0 B10R1.113 C=C(C)c1c[n+](ccn1)[O-] 271570a_100000694244_100009880115 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.113 C=C(C)c1cc(cnn1)C 271570a_100000694244_100000070100 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.113 C=C(C)c1cc(cnn1)O 271570a_100000694244_200010734679 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.113 C=C(C)c1cc(ncn1)C 271570a_100000694244_100000744208 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.113 C=C(C)c1cc(ncn1)F 271570a_100000694244_200009880791 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.113 C=C(C)c1cc(ncn1)N 271570a_100000694244_100000701291 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.113 C=C(C)c1cc(ncn1)O 271570a_100000694244_100000765262 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.113 C=C(C)c1cc[nH]c(=O)c1 271570a_100000694244_100009816521 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.113 C=C(C)c1cc[nH]c(=O)n1 271570a_100000694244_200000134032 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.113 C=C(C)c1ccc[n+](c1)[O-] 271570a_100000694244_100009815978 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.113 C=C(C)c1ccnc(c1)Br 271570a_100000694244_100009814637 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.113 C=C(C)c1ccnc(c1)Cl 271570a_100000694244_100000035001 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.113 C=C(C)c1ccnc(c1)F 271570a_100000694244_100009816116 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.113 C=C(C)c1ccnc(c1)N 271570a_100000694244_100000744379 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.113 C=C(C)c1ccnc(n1)C 271570a_100000694244_100000749937 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.113 C=C(C)c1ccnc(n1)N 271570a_100000694244_100009820717 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.113 C=C(C)c1cn[nH]c(=O)c1 271570a_100000694244_100010197405 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.113 C=C(C)c1cncc(c1)Br 271570a_100000694244_100000728054 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.113 C=C(C)c1cncc(c1)F 271570a_100000694244_100000744099 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.113 C=C(C)c1cncc(n1)C 271570a_100000694244_100009842155 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.113 C=C(C)c1cncc(n1)F 271570a_100000694244_200009863489 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.113 C=C(C)c1cncc(n1)N 271570a_100000694244_100009819714 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.113 C=C(C)c1cncc(n1)O 271570a_100000694244_100011269956 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.113 C=C(C)c1cnnc(c1)N 271570a_100000694244_100000130277 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.113 C=C(C)c1nccc(n1)C 271570a_100000694244_100011243806 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.113 C=C(C)c1nccc(n1)N 271570a_100000694244_100000757536 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.113 C=C(C)c1nccc(n1)O 271570a_100000694244_100011649813 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.113 CC(=O)N1CCC=C(C1)C 11a_100000725631_100015343762 [0,0,0,0,0,0|1,0,3]=4 53 B10R1.113 CC(=O)N1CCC=C(C1)C 1626a_100000725631_100015343762 [0,0,0,0,0,0|1,0,3]=4 54 B10R1.113 CC(=O)N1CCC=C(C1)C 240690a_100000725631_100015343762 [0,0,0,0,0,0|1,0,3]=4 55 B10R1.113 CC(=O)N1CCC=C(C1)C 527a_100000725631_100103153847 [0,0,0,0,0,0|1,0,3]=4 56 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,0,0,0,0,0|1,0,0]=1 58 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,0,0,0,0,0|0,0,0]=0 59 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,0,0,0,0,0|1,0,0]=1 60 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,0,0,0,0,0|1,0,0]=1 61 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,0,0,0,0,0|1,0,0]=1 62 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,0,0,0,0,0|1,0,0]=1 63 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,0,0,0,0,0|1,0,0]=1 64 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,0,0,0,0,0|2,0,0]=2 66 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,0,0,0,0,0|3,0,0]=3 67 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.113 CC(C)c1cc(ccn1)O 271570a_203496583355_100010237922 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [0,0,0,0,0,0|2,0,1]=3 70 B10R1.113 CC(C)c1cccc(n1)O 271570a_203496583355_100012318657 [0,0,0,0,0,0|3,0,1]=4 71 B10R1.113 CC(C)c1ccnc(c1)O 271570a_203496583355_100010237925 [0,0,0,0,0,0|3,0,1]=4 72 B10R1.113 CC(C)c1cncc(c1)O 271570a_203496583355_200010191214 [0,0,0,0,0,0|3,0,1]=4 73 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [0,0,0,0,0,0|2,0,1]=3 74 B10R1.113 CC(N)c1cccc(n1)O 271570a_203496583355_200010173468 [0,0,0,0,0,0|3,0,1]=4 75 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [0,0,0,0,0,0|2,0,2]=4 76 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [0,0,0,0,0,0|1,0,2]=3 77 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [0,0,0,0,0,0|2,0,2]=4 78 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [0,0,0,0,0,0|2,0,2]=4 79 B10R1.113 CN(C)c1cc(ccn1)F 27a_100102631434_100000764206 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.113 CN(C)c1cc(ccn1)O 271570a_203496583355_100012361627 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.113 CN(C)c1cc[nH]c(=O)c1 27a_100102631434_100000061649 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.113 CN(C)c1cccc(c1)Br 2230a_100000219648_200000210301 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.113 CN(C)c1cccc(c1)Br 269982a_100000219648_200000210301 [0,0,0,0,0,0|3,0,0]=3 84 B10R1.113 CN(C)c1cccc(c1)Br 34a_100000219648_200000210301 [0,0,0,0,0,0|3,0,0]=3 85 B10R1.113 CN(C)c1cccc(c1)Cl 2230a_100000220044_200000210301 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.113 CN(C)c1cccc(c1)Cl 269982a_100000220044_200000210301 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.113 CN(C)c1cccc(c1)Cl 34a_100000220044_200000210301 [0,0,0,0,0,0|3,0,0]=3 88 B10R1.113 CN(C)c1cccc(c1)F 2230a_100020633736_200000210301 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.113 CN(C)c1cccc(c1)F 269982a_100020633736_200000210301 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.113 CN(C)c1cccc(c1)F 34a_100020633736_200000210301 [0,0,0,0,0,0|3,0,0]=3 91 B10R1.113 CN(C)c1cccc(c1)I 2230a_100000221217_200000210301 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.113 CN(C)c1cccc(c1)I 269982a_100000221217_200000210301 [0,0,0,0,0,0|3,0,0]=3 93 B10R1.113 CN(C)c1cccc(c1)I 34a_100000221217_200000210301 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [0,0,0,0,0,0|3,0,0]=3 97 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.113 CN(C)c1cccc(n1)F 27a_100102631434_100009815982 [0,0,0,0,0,0|4,0,0]=4 99 B10R1.113 CN(C)c1cccc(n1)O 271570a_203496583355_100011960435 [0,0,0,0,0,0|4,0,0]=4 100 B10R1.113 CN(C)c1ccnc(c1)F 27a_100102631434_100009816116 [0,0,0,0,0,0|4,0,0]=4 101 B10R1.113 CN(C)c1ccnc(c1)O 271570a_203496583355_100000766659 [0,0,0,0,0,0|4,0,0]=4 102 B10R1.113 CN(C)c1cncc(c1)O 271570a_203496583355_100012350714 [0,0,0,0,0,0|4,0,0]=4 103 B10R1.113 CN([13CH3])c1cccc(c1)Br 2230a_100000219648_200025704644 [0,0,0,0,0,0|3,0,0]=3 104 B10R1.113 CN([13CH3])c1cccc(c1)Br 269982a_100000219648_200025704644 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.113 CN([13CH3])c1cccc(c1)Br 34a_100000219648_200025704644 [0,0,0,0,0,0|3,0,0]=3 106 B10R1.113 CN([13CH3])c1cccc(c1)Cl 2230a_100000220044_200025704644 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.113 CN([13CH3])c1cccc(c1)Cl 269982a_100000220044_200025704644 [0,0,0,0,0,0|3,0,0]=3 108 B10R1.113 CN([13CH3])c1cccc(c1)Cl 34a_100000220044_200025704644 [0,0,0,0,0,0|3,0,0]=3 109 B10R1.113 CN([13CH3])c1cccc(c1)F 2230a_100020633736_200025704644 [0,0,0,0,0,0|3,0,0]=3 110 B10R1.113 CN([13CH3])c1cccc(c1)F 269982a_100020633736_200025704644 [0,0,0,0,0,0|3,0,0]=3 111 B10R1.113 CN([13CH3])c1cccc(c1)F 34a_100020633736_200025704644 [0,0,0,0,0,0|3,0,0]=3 112 B10R1.113 CN([13CH3])c1cccc(c1)I 2230a_100000221217_200025704644 [0,0,0,0,0,0|3,0,0]=3 113 B10R1.113 CN([13CH3])c1cccc(c1)I 269982a_100000221217_200025704644 [0,0,0,0,0,0|3,0,0]=3 114 B10R1.113 CN([13CH3])c1cccc(c1)I 34a_100000221217_200025704644 [0,0,0,0,0,0|3,0,0]=3 115 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [0,0,0,0,0,0|3,0,0]=3 116 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [0,0,0,0,0,0|3,0,0]=3 117 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [0,0,0,0,0,0|3,0,0]=3 118 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [0,0,0,0,0,0|2,0,0]=2 119 B10R1.113 C[C@@H](N)c1cncc(c1)O 271570a_203496583355_100012350620 [0,0,0,0,0,0|3,0,1]=4 120 B10R1.113 Cc1cc(ccn1)N(C)C 27a_100102631434_100000758586 [0,0,0,0,0,0|3,0,0]=3 121 B10R1.113 Cc1cc(ncn1)N(C)C 27a_100102631434_100000744208 [0,0,0,0,0,0|4,0,0]=4 122 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,0,0,0,0,0|0,0,0]=0 123 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [0,0,0,0,0,0|2,0,0]=2 124 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [0,0,0,0,0,0|2,0,0]=2 125 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [0,0,0,0,0,0|2,0,0]=2 126 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [0,0,0,0,0,0|2,0,0]=2 127 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [0,0,0,0,0,0|2,0,0]=2 128 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [0,0,0,0,0,0|2,0,0]=2 129 B10R1.113 Cc1ccnc(n1)N(C)C 27a_100102631434_100000750684 [0,0,0,0,0,0|4,0,0]=4 130 B10R1.113 Cc1cncc(n1)N(C)C 27a_100102631434_100000754123 [0,0,0,0,0,0|4,0,0]=4 131 B10R1.113 Cc1cnnc(c1)N(C)C 27a_100102631434_100000070100 [0,0,0,0,0,0|4,0,0]=4 132 B10R1.113 Cc1nccc(n1)N(C)C 27a_100102631434_100000749937 [0,0,0,0,0,0|4,0,0]=4 133 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,0,0,0,0,0|3,0,0]=3 134 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [0,0,0,0,0,0|4,0,0]=4 135 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,0,0,0,0,0|2,0,0]=2 136 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,0,0,0,0,0|3,0,0]=3 137 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [0,0,0,0,0,0|3,0,0]=3 138 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [0,0,0,0,0,0|4,0,0]=4 139 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,0,0,0,0,0|3,0,0]=3 140 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [0,0,0,0,0,0|4,0,0]=4 141 B10R1.113 NC(=O)c1cnnc(c1)O 271570a_203496583355_100015785749 [0,0,0,0,0,0|4,0,0]=4 142 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [0,0,0,0,0,0|3,0,1]=4 143 B10R1.113 Oc1cccc(c1)C(F)F 271570a_203496583355_100009892619 [0,0,0,0,0,0|3,0,1]=4 144 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,0,0,0,0,0|1,0,0]=1 145 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,0,0,0,0,0|1,0,0]=1 146 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,0,0,0,0,0|1,0,0]=1 147 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,0,0,0,0,0|1,0,0]=1 148 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,0,0,0,0,0|1,0,0]=1 149 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [1,0,0,0,0,0|1,0,1]=3 150 B9R1.2 C=Cc1cc(ccn1)Cl 271570a_100011290941_100010167805 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.2 C=Cc1cc(ccn1)F 271570a_100011290941_100009817058 [1,0,0,0,0,0|2,0,1]=4 152 B9R1.2 C=Cc1cc(ccn1)N 271570a_100011290941_100009814236 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.2 C=Cc1cc(cnn1)C 271570a_100011290941_100000070100 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.2 C=Cc1cc(ncn1)C 271570a_100011290941_100000744208 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.2 C=Cc1cc[nH]c(=O)c1 271570a_100011290941_100009816521 [1,0,0,0,0,0|2,0,1]=4 157 B9R1.2 C=Cc1ccc[n+](c1)C 271570a_100011290941_100009996589 [1,0,0,0,0,0|1,0,1]=3 158 B9R1.2 C=Cc1ccc[n+](c1)[O-] 271570a_100011290941_100009815978 [1,0,0,0,0,0|2,0,1]=4 159 B9R1.2 C=Cc1cccc(=O)[nH]1 271570a_100011290941_100000761760 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [1,0,0,0,0,0|1,0,1]=3 161 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [1,0,0,0,0,0|0,0,1]=2 162 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [1,0,0,0,0,0|1,0,1]=3 163 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [1,0,0,0,0,0|1,0,1]=3 164 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [1,0,0,0,0,0|1,0,1]=3 165 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [1,0,0,0,0,0|1,0,1]=3 166 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [1,0,0,0,0,0|1,0,1]=3 167 B9R1.2 C=Cc1cccc(n1)Br 271570a_100011290941_100000684672 [1,0,0,0,0,0|2,0,1]=4 168 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [1,0,0,0,0,0|1,0,1]=3 169 B9R1.2 C=Cc1cccc(n1)F 271570a_100011290941_100009815982 [1,0,0,0,0,0|2,0,1]=4 170 B9R1.2 C=Cc1cccc(n1)N 271570a_100011290941_100000740741 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.2 C=Cc1ccnc(c1)Br 271570a_100011290941_100009814637 [1,0,0,0,0,0|2,0,1]=4 172 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [1,0,0,0,0,0|1,0,1]=3 173 B9R1.2 C=Cc1ccnc(c1)Cl 271570a_100011290941_100000035001 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.2 C=Cc1ccnc(c1)F 271570a_100011290941_100009816116 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.2 C=Cc1ccnc(c1)N 271570a_100011290941_100000744379 [1,0,0,0,0,0|2,0,1]=4 176 B9R1.2 C=Cc1ccnc(n1)C 271570a_100011290941_100000749937 [1,0,0,0,0,0|2,0,1]=4 177 B9R1.2 C=Cc1cncc(c1)Br 271570a_100011290941_100000728054 [1,0,0,0,0,0|2,0,1]=4 178 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [1,0,0,0,0,0|1,0,1]=3 179 B9R1.2 C=Cc1cncc(c1)Cl 271570a_100011290941_100000049639 [1,0,0,0,0,0|2,0,1]=4 180 B9R1.2 C=Cc1cncc(c1)F 271570a_100011290941_100000744099 [1,0,0,0,0,0|2,0,1]=4 181 B9R1.2 C=Cc1cncc(c1)N 271570a_100011290941_100000687067 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.2 C=Cc1cncc(n1)C 271570a_100011290941_100009842155 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.2 C=Cc1nccc(n1)C 271570a_100011290941_100011243806 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [1,0,0,0,0,0|2,0,1]=4 186 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [1,0,0,0,0,0|1,0,1]=3 187 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [1,0,0,0,0,0|2,0,1]=4 188 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [1,0,0,0,0,0|2,0,1]=4 189 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [1,0,0,0,0,0|2,0,1]=4 190 B9R1.2 CNc1cc(ccn1)F 27a_100102657272_100000764206 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.2 CNc1cc(ccn1)O 271570a_203496583355_100009819592 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.2 CNc1cc(cnn1)C 27a_100102657272_100000070100 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.2 CNc1cc(ncn1)C 27a_100102657272_100000744208 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.2 CNc1cc[nH]c(=O)c1 27a_100102657272_100000061649 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [1,0,0,0,0,0|2,0,0]=3 196 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [1,0,0,0,0,0|1,0,0]=2 197 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [1,0,0,0,0,0|1,0,0]=2 198 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [1,0,0,0,0,0|2,0,0]=3 199 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [1,0,0,0,0,0|2,0,0]=3 200 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [1,0,0,0,0,0|2,0,0]=3 201 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [1,0,0,0,0,0|2,0,0]=3 202 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [1,0,0,0,0,0|2,0,0]=3 203 B9R1.2 CNc1cccc(n1)F 27a_100102657272_100009815982 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.2 CNc1ccnc(c1)C 27a_100102657272_100000758586 [1,0,0,0,0,0|2,0,0]=3 206 B9R1.2 CNc1ccnc(c1)F 27a_100102657272_100009816116 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.2 CNc1ccnc(c1)O 271570a_203496583355_100009869472 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.2 CNc1ccnc(n1)C 27a_100102657272_100000749937 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.2 CNc1cncc(c1)O 271570a_203496583355_100012184536 [1,0,0,0,0,0|3,0,0]=4 210 B9R1.2 CNc1cncc(n1)C 27a_100102657272_100000754123 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.2 CNc1nccc(n1)C 27a_100102657272_100000750684 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [1,0,0,0,0,0|3,0,0]=4 213 B9R1.2 COc1cc(cnn1)C 34a_100000766097_200000210301 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.2 COc1ccc[n+](c1)[O-] 34a_100000039713_200000210301 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.2 COc1ccc[n+](c1)[O-] 7a_100000039713_200000210301 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [1,0,0,0,0,0|2,0,0]=3 220 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [1,0,0,0,0,0|1,0,0]=2 221 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [1,0,0,0,0,0|1,0,0]=2 222 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [1,0,0,0,0,0|2,0,0]=3 223 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [1,0,0,0,0,0|2,0,0]=3 224 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [1,0,0,0,0,0|2,0,0]=3 225 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [1,0,0,0,0,0|2,0,0]=3 226 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [1,0,0,0,0,0|2,0,0]=3 227 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [1,0,0,0,0,0|2,0,0]=3 229 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [1,0,0,0,0,0|2,0,0]=3 230 B9R1.2 COc1cccc(n1)F 34a_100011432558_200000210301 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [1,0,0,0,0,0|2,0,0]=3 233 B9R1.2 COc1ccnc(c1)Cl 34a_100000762945_200000210301 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.2 COc1ccnc(c1)F 34a_100000732698_200000210301 [1,0,0,0,0,0|3,0,0]=4 235 B9R1.2 COc1ccnc(c1)N 34a_100011834064_200000210301 [1,0,0,0,0,0|3,0,0]=4 236 B9R1.2 COc1ccnc(c1)O 271570a_203496583355_100011216251 [1,0,0,0,0,0|3,0,0]=4 237 B9R1.2 COc1cncc(c1)Br 34a_100000754920_200000210301 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.2 COc1cncc(c1)Br 7a_100000754920_200000210301 [1,0,0,0,0,0|3,0,0]=4 239 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [1,0,0,0,0,0|2,0,0]=3 240 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [1,0,0,0,0,0|2,0,0]=3 241 B9R1.2 COc1cncc(c1)Cl 7a_100000032511_200000210301 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.2 COc1cncc(c1)F 34a_100011830296_200000210301 [1,0,0,0,0,0|3,0,0]=4 243 B9R1.2 COc1cncc(c1)F 7a_100011830296_200000210301 [1,0,0,0,0,0|3,0,0]=4 244 B9R1.2 COc1cncc(c1)N 34a_100011997051_200000210301 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.2 COc1cncc(c1)O 271570a_203496583355_100000684773 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.2 CSc1cc(ccn1)C 62a_100000750283_200000210301 [1,0,0,0,0,0|2,0,0]=3 248 B9R1.2 CSc1cc(ccn1)C 62a_200000210301_100000750283 [1,0,0,0,0,0|2,0,0]=3 249 B9R1.2 CSc1cc(ccn1)Cl 62a_100010167805_200000210301 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.2 CSc1cc(ccn1)Cl 62a_200000210301_100010167805 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.2 CSc1cc(ccn1)F 62a_100000764206_200000210301 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.2 CSc1cc(ccn1)F 62a_200000210301_100000764206 [1,0,0,0,0,0|3,0,0]=4 253 B9R1.2 CSc1cc(ccn1)N 62a_100009814236_200000210301 [1,0,0,0,0,0|3,0,0]=4 254 B9R1.2 CSc1cc(ccn1)N 62a_200000210301_100009814236 [1,0,0,0,0,0|3,0,0]=4 255 B9R1.2 CSc1cc(ccn1)O 62a_200000210301_100000762945 [1,0,0,0,0,0|3,0,0]=4 256 B9R1.2 CSc1cc(cnn1)C 62a_100000070100_200000210301 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.2 CSc1cc(cnn1)C 62a_200000210301_100000070100 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.2 CSc1cc(ncn1)C 62a_100000744208_200000210301 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.2 CSc1cc(ncn1)C 62a_200000210301_100000744208 [1,0,0,0,0,0|3,0,0]=4 260 B9R1.2 CSc1cc[nH]c(=O)c1 62a_100009816521_200000210301 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.2 CSc1cc[nH]c(=O)c1 62a_200000210301_100009816521 [1,0,0,0,0,0|3,0,0]=4 262 B9R1.2 CSc1ccc[n+](c1)C 62a_100009996589_200000210301 [1,0,0,0,0,0|2,0,0]=3 263 B9R1.2 CSc1ccc[n+](c1)C 62a_200000210301_100009996589 [1,0,0,0,0,0|2,0,0]=3 264 B9R1.2 CSc1ccc[n+](c1)[O-] 62a_200000210301_100009815978 [1,0,0,0,0,0|3,0,0]=4 265 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [1,0,0,0,0,0|3,0,0]=4 266 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [1,0,0,0,0,0|2,0,0]=3 267 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [1,0,0,0,0,0|2,0,0]=3 268 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [1,0,0,0,0,0|1,0,0]=2 269 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [1,0,0,0,0,0|1,0,0]=2 270 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [1,0,0,0,0,0|2,0,0]=3 271 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [1,0,0,0,0,0|2,0,0]=3 272 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [1,0,0,0,0,0|2,0,0]=3 273 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [1,0,0,0,0,0|2,0,0]=3 274 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [1,0,0,0,0,0|2,0,0]=3 275 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [1,0,0,0,0,0|2,0,0]=3 276 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [1,0,0,0,0,0|2,0,0]=3 277 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [1,0,0,0,0,0|2,0,0]=3 278 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [1,0,0,0,0,0|2,0,0]=3 279 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [1,0,0,0,0,0|2,0,0]=3 280 B9R1.2 CSc1cccc(n1)Br 62a_100000684672_200000210301 [1,0,0,0,0,0|3,0,0]=4 281 B9R1.2 CSc1cccc(n1)Br 62a_200000210301_100000684672 [1,0,0,0,0,0|3,0,0]=4 282 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [1,0,0,0,0,0|2,0,0]=3 283 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [1,0,0,0,0,0|2,0,0]=3 284 B9R1.2 CSc1cccc(n1)Cl 62a_100000051397_200000210301 [1,0,0,0,0,0|3,0,0]=4 285 B9R1.2 CSc1cccc(n1)Cl 62a_200000210301_100000051397 [1,0,0,0,0,0|3,0,0]=4 286 B9R1.2 CSc1cccc(n1)F 62a_100009815982_200000210301 [1,0,0,0,0,0|3,0,0]=4 287 B9R1.2 CSc1cccc(n1)F 62a_200000210301_100009815982 [1,0,0,0,0,0|3,0,0]=4 288 B9R1.2 CSc1cccc(n1)N 62a_100000740741_200000210301 [1,0,0,0,0,0|3,0,0]=4 289 B9R1.2 CSc1cccc(n1)N 62a_200000210301_100000740741 [1,0,0,0,0,0|3,0,0]=4 290 B9R1.2 CSc1cccc(n1)O 271570a_203496583355_100011960944 [1,0,0,0,0,0|3,0,0]=4 291 B9R1.2 CSc1ccnc(c1)Br 62a_100009814637_200000210301 [1,0,0,0,0,0|3,0,0]=4 292 B9R1.2 CSc1ccnc(c1)Br 62a_200000210301_100009814637 [1,0,0,0,0,0|3,0,0]=4 293 B9R1.2 CSc1ccnc(c1)C 62a_100000758586_200000210301 [1,0,0,0,0,0|2,0,0]=3 294 B9R1.2 CSc1ccnc(c1)C 62a_200000210301_100000758586 [1,0,0,0,0,0|2,0,0]=3 295 B9R1.2 CSc1ccnc(c1)Cl 62a_100000035001_200000210301 [1,0,0,0,0,0|3,0,0]=4 296 B9R1.2 CSc1ccnc(c1)Cl 62a_200000210301_100000035001 [1,0,0,0,0,0|3,0,0]=4 297 B9R1.2 CSc1ccnc(c1)F 62a_100009816116_200000210301 [1,0,0,0,0,0|3,0,0]=4 298 B9R1.2 CSc1ccnc(c1)F 62a_200000210301_100009816116 [1,0,0,0,0,0|3,0,0]=4 299 B9R1.2 CSc1ccnc(c1)N 62a_100000049665_200000210301 [1,0,0,0,0,0|3,0,0]=4 300 B9R1.2 CSc1ccnc(c1)N 62a_200000210301_100000049665 [1,0,0,0,0,0|3,0,0]=4 301 B9R1.2 CSc1ccnc(c1)O 271570a_203496583355_100010883326 [1,0,0,0,0,0|3,0,0]=4 302 B9R1.2 CSc1ccnc(n1)C 62a_100000749937_200000210301 [1,0,0,0,0,0|3,0,0]=4 303 B9R1.2 CSc1ccnc(n1)C 62a_200000210301_100000749937 [1,0,0,0,0,0|3,0,0]=4 304 B9R1.2 CSc1cncc(c1)Br 62a_100000728054_200000210301 [1,0,0,0,0,0|3,0,0]=4 305 B9R1.2 CSc1cncc(c1)Br 62a_200000210301_100000728054 [1,0,0,0,0,0|3,0,0]=4 306 B9R1.2 CSc1cncc(c1)C 62a_100000760492_200000210301 [1,0,0,0,0,0|2,0,0]=3 307 B9R1.2 CSc1cncc(c1)C 62a_200000210301_100000760492 [1,0,0,0,0,0|2,0,0]=3 308 B9R1.2 CSc1cncc(c1)Cl 62a_100000049639_200000210301 [1,0,0,0,0,0|3,0,0]=4 309 B9R1.2 CSc1cncc(c1)Cl 62a_200000210301_100000049639 [1,0,0,0,0,0|3,0,0]=4 310 B9R1.2 CSc1cncc(c1)F 62a_100000744099_200000210301 [1,0,0,0,0,0|3,0,0]=4 311 B9R1.2 CSc1cncc(c1)F 62a_200000210301_100000744099 [1,0,0,0,0,0|3,0,0]=4 312 B9R1.2 CSc1cncc(c1)N 62a_100000687067_200000210301 [1,0,0,0,0,0|3,0,0]=4 313 B9R1.2 CSc1cncc(c1)N 62a_200000210301_100000687067 [1,0,0,0,0,0|3,0,0]=4 314 B9R1.2 CSc1cncc(c1)O 271570a_203496583355_100009816972 [1,0,0,0,0,0|3,0,0]=4 315 B9R1.2 CSc1cncc(c1)O 62a_100000754920_200000210301 [1,0,0,0,0,0|3,0,0]=4 316 B9R1.2 CSc1cncc(c1)O 62a_200000210301_100000754920 [1,0,0,0,0,0|3,0,0]=4 317 B9R1.2 CSc1cncc(n1)C 62a_100000754123_200000210301 [1,0,0,0,0,0|3,0,0]=4 318 B9R1.2 CSc1cncc(n1)C 62a_200000210301_100000754123 [1,0,0,0,0,0|3,0,0]=4 319 B9R1.2 CSc1nccc(n1)C 62a_100011243806_200000210301 [1,0,0,0,0,0|3,0,0]=4 320 B9R1.2 CSc1nccc(n1)C 62a_200000210301_100011243806 [1,0,0,0,0,0|3,0,0]=4 321 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_100009996589_200025704644 [1,0,0,0,0,0|2,0,0]=3 322 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_200025704644_100009996589 [1,0,0,0,0,0|2,0,0]=3 323 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [1,0,0,0,0,0|2,0,0]=3 324 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_100000758586_200025704644 [1,0,0,0,0,0|2,0,0]=3 325 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_200025704644_100000758586 [1,0,0,0,0,0|2,0,0]=3 326 B9R1.2 Cc1cc(ncn1)S[13CH3] 62a_100000744208_200025704644 [1,0,0,0,0,0|3,0,0]=4 327 B9R1.2 Cc1cc(ncn1)S[13CH3] 62a_200025704644_100000744208 [1,0,0,0,0,0|3,0,0]=4 328 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [1,0,0,0,0,0|1,0,0]=2 329 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [1,0,0,0,0,0|1,0,0]=2 330 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [1,0,0,0,0,0|1,0,0]=2 331 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [1,0,0,0,0,0|1,0,0]=2 332 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [1,0,0,0,0,0|1,0,0]=2 333 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [1,0,0,0,0,0|1,0,0]=2 334 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [1,0,0,0,0,0|2,0,0]=3 335 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [1,0,0,0,0,0|2,0,0]=3 336 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_100000750283_200025704644 [1,0,0,0,0,0|2,0,0]=3 337 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_200025704644_100000750283 [1,0,0,0,0,0|2,0,0]=3 338 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_100011243806_200025704644 [1,0,0,0,0,0|3,0,0]=4 339 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_200025704644_100011243806 [1,0,0,0,0,0|3,0,0]=4 340 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [1,0,0,0,0,0|2,0,0]=3 341 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [1,0,0,0,0,0|2,0,0]=3 342 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_100000760492_200025704644 [1,0,0,0,0,0|2,0,0]=3 343 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_200025704644_100000760492 [1,0,0,0,0,0|2,0,0]=3 344 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_100000754123_200025704644 [1,0,0,0,0,0|3,0,0]=4 345 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_200025704644_100000754123 [1,0,0,0,0,0|3,0,0]=4 346 B9R1.2 Cc1cnnc(c1)O[13CH3] 34a_100000766097_200025704644 [1,0,0,0,0,0|3,0,0]=4 347 B9R1.2 Cc1cnnc(c1)S[13CH3] 62a_100000070100_200025704644 [1,0,0,0,0,0|3,0,0]=4 348 B9R1.2 Cc1cnnc(c1)S[13CH3] 62a_200025704644_100000070100 [1,0,0,0,0,0|3,0,0]=4 349 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_100000749937_200025704644 [1,0,0,0,0,0|3,0,0]=4 350 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_200025704644_100000749937 [1,0,0,0,0,0|3,0,0]=4 351 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [1,0,0,0,0,0|2,0,1]=4 352 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [1,0,0,0,0,0|2,0,1]=4 353 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [1,0,0,0,0,0|3,0,0]=4 354 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [1,0,0,0,0,0|2,0,0]=3 355 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [1,0,0,0,0,0|1,0,0]=2 356 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [1,0,0,0,0,0|2,0,0]=3 357 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [1,0,0,0,0,0|2,0,0]=3 358 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [1,0,0,0,0,0|2,0,0]=3 359 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [1,0,0,0,0,0|1,0,2]=4 360 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [1,0,0,0,0,0|2,0,1]=4 361 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [1,0,0,0,0,0|2,0,0]=3 362 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [1,0,0,0,0,0|2,0,0]=3 363 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [1,0,0,0,0,0|2,0,0]=3 364 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [1,0,0,0,0,0|2,0,0]=3 365 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [1,0,0,0,0,0|2,0,0]=3 366 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [1,0,0,0,0,0|3,0,0]=4 367 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 34a_100000039713_200025704644 [1,0,0,0,0,0|3,0,0]=4 368 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 7a_100000039713_200025704644 [1,0,0,0,0,0|3,0,0]=4 369 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [1,0,0,0,0,0|3,0,0]=4 370 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [1,0,0,0,0,0|2,0,0]=3 371 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [1,0,0,0,0,0|2,0,0]=3 372 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [1,0,0,0,0,0|2,0,0]=3 373 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [1,0,0,0,0,0|2,0,0]=3 374 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [1,0,0,0,0,0|2,0,0]=3 375 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [1,0,0,0,0,0|2,0,0]=3 376 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [1,0,0,0,0,0|2,0,0]=3 377 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [1,0,0,0,0,0|2,0,0]=3 378 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [1,0,0,0,0,0|2,0,0]=3 379 B9R1.2 [13CH3]Oc1cccc(n1)F 34a_100011432558_200025704644 [1,0,0,0,0,0|3,0,0]=4 380 B9R1.2 [13CH3]Oc1ccnc(c1)Cl 34a_100000762945_200025704644 [1,0,0,0,0,0|3,0,0]=4 381 B9R1.2 [13CH3]Oc1ccnc(c1)F 34a_100000732698_200025704644 [1,0,0,0,0,0|3,0,0]=4 382 B9R1.2 [13CH3]Oc1ccnc(c1)N 34a_100011834064_200025704644 [1,0,0,0,0,0|3,0,0]=4 383 B9R1.2 [13CH3]Oc1cncc(c1)Br 34a_100000754920_200025704644 [1,0,0,0,0,0|3,0,0]=4 384 B9R1.2 [13CH3]Oc1cncc(c1)Br 7a_100000754920_200025704644 [1,0,0,0,0,0|3,0,0]=4 385 B9R1.2 [13CH3]Oc1cncc(c1)Cl 7a_100000032511_200025704644 [1,0,0,0,0,0|3,0,0]=4 386 B9R1.2 [13CH3]Oc1cncc(c1)F 34a_100011830296_200025704644 [1,0,0,0,0,0|3,0,0]=4 387 B9R1.2 [13CH3]Oc1cncc(c1)F 7a_100011830296_200025704644 [1,0,0,0,0,0|3,0,0]=4 388 B9R1.2 [13CH3]Oc1cncc(c1)N 34a_100011997051_200025704644 [1,0,0,0,0,0|3,0,0]=4 389 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [1,0,0,0,0,0|3,0,0]=4 390 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_100010167805_200025704644 [1,0,0,0,0,0|3,0,0]=4 391 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_200025704644_100010167805 [1,0,0,0,0,0|3,0,0]=4 392 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_100000764206_200025704644 [1,0,0,0,0,0|3,0,0]=4 393 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_200025704644_100000764206 [1,0,0,0,0,0|3,0,0]=4 394 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_100009814236_200025704644 [1,0,0,0,0,0|3,0,0]=4 395 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_200025704644_100009814236 [1,0,0,0,0,0|3,0,0]=4 396 B9R1.2 [13CH3]Sc1cc(ccn1)O 62a_200025704644_100000762945 [1,0,0,0,0,0|3,0,0]=4 397 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_100009816521_200025704644 [1,0,0,0,0,0|3,0,0]=4 398 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_200025704644_100009816521 [1,0,0,0,0,0|3,0,0]=4 399 B9R1.2 [13CH3]Sc1ccc[n+](c1)[O-] 62a_200025704644_100009815978 [1,0,0,0,0,0|3,0,0]=4 400 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [1,0,0,0,0,0|3,0,0]=4 401 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [1,0,0,0,0,0|2,0,0]=3 402 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [1,0,0,0,0,0|2,0,0]=3 403 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [1,0,0,0,0,0|2,0,0]=3 404 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [1,0,0,0,0,0|2,0,0]=3 405 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [1,0,0,0,0,0|2,0,0]=3 406 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [1,0,0,0,0,0|2,0,0]=3 407 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [1,0,0,0,0,0|2,0,0]=3 408 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [1,0,0,0,0,0|2,0,0]=3 409 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [1,0,0,0,0,0|2,0,0]=3 410 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [1,0,0,0,0,0|2,0,0]=3 411 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [1,0,0,0,0,0|2,0,0]=3 412 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_100000684672_200025704644 [1,0,0,0,0,0|3,0,0]=4 413 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_200025704644_100000684672 [1,0,0,0,0,0|3,0,0]=4 414 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_100000051397_200025704644 [1,0,0,0,0,0|3,0,0]=4 415 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_200025704644_100000051397 [1,0,0,0,0,0|3,0,0]=4 416 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_100009815982_200025704644 [1,0,0,0,0,0|3,0,0]=4 417 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_200025704644_100009815982 [1,0,0,0,0,0|3,0,0]=4 418 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_100000740741_200025704644 [1,0,0,0,0,0|3,0,0]=4 419 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_200025704644_100000740741 [1,0,0,0,0,0|3,0,0]=4 420 B9R1.2 [13CH3]Sc1ccnc(c1)Br 62a_100009814637_200025704644 [1,0,0,0,0,0|3,0,0]=4 421 B9R1.2 [13CH3]Sc1ccnc(c1)Br 62a_200025704644_100009814637 [1,0,0,0,0,0|3,0,0]=4 422 B9R1.2 [13CH3]Sc1ccnc(c1)Cl 62a_100000035001_200025704644 [1,0,0,0,0,0|3,0,0]=4 423 B9R1.2 [13CH3]Sc1ccnc(c1)Cl 62a_200025704644_100000035001 [1,0,0,0,0,0|3,0,0]=4 424 B9R1.2 [13CH3]Sc1ccnc(c1)F 62a_100009816116_200025704644 [1,0,0,0,0,0|3,0,0]=4 425 B9R1.2 [13CH3]Sc1ccnc(c1)F 62a_200025704644_100009816116 [1,0,0,0,0,0|3,0,0]=4 426 B9R1.2 [13CH3]Sc1ccnc(c1)N 62a_100000049665_200025704644 [1,0,0,0,0,0|3,0,0]=4 427 B9R1.2 [13CH3]Sc1ccnc(c1)N 62a_200025704644_100000049665 [1,0,0,0,0,0|3,0,0]=4 428 B9R1.2 [13CH3]Sc1cncc(c1)Br 62a_100000728054_200025704644 [1,0,0,0,0,0|3,0,0]=4 429 B9R1.2 [13CH3]Sc1cncc(c1)Br 62a_200025704644_100000728054 [1,0,0,0,0,0|3,0,0]=4 430 B9R1.2 [13CH3]Sc1cncc(c1)Cl 62a_100000049639_200025704644 [1,0,0,0,0,0|3,0,0]=4 431 B9R1.2 [13CH3]Sc1cncc(c1)Cl 62a_200025704644_100000049639 [1,0,0,0,0,0|3,0,0]=4 432 B9R1.2 [13CH3]Sc1cncc(c1)F 62a_100000744099_200025704644 [1,0,0,0,0,0|3,0,0]=4 433 B9R1.2 [13CH3]Sc1cncc(c1)F 62a_200025704644_100000744099 [1,0,0,0,0,0|3,0,0]=4 434 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_100000687067_200025704644 [1,0,0,0,0,0|3,0,0]=4 435 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_200025704644_100000687067 [1,0,0,0,0,0|3,0,0]=4 436 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_100000754920_200025704644 [1,0,0,0,0,0|3,0,0]=4 437 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_200025704644_100000754920 [1,0,0,0,0,0|3,0,0]=4 438 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|1,0,0]=2 439 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,0,0|2,0,0]=3 440 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,0|2,0,0]=3 441 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [1,0,0,0,0,0|3,0,0]=4 442 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [1,0,0,0,0,0|2,0,0]=3 443 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [1,0,0,0,0,0|3,0,0]=4 444 B9R1.6 C=C(C)c1ccnnc1 271570a_100000694244_100000732662 [1,0,0,0,0,0|3,0,0]=4 445 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [1,0,0,0,0,0|3,0,0]=4 446 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [1,0,0,0,0,0|3,0,0]=4 447 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [1,0,0,0,0,0|3,0,0]=4 448 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|0,0,0]=1 449 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,0,0|2,0,0]=3 450 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,0,0|2,0,0]=3 451 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,0,0|2,0,0]=3 452 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,0,0|2,0,0]=3 453 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,0,0|2,0,0]=3 454 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,0,0|2,0,0]=3 455 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|0,0,0]=1 456 B11R1.21 C=C(C)c1c[nH]c(=O)c(c1)Br 271570a_100000694244_100010125443 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.21 C=C(C)c1c[nH]c(=O)c(c1)F 271570a_100000694244_100000723523 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.21 C=C(C)c1c[nH]c(=O)c(c1)O 271570a_100000694244_100009814561 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.21 C=C(C)c1c[nH]c(=O)c(n1)C 271570a_100000694244_100010363809 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.21 C=C(C)c1cc(c(=O)[nH]n1)C 271570a_100000694244_100012187101 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.21 C=C(C)c1cc(c(cn1)Br)C 271570a_100000694244_100012356354 [0,1,0,0,0,0|2,0,0]=3 462 B11R1.21 C=C(C)c1cc(c(cn1)C)C 271570a_100000694244_100009850809 [0,1,0,0,0,0|2,0,0]=3 463 B11R1.21 C=C(C)c1cc(c(cn1)C)F 271570a_100000694244_100009841206 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.21 C=C(C)c1cc(c(cn1)C)N 271570a_100000694244_100000690170 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.21 C=C(C)c1cc(c(cn1)C)O 271570a_100000694244_100000704368 [0,1,0,0,0,0|3,0,0]=4 466 B11R1.21 C=C(C)c1cc(c(cn1)F)C 271570a_100000694244_100009818257 [0,1,0,0,0,0|2,0,0]=3 467 B11R1.21 C=C(C)c1cc(c(cn1)F)N 271570a_100000694244_100000126464 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.21 C=C(C)c1cc(c(cn1)F)O 271570a_100000694244_100009854642 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.21 C=C(C)c1cc(c(cn1)N)C 271570a_100000694244_100000765520 [0,1,0,0,0,0|2,0,0]=3 470 B11R1.21 C=C(C)c1cc(c(cn1)N)N 271570a_100000694244_100000067514 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.21 C=C(C)c1cc(c(cn1)O)C 271570a_100000694244_100000692680 [0,1,0,0,0,0|2,0,0]=3 472 B11R1.21 C=C(C)c1cc(c(cn1)O)N 271570a_100000694244_100009819941 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.21 C=C(C)c1cc(c(nn1)N)C 271570a_100000694244_100153394926 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.21 C=C(C)c1ccc(=O)n(c1)C 271570a_100000694244_100011245003 [0,1,0,0,0,0|2,0,0]=3 475 B11R1.21 C=C(C)c1ccc(=O)n(n1)C 271570a_100000694244_100009820752 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.21 C=C(C)c1ccc([n+](c1)[O-])C 271570a_100000694244_100000703231 [0,1,0,0,0,0|3,0,0]=4 477 B11R1.21 C=C(C)c1ccc(c(=S)[nH]1)N 271570a_100000694244_100116329207 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.21 C=C(C)c1ccc(c(c1)Br)Br 271570a_100000694244_100012356285 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.21 C=C(C)c1ccc(c(c1)Br)C 271570a_100000694244_100011847877 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.21 C=C(C)c1ccc(c(c1)Br)Cl 271570a_100000694244_100012353702 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.21 C=C(C)c1ccc(c(c1)Br)F 271570a_100000694244_100012047266 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.21 C=C(C)c1ccc(c(c1)Br)N 271570a_100000694244_100000750455 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.21 C=C(C)c1ccc(c(c1)C)Br 271570a_100000694244_100009813585 [0,1,0,0,0,0|1,0,0]=2 485 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [0,1,0,0,0,0|1,0,0]=2 486 B11R1.21 C=C(C)c1ccc(c(c1)C)Cl 271570a_100000694244_100000049509 [0,1,0,0,0,0|1,0,0]=2 487 B11R1.21 C=C(C)c1ccc(c(c1)C)F 271570a_100000694244_100011218330 [0,1,0,0,0,0|1,0,0]=2 488 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [0,1,0,0,0,0|1,0,0]=2 489 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [0,1,0,0,0,0|1,0,0]=2 490 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Br 271570a_100000694244_100012047281 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.21 C=C(C)c1ccc(c(c1)Cl)C 271570a_100000694244_100011216363 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Cl 271570a_100000694244_100011214914 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.21 C=C(C)c1ccc(c(c1)Cl)F 271570a_100000694244_100011215976 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.21 C=C(C)c1ccc(c(c1)Cl)N 271570a_100000694244_100011218065 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.21 C=C(C)c1ccc(c(c1)F)Br 271570a_100000694244_100000685389 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.21 C=C(C)c1ccc(c(c1)F)C 271570a_100000694244_100000720648 [0,1,0,0,0,0|2,0,0]=3 498 B11R1.21 C=C(C)c1ccc(c(c1)F)Cl 271570a_100000694244_100011216805 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.21 C=C(C)c1ccc(c(c1)F)F 271570a_100000694244_100000750028 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.21 C=C(C)c1ccc(c(c1)F)N 271570a_100000694244_100011215594 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.21 C=C(C)c1ccc(c(c1)N)Br 271570a_100000694244_100000750456 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.21 C=C(C)c1ccc(c(c1)N)C 271570a_100000694244_100000761890 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.21 C=C(C)c1ccc(c(c1)N)Cl 271570a_100000694244_200000761891 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.21 C=C(C)c1ccc(c(c1)N)F 271570a_100000694244_100000740924 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.21 C=C(C)c1ccc(c(c1)N)N 271570a_100000694244_100000741789 [0,1,0,0,0,0|2,0,0]=3 507 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [0,1,0,0,0,0|2,0,0]=3 508 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [0,1,0,0,0,0|2,0,0]=3 510 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [0,1,0,0,0,0|2,0,0]=3 511 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [0,1,0,0,0,0|2,0,0]=3 512 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [0,1,0,0,0,0|2,0,0]=3 514 B11R1.21 C=C(C)c1ccc(c(n1)Br)O 271570a_100000694244_100000725334 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.21 C=C(C)c1ccc(c(n1)C)Br 271570a_100000694244_100012360386 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.21 C=C(C)c1ccc(c(n1)C)C 271570a_100000694244_100000103781 [0,1,0,0,0,0|2,0,0]=3 517 B11R1.21 C=C(C)c1ccc(c(n1)C)F 271570a_100000694244_100009814307 [0,1,0,0,0,0|2,0,0]=3 518 B11R1.21 C=C(C)c1ccc(c(n1)C)N 271570a_100000694244_100000760127 [0,1,0,0,0,0|2,0,0]=3 519 B11R1.21 C=C(C)c1ccc(c(n1)C)O 271570a_100000694244_100010233687 [0,1,0,0,0,0|2,0,0]=3 520 B11R1.21 C=C(C)c1ccc(c(n1)Cl)N 271570a_100000694244_200010233646 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.21 C=C(C)c1ccc(c(n1)Cl)O 271570a_100000694244_100000721234 [0,1,0,0,0,0|3,0,0]=4 522 B11R1.21 C=C(C)c1ccc(c(n1)F)Br 271570a_100000694244_100010134343 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.21 C=C(C)c1ccc(c(n1)F)N 271570a_100000694244_100009856439 [0,1,0,0,0,0|3,0,0]=4 524 B11R1.21 C=C(C)c1ccc(c(n1)F)O 271570a_100000694244_100009819667 [0,1,0,0,0,0|3,0,0]=4 525 B11R1.21 C=C(C)c1ccc(c(n1)N)C 271570a_100000694244_100009857032 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.21 C=C(C)c1ccc(c(n1)N)F 271570a_100000694244_100016091773 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.21 C=C(C)c1ccc(c(n1)N)N 271570a_100000694244_100000747239 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.21 C=C(C)c1ccc(c(n1)N)O 271570a_100000694244_100000685527 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.21 C=C(C)c1ccc(c(n1)O)F 271570a_100000694244_100010729010 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.21 C=C(C)c1ccc(c(n1)O)N 271570a_100000694244_100000718904 [0,1,0,0,0,0|3,0,0]=4 531 B11R1.21 C=C(C)c1ccn(c(=O)c1)C 271570a_100000694244_100009820031 [0,1,0,0,0,0|3,0,0]=4 532 B11R1.21 C=C(C)c1cn(c(=O)cn1)C 271570a_100000694244_100009843036 [0,1,0,0,0,0|3,0,0]=4 533 B11R1.21 C=C(C)c1cnc(=O)n(c1)C 271570a_100000694244_100009819886 [0,1,0,0,0,0|3,0,0]=4 534 B11R1.21 C=C(C)c1cnc(c(c1)Br)Cl 271570a_100000694244_100010172733 [0,1,0,0,0,0|3,0,0]=4 535 B11R1.21 C=C(C)c1cnc(c(c1)Br)N 271570a_100000694244_100012353989 [0,1,0,0,0,0|3,0,0]=4 536 B11R1.21 C=C(C)c1cnc(c(c1)C)Br 271570a_100000694244_100009816107 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.21 C=C(C)c1cnc(c(c1)C)C 271570a_100000694244_100000697892 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.21 C=C(C)c1cnc(c(c1)C)Cl 271570a_100000694244_100009922867 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.21 C=C(C)c1cnc(c(c1)C)F 271570a_100000694244_100000709442 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.21 C=C(C)c1cnc(c(c1)C)N 271570a_100000694244_100000186686 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.21 C=C(C)c1cnc(c(c1)C)O 271570a_100000694244_100000685391 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.21 C=C(C)c1cnc(c(c1)Cl)N 271570a_100000694244_100012356299 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.21 C=C(C)c1cnc(c(c1)Cl)O 271570a_100000694244_100010238531 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.21 C=C(C)c1cnc(c(c1)F)C 271570a_100000694244_100009845756 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.21 C=C(C)c1cnc(c(c1)F)F 271570a_100000694244_100009817721 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.21 C=C(C)c1cnc(c(c1)F)N 271570a_100000694244_100000693161 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.21 C=C(C)c1cnc(c(c1)N)C 271570a_100000694244_100011999542 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.21 C=C(C)c1cnc(c(c1)N)Cl 271570a_100000694244_100009828400 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.21 C=C(C)c1cnc(c(c1)N)F 271570a_100000694244_100009816798 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.21 C=C(C)c1cnc(c(c1)N)N 271570a_100000694244_100000184470 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.21 C=C(C)c1cnc(c(c1)N)O 271570a_100000694244_100000743729 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.21 C=C(C)c1cnc(c(c1)O)C 271570a_100000694244_100009864810 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.21 C=C(C)c1cnc(c(c1)O)F 271570a_100000694244_100009819871 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.21 C=C(C)c1cnc(c(c1)O)N 271570a_100000694244_100009819042 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.21 C=C(C)c1cnc(c(n1)C)C 271570a_100000694244_100009878948 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.21 C=C(C)c1cnc(c(n1)C)N 271570a_100000694244_100009818571 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.21 C=C(C)c1ncc(c(n1)C)Cl 271570a_100000694244_100010174973 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.21 C=C(C)c1ncc(c(n1)C)F 271570a_100000694244_100015641512 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.21 C=C(C)c1ncc(c(n1)C)N 271570a_100000694244_100000123670 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [0,1,0,0,0,0|1,0,0]=2 561 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [0,1,0,0,0,0|1,0,0]=2 562 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,1,0,0,0,0|1,0,0]=2 563 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,1,0,0,0,0|1,0,0]=2 564 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [0,1,0,0,0,0|1,0,0]=2 565 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [0,1,0,0,0,0|1,0,0]=2 566 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,1,0,0,0,0|1,0,0]=2 567 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,1,0,0,0,0|1,0,0]=2 568 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [0,1,0,0,0,0|0,0,0]=1 569 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,1,0,0,0,0|0,0,0]=1 570 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,1,0,0,0,0|0,0,0]=1 571 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [0,1,0,0,0,0|0,0,0]=1 572 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [0,1,0,0,0,0|0,0,0]=1 573 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,1,0,0,0,0|0,0,0]=1 574 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,1,0,0,0,0|0,0,0]=1 575 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,1,0,0,0,0|1,0,0]=2 576 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,1,0,0,0,0|1,0,0]=2 577 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,1,0,0,0,0|1,0,0]=2 578 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,1,0,0,0,0|1,0,0]=2 579 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,1,0,0,0,0|1,0,0]=2 580 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,1,0,0,0,0|1,0,0]=2 581 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [0,1,0,0,0,0|1,0,0]=2 582 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,1,0,0,0,0|1,0,0]=2 583 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,1,0,0,0,0|1,0,0]=2 584 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [0,1,0,0,0,0|1,0,0]=2 585 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [0,1,0,0,0,0|1,0,0]=2 586 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,1,0,0,0,0|1,0,0]=2 587 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,1,0,0,0,0|1,0,0]=2 588 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [0,1,0,0,0,0|1,0,0]=2 589 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,1,0,0,0,0|1,0,0]=2 590 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,1,0,0,0,0|1,0,0]=2 591 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [0,1,0,0,0,0|1,0,0]=2 592 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [0,1,0,0,0,0|1,0,0]=2 593 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,1,0,0,0,0|1,0,0]=2 594 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,1,0,0,0,0|1,0,0]=2 595 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,1,0,0,0,0|1,0,0]=2 596 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,1,0,0,0,0|1,0,0]=2 597 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,1,0,0,0,0|1,0,0]=2 598 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,1,0,0,0,0|1,0,0]=2 599 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,1,0,0,0,0|1,0,0]=2 600 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,1,0,0,0,0|1,0,0]=2 601 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,1,0,0,0,0|1,0,0]=2 602 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,1,0,0,0,0|1,0,0]=2 603 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,1,0,0,0,0|1,0,0]=2 604 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,1,0,0,0,0|1,0,0]=2 605 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,1,0,0,0,0|1,0,0]=2 606 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [0,1,0,0,0,0|1,0,0]=2 607 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [0,1,0,0,0,0|2,0,0]=3 608 B11R1.21 CC(C)c1ccc(c(c1)Br)O 271570a_203496583355_200010212211 [0,1,0,0,0,0|2,0,1]=4 609 B11R1.21 CC(C)c1ccc(c(c1)O)N 271570a_203496583355_100011218581 [0,1,0,0,0,0|2,0,1]=4 610 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [0,1,0,0,0,0|1,0,2]=4 611 B11R1.21 CN(C)c1ccc(c(c1)Cl)Cl 2230a_100000219944_200000210301 [0,1,0,0,0,0|3,0,0]=4 612 B11R1.21 CN(C)c1ccc(c(c1)Cl)Cl 269982a_100000219944_200000210301 [0,1,0,0,0,0|3,0,0]=4 613 B11R1.21 CN(C)c1ccc(c(c1)Cl)Cl 34a_100000219944_200000210301 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 2230a_100000697440_200000210301 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 269982a_100000697440_200000210301 [0,1,0,0,0,0|3,0,0]=4 616 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 34a_100000697440_200000210301 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 38a_100000697440_200000210301 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 7a_100000697440_200000210301 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.21 CN(C)c1ccc(c(c1)F)Br 2230a_100012285320_200000210301 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.21 CN(C)c1ccc(c(c1)F)Br 269982a_100012285320_200000210301 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.21 CN(C)c1ccc(c(c1)F)Br 34a_100012285320_200000210301 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.21 CN(C)c1ccc(c(c1)F)Br 7a_100012285320_200000210301 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.21 CN(C)c1ccc(c(c1)F)F 2230a_100000221014_200000210301 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.21 CN(C)c1ccc(c(c1)F)F 269982a_100000221014_200000210301 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.21 CN(C)c1ccc(c(c1)F)F 34a_100000221014_200000210301 [0,1,0,0,0,0|3,0,0]=4 626 B11R1.21 CN(C)c1ccc(c(c1)F)F 38a_100000221014_200000210301 [0,1,0,0,0,0|3,0,0]=4 627 B11R1.21 CN(C)c1ccc(c(c1)F)F 7a_100000221014_200000210301 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.21 CN(C)c1ccc(c(c1)O)N 271570a_203496583355_200013039233 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)Cl 2230a_100000219944_200025704644 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)Cl 269982a_100000219944_200025704644 [0,1,0,0,0,0|3,0,0]=4 631 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)Cl 34a_100000219944_200025704644 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 2230a_100000697440_200025704644 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 269982a_100000697440_200025704644 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 34a_100000697440_200025704644 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 38a_100000697440_200025704644 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 7a_100000697440_200025704644 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.21 CN([13CH3])c1ccc(c(c1)F)Br 2230a_100012285320_200025704644 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.21 CN([13CH3])c1ccc(c(c1)F)Br 269982a_100012285320_200025704644 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.21 CN([13CH3])c1ccc(c(c1)F)Br 34a_100012285320_200025704644 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.21 CN([13CH3])c1ccc(c(c1)F)Br 7a_100012285320_200025704644 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 2230a_100000221014_200025704644 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 269982a_100000221014_200025704644 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 34a_100000221014_200025704644 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 38a_100000221014_200025704644 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 7a_100000221014_200025704644 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.21 C[C@H](N)c1ccc(c(c1)F)O 271570a_203496583355_100134618348 [0,1,0,0,0,0|2,0,1]=4 647 B11R1.21 C[C@H](N)c1ccc(c(c1)O)F 271570a_203496583355_100000753309 [0,1,0,0,0,0|2,0,1]=4 648 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [0,1,0,0,0,0|0,0,0]=1 649 B11R1.21 Cc1cc(ccc1Br)N(C)C 2230a_100102888905_200000210301 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.21 Cc1cc(ccc1Br)N(C)C 269982a_100102888905_200000210301 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.21 Cc1cc(ccc1Br)N(C)C 34a_100102888905_200000210301 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.21 Cc1cc(ccc1Br)N(C)[13CH3] 2230a_100102888905_200025704644 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.21 Cc1cc(ccc1Br)N(C)[13CH3] 269982a_100102888905_200025704644 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.21 Cc1cc(ccc1Br)N(C)[13CH3] 34a_100102888905_200025704644 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,1,0,0,0,0|0,0,0]=1 656 B11R1.21 Cc1cc(ccc1Cl)N(C)C 2230a_114849113799_200000210301 [0,1,0,0,0,0|2,0,0]=3 657 B11R1.21 Cc1cc(ccc1Cl)N(C)C 269982a_114849113799_200000210301 [0,1,0,0,0,0|2,0,0]=3 658 B11R1.21 Cc1cc(ccc1Cl)N(C)C 34a_114849113799_200000210301 [0,1,0,0,0,0|2,0,0]=3 659 B11R1.21 Cc1cc(ccc1Cl)N(C)[13CH3] 2230a_114849113799_200025704644 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.21 Cc1cc(ccc1Cl)N(C)[13CH3] 269982a_114849113799_200025704644 [0,1,0,0,0,0|2,0,0]=3 661 B11R1.21 Cc1cc(ccc1Cl)N(C)[13CH3] 34a_114849113799_200025704644 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [0,1,0,0,0,0|0,0,0]=1 663 B11R1.21 Cc1cc(ccc1F)N(C)C 2230a_100011756966_200000210301 [0,1,0,0,0,0|2,0,0]=3 664 B11R1.21 Cc1cc(ccc1F)N(C)C 269982a_100011756966_200000210301 [0,1,0,0,0,0|2,0,0]=3 665 B11R1.21 Cc1cc(ccc1F)N(C)C 34a_100011756966_200000210301 [0,1,0,0,0,0|2,0,0]=3 666 B11R1.21 Cc1cc(ccc1F)N(C)C 38a_100011756966_200000210301 [0,1,0,0,0,0|2,0,0]=3 667 B11R1.21 Cc1cc(ccc1F)N(C)C 7a_100011756966_200000210301 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 2230a_100011756966_200025704644 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 269982a_100011756966_200025704644 [0,1,0,0,0,0|2,0,0]=3 670 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 34a_100011756966_200025704644 [0,1,0,0,0,0|2,0,0]=3 671 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 38a_100011756966_200025704644 [0,1,0,0,0,0|2,0,0]=3 672 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 7a_100011756966_200025704644 [0,1,0,0,0,0|2,0,0]=3 673 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [0,1,0,0,0,0|0,0,0]=1 674 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [0,1,0,0,0,0|2,0,1]=4 675 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [0,1,0,0,0,0|1,0,0]=2 676 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,1,0,0,0,0|0,0,0]=1 677 B11R1.21 Cc1cc(ccc1O)N(C)C 271570a_203496583355_100011934168 [0,1,0,0,0,0|2,0,0]=3 678 B11R1.21 Cc1cc(ncc1O)C(C)C 271570a_203496583355_100021475462 [0,1,0,0,0,0|2,0,1]=4 679 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,1,0,0,0,0|1,0,0]=2 680 B11R1.21 Cc1ccc(cc1Br)N(C)C 2230a_100000707694_200000210301 [0,1,0,0,0,0|3,0,0]=4 681 B11R1.21 Cc1ccc(cc1Br)N(C)C 269982a_100000707694_200000210301 [0,1,0,0,0,0|3,0,0]=4 682 B11R1.21 Cc1ccc(cc1Br)N(C)C 34a_100000707694_200000210301 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.21 Cc1ccc(cc1Br)N(C)C 38a_100000707694_200000210301 [0,1,0,0,0,0|3,0,0]=4 684 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 2230a_100000707694_200025704644 [0,1,0,0,0,0|3,0,0]=4 685 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 269982a_100000707694_200025704644 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 34a_100000707694_200025704644 [0,1,0,0,0,0|3,0,0]=4 687 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 38a_100000707694_200025704644 [0,1,0,0,0,0|3,0,0]=4 688 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,1,0,0,0,0|0,0,0]=1 689 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,1,0,0,0,0|1,0,0]=2 690 B11R1.21 Cc1ccc(cc1Cl)N(C)C 2230a_100000220120_200000210301 [0,1,0,0,0,0|3,0,0]=4 691 B11R1.21 Cc1ccc(cc1Cl)N(C)C 269982a_100000220120_200000210301 [0,1,0,0,0,0|3,0,0]=4 692 B11R1.21 Cc1ccc(cc1Cl)N(C)C 34a_100000220120_200000210301 [0,1,0,0,0,0|3,0,0]=4 693 B11R1.21 Cc1ccc(cc1Cl)N(C)C 38a_100000220120_200000210301 [0,1,0,0,0,0|3,0,0]=4 694 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 2230a_100000220120_200025704644 [0,1,0,0,0,0|3,0,0]=4 695 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 269982a_100000220120_200025704644 [0,1,0,0,0,0|3,0,0]=4 696 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 34a_100000220120_200025704644 [0,1,0,0,0,0|3,0,0]=4 697 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 38a_100000220120_200025704644 [0,1,0,0,0,0|3,0,0]=4 698 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,1,0,0,0,0|1,0,0]=2 699 B11R1.21 Cc1ccc(cc1F)N(C)C 2230a_100160572069_200000210301 [0,1,0,0,0,0|3,0,0]=4 700 B11R1.21 Cc1ccc(cc1F)N(C)C 269982a_100160572069_200000210301 [0,1,0,0,0,0|3,0,0]=4 701 B11R1.21 Cc1ccc(cc1F)N(C)C 34a_100160572069_200000210301 [0,1,0,0,0,0|3,0,0]=4 702 B11R1.21 Cc1ccc(cc1F)N(C)C 38a_100160572069_200000210301 [0,1,0,0,0,0|3,0,0]=4 703 B11R1.21 Cc1ccc(cc1F)N(C)C 7a_100160572069_200000210301 [0,1,0,0,0,0|3,0,0]=4 704 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 2230a_100160572069_200025704644 [0,1,0,0,0,0|3,0,0]=4 705 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 269982a_100160572069_200025704644 [0,1,0,0,0,0|3,0,0]=4 706 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 34a_100160572069_200025704644 [0,1,0,0,0,0|3,0,0]=4 707 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 38a_100160572069_200025704644 [0,1,0,0,0,0|3,0,0]=4 708 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 7a_100160572069_200025704644 [0,1,0,0,0,0|3,0,0]=4 709 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,1,0,0,0,0|1,0,0]=2 710 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [0,1,0,0,0,0|2,0,0]=3 711 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,1,0,0,0,0|1,0,0]=2 712 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [0,1,0,0,0,0|2,0,0]=3 713 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [0,1,0,0,0,0|2,0,0]=3 714 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [0,1,0,0,0,0|2,0,0]=3 715 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [0,1,0,0,0,0|2,0,0]=3 716 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [0,1,0,0,0,0|1,0,0]=2 717 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,1,0,0,0,0|1,0,0]=2 718 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [0,1,0,0,0,0|1,0,0]=2 719 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [0,1,0,0,0,0|1,0,0]=2 720 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,1,0,0,0,0|1,0,0]=2 721 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,1,0,0,0,0|1,0,0]=2 722 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,1,0,0,0,0|1,0,0]=2 723 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,1,0,0,0,0|1,0,0]=2 724 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,1,0,0,0,0|1,0,0]=2 725 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,1,0,0,0,0|1,0,0]=2 726 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [0,1,0,0,0,0|1,0,0]=2 727 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,1,0,0,0,0|1,0,0]=2 728 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [0,1,0,0,0,0|1,0,0]=2 729 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [0,1,0,0,0,0|1,0,0]=2 730 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,1,0,0,0,0|1,0,0]=2 731 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [0,1,0,0,0,0|1,0,0]=2 732 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,1,0,0,0,0|1,0,0]=2 733 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [0,1,0,0,0,0|1,0,0]=2 734 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [0,1,0,0,0,0|1,0,0]=2 735 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,1,0,0,0,0|1,0,0]=2 736 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,1,0,0,0,0|1,0,0]=2 737 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,1,0,0,0,0|1,0,0]=2 738 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,1,0,0,0,0|1,0,0]=2 739 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,1,0,0,0,0|1,0,0]=2 740 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,1,0,0,0,0|1,0,0]=2 741 B11R1.23 CC(N[13CH3])c1cccc(c1)Br 2230a_100020642005_200025704644 [0,1,0,0,0,0|2,0,1]=4 742 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 2230a_100102723534_200025704644 [0,1,0,0,0,0|2,0,1]=4 743 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 34a_100102723534_200025704644 [0,1,0,0,0,0|2,0,1]=4 744 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [0,1,0,0,0,0|2,0,1]=4 745 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [0,1,0,0,0,0|1,0,2]=4 746 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [0,1,0,0,0,0|1,0,2]=4 747 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [0,1,0,0,0,0|1,0,2]=4 748 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [0,1,0,0,0,0|1,0,2]=4 749 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [0,1,0,0,0,0|1,0,2]=4 750 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [0,1,0,0,0,0|1,0,2]=4 751 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [0,1,0,0,0,0|1,0,2]=4 752 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [0,1,0,0,0,0|1,0,2]=4 753 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [0,1,0,0,0,0|2,0,0]=3 754 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,1,0,0,0,0|1,0,0]=2 755 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,1,0,0,0,0|0,0,0]=1 756 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,1,0,0,0,0|1,0,0]=2 757 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,1,0,0,0,0|1,0,0]=2 758 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,1,0,0,0,0|1,0,0]=2 759 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,1,0,0,0,0|1,0,0]=2 760 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,1,0,0,0,0|1,0,0]=2 761 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [0,1,0,0,0,0|2,0,0]=3 762 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [0,1,0,0,0,0|1,0,2]=4 763 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210202 [0,1,0,0,0,0|3,0,0]=4 764 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000738899_200000210301 [0,1,0,0,0,0|3,0,0]=4 765 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000219648_100000204670 [0,1,0,0,0,0|3,0,0]=4 766 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000738899_200000210301 [0,1,0,0,0,0|3,0,0]=4 767 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000219648_100000210202 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000738899_200000210301 [0,1,0,0,0,0|3,0,0]=4 769 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000182157_200000210301 [0,1,0,0,0,0|2,0,0]=3 770 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000219674_100000210202 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000182157_200000210301 [0,1,0,0,0,0|2,0,0]=3 772 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000219674_100000204670 [0,1,0,0,0,0|2,0,0]=3 773 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000182157_200000210301 [0,1,0,0,0,0|2,0,0]=3 774 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000219674_100000210202 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.23 CCN(C)c1cccc(c1)C 7a_100000182157_200000210301 [0,1,0,0,0,0|2,0,0]=3 776 B11R1.23 CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210202 [0,1,0,0,0,0|3,0,0]=4 777 B11R1.23 CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000204670 [0,1,0,0,0,0|3,0,0]=4 778 B11R1.23 CCN(C)c1cccc(c1)Cl 34a_100000220044_100000210202 [0,1,0,0,0,0|3,0,0]=4 779 B11R1.23 CCN(C)c1cccc(c1)F 2230a_100020633736_100000210202 [0,1,0,0,0,0|3,0,0]=4 780 B11R1.23 CCN(C)c1cccc(c1)F 269982a_100020633736_100000204670 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.23 CCN(C)c1cccc(c1)F 34a_100020633736_100000210202 [0,1,0,0,0,0|3,0,0]=4 782 B11R1.23 CCN(C)c1cccc(c1)I 2230a_100000221217_100000210202 [0,1,0,0,0,0|3,0,0]=4 783 B11R1.23 CCN(C)c1cccc(c1)I 269982a_100000221217_100000204670 [0,1,0,0,0,0|3,0,0]=4 784 B11R1.23 CCN(C)c1cccc(c1)I 34a_100000221217_100000210202 [0,1,0,0,0,0|3,0,0]=4 785 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000717746_200000210301 [0,1,0,0,0,0|3,0,0]=4 786 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000756613_100000210202 [0,1,0,0,0,0|3,0,0]=4 787 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000717746_200000210301 [0,1,0,0,0,0|3,0,0]=4 788 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000756613_100000204670 [0,1,0,0,0,0|3,0,0]=4 789 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000717746_200000210301 [0,1,0,0,0,0|3,0,0]=4 790 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000756613_100000210202 [0,1,0,0,0,0|3,0,0]=4 791 B11R1.23 CCN([13CH3])c1cccc(c1)Br 2230a_100000738899_200025704644 [0,1,0,0,0,0|3,0,0]=4 792 B11R1.23 CCN([13CH3])c1cccc(c1)Br 269982a_100000738899_200025704644 [0,1,0,0,0,0|3,0,0]=4 793 B11R1.23 CCN([13CH3])c1cccc(c1)Br 34a_100000738899_200025704644 [0,1,0,0,0,0|3,0,0]=4 794 B11R1.23 CCN([13CH3])c1cccc(c1)C 2230a_100000182157_200025704644 [0,1,0,0,0,0|2,0,0]=3 795 B11R1.23 CCN([13CH3])c1cccc(c1)C 269982a_100000182157_200025704644 [0,1,0,0,0,0|2,0,0]=3 796 B11R1.23 CCN([13CH3])c1cccc(c1)C 34a_100000182157_200025704644 [0,1,0,0,0,0|2,0,0]=3 797 B11R1.23 CCN([13CH3])c1cccc(c1)C 7a_100000182157_200025704644 [0,1,0,0,0,0|2,0,0]=3 798 B11R1.23 CCN([13CH3])c1cccc(c1)O 2230a_100000717746_200025704644 [0,1,0,0,0,0|3,0,0]=4 799 B11R1.23 CCN([13CH3])c1cccc(c1)O 269982a_100000717746_200025704644 [0,1,0,0,0,0|3,0,0]=4 800 B11R1.23 CCN([13CH3])c1cccc(c1)O 34a_100000717746_200025704644 [0,1,0,0,0,0|3,0,0]=4 801 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [0,1,0,0,0,0|2,0,1]=4 802 B11R1.23 CN(CF)c1cccc(c1)Br 269982a_100000219648_100015361967 [0,1,0,0,0,0|3,0,0]=4 803 B11R1.23 CN(CF)c1cccc(c1)Br 34a_100000219648_100015361967 [0,1,0,0,0,0|3,0,0]=4 804 B11R1.23 CN(CF)c1cccc(c1)Cl 269982a_100000220044_100015361967 [0,1,0,0,0,0|3,0,0]=4 805 B11R1.23 CN(CF)c1cccc(c1)Cl 34a_100000220044_100015361967 [0,1,0,0,0,0|3,0,0]=4 806 B11R1.23 CN(CF)c1cccc(c1)F 269982a_100020633736_100015361967 [0,1,0,0,0,0|3,0,0]=4 807 B11R1.23 CN(CF)c1cccc(c1)F 34a_100020633736_100015361967 [0,1,0,0,0,0|3,0,0]=4 808 B11R1.23 CN(CF)c1cccc(c1)I 269982a_100000221217_100015361967 [0,1,0,0,0,0|3,0,0]=4 809 B11R1.23 CN(CF)c1cccc(c1)I 34a_100000221217_100015361967 [0,1,0,0,0,0|3,0,0]=4 810 B11R1.23 CN(CF)c1cccc(c1)O 269982a_100000756613_100015361967 [0,1,0,0,0,0|3,0,0]=4 811 B11R1.23 CN(CF)c1cccc(c1)O 34a_100000756613_100015361967 [0,1,0,0,0,0|3,0,0]=4 812 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [0,1,0,0,0,0|2,0,0]=3 813 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,1,0,0,0,0|1,0,0]=2 814 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,1,0,0,0,0|1,0,0]=2 815 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,1,0,0,0,0|1,0,0]=2 816 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,1,0,0,0,0|1,0,0]=2 817 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,1,0,0,0,0|0,0,0]=1 818 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,1,0,0,0,0|0,0,0]=1 819 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,1,0,0,0,0|0,0,0]=1 820 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,1,0,0,0,0|0,0,0]=1 821 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,1,0,0,0,0|1,0,0]=2 822 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,1,0,0,0,0|1,0,0]=2 823 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,1,0,0,0,0|1,0,0]=2 824 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,1,0,0,0,0|1,0,0]=2 825 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,1,0,0,0,0|1,0,0]=2 826 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,1,0,0,0,0|1,0,0]=2 827 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,1,0,0,0,0|1,0,0]=2 828 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,1,0,0,0,0|1,0,0]=2 829 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,1,0,0,0,0|1,0,0]=2 830 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,1,0,0,0,0|1,0,0]=2 831 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,1,0,0,0,0|1,0,0]=2 832 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,1,0,0,0,0|1,0,0]=2 833 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,1,0,0,0,0|1,0,0]=2 834 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,1,0,0,0,0|1,0,0]=2 835 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,1,0,0,0,0|1,0,0]=2 836 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [0,1,0,0,0,0|2,0,0]=3 837 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [0,1,0,0,0,0|2,0,0]=3 838 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [0,1,0,0,0,0|2,0,0]=3 839 B11R1.23 CNC(C)c1cc(ccn1)C 2230a_100011933787_200000210301 [0,1,0,0,0,0|2,0,1]=4 840 B11R1.23 CNC(C)c1cc(ccn1)C 269862a_106832991636_100000728896 [0,1,0,0,0,0|2,0,1]=4 841 B11R1.23 CNC(C)c1cc(ccn1)C 270004a_106832991635_100000728896 [0,1,0,0,0,0|2,0,1]=4 842 B11R1.23 CNC(C)c1cccc(c1)Br 2230a_100020642005_200000210301 [0,1,0,0,0,0|2,0,1]=4 843 B11R1.23 CNC(C)c1cccc(c1)Br 269862a_106832991636_100000210093 [0,1,0,0,0,0|2,0,1]=4 844 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [0,1,0,0,0,0|1,0,1]=3 845 B11R1.23 CNC(C)c1cccc(c1)Cl 2230a_100102723534_200000210301 [0,1,0,0,0,0|2,0,1]=4 846 B11R1.23 CNC(C)c1cccc(c1)Cl 269862a_106832991636_200000210964 [0,1,0,0,0,0|2,0,1]=4 847 B11R1.23 CNC(C)c1cccc(c1)Cl 34a_100102723534_200000210301 [0,1,0,0,0,0|2,0,1]=4 848 B11R1.23 CNC(C)c1cccc(c1)F 269862a_106832991636_100000187083 [0,1,0,0,0,0|2,0,1]=4 849 B11R1.23 CNC(C)c1cccc(c1)I 269862a_106832991636_100011356966 [0,1,0,0,0,0|2,0,1]=4 850 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [0,1,0,0,0,0|2,0,1]=4 851 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [0,1,0,0,0,0|2,0,1]=4 852 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [0,1,0,0,0,0|2,0,1]=4 853 B11R1.23 CNC(C)c1cccc(n1)C 2230a_100011877385_200000210301 [0,1,0,0,0,0|2,0,1]=4 854 B11R1.23 CNC(C)c1cccc(n1)C 269862a_106832991636_100011877301 [0,1,0,0,0,0|2,0,1]=4 855 B11R1.23 CNC(C)c1ccnc(c1)C 269862a_106832991636_100011998260 [0,1,0,0,0,0|2,0,1]=4 856 B11R1.23 CNC(C)c1cncc(c1)C 269862a_106832991636_100000702010 [0,1,0,0,0,0|2,0,1]=4 857 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [0,1,0,0,0,0|1,0,1]=3 858 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [0,1,0,0,0,0|1,0,1]=3 859 B11R1.23 CN[C@H](C)c1cccc(c1)F 2230a_100015193778_200000210301 [0,1,0,0,0,0|2,0,1]=4 860 B11R1.23 CN[C@H](C)c1cccc(c1)F 34a_100015193778_200000210301 [0,1,0,0,0,0|2,0,1]=4 861 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,1,0,0,0,0|2,0,0]=3 862 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [0,1,0,0,0,0|3,0,0]=4 863 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,1,0,0,0,0|1,0,0]=2 864 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,1,0,0,0,0|2,0,0]=3 865 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [0,1,0,0,0,0|2,0,0]=3 866 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [0,1,0,0,0,0|3,0,0]=4 867 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,1,0,0,0,0|2,0,0]=3 868 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [0,1,0,0,0,0|3,0,0]=4 869 B11R1.23 COC(=O)c1cnnc(c1)O 271570a_203496583355_100009862058 [0,1,0,0,0,0|3,0,0]=4 870 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [0,1,0,0,0,0|1,0,2]=4 871 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [0,1,0,0,0,0|1,0,2]=4 872 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [0,1,0,0,0,0|0,0,2]=3 873 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [0,1,0,0,0,0|0,0,2]=3 874 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [0,1,0,0,0,0|1,0,2]=4 875 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [0,1,0,0,0,0|1,0,2]=4 876 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [0,1,0,0,0,0|1,0,2]=4 877 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [0,1,0,0,0,0|1,0,2]=4 878 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [0,1,0,0,0,0|1,0,2]=4 879 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [0,1,0,0,0,0|1,0,2]=4 880 B11R1.23 COC(C)c1cccc(n1)C 34a_200011877368_200000210301 [0,1,0,0,0,0|1,0,2]=4 881 B11R1.23 COC(C)c1cccc(n1)C 7a_200011877368_200000210301 [0,1,0,0,0,0|1,0,2]=4 882 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [0,1,0,0,0,0|1,0,2]=4 883 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [0,1,0,0,0,0|1,0,2]=4 884 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 2230a_100015193778_200025704644 [0,1,0,0,0,0|2,0,1]=4 885 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 34a_100015193778_200025704644 [0,1,0,0,0,0|2,0,1]=4 886 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [0,1,0,0,0,0|1,0,2]=4 887 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [0,1,0,0,0,0|1,0,2]=4 888 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,1,0,0,0,0|0,0,0]=1 889 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [0,1,0,0,0,0|0,0,2]=3 890 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [0,1,0,0,0,0|0,0,2]=3 891 B11R1.23 Cc1cccc(c1)N(C)CF 269982a_100000219674_100015361967 [0,1,0,0,0,0|2,0,0]=3 892 B11R1.23 Cc1cccc(c1)N(C)CF 34a_100000219674_100015361967 [0,1,0,0,0,0|2,0,0]=3 893 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [0,1,0,0,0,0|1,0,1]=3 894 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [0,1,0,0,0,0|1,0,1]=3 895 B11R1.23 Cc1cccc(n1)C(C)N[13CH3] 2230a_100011877385_200025704644 [0,1,0,0,0,0|2,0,1]=4 896 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 34a_200011877368_200025704644 [0,1,0,0,0,0|1,0,2]=4 897 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 7a_200011877368_200025704644 [0,1,0,0,0,0|1,0,2]=4 898 B11R1.23 Cc1ccnc(c1)C(C)N[13CH3] 2230a_100011933787_200025704644 [0,1,0,0,0,0|2,0,1]=4 899 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [0,1,0,0,0,0|1,0,1]=3 900 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [0,1,0,0,0,0|2,0,1]=4 901 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [0,1,0,0,0,0|1,0,0]=2 902 B11R1.23 NNC(=O)c1cc(ccn1)O 271570a_203496583355_100000017052 [0,1,0,0,0,0|3,0,0]=4 903 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [0,1,0,0,0,0|2,0,0]=3 904 B11R1.23 NNC(=O)c1cccc(n1)O 271570a_203496583355_100011631096 [0,1,0,0,0,0|3,0,0]=4 905 B11R1.23 NNC(=O)c1ccnc(c1)O 271570a_203496583355_100000021280 [0,1,0,0,0,0|3,0,0]=4 906 B11R1.23 NNC(=O)c1cncc(c1)O 271570a_203496583355_100000189809 [0,1,0,0,0,0|3,0,0]=4 907 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [0,1,0,0,0,0|1,0,0]=2 908 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,1,0,0,0,0|1,0,0]=2 909 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [0,1,0,0,0,0|1,0,0]=2 910 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [0,1,0,0,0,0|1,0,0]=2 911 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [0,1,0,0,0,0|1,0,0]=2 912 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [0,1,0,0,0,0|1,0,1]=3 913 B11R1.74 C=C(C)c1cc([nH]c(=O)c1)C 271570a_100000694244_100009861981 [0,1,0,0,0,0|2,0,0]=3 914 B11R1.74 C=C(C)c1cc(cc(c1)Br)Br 271570a_100000694244_100009814770 [0,1,0,0,0,0|2,0,0]=3 915 B11R1.74 C=C(C)c1cc(cc(c1)Br)Cl 271570a_100000694244_100009814755 [0,1,0,0,0,0|2,0,0]=3 916 B11R1.74 C=C(C)c1cc(cc(c1)Br)F 271570a_100000694244_100009814764 [0,1,0,0,0,0|2,0,0]=3 917 B11R1.74 C=C(C)c1cc(cc(c1)Br)N 271570a_100000694244_100009814763 [0,1,0,0,0,0|2,0,0]=3 918 B11R1.74 C=C(C)c1cc(cc(c1)Br)O 271570a_100000694244_100010068917 [0,1,0,0,0,0|2,0,0]=3 919 B11R1.74 C=C(C)c1cc(cc(c1)C)C 271570a_100000694244_100011215608 [0,1,0,0,0,0|1,0,0]=2 920 B11R1.74 C=C(C)c1cc(cc(c1)Cl)C 271570a_100000694244_100010172791 [0,1,0,0,0,0|1,0,0]=2 921 B11R1.74 C=C(C)c1cc(cc(c1)Cl)Cl 271570a_100000694244_100000747138 [0,1,0,0,0,0|2,0,0]=3 922 B11R1.74 C=C(C)c1cc(cc(c1)Cl)F 271570a_100000694244_100013859453 [0,1,0,0,0,0|2,0,0]=3 923 B11R1.74 C=C(C)c1cc(cc(c1)Cl)N 271570a_100000694244_100010147676 [0,1,0,0,0,0|2,0,0]=3 924 B11R1.74 C=C(C)c1cc(cc(c1)Cl)O 271570a_100000694244_100010068924 [0,1,0,0,0,0|2,0,0]=3 925 B11R1.74 C=C(C)c1cc(cc(c1)F)C 271570a_100000694244_100011356977 [0,1,0,0,0,0|1,0,0]=2 926 B11R1.74 C=C(C)c1cc(cc(c1)F)F 271570a_100000694244_100011218498 [0,1,0,0,0,0|2,0,0]=3 927 B11R1.74 C=C(C)c1cc(cc(c1)F)N 271570a_100000694244_100011356972 [0,1,0,0,0,0|2,0,0]=3 928 B11R1.74 C=C(C)c1cc(cc(c1)F)O 271570a_100000694244_100000717995 [0,1,0,0,0,0|2,0,0]=3 929 B11R1.74 C=C(C)c1cc(cc(c1)N)C 271570a_100000694244_100000695972 [0,1,0,0,0,0|1,0,0]=2 930 B11R1.74 C=C(C)c1cc(cc(c1)N)N 271570a_100000694244_100011999608 [0,1,0,0,0,0|2,0,0]=3 931 B11R1.74 C=C(C)c1cc(cc(c1)O)C 271570a_100000694244_100011999630 [0,1,0,0,0,0|1,0,0]=2 932 B11R1.74 C=C(C)c1cc(cc(c1)O)O 271570a_100000694244_100009868816 [0,1,0,0,0,0|2,0,0]=3 933 B11R1.74 C=C(C)c1cc(cc(n1)C)C 271570a_100000694244_100000069240 [0,1,0,0,0,0|2,0,0]=3 934 B11R1.74 C=C(C)c1cc(cc(n1)F)C 271570a_100000694244_100009819601 [0,1,0,0,0,0|2,0,0]=3 935 B11R1.74 C=C(C)c1cc(cc(n1)N)C 271570a_100000694244_100009819863 [0,1,0,0,0,0|2,0,0]=3 936 B11R1.74 C=C(C)c1cc(nc(c1)C)C 271570a_100000694244_100009816552 [0,1,0,0,0,0|2,0,0]=3 937 B11R1.74 C=C(C)c1cc(nc(c1)F)C 271570a_100000694244_100010006595 [0,1,0,0,0,0|2,0,0]=3 938 B11R1.74 C=C(C)c1cc(nc(c1)F)F 271570a_100000694244_100000049587 [0,1,0,0,0,0|3,0,0]=4 939 B11R1.74 C=C(C)c1cc(nc(c1)N)C 271570a_100000694244_100000076705 [0,1,0,0,0,0|2,0,0]=3 940 B11R1.74 C=C(C)c1cc(nc(c1)N)N 271570a_100000694244_100009816676 [0,1,0,0,0,0|3,0,0]=4 941 B11R1.74 C=C(C)c1cc(nc(n1)C)C 271570a_100000694244_100000736142 [0,1,0,0,0,0|3,0,0]=4 942 B11R1.74 C=C(C)c1cc(nc(n1)C)N 271570a_100000694244_100012178882 [0,1,0,0,0,0|3,0,0]=4 943 B11R1.74 C=C(C)c1cc(nc(n1)C)O 271570a_100000694244_106741647437 [0,1,0,0,0,0|3,0,0]=4 944 B11R1.74 C=C(C)c1cc(nc(n1)N)C 271570a_100000694244_100000183061 [0,1,0,0,0,0|3,0,0]=4 945 B11R1.74 C=C(C)c1nc(cc(n1)C)C 271570a_100000694244_100000736147 [0,1,0,0,0,0|3,0,0]=4 946 B11R1.74 C=C(C)c1nc(cc(n1)N)C 271570a_100000694244_100000687285 [0,1,0,0,0,0|3,0,0]=4 947 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200000210301 [0,1,0,0,0,0|1,0,0]=2 948 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [0,1,0,0,0,0|0,0,0]=1 949 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000210301 [0,1,0,0,0,0|1,0,0]=2 950 B11R1.74 CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200000210301 [0,1,0,0,0,0|1,0,0]=2 951 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [0,1,0,0,0,0|1,0,0]=2 952 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [0,1,0,0,0,0|1,0,0]=2 953 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [0,1,0,0,0,0|0,0,0]=1 954 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [0,1,0,0,0,0|0,0,0]=1 955 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000210301 [0,1,0,0,0,0|1,0,0]=2 956 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000210301 [0,1,0,0,0,0|1,0,0]=2 957 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [0,1,0,0,0,0|1,0,0]=2 958 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [0,1,0,0,0,0|0,0,0]=1 959 B11R1.74 CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_200000210301 [0,1,0,0,0,0|1,0,0]=2 960 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [0,1,0,0,0,0|1,0,0]=2 961 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [0,1,0,0,0,0|1,0,0]=2 962 B11R1.74 CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200000210301 [0,1,0,0,0,0|1,0,0]=2 963 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [0,1,0,0,0,0|0,0,0]=1 964 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000210301 [0,1,0,0,0,0|1,0,0]=2 965 B11R1.74 CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_200000210301 [0,1,0,0,0,0|1,0,0]=2 966 B11R1.74 CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_200000210301 [0,1,0,0,0,0|1,0,0]=2 967 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [0,1,0,0,0,0|0,0,0]=1 968 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [0,1,0,0,0,0|0,0,0]=1 969 B11R1.74 CC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100009884196 [0,1,0,0,0,0|1,0,0]=2 970 B11R1.74 CC(C)c1cc(cc(c1)Br)O 271570a_203496583355_200015473176 [0,1,0,0,0,0|2,0,1]=4 971 B11R1.74 CC(C)c1cc(cc(c1)O)N 271570a_203496583355_100010369243 [0,1,0,0,0,0|2,0,1]=4 972 B11R1.74 CN(C)c1cc(cc(c1)Br)Br 27a_100102631434_100009814770 [0,1,0,0,0,0|3,0,0]=4 973 B11R1.74 CN(C)c1cc(cc(c1)Br)F 269982a_106741647397_200000210301 [0,1,0,0,0,0|3,0,0]=4 974 B11R1.74 CN(C)c1cc(cc(c1)Br)F 34a_106741647397_200000210301 [0,1,0,0,0,0|3,0,0]=4 975 B11R1.74 CN(C)c1cc(cc(c1)Br)F 7a_106741647397_200000210301 [0,1,0,0,0,0|3,0,0]=4 976 B11R1.74 CN(C)c1cc(cc(c1)Cl)Cl 2230a_100000220458_200000210301 [0,1,0,0,0,0|3,0,0]=4 977 B11R1.74 CN(C)c1cc(cc(c1)Cl)Cl 269982a_100000220458_200000210301 [0,1,0,0,0,0|3,0,0]=4 978 B11R1.74 CN(C)c1cc(cc(c1)Cl)Cl 34a_100000220458_200000210301 [0,1,0,0,0,0|3,0,0]=4 979 B11R1.74 CN(C)c1cc(cc(c1)Cl)Cl 7a_100000220458_200000210301 [0,1,0,0,0,0|3,0,0]=4 980 B11R1.74 CN(C)c1cc(cc(c1)F)F 2230a_100011233154_200000210301 [0,1,0,0,0,0|3,0,0]=4 981 B11R1.74 CN(C)c1cc(cc(c1)F)F 269982a_100011233154_200000210301 [0,1,0,0,0,0|3,0,0]=4 982 B11R1.74 CN(C)c1cc(cc(c1)F)F 34a_100011233154_200000210301 [0,1,0,0,0,0|3,0,0]=4 983 B11R1.74 CN(C)c1cc(cc(c1)F)F 7a_100011233154_200000210301 [0,1,0,0,0,0|3,0,0]=4 984 B11R1.74 CN([13CH3])c1cc(cc(c1)Br)F 269982a_106741647397_200025704644 [0,1,0,0,0,0|3,0,0]=4 985 B11R1.74 CN([13CH3])c1cc(cc(c1)Br)F 34a_106741647397_200025704644 [0,1,0,0,0,0|3,0,0]=4 986 B11R1.74 CN([13CH3])c1cc(cc(c1)Br)F 7a_106741647397_200025704644 [0,1,0,0,0,0|3,0,0]=4 987 B11R1.74 CN([13CH3])c1cc(cc(c1)Cl)Cl 2230a_100000220458_200025704644 [0,1,0,0,0,0|3,0,0]=4 988 B11R1.74 CN([13CH3])c1cc(cc(c1)Cl)Cl 269982a_100000220458_200025704644 [0,1,0,0,0,0|3,0,0]=4 989 B11R1.74 CN([13CH3])c1cc(cc(c1)Cl)Cl 34a_100000220458_200025704644 [0,1,0,0,0,0|3,0,0]=4 990 B11R1.74 CN([13CH3])c1cc(cc(c1)Cl)Cl 7a_100000220458_200025704644 [0,1,0,0,0,0|3,0,0]=4 991 B11R1.74 CN([13CH3])c1cc(cc(c1)F)F 2230a_100011233154_200025704644 [0,1,0,0,0,0|3,0,0]=4 992 B11R1.74 CN([13CH3])c1cc(cc(c1)F)F 269982a_100011233154_200025704644 [0,1,0,0,0,0|3,0,0]=4 993 B11R1.74 CN([13CH3])c1cc(cc(c1)F)F 34a_100011233154_200025704644 [0,1,0,0,0,0|3,0,0]=4 994 B11R1.74 CN([13CH3])c1cc(cc(c1)F)F 7a_100011233154_200025704644 [0,1,0,0,0,0|3,0,0]=4 995 B11R1.74 Cc1cc(cc(=O)[nH]1)N(C)C 27a_100102631434_100009861981 [0,1,0,0,0,0|3,0,0]=4 996 B11R1.74 Cc1cc(cc(c1)B(O)O)O 271570a_203496583355_100009814731 [0,1,0,0,0,0|2,0,1]=4 997 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [0,1,0,0,0,0|1,0,0]=2 998 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [0,1,0,0,0,0|0,0,0]=1 999 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [0,1,0,0,0,0|0,0,0]=1 1000 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [0,1,0,0,0,0|0,0,0]=1 1001 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [0,1,0,0,0,0|0,0,0]=1 1002 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [0,1,0,0,0,0|0,0,0]=1 1003 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [0,1,0,0,0,0|0,0,0]=1 1004 B11R1.74 Cc1cc(cc(c1)N(C)C)F 2230a_103496528823_200000210301 [0,1,0,0,0,0|2,0,0]=3 1005 B11R1.74 Cc1cc(cc(c1)N(C)C)F 269982a_103496528823_200000210301 [0,1,0,0,0,0|2,0,0]=3 1006 B11R1.74 Cc1cc(cc(c1)N(C)C)F 34a_103496528823_200000210301 [0,1,0,0,0,0|2,0,0]=3 1007 B11R1.74 Cc1cc(cc(c1)N(C)C)F 38a_103496528823_200000210301 [0,1,0,0,0,0|2,0,0]=3 1008 B11R1.74 Cc1cc(cc(c1)N(C)C)F 7a_103496528823_200000210301 [0,1,0,0,0,0|2,0,0]=3 1009 B11R1.74 Cc1cc(cc(c1)N(C)[13CH3])F 2230a_103496528823_200025704644 [0,1,0,0,0,0|2,0,0]=3 1010 B11R1.74 Cc1cc(cc(c1)N(C)[13CH3])F 269982a_103496528823_200025704644 [0,1,0,0,0,0|2,0,0]=3 1011 B11R1.74 Cc1cc(cc(c1)N(C)[13CH3])F 34a_103496528823_200025704644 [0,1,0,0,0,0|2,0,0]=3 1012 B11R1.74 Cc1cc(cc(c1)N(C)[13CH3])F 38a_103496528823_200025704644 [0,1,0,0,0,0|2,0,0]=3 1013 B11R1.74 Cc1cc(cc(c1)N(C)[13CH3])F 7a_103496528823_200025704644 [0,1,0,0,0,0|2,0,0]=3 1014 B11R1.74 Cc1cc(cc(n1)C)N(C)C 27a_100102631434_100000066820 [0,1,0,0,0,0|3,0,0]=4 1015 B11R1.74 Cc1cc(cc(n1)Cl)N(C)C 27a_100102631434_100010068023 [0,1,0,0,0,0|3,0,0]=4 1016 B11R1.74 Cc1cc(cc(n1)F)N(C)C 27a_100102631434_100010006595 [0,1,0,0,0,0|3,0,0]=4 1017 B11R1.74 Cc1cc(nc(c1)N(C)C)C 27a_100102631434_100000069240 [0,1,0,0,0,0|3,0,0]=4 1018 B11R1.74 Cc1cc(nc(c1)N(C)C)F 27a_100102631434_100009819601 [0,1,0,0,0,0|3,0,0]=4 1019 B11R1.74 NC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011280034 [0,1,0,0,0,0|2,0,0]=3 1020 B11R1.74 NC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100010084318 [0,1,0,0,0,0|2,0,0]=3 1021 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200025704644 [0,1,0,0,0,0|1,0,0]=2 1022 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200025704644 [0,1,0,0,0,0|1,0,0]=2 1023 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200025704644 [0,1,0,0,0,0|1,0,0]=2 1024 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [0,1,0,0,0,0|1,0,0]=2 1025 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200025704644 [0,1,0,0,0,0|1,0,0]=2 1026 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200025704644 [0,1,0,0,0,0|1,0,0]=2 1027 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [0,1,0,0,0,0|1,0,0]=2 1028 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)F 1458a_100000211655_200025704644 [0,1,0,0,0,0|1,0,0]=2 1029 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [0,1,0,0,0,0|1,0,0]=2 1030 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200025704644 [0,1,0,0,0,0|1,0,0]=2 1031 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200025704644 [0,1,0,0,0,0|1,0,0]=2 1032 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)F 1458a_100012047268_200025704644 [0,1,0,0,0,0|1,0,0]=2 1033 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)I 1458a_100011204819_200025704644 [0,1,0,0,0,0|1,0,0]=2 1034 B11R1.155 CC(C)(C)c1cccc(c1)O 271570a_203496583355_100009816526 [0,1,0,0,0,0|2,0,1]=4 1035 B11R1.155 CC(C)(N)c1cccc(c1)O 271570a_203496583355_100016995529 [0,1,0,0,0,0|2,0,1]=4 1036 B11R1.155 CC(C)(O)c1cccc(c1)O 271570a_203496583355_100011346009 [0,1,0,0,0,0|1,0,2]=4 1037 B11R1.155 CC(F)(F)c1cccc(c1)O 271570a_203496583355_100010232180 [0,1,0,0,0,0|2,0,1]=4 1038 B11R1.155 CS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100009815773 [0,1,0,0,0,0|2,0,0]=3 1039 B11R1.155 CS(=O)(=O)c1cccc(n1)O 271570a_203496583355_100010191205 [0,1,0,0,0,0|3,0,0]=4 1040 B11R1.155 CS(=O)(=O)c1ccnc(c1)O 271570a_203496583355_100016215246 [0,1,0,0,0,0|3,0,0]=4 1041 B11R1.155 CS(=O)(=O)c1cncc(c1)O 271570a_203496583355_100000702611 [0,1,0,0,0,0|3,0,0]=4 1042 B11R1.155 C[Si](C)(C)c1cccc(c1)O 271570a_203496583355_100009816414 [0,1,0,0,0,0|2,1,0]=4 1043 B11R1.155 NS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100000164563 [0,1,0,0,0,0|3,0,0]=4 1044 B11R1.159 C=C(C)c1cccc(=O)n1C 271570a_100000694244_100000726605 [0,1,0,0,0,0|3,0,0]=4 1045 B11R1.159 C=C(C)c1cccc(c1Br)O 271570a_100000694244_100010187914 [0,1,0,0,0,0|2,0,0]=3 1046 B11R1.159 C=C(C)c1cccc(c1C)Br 271570a_100000694244_100012353703 [0,1,0,0,0,0|2,0,0]=3 1047 B11R1.159 C=C(C)c1cccc(c1C)C 271570a_100000694244_100011214922 [0,1,0,0,0,0|1,0,0]=2 1048 B11R1.159 C=C(C)c1cccc(c1C)Cl 271570a_100000694244_100000726075 [0,1,0,0,0,0|2,0,0]=3 1049 B11R1.159 C=C(C)c1cccc(c1C)F 271570a_100000694244_100011216893 [0,1,0,0,0,0|2,0,0]=3 1050 B11R1.159 C=C(C)c1cccc(c1C)N 271570a_100000694244_100000761887 [0,1,0,0,0,0|2,0,0]=3 1051 B11R1.159 C=C(C)c1cccc(c1C)O 271570a_100000694244_100012002258 [0,1,0,0,0,0|2,0,0]=3 1052 B11R1.159 C=C(C)c1cccc(c1Cl)Br 271570a_100000694244_100010142854 [0,1,0,0,0,0|2,0,0]=3 1053 B11R1.159 C=C(C)c1cccc(c1Cl)C 271570a_100000694244_200012352035 [0,1,0,0,0,0|1,0,0]=2 1054 B11R1.159 C=C(C)c1cccc(c1Cl)Cl 271570a_100000694244_100011215384 [0,1,0,0,0,0|2,0,0]=3 1055 B11R1.159 C=C(C)c1cccc(c1Cl)F 271570a_100000694244_200010234923 [0,1,0,0,0,0|2,0,0]=3 1056 B11R1.159 C=C(C)c1cccc(c1Cl)O 271570a_100000694244_100000049636 [0,1,0,0,0,0|2,0,0]=3 1057 B11R1.159 C=C(C)c1cccc(c1F)Br 271570a_100000694244_100000702267 [0,1,0,0,0,0|2,0,0]=3 1058 B11R1.159 C=C(C)c1cccc(c1F)C 271570a_100000694244_100000717567 [0,1,0,0,0,0|1,0,0]=2 1059 B11R1.159 C=C(C)c1cccc(c1F)Cl 271570a_100000694244_100011217346 [0,1,0,0,0,0|2,0,0]=3 1060 B11R1.159 C=C(C)c1cccc(c1F)F 271570a_100000694244_100000694657 [0,1,0,0,0,0|2,0,0]=3 1061 B11R1.159 C=C(C)c1cccc(c1F)N 271570a_100000694244_100011935091 [0,1,0,0,0,0|2,0,0]=3 1062 B11R1.159 C=C(C)c1cccc(c1F)O 271570a_100000694244_100009817021 [0,1,0,0,0,0|2,0,0]=3 1063 B11R1.159 C=C(C)c1cccc(c1N)Br 271570a_100000694244_100010146558 [0,1,0,0,0,0|2,0,0]=3 1064 B11R1.159 C=C(C)c1cccc(c1N)C 271570a_100000694244_100011834072 [0,1,0,0,0,0|1,0,0]=2 1065 B11R1.159 C=C(C)c1cccc(c1N)Cl 271570a_100000694244_100010190421 [0,1,0,0,0,0|2,0,0]=3 1066 B11R1.159 C=C(C)c1cccc(c1N)F 271570a_100000694244_100000042321 [0,1,0,0,0,0|2,0,0]=3 1067 B11R1.159 C=C(C)c1cccc(c1N)N 271570a_100000694244_100015191791 [0,1,0,0,0,0|2,0,0]=3 1068 B11R1.159 C=C(C)c1cccc(c1N)O 271570a_100000694244_100011934926 [0,1,0,0,0,0|2,0,0]=3 1069 B11R1.159 C=C(C)c1cccc(c1O)Br 271570a_100000694244_100010084509 [0,1,0,0,0,0|2,0,0]=3 1070 B11R1.159 C=C(C)c1cccc(c1O)C 271570a_100000694244_100009817157 [0,1,0,0,0,0|1,0,0]=2 1071 B11R1.159 C=C(C)c1cccc(c1O)Cl 271570a_100000694244_100010202889 [0,1,0,0,0,0|2,0,0]=3 1072 B11R1.159 C=C(C)c1cccc(c1O)F 271570a_100000694244_100009813666 [0,1,0,0,0,0|2,0,0]=3 1073 B11R1.159 C=C(C)c1cccc(c1O)N 271570a_100000694244_100011934915 [0,1,0,0,0,0|2,0,0]=3 1074 B11R1.159 C=C(C)c1cccc(c1O)O 271570a_100000694244_100009815950 [0,1,0,0,0,0|2,0,0]=3 1075 B11R1.159 C=C(C)c1cccn(c1=O)C 271570a_100000694244_100000687173 [0,1,0,0,0,0|2,0,0]=3 1076 B11R1.159 C=C(C)c1ccnc(c1C)C 271570a_100000694244_100009846815 [0,1,0,0,0,0|2,0,0]=3 1077 B11R1.159 C=C(C)c1ccnc(c1C)Cl 271570a_100000694244_100000047055 [0,1,0,0,0,0|3,0,0]=4 1078 B11R1.159 C=C(C)c1ccnc(c1C)F 271570a_100000694244_100010006593 [0,1,0,0,0,0|3,0,0]=4 1079 B11R1.159 C=C(C)c1ccnc(c1C)N 271570a_100000694244_100009865460 [0,1,0,0,0,0|3,0,0]=4 1080 B11R1.159 C=C(C)c1ccnc(c1C)O 271570a_100000694244_100009858498 [0,1,0,0,0,0|3,0,0]=4 1081 B11R1.159 C=C(C)c1ccnc(c1Cl)C 271570a_100000694244_100000698670 [0,1,0,0,0,0|2,0,0]=3 1082 B11R1.159 C=C(C)c1ccnc(c1Cl)Cl 271570a_100000694244_100010246212 [0,1,0,0,0,0|3,0,0]=4 1083 B11R1.159 C=C(C)c1ccnc(c1Cl)F 271570a_100000694244_100010067886 [0,1,0,0,0,0|3,0,0]=4 1084 B11R1.159 C=C(C)c1ccnc(c1Cl)N 271570a_100000694244_100010735111 [0,1,0,0,0,0|3,0,0]=4 1085 B11R1.159 C=C(C)c1ccnc(c1F)Br 271570a_100000694244_200015269031 [0,1,0,0,0,0|3,0,0]=4 1086 B11R1.159 C=C(C)c1ccnc(c1F)C 271570a_100000694244_100009849794 [0,1,0,0,0,0|2,0,0]=3 1087 B11R1.159 C=C(C)c1ccnc(c1F)Cl 271570a_100000694244_100010150473 [0,1,0,0,0,0|3,0,0]=4 1088 B11R1.159 C=C(C)c1ccnc(c1F)F 271570a_100000694244_100010214882 [0,1,0,0,0,0|3,0,0]=4 1089 B11R1.159 C=C(C)c1ccnc(c1F)N 271570a_100000694244_100010077785 [0,1,0,0,0,0|3,0,0]=4 1090 B11R1.159 C=C(C)c1ccnc(c1N)C 271570a_100000694244_100009885578 [0,1,0,0,0,0|2,0,0]=3 1091 B11R1.159 C=C(C)c1ccnc(c1N)N 271570a_100000694244_100000124095 [0,1,0,0,0,0|3,0,0]=4 1092 B11R1.159 C=C(C)c1cncc(c1C)Br 271570a_100000694244_100010109657 [0,1,0,0,0,0|3,0,0]=4 1093 B11R1.159 C=C(C)c1cncc(c1C)C 271570a_100000694244_100009864703 [0,1,0,0,0,0|2,0,0]=3 1094 B11R1.159 C=C(C)c1cncc(c1C)F 271570a_100000694244_100009881546 [0,1,0,0,0,0|3,0,0]=4 1095 B11R1.159 C=C(C)c1cncc(c1C)N 271570a_100000694244_100011998293 [0,1,0,0,0,0|3,0,0]=4 1096 B11R1.159 C=C(C)c1cncc(c1N)Br 271570a_100000694244_100011290786 [0,1,0,0,0,0|3,0,0]=4 1097 B11R1.159 C=C(C)c1cncc(c1N)C 271570a_100000694244_100009818025 [0,1,0,0,0,0|2,0,0]=3 1098 B11R1.159 C=C(C)c1cncc(c1N)Cl 271570a_100000694244_100000684942 [0,1,0,0,0,0|3,0,0]=4 1099 B11R1.159 C=C(C)c1cncc(c1N)F 271570a_100000694244_100009880649 [0,1,0,0,0,0|3,0,0]=4 1100 B11R1.159 C=C(C)c1cncc(c1N)N 271570a_100000694244_100000694774 [0,1,0,0,0,0|3,0,0]=4 1101 B11R1.159 C=C(C)c1nccc(c1C)C 271570a_100000694244_100009847204 [0,1,0,0,0,0|2,0,0]=3 1102 B11R1.159 C=C(C)c1nccc(c1C)F 271570a_100000694244_100009846374 [0,1,0,0,0,0|3,0,0]=4 1103 B11R1.159 C=C(C)c1nccc(c1C)N 271570a_100000694244_100009980296 [0,1,0,0,0,0|3,0,0]=4 1104 B11R1.159 C=C(C)c1nccc(c1F)C 271570a_100000694244_100009817629 [0,1,0,0,0,0|2,0,0]=3 1105 B11R1.159 C=C(C)c1nccc(c1F)N 271570a_100000694244_100015205195 [0,1,0,0,0,0|3,0,0]=4 1106 B11R1.159 C=C(C)c1nccc(c1F)O 271570a_100000694244_100009876375 [0,1,0,0,0,0|3,0,0]=4 1107 B11R1.159 C=C(C)c1nccc(c1N)C 271570a_100000694244_100000763560 [0,1,0,0,0,0|2,0,0]=3 1108 B11R1.159 C=C(C)c1nccc(c1N)N 271570a_100000694244_100000085203 [0,1,0,0,0,0|3,0,0]=4 1109 B11R1.159 C=C(C)c1nccc(c1N)O 271570a_100000694244_100000128729 [0,1,0,0,0,0|3,0,0]=4 1110 B11R1.159 C=C(C)c1nccc(c1O)C 271570a_100000694244_100000696282 [0,1,0,0,0,0|2,0,0]=3 1111 B11R1.159 C=C(C)c1nccc(c1O)F 271570a_100000694244_100009867227 [0,1,0,0,0,0|3,0,0]=4 1112 B11R1.159 C=C(C)c1ncnc(c1C)C 271570a_100000694244_100011438038 [0,1,0,0,0,0|3,0,0]=4 1113 B11R1.159 C=C(C)c1ncnc(c1F)C 271570a_100000694244_100011671633 [0,1,0,0,0,0|3,0,0]=4 1114 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [0,1,0,0,0,0|1,0,0]=2 1115 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [0,1,0,0,0,0|0,0,0]=1 1116 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [0,1,0,0,0,0|1,0,0]=2 1117 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [0,1,0,0,0,0|1,0,0]=2 1118 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [0,1,0,0,0,0|1,0,0]=2 1119 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [0,1,0,0,0,0|1,0,0]=2 1120 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [0,1,0,0,0,0|1,0,0]=2 1121 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,1,0,0,0,0|0,0,0]=1 1122 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [0,1,0,0,0,0|1,0,0]=2 1123 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [0,1,0,0,0,0|1,0,0]=2 1124 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [0,1,0,0,0,0|1,0,0]=2 1125 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [0,1,0,0,0,0|1,0,0]=2 1126 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [0,1,0,0,0,0|1,0,0]=2 1127 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [0,1,0,0,0,0|1,0,0]=2 1128 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [0,1,0,0,0,0|0,0,0]=1 1129 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [0,1,0,0,0,0|1,0,0]=2 1130 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [0,1,0,0,0,0|1,0,0]=2 1131 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [0,1,0,0,0,0|1,0,0]=2 1132 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [0,1,0,0,0,0|1,0,0]=2 1133 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [0,1,0,0,0,0|1,0,0]=2 1134 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [0,1,0,0,0,0|0,0,0]=1 1135 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [0,1,0,0,0,0|1,0,0]=2 1136 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [0,1,0,0,0,0|1,0,0]=2 1137 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [0,1,0,0,0,0|1,0,0]=2 1138 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [0,1,0,0,0,0|1,0,0]=2 1139 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [0,1,0,0,0,0|1,0,0]=2 1140 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [0,1,0,0,0,0|1,0,0]=2 1141 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [0,1,0,0,0,0|0,0,0]=1 1142 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [0,1,0,0,0,0|1,0,0]=2 1143 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [0,1,0,0,0,0|1,0,0]=2 1144 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [0,1,0,0,0,0|1,0,0]=2 1145 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [0,1,0,0,0,0|1,0,0]=2 1146 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [0,1,0,0,0,0|0,0,0]=1 1147 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [0,1,0,0,0,0|1,0,0]=2 1148 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [0,1,0,0,0,0|1,0,0]=2 1149 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [0,1,0,0,0,0|1,0,0]=2 1150 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [0,1,0,0,0,0|1,0,0]=2 1151 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [0,1,0,0,0,0|1,0,0]=2 1152 B11R1.159 CC(=O)c1ccnc(c1N)O 271570a_203496583355_200000063496 [0,1,0,0,0,0|2,0,0]=3 1153 B11R1.159 CC(=O)c1nccc(c1F)O 271570a_203496583355_100010729024 [0,1,0,0,0,0|2,0,0]=3 1154 B11R1.159 CC(C)c1cccc(c1N)O 271570a_203496583355_100010571509 [0,1,0,0,0,0|2,0,1]=4 1155 B11R1.159 CC(O)c1cccc(c1F)O 271570a_203496583355_200012356376 [0,1,0,0,0,0|1,0,2]=4 1156 B11R1.159 CN(C)c1cccc(c1Cl)Cl 2230a_100000742713_200000210301 [0,1,0,0,0,0|3,0,0]=4 1157 B11R1.159 CN(C)c1cccc(c1Cl)Cl 269982a_100000742713_200000210301 [0,1,0,0,0,0|3,0,0]=4 1158 B11R1.159 CN(C)c1cccc(c1Cl)Cl 34a_100000742713_200000210301 [0,1,0,0,0,0|3,0,0]=4 1159 B11R1.159 CN(C)c1cccc(c1F)Cl 2230a_100020633735_200000210301 [0,1,0,0,0,0|3,0,0]=4 1160 B11R1.159 CN(C)c1cccc(c1F)Cl 269982a_100020633735_200000210301 [0,1,0,0,0,0|3,0,0]=4 1161 B11R1.159 CN(C)c1cccc(c1F)Cl 34a_100020633735_200000210301 [0,1,0,0,0,0|3,0,0]=4 1162 B11R1.159 CN(C)c1cccc(c1F)Cl 38a_100020633735_200000210301 [0,1,0,0,0,0|3,0,0]=4 1163 B11R1.159 CN([13CH3])c1cccc(c1Cl)Cl 2230a_100000742713_200025704644 [0,1,0,0,0,0|3,0,0]=4 1164 B11R1.159 CN([13CH3])c1cccc(c1Cl)Cl 269982a_100000742713_200025704644 [0,1,0,0,0,0|3,0,0]=4 1165 B11R1.159 CN([13CH3])c1cccc(c1Cl)Cl 34a_100000742713_200025704644 [0,1,0,0,0,0|3,0,0]=4 1166 B11R1.159 CN([13CH3])c1cccc(c1F)Cl 2230a_100020633735_200025704644 [0,1,0,0,0,0|3,0,0]=4 1167 B11R1.159 CN([13CH3])c1cccc(c1F)Cl 269982a_100020633735_200025704644 [0,1,0,0,0,0|3,0,0]=4 1168 B11R1.159 CN([13CH3])c1cccc(c1F)Cl 34a_100020633735_200025704644 [0,1,0,0,0,0|3,0,0]=4 1169 B11R1.159 CN([13CH3])c1cccc(c1F)Cl 38a_100020633735_200025704644 [0,1,0,0,0,0|3,0,0]=4 1170 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [0,1,0,0,0,0|2,0,0]=3 1171 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [0,1,0,0,0,0|1,0,0]=2 1172 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [0,1,0,0,0,0|1,0,0]=2 1173 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [0,1,0,0,0,0|1,0,0]=2 1174 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [0,1,0,0,0,0|1,0,0]=2 1175 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [0,1,0,0,0,0|1,0,0]=2 1176 B11R1.159 Cc1c(cccc1N(C)C)Cl 2230a_100020606106_200000210301 [0,1,0,0,0,0|3,0,0]=4 1177 B11R1.159 Cc1c(cccc1N(C)C)Cl 269982a_100020606106_200000210301 [0,1,0,0,0,0|3,0,0]=4 1178 B11R1.159 Cc1c(cccc1N(C)C)Cl 34a_100020606106_200000210301 [0,1,0,0,0,0|3,0,0]=4 1179 B11R1.159 Cc1c(cccc1N(C)C)Cl 38a_100020606106_200000210301 [0,1,0,0,0,0|3,0,0]=4 1180 B11R1.159 Cc1c(cccc1N(C)[13CH3])Cl 2230a_100020606106_200025704644 [0,1,0,0,0,0|3,0,0]=4 1181 B11R1.159 Cc1c(cccc1N(C)[13CH3])Cl 269982a_100020606106_200025704644 [0,1,0,0,0,0|3,0,0]=4 1182 B11R1.159 Cc1c(cccc1N(C)[13CH3])Cl 34a_100020606106_200025704644 [0,1,0,0,0,0|3,0,0]=4 1183 B11R1.159 Cc1c(cccc1N(C)[13CH3])Cl 38a_100020606106_200025704644 [0,1,0,0,0,0|3,0,0]=4 1184 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [0,1,0,0,0,0|0,0,0]=1 1185 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,1,0,0,0,0|0,0,0]=1 1186 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [0,1,0,0,0,0|0,0,0]=1 1187 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [0,1,0,0,0,0|0,0,0]=1 1188 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [0,1,0,0,0,0|0,0,0]=1 1189 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [0,1,0,0,0,0|1,0,0]=2 1190 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [0,1,0,0,0,0|0,0,0]=1 1191 B11R1.159 Cc1nccc(c1Cl)N(C)C 27a_100102631434_100000698670 [0,1,0,0,0,0|3,0,0]=4 1192 B11R1.159 Cc1nccc(c1F)N(C)C 27a_100102631434_100009849794 [0,1,0,0,0,0|3,0,0]=4 1193 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [0,1,0,0,0,0|2,0,0]=3 1194 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [0,1,0,0,0,0|2,0,0]=3 1195 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [0,1,0,0,0,0|2,0,0]=3 1196 B11R1.159 NC(=O)c1ccnc(c1N)O 271570a_203496583355_100000080204 [0,1,0,0,0,0|3,0,0]=4 1197 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [0,1,0,0,0,0|1,0,0]=2 1198 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [0,1,0,0,0,0|1,0,0]=2 1199 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [0,1,0,0,0,0|1,0,0]=2 1200 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [0,1,0,0,0,0|1,0,0]=2 1201 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [0,1,0,0,0,0|1,0,0]=2 1202 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [0,1,0,0,0,0|1,0,0]=2 1203 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [0,1,0,0,0,0|1,0,0]=2 1204 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [0,1,0,0,0,0|1,0,0]=2 1205 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [0,1,0,0,0,0|1,0,0]=2 1206 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [0,1,0,0,0,0|1,0,0]=2 1207 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [0,1,0,0,0,0|1,0,0]=2 1208 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [0,1,0,0,0,0|1,0,0]=2 1209 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [0,1,0,0,0,0|1,0,0]=2 1210 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [0,1,0,0,0,0|1,0,0]=2 1211 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [0,1,0,0,0,0|1,0,0]=2 1212 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [0,1,0,0,0,0|1,0,0]=2 1213 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [0,1,0,0,0,0|1,0,0]=2 1214 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [0,1,0,0,0,0|1,0,0]=2 1215 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [0,1,0,0,0,0|1,0,0]=2 1216 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [0,1,0,0,0,0|1,0,0]=2 1217 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [0,1,0,0,0,0|1,0,0]=2 1218 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [0,1,0,0,0,0|1,0,0]=2 1219 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [0,1,0,0,0,0|1,0,0]=2 1220 B11R1.167 C=C(C)c1cc(=O)[nH]cc1F 271570a_100000694244_100009817642 [0,1,0,0,0,0|3,0,0]=4 1221 B11R1.167 C=C(C)c1cc(c[nH]c1=O)F 271570a_100000694244_100009817720 [0,1,0,0,0,0|3,0,0]=4 1222 B11R1.167 C=C(C)c1cc(ccc1Br)Br 271570a_100000694244_100011483371 [0,1,0,0,0,0|2,0,0]=3 1223 B11R1.167 C=C(C)c1cc(ccc1Br)C 271570a_100000694244_100012353751 [0,1,0,0,0,0|1,0,0]=2 1224 B11R1.167 C=C(C)c1cc(ccc1Br)Cl 271570a_100000694244_100012339723 [0,1,0,0,0,0|2,0,0]=3 1225 B11R1.167 C=C(C)c1cc(ccc1Br)F 271570a_100000694244_100011217576 [0,1,0,0,0,0|2,0,0]=3 1226 B11R1.167 C=C(C)c1cc(ccc1Br)N 271570a_100000694244_100000750459 [0,1,0,0,0,0|2,0,0]=3 1227 B11R1.167 C=C(C)c1cc(ccc1Br)O 271570a_100000694244_100012339312 [0,1,0,0,0,0|2,0,0]=3 1228 B11R1.167 C=C(C)c1cc(ccc1C)Br 271570a_100000694244_100011344865 [0,1,0,0,0,0|2,0,0]=3 1229 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [0,1,0,0,0,0|1,0,0]=2 1230 B11R1.167 C=C(C)c1cc(ccc1C)Cl 271570a_100000694244_100011263213 [0,1,0,0,0,0|2,0,0]=3 1231 B11R1.167 C=C(C)c1cc(ccc1C)F 271570a_100000694244_100011218078 [0,1,0,0,0,0|2,0,0]=3 1232 B11R1.167 C=C(C)c1cc(ccc1C)N 271570a_100000694244_100000736455 [0,1,0,0,0,0|2,0,0]=3 1233 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [0,1,0,0,0,0|2,0,0]=3 1234 B11R1.167 C=C(C)c1cc(ccc1Cl)Br 271570a_100000694244_100011772130 [0,1,0,0,0,0|2,0,0]=3 1235 B11R1.167 C=C(C)c1cc(ccc1Cl)C 271570a_100000694244_100012356289 [0,1,0,0,0,0|1,0,0]=2 1236 B11R1.167 C=C(C)c1cc(ccc1Cl)Cl 271570a_100000694244_100000707729 [0,1,0,0,0,0|2,0,0]=3 1237 B11R1.167 C=C(C)c1cc(ccc1Cl)F 271570a_100000694244_100011217299 [0,1,0,0,0,0|2,0,0]=3 1238 B11R1.167 C=C(C)c1cc(ccc1Cl)N 271570a_100000694244_100012360549 [0,1,0,0,0,0|2,0,0]=3 1239 B11R1.167 C=C(C)c1cc(ccc1Cl)O 271570a_100000694244_100000049588 [0,1,0,0,0,0|2,0,0]=3 1240 B11R1.167 C=C(C)c1cc(ccc1F)Br 271570a_100000694244_100011217312 [0,1,0,0,0,0|2,0,0]=3 1241 B11R1.167 C=C(C)c1cc(ccc1F)C 271570a_100000694244_100000736223 [0,1,0,0,0,0|1,0,0]=2 1242 B11R1.167 C=C(C)c1cc(ccc1F)Cl 271570a_100000694244_100011218116 [0,1,0,0,0,0|2,0,0]=3 1243 B11R1.167 C=C(C)c1cc(ccc1F)F 271570a_100000694244_100000750033 [0,1,0,0,0,0|2,0,0]=3 1244 B11R1.167 C=C(C)c1cc(ccc1F)N 271570a_100000694244_100000760356 [0,1,0,0,0,0|2,0,0]=3 1245 B11R1.167 C=C(C)c1cc(ccc1F)O 271570a_100000694244_100000693481 [0,1,0,0,0,0|2,0,0]=3 1246 B11R1.167 C=C(C)c1cc(ccc1N)Br 271570a_100000694244_100000187925 [0,1,0,0,0,0|2,0,0]=3 1247 B11R1.167 C=C(C)c1cc(ccc1N)C 271570a_100000694244_100000210942 [0,1,0,0,0,0|1,0,0]=2 1248 B11R1.167 C=C(C)c1cc(ccc1N)Cl 271570a_100000694244_100000761889 [0,1,0,0,0,0|2,0,0]=3 1249 B11R1.167 C=C(C)c1cc(ccc1N)F 271570a_100000694244_100000760547 [0,1,0,0,0,0|2,0,0]=3 1250 B11R1.167 C=C(C)c1cc(ccc1N)N 271570a_100000694244_100011534242 [0,1,0,0,0,0|2,0,0]=3 1251 B11R1.167 C=C(C)c1cc(ccc1N)O 271570a_100000694244_100012001276 [0,1,0,0,0,0|2,0,0]=3 1252 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [0,1,0,0,0,0|2,0,0]=3 1253 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [0,1,0,0,0,0|1,0,0]=2 1254 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [0,1,0,0,0,0|2,0,0]=3 1255 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [0,1,0,0,0,0|2,0,0]=3 1256 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [0,1,0,0,0,0|2,0,0]=3 1257 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [0,1,0,0,0,0|2,0,0]=3 1258 B11R1.167 C=C(C)c1cc(cnc1Br)N 271570a_100000694244_100010201102 [0,1,0,0,0,0|3,0,0]=4 1259 B11R1.167 C=C(C)c1cc(cnc1C)Br 271570a_100000694244_200010090566 [0,1,0,0,0,0|3,0,0]=4 1260 B11R1.167 C=C(C)c1cc(cnc1C)C 271570a_100000694244_100009817436 [0,1,0,0,0,0|2,0,0]=3 1261 B11R1.167 C=C(C)c1cc(cnc1C)F 271570a_100000694244_100009860710 [0,1,0,0,0,0|3,0,0]=4 1262 B11R1.167 C=C(C)c1cc(cnc1C)N 271570a_100000694244_100011998591 [0,1,0,0,0,0|3,0,0]=4 1263 B11R1.167 C=C(C)c1cc(cnc1C)O 271570a_100000694244_100009819603 [0,1,0,0,0,0|3,0,0]=4 1264 B11R1.167 C=C(C)c1cc(cnc1Cl)Br 271570a_100000694244_100009814771 [0,1,0,0,0,0|3,0,0]=4 1265 B11R1.167 C=C(C)c1cc(cnc1Cl)C 271570a_100000694244_100010210167 [0,1,0,0,0,0|2,0,0]=3 1266 B11R1.167 C=C(C)c1cc(cnc1Cl)Cl 271570a_100000694244_200000062399 [0,1,0,0,0,0|3,0,0]=4 1267 B11R1.167 C=C(C)c1cc(cnc1Cl)N 271570a_100000694244_100010253917 [0,1,0,0,0,0|3,0,0]=4 1268 B11R1.167 C=C(C)c1cc(cnc1F)Br 271570a_100000694244_100010172738 [0,1,0,0,0,0|3,0,0]=4 1269 B11R1.167 C=C(C)c1cc(cnc1F)C 271570a_100000694244_100000049784 [0,1,0,0,0,0|2,0,0]=3 1270 B11R1.167 C=C(C)c1cc(cnc1F)Cl 271570a_100000694244_100010188783 [0,1,0,0,0,0|3,0,0]=4 1271 B11R1.167 C=C(C)c1cc(cnc1F)F 271570a_100000694244_100009820768 [0,1,0,0,0,0|3,0,0]=4 1272 B11R1.167 C=C(C)c1cc(cnc1F)N 271570a_100000694244_100009840397 [0,1,0,0,0,0|3,0,0]=4 1273 B11R1.167 C=C(C)c1cc(cnc1F)O 271570a_100000694244_100009817267 [0,1,0,0,0,0|3,0,0]=4 1274 B11R1.167 C=C(C)c1cc(cnc1N)Br 271570a_100000694244_100000760472 [0,1,0,0,0,0|3,0,0]=4 1275 B11R1.167 C=C(C)c1cc(cnc1N)C 271570a_100000694244_100000049664 [0,1,0,0,0,0|2,0,0]=3 1276 B11R1.167 C=C(C)c1cc(cnc1N)Cl 271570a_100000694244_100000050159 [0,1,0,0,0,0|3,0,0]=4 1277 B11R1.167 C=C(C)c1cc(cnc1N)F 271570a_100000694244_100009814671 [0,1,0,0,0,0|3,0,0]=4 1278 B11R1.167 C=C(C)c1cc(cnc1N)N 271570a_100000694244_200011934315 [0,1,0,0,0,0|3,0,0]=4 1279 B11R1.167 C=C(C)c1cc(cnc1O)Br 271570a_100000694244_100010197142 [0,1,0,0,0,0|3,0,0]=4 1280 B11R1.167 C=C(C)c1cc(cnc1O)C 271570a_100000694244_100000049931 [0,1,0,0,0,0|2,0,0]=3 1281 B11R1.167 C=C(C)c1cc(cnc1O)Cl 271570a_100000694244_100010188700 [0,1,0,0,0,0|3,0,0]=4 1282 B11R1.167 C=C(C)c1cc(n[nH]c1=O)C 271570a_100000694244_100009819039 [0,1,0,0,0,0|3,0,0]=4 1283 B11R1.167 C=C(C)c1cc(ncc1Br)Br 271570a_100000694244_100010171693 [0,1,0,0,0,0|3,0,0]=4 1284 B11R1.167 C=C(C)c1cc(ncc1Br)Cl 271570a_100000694244_100009815598 [0,1,0,0,0,0|3,0,0]=4 1285 B11R1.167 C=C(C)c1cc(ncc1C)Br 271570a_100000694244_100010067628 [0,1,0,0,0,0|3,0,0]=4 1286 B11R1.167 C=C(C)c1cc(ncc1C)C 271570a_100000694244_100009862788 [0,1,0,0,0,0|2,0,0]=3 1287 B11R1.167 C=C(C)c1cc(ncc1C)Cl 271570a_100000694244_100010068021 [0,1,0,0,0,0|3,0,0]=4 1288 B11R1.167 C=C(C)c1cc(ncc1C)F 271570a_100000694244_100000049870 [0,1,0,0,0,0|3,0,0]=4 1289 B11R1.167 C=C(C)c1cc(ncc1C)N 271570a_100000694244_100009819938 [0,1,0,0,0,0|3,0,0]=4 1290 B11R1.167 C=C(C)c1cc(ncc1C)O 271570a_100000694244_100009831917 [0,1,0,0,0,0|3,0,0]=4 1291 B11R1.167 C=C(C)c1cc(ncc1Cl)Br 271570a_100000694244_100010223331 [0,1,0,0,0,0|3,0,0]=4 1292 B11R1.167 C=C(C)c1cc(ncc1Cl)Cl 271570a_100000694244_100010172835 [0,1,0,0,0,0|3,0,0]=4 1293 B11R1.167 C=C(C)c1cc(ncc1Cl)F 271570a_100000694244_100009892587 [0,1,0,0,0,0|3,0,0]=4 1294 B11R1.167 C=C(C)c1cc(ncc1Cl)N 271570a_100000694244_100010134119 [0,1,0,0,0,0|3,0,0]=4 1295 B11R1.167 C=C(C)c1cc(ncc1F)Br 271570a_100000694244_100010193852 [0,1,0,0,0,0|3,0,0]=4 1296 B11R1.167 C=C(C)c1cc(ncc1F)C 271570a_100000694244_100009867690 [0,1,0,0,0,0|2,0,0]=3 1297 B11R1.167 C=C(C)c1cc(ncc1F)Cl 271570a_100000694244_100000708277 [0,1,0,0,0,0|3,0,0]=4 1298 B11R1.167 C=C(C)c1cc(ncc1F)F 271570a_100000694244_100010233071 [0,1,0,0,0,0|3,0,0]=4 1299 B11R1.167 C=C(C)c1cc(ncc1F)N 271570a_100000694244_100015713587 [0,1,0,0,0,0|3,0,0]=4 1300 B11R1.167 C=C(C)c1cc(ncc1N)Cl 271570a_100000694244_100000050123 [0,1,0,0,0,0|3,0,0]=4 1301 B11R1.167 C=C(C)c1cc(ncc1O)C 271570a_100000694244_100009843476 [0,1,0,0,0,0|2,0,0]=3 1302 B11R1.167 C=C(C)c1cc(ncc1O)Cl 271570a_100000694244_100000698892 [0,1,0,0,0,0|3,0,0]=4 1303 B11R1.167 C=C(C)c1cn(ccc1=O)C 271570a_100000694244_100010750718 [0,1,0,0,0,0|2,0,0]=3 1304 B11R1.167 C=C(C)c1nc(c[nH]c1=O)C 271570a_100000694244_100009858157 [0,1,0,0,0,0|3,0,0]=4 1305 B11R1.167 C=C(C)c1nc(ccc1Br)N 271570a_100000694244_100010192275 [0,1,0,0,0,0|3,0,0]=4 1306 B11R1.167 C=C(C)c1nc(ccc1C)C 271570a_100000694244_100009854376 [0,1,0,0,0,0|2,0,0]=3 1307 B11R1.167 C=C(C)c1nc(ccc1C)N 271570a_100000694244_100000126722 [0,1,0,0,0,0|3,0,0]=4 1308 B11R1.167 C=C(C)c1nc(ccc1F)C 271570a_100000694244_100009817602 [0,1,0,0,0,0|2,0,0]=3 1309 B11R1.167 C=C(C)c1nc(ccc1F)Cl 271570a_100000694244_100010136221 [0,1,0,0,0,0|3,0,0]=4 1310 B11R1.167 C=C(C)c1nc(ccc1F)F 271570a_100000694244_100010997973 [0,1,0,0,0,0|3,0,0]=4 1311 B11R1.167 C=C(C)c1nc(ccc1F)N 271570a_100000694244_100010892222 [0,1,0,0,0,0|3,0,0]=4 1312 B11R1.167 C=C(C)c1nc(ccc1N)Br 271570a_100000694244_100010168765 [0,1,0,0,0,0|3,0,0]=4 1313 B11R1.167 C=C(C)c1nc(ccc1N)C 271570a_100000694244_100000685570 [0,1,0,0,0,0|2,0,0]=3 1314 B11R1.167 C=C(C)c1nc(ccc1N)Cl 271570a_100000694244_100010233647 [0,1,0,0,0,0|3,0,0]=4 1315 B11R1.167 C=C(C)c1nc(ccc1N)F 271570a_100000694244_100009879877 [0,1,0,0,0,0|3,0,0]=4 1316 B11R1.167 C=C(C)c1nc(ccc1N)N 271570a_100000694244_200009884323 [0,1,0,0,0,0|3,0,0]=4 1317 B11R1.167 C=C(C)c1nc(ccc1O)Br 271570a_100000694244_100010253912 [0,1,0,0,0,0|3,0,0]=4 1318 B11R1.167 C=C(C)c1nc(ccc1O)C 271570a_100000694244_100000702858 [0,1,0,0,0,0|2,0,0]=3 1319 B11R1.167 C=C(C)c1nc(ccc1O)Cl 271570a_100000694244_100000696390 [0,1,0,0,0,0|3,0,0]=4 1320 B11R1.167 C=C(C)c1nc(ccc1O)F 271570a_100000694244_100010382442 [0,1,0,0,0,0|3,0,0]=4 1321 B11R1.167 C=C(C)c1nc(cnc1C)C 271570a_100000694244_100000211308 [0,1,0,0,0,0|3,0,0]=4 1322 B11R1.167 C=C(C)c1nc(cnc1N)C 271570a_100000694244_100009819049 [0,1,0,0,0,0|3,0,0]=4 1323 B11R1.167 C=C(C)c1nc(ncc1F)C 271570a_100000694244_100000059819 [0,1,0,0,0,0|3,0,0]=4 1324 B11R1.167 C=C(C)c1nc(ncc1N)C 271570a_100000694244_100009873743 [0,1,0,0,0,0|3,0,0]=4 1325 B11R1.167 CC(=O)C1=NC(=O)CC=C1Cl 1458a_100009855368_200000210301 [0,1,0,0,0,0|2,0,1]=4 1326 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,1,0,0,0,0|1,0,0]=2 1327 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,1,0,0,0,0|0,0,0]=1 1328 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,1,0,0,0,0|1,0,0]=2 1329 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,1,0,0,0,0|1,0,0]=2 1330 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,1,0,0,0,0|1,0,0]=2 1331 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,1,0,0,0,0|1,0,0]=2 1332 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,1,0,0,0,0|1,0,0]=2 1333 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,1,0,0,0,0|0,0,0]=1 1334 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,1,0,0,0,0|1,0,0]=2 1335 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,1,0,0,0,0|1,0,0]=2 1336 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,1,0,0,0,0|1,0,0]=2 1337 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,1,0,0,0,0|1,0,0]=2 1338 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,1,0,0,0,0|1,0,0]=2 1339 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,1,0,0,0,0|1,0,0]=2 1340 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,1,0,0,0,0|0,0,0]=1 1341 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,1,0,0,0,0|1,0,0]=2 1342 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,1,0,0,0,0|1,0,0]=2 1343 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,1,0,0,0,0|1,0,0]=2 1344 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,1,0,0,0,0|1,0,0]=2 1345 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,1,0,0,0,0|1,0,0]=2 1346 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,1,0,0,0,0|1,0,0]=2 1347 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,1,0,0,0,0|0,0,0]=1 1348 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,1,0,0,0,0|1,0,0]=2 1349 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,1,0,0,0,0|1,0,0]=2 1350 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,1,0,0,0,0|1,0,0]=2 1351 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,1,0,0,0,0|1,0,0]=2 1352 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,1,0,0,0,0|1,0,0]=2 1353 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,1,0,0,0,0|1,0,0]=2 1354 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,1,0,0,0,0|0,0,0]=1 1355 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,1,0,0,0,0|1,0,0]=2 1356 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,1,0,0,0,0|1,0,0]=2 1357 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,1,0,0,0,0|1,0,0]=2 1358 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,1,0,0,0,0|1,0,0]=2 1359 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,1,0,0,0,0|1,0,0]=2 1360 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,1,0,0,0,0|1,0,0]=2 1361 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,1,0,0,0,0|1,0,0]=2 1362 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,1,0,0,0,0|0,0,0]=1 1363 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,1,0,0,0,0|0,0,0]=1 1364 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,1,0,0,0,0|1,0,0]=2 1365 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,1,0,0,0,0|1,0,0]=2 1366 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,1,0,0,0,0|1,0,0]=2 1367 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,1,0,0,0,0|1,0,0]=2 1368 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,1,0,0,0,0|1,0,0]=2 1369 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,1,0,0,0,0|1,0,0]=2 1370 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,1,0,0,0,0|1,0,0]=2 1371 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [0,1,0,0,0,0|2,0,0]=3 1372 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [0,1,0,0,0,0|2,0,0]=3 1373 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [0,1,0,0,0,0|2,0,0]=3 1374 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,1,0,0,0,0|2,0,0]=3 1375 B11R1.167 CC(=O)c1cc(ncc1F)O 271570a_203496583355_100000697832 [0,1,0,0,0,0|2,0,0]=3 1376 B11R1.167 CC(=O)c1nc(ccc1F)O 271570a_203496583355_100009887703 [0,1,0,0,0,0|2,0,0]=3 1377 B11R1.167 CC(=O)c1nc(ncc1C)O 271570a_203496583355_100010687370 [0,1,0,0,0,0|3,0,0]=4 1378 B11R1.167 CC(C)c1cc(ccc1F)O 271570a_203496583355_200053017515 [0,1,0,0,0,0|2,0,1]=4 1379 B11R1.167 CC(C)c1cc(ccc1N)O 271570a_203496583355_100000694223 [0,1,0,0,0,0|2,0,1]=4 1380 B11R1.167 CC(C)c1cc(ccc1O)Br 271570a_203496583355_100010244561 [0,1,0,0,0,0|2,0,1]=4 1381 B11R1.167 CC(C)c1cc(ccc1O)O 271570a_203496583355_100000691460 [0,1,0,0,0,0|2,0,1]=4 1382 B11R1.167 CC(N)c1cc(ccc1O)F 271570a_203496583355_100012343209 [0,1,0,0,0,0|2,0,1]=4 1383 B11R1.167 CC(O)c1cc(ccc1F)O 271570a_203496583355_100011943926 [0,1,0,0,0,0|1,0,2]=4 1384 B11R1.167 CN(C)c1cc(ccc1Br)Cl 269982a_100020633006_200000210301 [0,1,0,0,0,0|3,0,0]=4 1385 B11R1.167 CN(C)c1cc(ccc1Br)Cl 34a_100020633006_200000210301 [0,1,0,0,0,0|3,0,0]=4 1386 B11R1.167 CN(C)c1cc(ccc1Br)F 2230a_100020633008_200000210301 [0,1,0,0,0,0|3,0,0]=4 1387 B11R1.167 CN(C)c1cc(ccc1Br)F 269982a_100020633008_200000210301 [0,1,0,0,0,0|3,0,0]=4 1388 B11R1.167 CN(C)c1cc(ccc1Br)F 34a_100020633008_200000210301 [0,1,0,0,0,0|3,0,0]=4 1389 B11R1.167 CN(C)c1cc(ccc1Cl)Br 269982a_100011772073_200000210301 [0,1,0,0,0,0|3,0,0]=4 1390 B11R1.167 CN(C)c1cc(ccc1Cl)Br 34a_100011772073_200000210301 [0,1,0,0,0,0|3,0,0]=4 1391 B11R1.167 CN(C)c1cc(ccc1Cl)Cl 269982a_100000742562_200000210301 [0,1,0,0,0,0|3,0,0]=4 1392 B11R1.167 CN(C)c1cc(ccc1Cl)Cl 34a_100000742562_200000210301 [0,1,0,0,0,0|3,0,0]=4 1393 B11R1.167 CN(C)c1cc(ccc1F)Br 2230a_100011314990_200000210301 [0,1,0,0,0,0|3,0,0]=4 1394 B11R1.167 CN(C)c1cc(ccc1F)Br 269982a_100011314990_200000210301 [0,1,0,0,0,0|3,0,0]=4 1395 B11R1.167 CN(C)c1cc(ccc1F)Br 34a_100011314990_200000210301 [0,1,0,0,0,0|3,0,0]=4 1396 B11R1.167 CN(C)c1cc(ccc1F)Br 38a_100011314990_200000210301 [0,1,0,0,0,0|3,0,0]=4 1397 B11R1.167 CN(C)c1cc(ccc1F)O 271570a_203496583355_100010288836 [0,1,0,0,0,0|3,0,0]=4 1398 B11R1.167 CN(C)c1cc(ccc1O)O 271570a_203496583355_200010083878 [0,1,0,0,0,0|3,0,0]=4 1399 B11R1.167 CN([13CH3])c1cc(ccc1Br)Cl 269982a_100020633006_200025704644 [0,1,0,0,0,0|3,0,0]=4 1400 B11R1.167 CN([13CH3])c1cc(ccc1Br)Cl 34a_100020633006_200025704644 [0,1,0,0,0,0|3,0,0]=4 1401 B11R1.167 CN([13CH3])c1cc(ccc1Br)F 2230a_100020633008_200025704644 [0,1,0,0,0,0|3,0,0]=4 1402 B11R1.167 CN([13CH3])c1cc(ccc1Br)F 269982a_100020633008_200025704644 [0,1,0,0,0,0|3,0,0]=4 1403 B11R1.167 CN([13CH3])c1cc(ccc1Br)F 34a_100020633008_200025704644 [0,1,0,0,0,0|3,0,0]=4 1404 B11R1.167 CN([13CH3])c1cc(ccc1Cl)Br 269982a_100011772073_200025704644 [0,1,0,0,0,0|3,0,0]=4 1405 B11R1.167 CN([13CH3])c1cc(ccc1Cl)Br 34a_100011772073_200025704644 [0,1,0,0,0,0|3,0,0]=4 1406 B11R1.167 CN([13CH3])c1cc(ccc1Cl)Cl 269982a_100000742562_200025704644 [0,1,0,0,0,0|3,0,0]=4 1407 B11R1.167 CN([13CH3])c1cc(ccc1Cl)Cl 34a_100000742562_200025704644 [0,1,0,0,0,0|3,0,0]=4 1408 B11R1.167 CN([13CH3])c1cc(ccc1F)Br 2230a_100011314990_200025704644 [0,1,0,0,0,0|3,0,0]=4 1409 B11R1.167 CN([13CH3])c1cc(ccc1F)Br 269982a_100011314990_200025704644 [0,1,0,0,0,0|3,0,0]=4 1410 B11R1.167 CN([13CH3])c1cc(ccc1F)Br 34a_100011314990_200025704644 [0,1,0,0,0,0|3,0,0]=4 1411 B11R1.167 CN([13CH3])c1cc(ccc1F)Br 38a_100011314990_200025704644 [0,1,0,0,0,0|3,0,0]=4 1412 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [0,1,0,0,0,0|1,0,2]=4 1413 B11R1.167 Cc1cc(c(cn1)F)N(C)C 27a_100102631434_100009867690 [0,1,0,0,0,0|3,0,0]=4 1414 B11R1.167 Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_200010883979 [0,1,0,0,0,0|2,0,1]=4 1415 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [0,1,0,0,0,0|1,0,0]=2 1416 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,1,0,0,0,0|0,0,0]=1 1417 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,1,0,0,0,0|0,0,0]=1 1418 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,1,0,0,0,0|0,0,0]=1 1419 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,1,0,0,0,0|0,0,0]=1 1420 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,1,0,0,0,0|0,0,0]=1 1421 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,1,0,0,0,0|0,0,0]=1 1422 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [0,1,0,0,0,0|2,0,0]=3 1423 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,1,0,0,0,0|1,0,0]=2 1424 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,1,0,0,0,0|1,0,0]=2 1425 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,1,0,0,0,0|1,0,0]=2 1426 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,1,0,0,0,0|1,0,0]=2 1427 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,1,0,0,0,0|1,0,0]=2 1428 B11R1.167 Cc1ccc(cc1N(C)C)Br 2230a_100020629602_200000210301 [0,1,0,0,0,0|3,0,0]=4 1429 B11R1.167 Cc1ccc(cc1N(C)C)Br 269982a_100020629602_200000210301 [0,1,0,0,0,0|3,0,0]=4 1430 B11R1.167 Cc1ccc(cc1N(C)C)Br 34a_100020629602_200000210301 [0,1,0,0,0,0|3,0,0]=4 1431 B11R1.167 Cc1ccc(cc1N(C)C)Br 38a_100020629602_200000210301 [0,1,0,0,0,0|3,0,0]=4 1432 B11R1.167 Cc1ccc(cc1N(C)C)Cl 2230a_100000221440_200000210301 [0,1,0,0,0,0|3,0,0]=4 1433 B11R1.167 Cc1ccc(cc1N(C)C)Cl 269982a_100000221440_200000210301 [0,1,0,0,0,0|3,0,0]=4 1434 B11R1.167 Cc1ccc(cc1N(C)C)Cl 34a_100000221440_200000210301 [0,1,0,0,0,0|3,0,0]=4 1435 B11R1.167 Cc1ccc(cc1N(C)C)Cl 38a_100000221440_200000210301 [0,1,0,0,0,0|3,0,0]=4 1436 B11R1.167 Cc1ccc(cc1N(C)C)F 2230a_114849113390_200000210301 [0,1,0,0,0,0|3,0,0]=4 1437 B11R1.167 Cc1ccc(cc1N(C)C)F 269982a_114849113390_200000210301 [0,1,0,0,0,0|3,0,0]=4 1438 B11R1.167 Cc1ccc(cc1N(C)C)F 34a_114849113390_200000210301 [0,1,0,0,0,0|3,0,0]=4 1439 B11R1.167 Cc1ccc(cc1N(C)C)F 38a_114849113390_200000210301 [0,1,0,0,0,0|3,0,0]=4 1440 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 2230a_100020629602_200025704644 [0,1,0,0,0,0|3,0,0]=4 1441 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 269982a_100020629602_200025704644 [0,1,0,0,0,0|3,0,0]=4 1442 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 34a_100020629602_200025704644 [0,1,0,0,0,0|3,0,0]=4 1443 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 38a_100020629602_200025704644 [0,1,0,0,0,0|3,0,0]=4 1444 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 2230a_100000221440_200025704644 [0,1,0,0,0,0|3,0,0]=4 1445 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 269982a_100000221440_200025704644 [0,1,0,0,0,0|3,0,0]=4 1446 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 34a_100000221440_200025704644 [0,1,0,0,0,0|3,0,0]=4 1447 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 38a_100000221440_200025704644 [0,1,0,0,0,0|3,0,0]=4 1448 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 2230a_114849113390_200025704644 [0,1,0,0,0,0|3,0,0]=4 1449 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 269982a_114849113390_200025704644 [0,1,0,0,0,0|3,0,0]=4 1450 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 34a_114849113390_200025704644 [0,1,0,0,0,0|3,0,0]=4 1451 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 38a_114849113390_200025704644 [0,1,0,0,0,0|3,0,0]=4 1452 B11R1.167 Cc1cnc(c(c1)N(C)C)F 27a_100102631434_100009820679 [0,1,0,0,0,0|3,0,0]=4 1453 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [0,1,0,0,0,0|2,0,0]=3 1454 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [0,1,0,0,0,0|2,0,0]=3 1455 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [0,1,0,0,0,0|2,0,0]=3 1456 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [0,1,0,0,0,0|2,0,0]=3 1457 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [0,1,0,0,0,0|2,0,0]=3 1458 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [0,1,0,0,0,0|2,0,0]=3 1459 B11R1.167 NC(=O)c1cc(cnc1N)O 271570a_203496583355_100000701294 [0,1,0,0,0,0|3,0,0]=4 1460 B11R1.167 NC(=O)c1cc(cnc1O)F 271570a_203496583355_100012183597 [0,1,0,0,0,0|3,0,0]=4 1461 B11R1.167 NC(=O)c1cc(ncc1F)O 271570a_203496583355_100015943597 [0,1,0,0,0,0|3,0,0]=4 1462 B11R1.167 NC(=O)c1cc(ncc1N)O 271570a_203496583355_100012003536 [0,1,0,0,0,0|3,0,0]=4 1463 B11R1.167 NC(=O)c1nc(ccc1N)O 271570a_203496583355_100000093116 [0,1,0,0,0,0|3,0,0]=4 1464 B11R1.167 [13CH3]C(=O)C1=NC(=O)CC=C1Cl 1458a_100009855368_200025704644 [0,1,0,0,0,0|2,0,1]=4 1465 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,1,0,0,0,0|1,0,0]=2 1466 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,1,0,0,0,0|1,0,0]=2 1467 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,1,0,0,0,0|1,0,0]=2 1468 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,1,0,0,0,0|1,0,0]=2 1469 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,1,0,0,0,0|1,0,0]=2 1470 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,1,0,0,0,0|1,0,0]=2 1471 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,1,0,0,0,0|1,0,0]=2 1472 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,1,0,0,0,0|1,0,0]=2 1473 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,1,0,0,0,0|1,0,0]=2 1474 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,1,0,0,0,0|1,0,0]=2 1475 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,1,0,0,0,0|1,0,0]=2 1476 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,1,0,0,0,0|1,0,0]=2 1477 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,1,0,0,0,0|1,0,0]=2 1478 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,1,0,0,0,0|1,0,0]=2 1479 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,1,0,0,0,0|1,0,0]=2 1480 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,1,0,0,0,0|1,0,0]=2 1481 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,1,0,0,0,0|1,0,0]=2 1482 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,1,0,0,0,0|1,0,0]=2 1483 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,1,0,0,0,0|1,0,0]=2 1484 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,1,0,0,0,0|1,0,0]=2 1485 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,1,0,0,0,0|1,0,0]=2 1486 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,1,0,0,0,0|1,0,0]=2 1487 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,1,0,0,0,0|1,0,0]=2 1488 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,1,0,0,0,0|1,0,0]=2 1489 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,1,0,0,0,0|1,0,0]=2 1490 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [0,1,0,0,0,0|0,0,1]=2 1491 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [0,1,0,0,0,0|0,0,1]=2 1492 B11R1.266 C=C(C)c1cc(ccn1)C#N 271570a_100000694244_100011291639 [0,1,0,0,0,0|2,0,1]=4 1493 B11R1.266 C=C(C)c1cc(ccn1)C=O 271570a_100000694244_100011290808 [0,1,0,0,0,0|2,0,1]=4 1494 B11R1.266 C=C(C)c1cc(ccn1)CC 271570a_100000694244_100009817561 [0,1,0,0,0,0|2,0,0]=3 1495 B11R1.266 C=C(C)c1cc(ccn1)CO 271570a_100000694244_100009814636 [0,1,0,0,0,0|2,0,0]=3 1496 B11R1.266 C=C(C)c1cc(ccn1)NC 271570a_100000694244_100009869472 [0,1,0,0,0,0|2,0,0]=3 1497 B11R1.266 C=C(C)c1cc(ccn1)OC 271570a_100000694244_100011216251 [0,1,0,0,0,0|2,0,0]=3 1498 B11R1.266 C=C(C)c1cc(ccn1)SC 271570a_100000694244_100010883326 [0,1,0,0,0,0|2,0,0]=3 1499 B11R1.266 C=C(C)c1cc(cnn1)OC 271570a_100000694244_100000087634 [0,1,0,0,0,0|3,0,0]=4 1500 B11R1.266 C=C(C)c1cc(ncn1)CC 271570a_100000694244_100000744278 [0,1,0,0,0,0|3,0,0]=4 1501 B11R1.266 C=C(C)c1cc(ncn1)CO 271570a_100000694244_100000731546 [0,1,0,0,0,0|3,0,0]=4 1502 B11R1.266 C=C(C)c1cc(ncn1)NC 271570a_100000694244_100000756605 [0,1,0,0,0,0|3,0,0]=4 1503 B11R1.266 C=C(C)c1cc(ncn1)OC 271570a_100000694244_100012187182 [0,1,0,0,0,0|3,0,0]=4 1504 B11R1.266 C=C(C)c1cc(ncn1)SC 271570a_100000694244_100011443430 [0,1,0,0,0,0|3,0,0]=4 1505 B11R1.266 C=C(C)c1cccc(c1)C#N 271570a_100000694244_100000189340 [0,1,0,0,0,0|1,0,1]=3 1506 B11R1.266 C=C(C)c1cccc(c1)C=O 271570a_100000694244_100000014684 [0,1,0,0,0,0|1,0,1]=3 1507 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [0,1,0,0,0,0|1,0,0]=2 1508 B11R1.266 C=C(C)c1cccc(c1)CF 271570a_100000694244_100010878472 [0,1,0,0,0,0|1,0,0]=2 1509 B11R1.266 C=C(C)c1cccc(c1)CN 271570a_100000694244_100000106179 [0,1,0,0,0,0|1,0,0]=2 1510 B11R1.266 C=C(C)c1cccc(c1)CO 271570a_100000694244_100000687537 [0,1,0,0,0,0|1,0,0]=2 1511 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [0,1,0,0,0,0|1,0,0]=2 1512 B11R1.266 C=C(C)c1cccc(c1)NN 271570a_100000694244_100000217339 [0,1,0,0,0,0|2,0,0]=3 1513 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [0,1,0,0,0,0|1,0,0]=2 1514 B11R1.266 C=C(C)c1cccc(c1)SC 271570a_100000694244_100011215954 [0,1,0,0,0,0|1,0,0]=2 1515 B11R1.266 C=C(C)c1cccc(c1)SC 62a_100012123953_200000210301 [0,1,0,0,0,0|1,0,0]=2 1516 B11R1.266 C=C(C)c1cccc(c1)SC 62a_200000210301_100012123953 [0,1,0,0,0,0|1,0,0]=2 1517 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_100012123953_200025704644 [0,1,0,0,0,0|1,0,0]=2 1518 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_200025704644_100012123953 [0,1,0,0,0,0|1,0,0]=2 1519 B11R1.266 C=C(C)c1cccc(n1)C#N 271570a_100000694244_100011934037 [0,1,0,0,0,0|2,0,1]=4 1520 B11R1.266 C=C(C)c1cccc(n1)C=O 271570a_100000694244_100000688028 [0,1,0,0,0,0|2,0,1]=4 1521 B11R1.266 C=C(C)c1cccc(n1)CC 271570a_100000694244_100009856026 [0,1,0,0,0,0|2,0,0]=3 1522 B11R1.266 C=C(C)c1cccc(n1)CN 271570a_100000694244_100016990191 [0,1,0,0,0,0|2,0,0]=3 1523 B11R1.266 C=C(C)c1cccc(n1)CO 271570a_100000694244_100000694195 [0,1,0,0,0,0|2,0,0]=3 1524 B11R1.266 C=C(C)c1cccc(n1)NC 271570a_100000694244_100000703281 [0,1,0,0,0,0|2,0,0]=3 1525 B11R1.266 C=C(C)c1cccc(n1)NN 271570a_100000694244_100009817029 [0,1,0,0,0,0|3,0,0]=4 1526 B11R1.266 C=C(C)c1cccc(n1)OC 271570a_100000694244_100000760917 [0,1,0,0,0,0|2,0,0]=3 1527 B11R1.266 C=C(C)c1cccc(n1)SC 271570a_100000694244_100011960944 [0,1,0,0,0,0|2,0,0]=3 1528 B11R1.266 C=C(C)c1ccnc(c1)C#N 271570a_100000694244_100000685610 [0,1,0,0,0,0|2,0,1]=4 1529 B11R1.266 C=C(C)c1ccnc(c1)C=O 271570a_100000694244_100011998288 [0,1,0,0,0,0|2,0,1]=4 1530 B11R1.266 C=C(C)c1ccnc(c1)CC 271570a_100000694244_100009820011 [0,1,0,0,0,0|2,0,0]=3 1531 B11R1.266 C=C(C)c1ccnc(c1)CN 271570a_100000694244_100000085674 [0,1,0,0,0,0|2,0,0]=3 1532 B11R1.266 C=C(C)c1ccnc(c1)CO 271570a_100000694244_100009819072 [0,1,0,0,0,0|2,0,0]=3 1533 B11R1.266 C=C(C)c1ccnc(c1)NC 271570a_100000694244_100009819592 [0,1,0,0,0,0|2,0,0]=3 1534 B11R1.266 C=C(C)c1ccnc(c1)NN 271570a_100000694244_100000764631 [0,1,0,0,0,0|3,0,0]=4 1535 B11R1.266 C=C(C)c1ccnc(c1)OC 271570a_100000694244_100000117307 [0,1,0,0,0,0|2,0,0]=3 1536 B11R1.266 C=C(C)c1ccnc(n1)NC 271570a_100000694244_100012000420 [0,1,0,0,0,0|3,0,0]=4 1537 B11R1.266 C=C(C)c1ccnc(n1)OC 271570a_100000694244_100000069072 [0,1,0,0,0,0|3,0,0]=4 1538 B11R1.266 C=C(C)c1ccnc(n1)SC 271570a_100000694244_100000032126 [0,1,0,0,0,0|3,0,0]=4 1539 B11R1.266 C=C(C)c1cncc(c1)C#N 271570a_100000694244_100000686085 [0,1,0,0,0,0|2,0,1]=4 1540 B11R1.266 C=C(C)c1cncc(c1)C=O 271570a_100000694244_100000687066 [0,1,0,0,0,0|2,0,1]=4 1541 B11R1.266 C=C(C)c1cncc(c1)CC 271570a_100000694244_200009819073 [0,1,0,0,0,0|2,0,0]=3 1542 B11R1.266 C=C(C)c1cncc(c1)CN 271570a_100000694244_100011249555 [0,1,0,0,0,0|2,0,0]=3 1543 B11R1.266 C=C(C)c1cncc(c1)CO 271570a_100000694244_100011259137 [0,1,0,0,0,0|2,0,0]=3 1544 B11R1.266 C=C(C)c1cncc(c1)NC 271570a_100000694244_100012184536 [0,1,0,0,0,0|2,0,0]=3 1545 B11R1.266 C=C(C)c1cncc(c1)NN 271570a_100000694244_100000727789 [0,1,0,0,0,0|3,0,0]=4 1546 B11R1.266 C=C(C)c1cncc(c1)OC 271570a_100000694244_100000684773 [0,1,0,0,0,0|2,0,0]=3 1547 B11R1.266 C=C(C)c1cncc(c1)SC 271570a_100000694244_100009816972 [0,1,0,0,0,0|2,0,0]=3 1548 B11R1.266 C=C(C)c1cncc(c1)SC 62a_200000210301_200009889500 [0,1,0,0,0,0|2,0,0]=3 1549 B11R1.266 C=C(C)c1cncc(c1)SC 62a_200009889500_200000210301 [0,1,0,0,0,0|2,0,0]=3 1550 B11R1.266 C=C(C)c1cncc(c1)S[13CH3] 62a_200009889500_200025704644 [0,1,0,0,0,0|2,0,0]=3 1551 B11R1.266 C=C(C)c1cncc(c1)S[13CH3] 62a_200025704644_200009889500 [0,1,0,0,0,0|2,0,0]=3 1552 B11R1.266 C=C(C)c1cncc(n1)CO 271570a_100000694244_100009853123 [0,1,0,0,0,0|3,0,0]=4 1553 B11R1.266 C=C(C)c1cncc(n1)NC 271570a_100000694244_100011529438 [0,1,0,0,0,0|3,0,0]=4 1554 B11R1.266 C=C(C)c1cncc(n1)OC 271570a_100000694244_100000756030 [0,1,0,0,0,0|3,0,0]=4 1555 B11R1.266 C=C(C)c1nccc(n1)CC 271570a_100000694244_100000100215 [0,1,0,0,0,0|3,0,0]=4 1556 B11R1.266 C=C(C)c1nccc(n1)NC 271570a_100000694244_100011649947 [0,1,0,0,0,0|3,0,0]=4 1557 B11R1.266 C=C(C)c1nccc(n1)OC 271570a_100000694244_100000182009 [0,1,0,0,0,0|3,0,0]=4 1558 B11R1.266 C=C(C)c1nccc(n1)SC 271570a_100000694244_100011650323 [0,1,0,0,0,0|3,0,0]=4 1559 B11R1.266 C=Cc1cc(ccn1)C(=O)C 271570a_100011290941_100000685609 [0,1,0,0,0,0|1,0,1]=3 1560 B11R1.266 C=Cc1cc(ccn1)C(=O)N 271570a_100011290941_100000229836 [0,1,0,0,0,0|2,0,1]=4 1561 B11R1.266 C=Cc1cccc(c1)C(=C)C 271570a_100011290941_100012123953 [0,1,0,0,0,0|1,0,1]=3 1562 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [0,1,0,0,0,0|0,0,1]=2 1563 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [0,1,0,0,0,0|0,0,1]=2 1564 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [0,1,0,0,0,0|1,0,1]=3 1565 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [0,1,0,0,0,0|0,0,1]=2 1566 B11R1.266 C=Cc1cccc(c1)C(C)C 271570a_100011290941_100011214899 [0,1,0,0,0,0|1,0,2]=4 1567 B11R1.266 C=Cc1cccc(c1)C(C)N 271570a_100011290941_100020642005 [0,1,0,0,0,0|1,0,2]=4 1568 B11R1.266 C=Cc1cccc(c1)C(C)O 271570a_100011290941_100000246457 [0,1,0,0,0,0|0,0,3]=4 1569 B11R1.266 C=Cc1cccc(c1)N(C)C 271570a_100011290941_100011215952 [0,1,0,0,0,0|2,0,1]=4 1570 B11R1.266 C=Cc1cccc(c1)S(=O)C 271570a_100011290941_100009816267 [0,1,0,0,0,0|1,0,1]=3 1571 B11R1.266 C=Cc1cccc(n1)C(=O)C 271570a_100011290941_100009816502 [0,1,0,0,0,0|1,0,1]=3 1572 B11R1.266 C=Cc1cccc(n1)C(=O)N 271570a_100011290941_100011834053 [0,1,0,0,0,0|2,0,1]=4 1573 B11R1.266 C=Cc1ccnc(c1)C(=O)C 271570a_100011290941_100000709912 [0,1,0,0,0,0|1,0,1]=3 1574 B11R1.266 C=Cc1ccnc(c1)C(=O)N 271570a_100011290941_100000229564 [0,1,0,0,0,0|2,0,1]=4 1575 B11R1.266 C=Cc1cncc(c1)C(=C)C 271570a_100011290941_200009889500 [0,1,0,0,0,0|2,0,1]=4 1576 B11R1.266 C=Cc1cncc(c1)C(=O)C 271570a_100011290941_100011216243 [0,1,0,0,0,0|1,0,1]=3 1577 B11R1.266 C=Cc1cncc(c1)C(=O)N 271570a_100011290941_100000162242 [0,1,0,0,0,0|2,0,1]=4 1578 B11R1.266 C=Cc1nccc(n1)C(=O)C 271570a_100011290941_100010643186 [0,1,0,0,0,0|2,0,1]=4 1579 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [0,1,0,0,0,0|1,0,0]=2 1580 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [0,1,0,0,0,0|1,0,0]=2 1581 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [0,1,0,0,0,0|0,0,1]=2 1582 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,1,0,0,0,0|0,0,0]=1 1583 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [0,1,0,0,0,0|0,0,0]=1 1584 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [0,1,0,0,0,0|0,0,0]=1 1585 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [0,1,0,0,0,0|0,0,0]=1 1586 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [0,1,0,0,0,0|0,0,0]=1 1587 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_100009816502_200025704644 [0,1,0,0,0,0|1,0,0]=2 1588 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100009816502 [0,1,0,0,0,0|1,0,0]=2 1589 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_100000685609_200025704644 [0,1,0,0,0,0|1,0,0]=2 1590 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000685609 [0,1,0,0,0,0|1,0,0]=2 1591 B11R1.266 CC(=O)c1ccnc(n1)S[13CH3] 62a_100010643186_200025704644 [0,1,0,0,0,0|2,0,0]=3 1592 B11R1.266 CC(=O)c1ccnc(n1)S[13CH3] 62a_200025704644_100010643186 [0,1,0,0,0,0|2,0,0]=3 1593 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [0,1,0,0,0,0|1,0,0]=2 1594 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [0,1,0,0,0,0|1,0,0]=2 1595 B11R1.266 CC(C)c1cc(ccn1)S[13CH3] 62a_100010237922_200025704644 [0,1,0,0,0,0|2,0,1]=4 1596 B11R1.266 CC(C)c1cc(ccn1)S[13CH3] 62a_200025704644_100010237922 [0,1,0,0,0,0|2,0,1]=4 1597 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 2230a_100000211879_200025704644 [0,1,0,0,0,0|1,0,1]=3 1598 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 34a_100000211879_200025704644 [0,1,0,0,0,0|1,0,1]=3 1599 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 7a_100000211879_200025704644 [0,1,0,0,0,0|1,0,1]=3 1600 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 34a_100000211816_200025704644 [0,1,0,0,0,0|1,0,1]=3 1601 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 7a_100000211816_200025704644 [0,1,0,0,0,0|1,0,1]=3 1602 B11R1.266 CC(C)c1cccc(c1)S[13CH3] 62a_100011214899_200025704644 [0,1,0,0,0,0|1,0,1]=3 1603 B11R1.266 CC(C)c1cccc(c1)S[13CH3] 62a_200025704644_100011214899 [0,1,0,0,0,0|1,0,1]=3 1604 B11R1.266 CC(C)c1cccc(n1)S[13CH3] 62a_100012318657_200025704644 [0,1,0,0,0,0|2,0,1]=4 1605 B11R1.266 CC(C)c1cccc(n1)S[13CH3] 62a_200025704644_100012318657 [0,1,0,0,0,0|2,0,1]=4 1606 B11R1.266 CC(C)c1ccnc(c1)S[13CH3] 62a_100010237925_200025704644 [0,1,0,0,0,0|2,0,1]=4 1607 B11R1.266 CC(C)c1ccnc(c1)S[13CH3] 62a_200025704644_100010237925 [0,1,0,0,0,0|2,0,1]=4 1608 B11R1.266 CC(C)c1cncc(c1)S[13CH3] 62a_200010191214_200025704644 [0,1,0,0,0,0|2,0,1]=4 1609 B11R1.266 CC(C)c1cncc(c1)S[13CH3] 62a_200025704644_200010191214 [0,1,0,0,0,0|2,0,1]=4 1610 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 34a_100000740644_200025704644 [0,1,0,0,0,0|1,0,1]=3 1611 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 7a_100000740644_200025704644 [0,1,0,0,0,0|1,0,1]=3 1612 B11R1.266 CC(N)c1cccc(c1)S[13CH3] 62a_100020642005_200025704644 [0,1,0,0,0,0|1,0,1]=3 1613 B11R1.266 CC(N)c1cccc(c1)S[13CH3] 62a_200025704644_100020642005 [0,1,0,0,0,0|1,0,1]=3 1614 B11R1.266 CC(N)c1cccc(n1)S[13CH3] 62a_200010173468_200025704644 [0,1,0,0,0,0|2,0,1]=4 1615 B11R1.266 CC(N)c1cccc(n1)S[13CH3] 62a_200025704644_200010173468 [0,1,0,0,0,0|2,0,1]=4 1616 B11R1.266 CC(O)c1cc(ccn1)S[13CH3] 62a_100000144657_200025704644 [0,1,0,0,0,0|1,0,2]=4 1617 B11R1.266 CC(O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000144657 [0,1,0,0,0,0|1,0,2]=4 1618 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 2230a_100011217120_200025704644 [0,1,0,0,0,0|0,0,2]=3 1619 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 34a_100011217120_200025704644 [0,1,0,0,0,0|0,0,2]=3 1620 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [0,1,0,0,0,0|0,0,2]=3 1621 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [0,1,0,0,0,0|0,0,2]=3 1622 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_100000246457_200025704644 [0,1,0,0,0,0|0,0,2]=3 1623 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_200025704644_100000246457 [0,1,0,0,0,0|0,0,2]=3 1624 B11R1.266 CC(O)c1cccc(n1)S[13CH3] 62a_100009820884_200025704644 [0,1,0,0,0,0|1,0,2]=4 1625 B11R1.266 CC(O)c1cccc(n1)S[13CH3] 62a_200025704644_100009820884 [0,1,0,0,0,0|1,0,2]=4 1626 B11R1.266 CC(O)c1cncc(c1)S[13CH3] 62a_100012351597_200025704644 [0,1,0,0,0,0|1,0,2]=4 1627 B11R1.266 CC(O)c1cncc(c1)S[13CH3] 62a_200025704644_100012351597 [0,1,0,0,0,0|1,0,2]=4 1628 B11R1.266 CCc1cc(ccn1)N(C)C 27a_100102631434_100009820011 [0,1,0,0,0,0|3,0,0]=4 1629 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,1,0,0,0,0|0,0,0]=1 1630 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,1,0,0,0,0|0,0,0]=1 1631 B11R1.266 CCc1ccnc(c1)N(C)C 27a_100102631434_100009817561 [0,1,0,0,0,0|3,0,0]=4 1632 B11R1.266 CN(C)c1cc(ccn1)S[13CH3] 62a_100012361627_200025704644 [0,1,0,0,0,0|3,0,0]=4 1633 B11R1.266 CN(C)c1cc(ccn1)S[13CH3] 62a_200025704644_100012361627 [0,1,0,0,0,0|3,0,0]=4 1634 B11R1.266 CN(C)c1cccc(c1)C#N 2230a_100000221292_200000210301 [0,1,0,0,0,0|2,0,1]=4 1635 B11R1.266 CN(C)c1cccc(c1)C#N 269982a_100000221292_200000210301 [0,1,0,0,0,0|2,0,1]=4 1636 B11R1.266 CN(C)c1cccc(c1)C#N 34a_100000221292_200000210301 [0,1,0,0,0,0|2,0,1]=4 1637 B11R1.266 CN(C)c1cccc(c1)C#N 7a_100000221292_200000210301 [0,1,0,0,0,0|2,0,1]=4 1638 B11R1.266 CN(C)c1cccc(c1)N[13CH3] 34a_100000209982_200025704644 [0,1,0,0,0,0|2,0,0]=3 1639 B11R1.266 CN(C)c1cccc(c1)O[13CH3] 34a_100000738785_200025704644 [0,1,0,0,0,0|2,0,0]=3 1640 B11R1.266 CN(C)c1cccc(c1)S[13CH3] 62a_100011215952_200025704644 [0,1,0,0,0,0|2,0,0]=3 1641 B11R1.266 CN(C)c1cccc(c1)S[13CH3] 62a_200025704644_100011215952 [0,1,0,0,0,0|2,0,0]=3 1642 B11R1.266 CN(C)c1cccc(n1)S[13CH3] 62a_100011960435_200025704644 [0,1,0,0,0,0|3,0,0]=4 1643 B11R1.266 CN(C)c1cccc(n1)S[13CH3] 62a_200025704644_100011960435 [0,1,0,0,0,0|3,0,0]=4 1644 B11R1.266 CN(C)c1ccnc(c1)CO 27a_100102631434_100000748867 [0,1,0,0,0,0|3,0,0]=4 1645 B11R1.266 CN(C)c1ccnc(c1)S[13CH3] 62a_100000766659_200025704644 [0,1,0,0,0,0|3,0,0]=4 1646 B11R1.266 CN(C)c1ccnc(c1)S[13CH3] 62a_200025704644_100000766659 [0,1,0,0,0,0|3,0,0]=4 1647 B11R1.266 CN(C)c1cncc(c1)S[13CH3] 62a_100012350714_200025704644 [0,1,0,0,0,0|3,0,0]=4 1648 B11R1.266 CN(C)c1cncc(c1)S[13CH3] 62a_200025704644_100012350714 [0,1,0,0,0,0|3,0,0]=4 1649 B11R1.266 CN([13CH3])c1cccc(c1)C#N 2230a_100000221292_200025704644 [0,1,0,0,0,0|2,0,1]=4 1650 B11R1.266 CN([13CH3])c1cccc(c1)C#N 269982a_100000221292_200025704644 [0,1,0,0,0,0|2,0,1]=4 1651 B11R1.266 CN([13CH3])c1cccc(c1)C#N 34a_100000221292_200025704644 [0,1,0,0,0,0|2,0,1]=4 1652 B11R1.266 CN([13CH3])c1cccc(c1)C#N 7a_100000221292_200025704644 [0,1,0,0,0,0|2,0,1]=4 1653 B11R1.266 CNc1cc(ccn1)C(C)C 27a_100102657272_100010237925 [0,1,0,0,0,0|2,0,1]=4 1654 B11R1.266 CNc1cc(cnn1)C(=O)N 27a_100102657272_100015785749 [0,1,0,0,0,0|3,0,0]=4 1655 B11R1.266 CNc1cc(ncn1)C(=O)N 27a_100102657272_100000725265 [0,1,0,0,0,0|3,0,0]=4 1656 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [0,1,0,0,0,0|1,0,0]=2 1657 B11R1.266 CNc1cccc(c1)C(C)C 2230a_100000211879_200000210301 [0,1,0,0,0,0|1,0,1]=3 1658 B11R1.266 CNc1cccc(c1)C(C)C 34a_100000211879_200000210301 [0,1,0,0,0,0|1,0,1]=3 1659 B11R1.266 CNc1cccc(c1)C(C)C 7a_100000211879_200000210301 [0,1,0,0,0,0|1,0,1]=3 1660 B11R1.266 CNc1cccc(c1)C(C)O 2230a_100011217120_200000210301 [0,1,0,0,0,0|0,0,2]=3 1661 B11R1.266 CNc1cccc(c1)C(C)O 34a_100011217120_200000210301 [0,1,0,0,0,0|0,0,2]=3 1662 B11R1.266 CNc1cccc(c1)C(F)F 2230a_100000058342_200000210301 [0,1,0,0,0,0|2,0,1]=4 1663 B11R1.266 CNc1cccc(c1)C(F)F 34a_100000058342_200000210301 [0,1,0,0,0,0|2,0,1]=4 1664 B11R1.266 CNc1cccc(c1)C(F)F 7a_100000058342_200000210301 [0,1,0,0,0,0|2,0,1]=4 1665 B11R1.266 CNc1cccc(c1)N(C)C 34a_100000209982_200000210301 [0,1,0,0,0,0|2,0,0]=3 1666 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [0,1,0,0,0,0|2,0,0]=3 1667 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [0,1,0,0,0,0|1,0,0]=2 1668 B11R1.266 CNc1cccc(n1)C(=O)N 27a_100102657272_100011834053 [0,1,0,0,0,0|2,0,0]=3 1669 B11R1.266 CNc1cccc(n1)C(C)C 27a_100102657272_100012318657 [0,1,0,0,0,0|2,0,1]=4 1670 B11R1.266 CNc1cccc(n1)C(C)O 27a_100102657272_100009820884 [0,1,0,0,0,0|1,0,2]=4 1671 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [0,1,0,0,0,0|2,0,0]=3 1672 B11R1.266 CNc1ccnc(c1)C(C)C 27a_100102657272_100010237922 [0,1,0,0,0,0|2,0,1]=4 1673 B11R1.266 CNc1ccnc(c1)C(C)O 27a_100102657272_100000144657 [0,1,0,0,0,0|1,0,2]=4 1674 B11R1.266 CNc1cncc(n1)C(=O)N 27a_100102657272_100000764846 [0,1,0,0,0,0|3,0,0]=4 1675 B11R1.266 CNc1nccc(n1)C(=O)C 27a_100102657272_100010643186 [0,1,0,0,0,0|2,0,0]=3 1676 B11R1.266 CNc1nccc(n1)C(=O)N 27a_100102657272_100000066158 [0,1,0,0,0,0|3,0,0]=4 1677 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [0,1,0,0,0,0|0,0,0]=1 1678 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [0,1,0,0,0,0|0,0,0]=1 1679 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [0,1,0,0,0,0|0,0,0]=1 1680 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [0,1,0,0,0,0|1,0,0]=2 1681 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [0,1,0,0,0,0|1,0,0]=2 1682 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [0,1,0,0,0,0|0,0,0]=1 1683 B11R1.266 COc1cccc(c1)C(=S)N 7a_100000738086_200000210301 [0,1,0,0,0,0|1,1,0]=3 1684 B11R1.266 COc1cccc(c1)C(C)C 34a_100000211816_200000210301 [0,1,0,0,0,0|1,0,1]=3 1685 B11R1.266 COc1cccc(c1)C(C)C 7a_100000211816_200000210301 [0,1,0,0,0,0|1,0,1]=3 1686 B11R1.266 COc1cccc(c1)C(C)N 34a_100000740644_200000210301 [0,1,0,0,0,0|1,0,1]=3 1687 B11R1.266 COc1cccc(c1)C(C)N 7a_100000740644_200000210301 [0,1,0,0,0,0|1,0,1]=3 1688 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [0,1,0,0,0,0|0,0,2]=3 1689 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [0,1,0,0,0,0|0,0,2]=3 1690 B11R1.266 COc1cccc(c1)N(C)C 2230a_100000219725_200000210301 [0,1,0,0,0,0|2,0,0]=3 1691 B11R1.266 COc1cccc(c1)N(C)C 269982a_100000219725_200000210301 [0,1,0,0,0,0|2,0,0]=3 1692 B11R1.266 COc1cccc(c1)N(C)C 34a_100000219725_200000210301 [0,1,0,0,0,0|2,0,0]=3 1693 B11R1.266 COc1cccc(c1)N(C)C 34a_100000738785_200000210301 [0,1,0,0,0,0|2,0,0]=3 1694 B11R1.266 COc1cccc(c1)N(C)[13CH3] 2230a_100000219725_200025704644 [0,1,0,0,0,0|2,0,0]=3 1695 B11R1.266 COc1cccc(c1)N(C)[13CH3] 269982a_100000219725_200025704644 [0,1,0,0,0,0|2,0,0]=3 1696 B11R1.266 COc1cccc(c1)N(C)[13CH3] 34a_100000219725_200025704644 [0,1,0,0,0,0|2,0,0]=3 1697 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [0,1,0,0,0,0|2,0,0]=3 1698 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [0,1,0,0,0,0|2,0,0]=3 1699 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [0,1,0,0,0,0|2,0,0]=3 1700 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200000210301 [0,1,0,0,0,0|3,0,0]=4 1701 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200000210301 [0,1,0,0,0,0|3,0,0]=4 1702 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_100009816267_200025704644 [0,1,0,0,0,0|1,0,0]=2 1703 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009816267 [0,1,0,0,0,0|1,0,0]=2 1704 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_100000685609_200000210301 [0,1,0,0,0,0|1,0,0]=2 1705 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_200000210301_100000685609 [0,1,0,0,0,0|1,0,0]=2 1706 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_100000229836_200000210301 [0,1,0,0,0,0|2,0,0]=3 1707 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_200000210301_100000229836 [0,1,0,0,0,0|2,0,0]=3 1708 B11R1.266 CSc1cc(ccn1)C(C)C 62a_100010237925_200000210301 [0,1,0,0,0,0|2,0,1]=4 1709 B11R1.266 CSc1cc(ccn1)C(C)C 62a_200000210301_100010237925 [0,1,0,0,0,0|2,0,1]=4 1710 B11R1.266 CSc1cc(ccn1)N(C)C 62a_100000766659_200000210301 [0,1,0,0,0,0|3,0,0]=4 1711 B11R1.266 CSc1cc(ccn1)N(C)C 62a_200000210301_100000766659 [0,1,0,0,0,0|3,0,0]=4 1712 B11R1.266 CSc1cc(cnn1)C(=O)N 62a_100015785749_200000210301 [0,1,0,0,0,0|3,0,0]=4 1713 B11R1.266 CSc1cc(cnn1)C(=O)N 62a_200000210301_100015785749 [0,1,0,0,0,0|3,0,0]=4 1714 B11R1.266 CSc1cc(ncn1)C(=O)N 62a_100000725265_200000210301 [0,1,0,0,0,0|3,0,0]=4 1715 B11R1.266 CSc1cc(ncn1)C(=O)N 62a_200000210301_100000725265 [0,1,0,0,0,0|3,0,0]=4 1716 B11R1.266 CSc1cccc(c1)B(O)O 62a_100000687717_200000210301 [0,1,0,0,0,0|2,0,1]=4 1717 B11R1.266 CSc1cccc(c1)B(O)O 62a_200000210301_100000687717 [0,1,0,0,0,0|2,0,1]=4 1718 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [0,1,0,0,0,0|0,0,0]=1 1719 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [0,1,0,0,0,0|0,0,0]=1 1720 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [0,1,0,0,0,0|0,0,0]=1 1721 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [0,1,0,0,0,0|1,0,0]=2 1722 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [0,1,0,0,0,0|1,0,0]=2 1723 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [0,1,0,0,0,0|0,0,0]=1 1724 B11R1.266 CSc1cccc(c1)C(C)C 62a_100011214899_200000210301 [0,1,0,0,0,0|1,0,1]=3 1725 B11R1.266 CSc1cccc(c1)C(C)C 62a_200000210301_100011214899 [0,1,0,0,0,0|1,0,1]=3 1726 B11R1.266 CSc1cccc(c1)C(C)N 62a_100020642005_200000210301 [0,1,0,0,0,0|1,0,1]=3 1727 B11R1.266 CSc1cccc(c1)C(C)N 62a_200000210301_100020642005 [0,1,0,0,0,0|1,0,1]=3 1728 B11R1.266 CSc1cccc(c1)C(C)O 62a_100000246457_200000210301 [0,1,0,0,0,0|0,0,2]=3 1729 B11R1.266 CSc1cccc(c1)C(C)O 62a_200000210301_100000246457 [0,1,0,0,0,0|0,0,2]=3 1730 B11R1.266 CSc1cccc(c1)C(F)F 62a_100009892619_200000210301 [0,1,0,0,0,0|2,0,1]=4 1731 B11R1.266 CSc1cccc(c1)C(F)F 62a_200000210301_100009892619 [0,1,0,0,0,0|2,0,1]=4 1732 B11R1.266 CSc1cccc(c1)N(C)C 2230a_100020672454_200000210301 [0,1,0,0,0,0|2,0,0]=3 1733 B11R1.266 CSc1cccc(c1)N(C)C 269982a_100020672454_200000210301 [0,1,0,0,0,0|2,0,0]=3 1734 B11R1.266 CSc1cccc(c1)N(C)C 34a_100020672454_200000210301 [0,1,0,0,0,0|2,0,0]=3 1735 B11R1.266 CSc1cccc(c1)N(C)C 62a_100011215952_200000210301 [0,1,0,0,0,0|2,0,0]=3 1736 B11R1.266 CSc1cccc(c1)N(C)C 62a_200000210301_100011215952 [0,1,0,0,0,0|2,0,0]=3 1737 B11R1.266 CSc1cccc(c1)N(C)[13CH3] 2230a_100020672454_200025704644 [0,1,0,0,0,0|2,0,0]=3 1738 B11R1.266 CSc1cccc(c1)N(C)[13CH3] 269982a_100020672454_200025704644 [0,1,0,0,0,0|2,0,0]=3 1739 B11R1.266 CSc1cccc(c1)N(C)[13CH3] 34a_100020672454_200025704644 [0,1,0,0,0,0|2,0,0]=3 1740 B11R1.266 CSc1cccc(c1)S(=O)C 62a_100009816267_200000210301 [0,1,0,0,0,0|1,0,0]=2 1741 B11R1.266 CSc1cccc(c1)S(=O)C 62a_200000210301_100009816267 [0,1,0,0,0,0|1,0,0]=2 1742 B11R1.266 CSc1cccc(n1)C(=O)C 62a_100009816502_200000210301 [0,1,0,0,0,0|1,0,0]=2 1743 B11R1.266 CSc1cccc(n1)C(=O)C 62a_200000210301_100009816502 [0,1,0,0,0,0|1,0,0]=2 1744 B11R1.266 CSc1cccc(n1)C(=O)N 62a_100011834053_200000210301 [0,1,0,0,0,0|2,0,0]=3 1745 B11R1.266 CSc1cccc(n1)C(=O)N 62a_200000210301_100011834053 [0,1,0,0,0,0|2,0,0]=3 1746 B11R1.266 CSc1cccc(n1)C(C)C 62a_100012318657_200000210301 [0,1,0,0,0,0|2,0,1]=4 1747 B11R1.266 CSc1cccc(n1)C(C)C 62a_200000210301_100012318657 [0,1,0,0,0,0|2,0,1]=4 1748 B11R1.266 CSc1cccc(n1)C(C)N 62a_200000210301_200010173468 [0,1,0,0,0,0|2,0,1]=4 1749 B11R1.266 CSc1cccc(n1)C(C)N 62a_200010173468_200000210301 [0,1,0,0,0,0|2,0,1]=4 1750 B11R1.266 CSc1cccc(n1)C(C)O 62a_100009820884_200000210301 [0,1,0,0,0,0|1,0,2]=4 1751 B11R1.266 CSc1cccc(n1)C(C)O 62a_200000210301_100009820884 [0,1,0,0,0,0|1,0,2]=4 1752 B11R1.266 CSc1cccc(n1)N(C)C 62a_100011960435_200000210301 [0,1,0,0,0,0|3,0,0]=4 1753 B11R1.266 CSc1cccc(n1)N(C)C 62a_200000210301_100011960435 [0,1,0,0,0,0|3,0,0]=4 1754 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [0,1,0,0,0,0|1,0,0]=2 1755 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [0,1,0,0,0,0|1,0,0]=2 1756 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_100000229564_200000210301 [0,1,0,0,0,0|2,0,0]=3 1757 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_200000210301_100000229564 [0,1,0,0,0,0|2,0,0]=3 1758 B11R1.266 CSc1ccnc(c1)C(C)C 62a_100010237922_200000210301 [0,1,0,0,0,0|2,0,1]=4 1759 B11R1.266 CSc1ccnc(c1)C(C)C 62a_200000210301_100010237922 [0,1,0,0,0,0|2,0,1]=4 1760 B11R1.266 CSc1ccnc(c1)C(C)O 62a_100000144657_200000210301 [0,1,0,0,0,0|1,0,2]=4 1761 B11R1.266 CSc1ccnc(c1)C(C)O 62a_200000210301_100000144657 [0,1,0,0,0,0|1,0,2]=4 1762 B11R1.266 CSc1ccnc(c1)N(C)C 62a_100012361627_200000210301 [0,1,0,0,0,0|3,0,0]=4 1763 B11R1.266 CSc1ccnc(c1)N(C)C 62a_200000210301_100012361627 [0,1,0,0,0,0|3,0,0]=4 1764 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [0,1,0,0,0,0|1,0,0]=2 1765 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [0,1,0,0,0,0|1,0,0]=2 1766 B11R1.266 CSc1cncc(c1)C(=O)N 62a_100000162242_200000210301 [0,1,0,0,0,0|2,0,0]=3 1767 B11R1.266 CSc1cncc(c1)C(=O)N 62a_200000210301_100000162242 [0,1,0,0,0,0|2,0,0]=3 1768 B11R1.266 CSc1cncc(c1)C(C)C 62a_200000210301_200010191214 [0,1,0,0,0,0|2,0,1]=4 1769 B11R1.266 CSc1cncc(c1)C(C)C 62a_200010191214_200000210301 [0,1,0,0,0,0|2,0,1]=4 1770 B11R1.266 CSc1cncc(c1)C(C)O 62a_100012351597_200000210301 [0,1,0,0,0,0|1,0,2]=4 1771 B11R1.266 CSc1cncc(c1)C(C)O 62a_200000210301_100012351597 [0,1,0,0,0,0|1,0,2]=4 1772 B11R1.266 CSc1cncc(c1)N(C)C 62a_100012350714_200000210301 [0,1,0,0,0,0|3,0,0]=4 1773 B11R1.266 CSc1cncc(c1)N(C)C 62a_200000210301_100012350714 [0,1,0,0,0,0|3,0,0]=4 1774 B11R1.266 CSc1cncc(c1)[C@@H](C)N 62a_100012350620_200000210301 [0,1,0,0,0,0|2,0,1]=4 1775 B11R1.266 CSc1cncc(c1)[C@@H](C)N 62a_200000210301_100012350620 [0,1,0,0,0,0|2,0,1]=4 1776 B11R1.266 CSc1cncc(n1)C(=O)N 62a_100000764846_200000210301 [0,1,0,0,0,0|3,0,0]=4 1777 B11R1.266 CSc1cncc(n1)C(=O)N 62a_200000210301_100000764846 [0,1,0,0,0,0|3,0,0]=4 1778 B11R1.266 CSc1nccc(n1)C(=O)C 62a_100010643186_200000210301 [0,1,0,0,0,0|2,0,0]=3 1779 B11R1.266 CSc1nccc(n1)C(=O)C 62a_200000210301_100010643186 [0,1,0,0,0,0|2,0,0]=3 1780 B11R1.266 CSc1nccc(n1)C(=O)N 62a_100000066158_200000210301 [0,1,0,0,0,0|3,0,0]=4 1781 B11R1.266 CSc1nccc(n1)C(=O)N 62a_200000210301_100000066158 [0,1,0,0,0,0|3,0,0]=4 1782 B11R1.266 C[C@@H](N)c1cncc(c1)S[13CH3] 62a_100012350620_200025704644 [0,1,0,0,0,0|2,0,1]=4 1783 B11R1.266 C[C@@H](N)c1cncc(c1)S[13CH3] 62a_200025704644_100012350620 [0,1,0,0,0,0|2,0,1]=4 1784 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [0,1,0,0,0,0|0,0,1]=2 1785 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,1,0,0,0,0|0,0,0]=1 1786 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [0,1,0,0,0,0|1,0,0]=2 1787 B11R1.266 [13CH3]Nc1cccc(c1)C(F)F 2230a_100000058342_200025704644 [0,1,0,0,0,0|2,0,1]=4 1788 B11R1.266 [13CH3]Nc1cccc(c1)C(F)F 34a_100000058342_200025704644 [0,1,0,0,0,0|2,0,1]=4 1789 B11R1.266 [13CH3]Nc1cccc(c1)C(F)F 7a_100000058342_200025704644 [0,1,0,0,0,0|2,0,1]=4 1790 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [0,1,0,0,0,0|2,0,0]=3 1791 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [0,1,0,0,0,0|1,0,0]=2 1792 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [0,1,0,0,0,0|1,0,0]=2 1793 B11R1.266 [13CH3]Oc1cccc(c1)C(=S)N 7a_100000738086_200025704644 [0,1,0,0,0,0|1,1,0]=3 1794 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [0,1,0,0,0,0|2,0,0]=3 1795 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [0,1,0,0,0,0|2,0,0]=3 1796 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [0,1,0,0,0,0|2,0,0]=3 1797 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200025704644 [0,1,0,0,0,0|3,0,0]=4 1798 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200025704644 [0,1,0,0,0,0|3,0,0]=4 1799 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_100000229836_200025704644 [0,1,0,0,0,0|2,0,0]=3 1800 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_200025704644_100000229836 [0,1,0,0,0,0|2,0,0]=3 1801 B11R1.266 [13CH3]Sc1cc(cnn1)C(=O)N 62a_100015785749_200025704644 [0,1,0,0,0,0|3,0,0]=4 1802 B11R1.266 [13CH3]Sc1cc(cnn1)C(=O)N 62a_200025704644_100015785749 [0,1,0,0,0,0|3,0,0]=4 1803 B11R1.266 [13CH3]Sc1cc(ncn1)C(=O)N 62a_100000725265_200025704644 [0,1,0,0,0,0|3,0,0]=4 1804 B11R1.266 [13CH3]Sc1cc(ncn1)C(=O)N 62a_200025704644_100000725265 [0,1,0,0,0,0|3,0,0]=4 1805 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_100000687717_200025704644 [0,1,0,0,0,0|2,0,1]=4 1806 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_200025704644_100000687717 [0,1,0,0,0,0|2,0,1]=4 1807 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [0,1,0,0,0,0|1,0,0]=2 1808 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [0,1,0,0,0,0|1,0,0]=2 1809 B11R1.266 [13CH3]Sc1cccc(c1)C(F)F 62a_100009892619_200025704644 [0,1,0,0,0,0|2,0,1]=4 1810 B11R1.266 [13CH3]Sc1cccc(c1)C(F)F 62a_200025704644_100009892619 [0,1,0,0,0,0|2,0,1]=4 1811 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_100011834053_200025704644 [0,1,0,0,0,0|2,0,0]=3 1812 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_200025704644_100011834053 [0,1,0,0,0,0|2,0,0]=3 1813 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_100000229564_200025704644 [0,1,0,0,0,0|2,0,0]=3 1814 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_200025704644_100000229564 [0,1,0,0,0,0|2,0,0]=3 1815 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_100000162242_200025704644 [0,1,0,0,0,0|2,0,0]=3 1816 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_200025704644_100000162242 [0,1,0,0,0,0|2,0,0]=3 1817 B11R1.266 [13CH3]Sc1cncc(n1)C(=O)N 62a_100000764846_200025704644 [0,1,0,0,0,0|3,0,0]=4 1818 B11R1.266 [13CH3]Sc1cncc(n1)C(=O)N 62a_200025704644_100000764846 [0,1,0,0,0,0|3,0,0]=4 1819 B11R1.266 [13CH3]Sc1nccc(n1)C(=O)N 62a_100000066158_200025704644 [0,1,0,0,0,0|3,0,0]=4 1820 B11R1.266 [13CH3]Sc1nccc(n1)C(=O)N 62a_200025704644_100000066158 [0,1,0,0,0,0|3,0,0]=4 1821 B9R0.42 C=CC(=O)CC(=O)C(=O)C 1458a_100000185746_100011261029 [0,0,1,0,0,0|2,0,1]=4 1822 B9R0.47 C/C=C/C=CC(=O)C(C)C 1458a_100000185730_100000210206 [0,0,1,0,0,0|2,0,1]=4 1823 B9R0.47 C/C=C/C=CC(=O)N(C)C 11a_100102631434_100000185730 [0,0,1,0,0,0|3,0,0]=4 1824 B9R0.47 C/C=C/C=CC(=O)N(C)C 1626a_100102631434_100000185730 [0,0,1,0,0,0|3,0,0]=4 1825 B9R0.47 C/C=C/C=CC(=O)N(C)C 240690a_100102631434_100000185730 [0,0,1,0,0,0|3,0,0]=4 1826 B9R0.48 CC=CC(=NNC(=O)C)C 4a_100000189765_100011218416 [0,0,1,0,0,0|2,0,1]=4 1827 B9R0.55 CC(=O)NN=CC=C(C)C 4a_100000189765_100011215525 [0,0,1,0,0,0|2,0,1]=4 1828 B11R2.35 Brc1cccc(c1)C2CC2 271570a_100011220607_100000691529 [0,0,0,1,0,0|2,0,1]=4 1829 B11R2.35 C[n+]1cccc(c1)C2CC2 271570a_100011220607_100009996589 [0,0,0,1,0,0|2,0,1]=4 1830 B11R2.35 Cc1cc(ccn1)C2CC2 271570a_100011220607_100000758586 [0,0,0,1,0,0|2,0,1]=4 1831 B11R2.35 Cc1cccc(c1)C2CC2 271570a_100011220607_100011215228 [0,0,0,1,0,0|1,0,1]=3 1832 B11R2.35 Cc1cccc(n1)C2CC2 271570a_100011220607_100000742759 [0,0,0,1,0,0|2,0,1]=4 1833 B11R2.35 Cc1ccnc(c1)C2CC2 271570a_100011220607_100000750283 [0,0,0,1,0,0|2,0,1]=4 1834 B11R2.35 Cc1cncc(c1)C2CC2 271570a_100011220607_100000760492 [0,0,0,1,0,0|2,0,1]=4 1835 B11R2.35 Clc1cccc(c1)C2CC2 271570a_100011220607_100000699651 [0,0,0,1,0,0|2,0,1]=4 1836 B11R2.35 Fc1cccc(c1)C2CC2 271570a_100011220607_100000685547 [0,0,0,1,0,0|2,0,1]=4 1837 B11R2.35 Nc1cccc(c1)C2CC2 271570a_100011220607_100000210019 [0,0,0,1,0,0|2,0,1]=4 1838 B11R2.35 Oc1cccc(c1)C2CC2 271570a_100011220607_100000211634 [0,0,0,1,0,0|2,0,1]=4 1839 B11R2.35 Oc1cccc(c1)C2CC2 271570a_203496583355_100009816567 [0,0,0,1,0,0|2,0,1]=4 1840 B11R2.35 [S]c1cccc(c1)C2CC2 271570a_100011220607_114929384022 [0,0,0,1,0,0|2,0,1]=4 1841 B9R1.35 C=C(C)c1c[nH]c(n1)C 271570a_100000694244_100009814057 [0,0,0,0,1,0|3,0,0]=4 1842 B9R1.35 C=C(C)c1cc([nH]n1)C 271570a_100000694244_100015199547 [0,0,0,0,1,0|3,0,0]=4 1843 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,0,0,0,1,0|2,0,0]=3 1844 B9R1.35 C=C(C)c1cc(ns1)C 271570a_100000694244_100009815735 [0,0,0,0,1,0|3,0,0]=4 1845 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [0,0,0,0,1,0|3,0,0]=4 1846 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,0,0,0,1,0|2,0,0]=3 1847 B9R1.35 C=C(C)c1ccn(n1)C 271570a_100000694244_100000752436 [0,0,0,0,1,0|3,0,0]=4 1848 B9R1.35 C=C(C)c1cn(cn1)C 271570a_100000694244_100000040308 [0,0,0,0,1,0|3,0,0]=4 1849 B9R1.35 C=C(C)c1cnc(s1)C 271570a_100000694244_100000764884 [0,0,0,0,1,0|3,0,0]=4 1850 B9R1.35 C=C(C)c1cnn(c1)C 271570a_100000694244_100000748075 [0,0,0,0,1,0|3,0,0]=4 1851 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [0,0,0,0,1,0|2,0,0]=3 1852 B9R1.35 C=C(C)c1csc(n1)C 271570a_100000694244_100011934587 [0,0,0,0,1,0|3,0,0]=4 1853 B9R1.35 C=C(C)c1nc(c[nH]1)C 271570a_100000694244_100161115468 [0,0,0,0,1,0|3,0,0]=4 1854 B9R1.35 C=C(C)c1nc(cs1)C 271570a_100000694244_100011291629 [0,0,0,0,1,0|3,0,0]=4 1855 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [0,0,0,0,1,0|3,0,0]=4 1856 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,0,0,0,1,0|2,0,0]=3 1857 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,0,0,0,1,0|2,0,0]=3 1858 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,0,0,0,1,0|2,0,0]=3 1859 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,0,0,0,1,0|2,0,0]=3 1860 B9R1.35 CC(=O)c1cn(nn1)C 274090a_200000210301_100000690481 [0,0,0,0,1,0|3,0,0]=4 1861 B9R1.35 CC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000690481 [0,0,0,0,1,0|3,0,0]=4 1862 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,0,0,0,1,0|3,0,0]=4 1863 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,0,0,0,1,0|2,0,0]=3 1864 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,0,0,0,1,0|3,0,0]=4 1865 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,0,0,0,1,0|3,0,0]=4 1866 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [0,0,0,0,1,0|3,0,0]=4 1867 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,0,0,0,1,0|3,0,0]=4 1868 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,0,0,0,1,0|3,0,0]=4 1869 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,0,0,0,1,0|3,0,0]=4 1870 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,0,0,0,1,0|3,0,0]=4 1871 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,0,0,0,1,0|3,0,0]=4 1872 B9R1.41 C=C(C)c1c[nH]nc1C 271570a_100000694244_100011912673 [0,0,0,0,1,0|3,0,0]=4 1873 B9R1.41 C=C(C)c1ccnn1C 271570a_100000694244_100000688441 [0,0,0,0,1,0|3,0,0]=4 1874 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [0,0,0,0,1,0|2,0,0]=3 1875 B9R1.41 C=C(C)c1cncn1C 271570a_100000694244_100009814087 [0,0,0,0,1,0|3,0,0]=4 1876 B9R1.41 C=C(C)c1cnoc1C 271570a_100000694244_100009872056 [0,0,0,0,1,0|3,0,0]=4 1877 B9R1.41 C=C(C)c1cscc1Br 271570a_100000694244_100010143727 [0,0,0,0,1,0|3,0,0]=4 1878 B9R1.41 C=C(C)c1cscc1C 271570a_100000694244_100000759966 [0,0,0,0,1,0|2,0,0]=3 1879 B9R1.41 C=C(C)c1n[nH]cc1C 271570a_100000694244_100009871783 [0,0,0,0,1,0|3,0,0]=4 1880 B9R1.41 C=C(C)c1nc[nH]c1C 271570a_100000694244_100009816806 [0,0,0,0,1,0|3,0,0]=4 1881 B9R1.41 C=C(C)c1nccn1C 271570a_100000694244_100000707724 [0,0,0,0,1,0|3,0,0]=4 1882 B9R1.41 C=C(C)c1ncsc1C 271570a_100000694244_100000732656 [0,0,0,0,1,0|3,0,0]=4 1883 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [0,0,0,0,1,0|3,0,0]=4 1884 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,0,0,0,1,0|2,0,0]=3 1885 B9R1.41 C=C(C)c1scnc1C 271570a_100000694244_100009817116 [0,0,0,0,1,0|3,0,0]=4 1886 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,0,0,0,1,0|2,0,0]=3 1887 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,0,0,0,1,0|3,0,0]=4 1888 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,0,0,0,1,0|3,0,0]=4 1889 B11R1.157 CC(=Cc1cc(ccn1)C)C 271570a_100102525489_100000750283 [0,0,0,0,0,1|2,0,0]=3 1890 B11R1.157 CC(=Cc1cc(ccn1)Cl)C 271570a_100102525489_100010167805 [0,0,0,0,0,1|3,0,0]=4 1891 B11R1.157 CC(=Cc1cc(ccn1)F)C 271570a_100102525489_100009817058 [0,0,0,0,0,1|3,0,0]=4 1892 B11R1.157 CC(=Cc1cc(ccn1)N)C 271570a_100102525489_100009814236 [0,0,0,0,0,1|3,0,0]=4 1893 B11R1.157 CC(=Cc1cc(ccn1)O)C 271570a_100102525489_100000762945 [0,0,0,0,0,1|3,0,0]=4 1894 B11R1.157 CC(=Cc1cc(cnn1)C)C 271570a_100102525489_100000070100 [0,0,0,0,0,1|3,0,0]=4 1895 B11R1.157 CC(=Cc1cc(ncn1)C)C 271570a_100102525489_100000744208 [0,0,0,0,0,1|3,0,0]=4 1896 B11R1.157 CC(=Cc1cc[nH]c(=O)c1)C 271570a_100102525489_100009816521 [0,0,0,0,0,1|3,0,0]=4 1897 B11R1.157 CC(=Cc1ccc[n+](c1)C)C 271570a_100102525489_100009996589 [0,0,0,0,0,1|2,0,0]=3 1898 B11R1.157 CC(=Cc1ccc[n+](c1)[O-])C 271570a_100102525489_100009815978 [0,0,0,0,0,1|3,0,0]=4 1899 B11R1.157 CC(=Cc1cccc(=O)[nH]1)C 271570a_100102525489_100000761760 [0,0,0,0,0,1|3,0,0]=4 1900 B11R1.157 CC(=Cc1cccc(c1)Br)C 271570a_100102525489_100000691529 [0,0,0,0,0,1|2,0,0]=3 1901 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [0,0,0,0,0,1|1,0,0]=2 1902 B11R1.157 CC(=Cc1cccc(c1)Cl)C 271570a_100102525489_100000699651 [0,0,0,0,0,1|2,0,0]=3 1903 B11R1.157 CC(=Cc1cccc(c1)F)C 271570a_100102525489_100000685547 [0,0,0,0,0,1|2,0,0]=3 1904 B11R1.157 CC(=Cc1cccc(c1)N)C 271570a_100102525489_100000210019 [0,0,0,0,0,1|2,0,0]=3 1905 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [0,0,0,0,0,1|2,0,0]=3 1906 B11R1.157 CC(=Cc1cccc(c1)[S])C 271570a_100102525489_114929384022 [0,0,0,0,0,1|2,0,0]=3 1907 B11R1.157 CC(=Cc1cccc(n1)Br)C 271570a_100102525489_100000684672 [0,0,0,0,0,1|3,0,0]=4 1908 B11R1.157 CC(=Cc1cccc(n1)C)C 271570a_100102525489_100000742759 [0,0,0,0,0,1|2,0,0]=3 1909 B11R1.157 CC(=Cc1cccc(n1)F)C 271570a_100102525489_100009815982 [0,0,0,0,0,1|3,0,0]=4 1910 B11R1.157 CC(=Cc1cccc(n1)N)C 271570a_100102525489_100000740741 [0,0,0,0,0,1|3,0,0]=4 1911 B11R1.157 CC(=Cc1ccnc(c1)Br)C 271570a_100102525489_100009814637 [0,0,0,0,0,1|3,0,0]=4 1912 B11R1.157 CC(=Cc1ccnc(c1)C)C 271570a_100102525489_100000758586 [0,0,0,0,0,1|2,0,0]=3 1913 B11R1.157 CC(=Cc1ccnc(c1)Cl)C 271570a_100102525489_100000035001 [0,0,0,0,0,1|3,0,0]=4 1914 B11R1.157 CC(=Cc1ccnc(c1)F)C 271570a_100102525489_100009816116 [0,0,0,0,0,1|3,0,0]=4 1915 B11R1.157 CC(=Cc1ccnc(c1)N)C 271570a_100102525489_100000744379 [0,0,0,0,0,1|3,0,0]=4 1916 B11R1.157 CC(=Cc1ccnc(n1)C)C 271570a_100102525489_100000749937 [0,0,0,0,0,1|3,0,0]=4 1917 B11R1.157 CC(=Cc1cncc(c1)Br)C 271570a_100102525489_100000728054 [0,0,0,0,0,1|3,0,0]=4 1918 B11R1.157 CC(=Cc1cncc(c1)C)C 271570a_100102525489_100000760492 [0,0,0,0,0,1|2,0,0]=3 1919 B11R1.157 CC(=Cc1cncc(c1)Cl)C 271570a_100102525489_100000049639 [0,0,0,0,0,1|3,0,0]=4 1920 B11R1.157 CC(=Cc1cncc(c1)F)C 271570a_100102525489_100000744099 [0,0,0,0,0,1|3,0,0]=4 1921 B11R1.157 CC(=Cc1cncc(c1)N)C 271570a_100102525489_100000687067 [0,0,0,0,0,1|3,0,0]=4 1922 B11R1.157 CC(=Cc1cncc(c1)O)C 271570a_100102525489_100000754920 [0,0,0,0,0,1|3,0,0]=4 1923 B11R1.157 CC(=Cc1cncc(n1)C)C 271570a_100102525489_100009842155 [0,0,0,0,0,1|3,0,0]=4 1924 B11R1.157 CC(=Cc1nccc(n1)C)C 271570a_100102525489_100011243806 [0,0,0,0,0,1|3,0,0]=4 1925 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [0,0,0,0,0,1|2,0,0]=3 1926 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,0,0,0,0,1|1,0,0]=2 1927 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [0,0,0,0,0,1|2,0,0]=3 1928 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,0,0,0,0,1|1,0,0]=2 1929 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,0,0,0,0,1|1,0,0]=2 1930 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,0,0,0,0,1|0,0,0]=1 1931 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,0,0,0,0,1|0,0,0]=1 1932 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,0,0,0,0,1|1,0,0]=2 1933 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,0,0,0,0,1|1,0,0]=2 1934 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,0,0,0,0,1|1,0,0]=2 1935 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,0,0,0,0,1|1,0,0]=2 1936 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,0,0,0,0,1|1,0,0]=2 1937 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,0,0,0,0,1|1,0,0]=2 1938 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,0,0,0,0,1|1,0,0]=2 1939 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,0,0,0,0,1|1,0,0]=2 1940 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,0,0,0,0,1|1,0,0]=2 1941 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [0,0,0,0,0,1|2,0,0]=3 1942 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [0,0,0,0,0,1|2,0,0]=3 1943 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,0,0,0,0,1|1,0,0]=2 1944 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,0,0,0,0,1|1,0,0]=2 1945 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,0,0,0,0,1|2,0,0]=3 1946 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,0,0,0,0,1|2,0,0]=3 1947 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [0,0,0,0,0,1|2,0,0]=3 1948 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [0,0,0,0,0,1|2,0,0]=3 1949 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [0,0,0,0,0,1|2,0,0]=3 1950 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [0,0,0,0,0,1|2,0,0]=3 1951 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [0,0,0,0,0,1|1,0,0]=2 1952 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [0,0,0,0,0,1|2,0,0]=3 1953 B11R1.157 CC(=O)Cc1ccnc(n1)Cl 1458a_100000070787_100000099655 [0,0,0,0,0,1|3,0,0]=4 1954 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [0,0,0,0,0,1|2,0,0]=3 1955 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [0,0,0,0,0,1|2,0,0]=3 1956 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,0,0,0,0,1|1,0,0]=2 1957 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [0,0,0,0,0,1|2,0,0]=3 1958 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [0,0,0,0,0,1|2,0,0]=3 1959 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [0,0,0,0,0,1|2,0,0]=3 1960 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [0,0,0,0,0,1|2,0,0]=3 1961 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,0,0,0,0,1|1,0,0]=2 1962 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,0,0,0,0,1|1,0,0]=2 1963 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,0,0,0,0,1|1,0,0]=2 1964 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,0,0,0,0,1|1,0,0]=2 1965 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,0,0,0,0,1|0,0,0]=1 1966 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,0,0,0,0,1|0,0,0]=1 1967 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,0,0,0,0,1|0,0,0]=1 1968 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,0,0,0,0,1|0,0,0]=1 1969 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,0,0,0,0,1|1,0,0]=2 1970 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,0,0,0,0,1|1,0,0]=2 1971 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,0,0,0,0,1|1,0,0]=2 1972 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,0,0,0,0,1|1,0,0]=2 1973 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,0,0,0,0,1|1,0,0]=2 1974 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,0,0,0,0,1|1,0,0]=2 1975 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,0,0,0,0,1|1,0,0]=2 1976 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,0,0,0,0,1|1,0,0]=2 1977 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,0,0,0,0,1|1,0,0]=2 1978 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,0,0,0,0,1|1,0,0]=2 1979 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,0,0,0,0,1|1,0,0]=2 1980 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,0,0,0,0,1|1,0,0]=2 1981 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,0,0,0,0,1|1,0,0]=2 1982 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,0,0,0,0,1|1,0,0]=2 1983 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,0,0,0,0,1|1,0,0]=2 1984 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [0,0,0,0,0,1|2,0,0]=3 1985 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [0,0,0,0,0,1|2,0,0]=3 1986 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [0,0,0,0,0,1|2,0,0]=3 1987 B11R1.157 CC(=O)Nc1cncc(n1)O 271570a_203496583355_100000703374 [0,0,0,0,0,1|3,0,0]=4 1988 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,0,0,0,0,1|1,0,0]=2 1989 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [0,0,0,0,0,1|2,0,1]=4 1990 B11R1.157 CC(C)Nc1cccc(c1)Br 34a_100000210019_100000210206 [0,0,0,0,0,1|2,0,1]=4 1991 B11R1.157 CC(C)Nc1cccc(c1)Cl 34a_100000185859_100000210206 [0,0,0,0,0,1|2,0,1]=4 1992 B11R1.157 CC(C)Nc1cccc(c1)F 34a_100000210047_100000210206 [0,0,0,0,0,1|2,0,1]=4 1993 B11R1.157 CC(C)Nc1cccc(c1)I 34a_100000211102_100000210206 [0,0,0,0,0,1|2,0,1]=4 1994 B11R1.157 CC(C)Nc1cccc(c1)O 271570a_203496583355_100000219649 [0,0,0,0,0,1|2,0,1]=4 1995 B11R1.157 CC(C)Nc1cccc(c1)O 34a_100000210217_100000210206 [0,0,0,0,0,1|2,0,1]=4 1996 B11R1.157 CC(C)Oc1cccc(c1)Br 34a_100000210342_100000210206 [0,0,0,0,0,1|2,0,1]=4 1997 B11R1.157 CC(C)Oc1cccc(c1)Br 7a_100000210342_100000210206 [0,0,0,0,0,1|2,0,1]=4 1998 B11R1.157 CC(C)Oc1cccc(c1)Cl 34a_100000210295_100000210206 [0,0,0,0,0,1|2,0,1]=4 1999 B11R1.157 CC(C)Oc1cccc(c1)Cl 7a_100000210295_100000210206 [0,0,0,0,0,1|2,0,1]=4 2000 B11R1.157 CC(C)Oc1cccc(c1)F 34a_100000210426_100000210206 [0,0,0,0,0,1|2,0,1]=4 2001 B11R1.157 CC(C)Oc1cccc(c1)F 7a_100000210426_100000210206 [0,0,0,0,0,1|2,0,1]=4 2002 B11R1.157 CC(C)Oc1cccc(c1)I 34a_100000211634_100000210206 [0,0,0,0,0,1|2,0,1]=4 2003 B11R1.157 CC(C)Oc1cccc(c1)I 7a_100000211634_100000210206 [0,0,0,0,0,1|2,0,1]=4 2004 B11R1.157 CC(C)Oc1cccc(c1)N 34a_100000210217_100000210206 [0,0,0,0,0,1|2,0,1]=4 2005 B11R1.157 CC(C)Oc1cccc(c1)O 271570a_203496583355_100000170003 [0,0,0,0,0,1|2,0,1]=4 2006 B11R1.157 CC(C)Sc1ccc[n+](c1)C 62a_100000210206_100009996589 [0,0,0,0,0,1|2,0,1]=4 2007 B11R1.157 CC(C)Sc1ccc[n+](c1)C 62a_100009996589_100000210206 [0,0,0,0,0,1|2,0,1]=4 2008 B11R1.157 CC(C)Sc1cccc(c1)Br 62a_100000210206_100000691529 [0,0,0,0,0,1|2,0,1]=4 2009 B11R1.157 CC(C)Sc1cccc(c1)Br 62a_100000691529_100000210206 [0,0,0,0,0,1|2,0,1]=4 2010 B11R1.157 CC(C)Sc1cccc(c1)Cl 62a_100000210206_100000699651 [0,0,0,0,0,1|2,0,1]=4 2011 B11R1.157 CC(C)Sc1cccc(c1)Cl 62a_100000699651_100000210206 [0,0,0,0,0,1|2,0,1]=4 2012 B11R1.157 CC(C)Sc1cccc(c1)F 62a_100000210206_100000685547 [0,0,0,0,0,1|2,0,1]=4 2013 B11R1.157 CC(C)Sc1cccc(c1)F 62a_100000685547_100000210206 [0,0,0,0,0,1|2,0,1]=4 2014 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210019_100000210206 [0,0,0,0,0,1|2,0,1]=4 2015 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210206_100000210019 [0,0,0,0,0,1|2,0,1]=4 2016 B11R1.157 CC(C)Sc1cccc(c1)O 271570a_203496583355_100009815759 [0,0,0,0,0,1|2,0,1]=4 2017 B11R1.157 CC(C)Sc1cccc(c1)O 62a_100000210206_100000211634 [0,0,0,0,0,1|2,0,1]=4 2018 B11R1.157 CC(C)Sc1cccc(c1)[S] 62a_100000210206_114929384022 [0,0,0,0,0,1|2,0,1]=4 2019 B11R1.157 CC(C)Sc1cccc(c1)[S] 62a_114929384022_100000210206 [0,0,0,0,0,1|2,0,1]=4 2020 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100000187585_200000210301 [0,0,0,0,0,1|3,0,0]=4 2021 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100102631434_100000698116 [0,0,0,0,0,1|3,0,0]=4 2022 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100000187585_200000210301 [0,0,0,0,0,1|3,0,0]=4 2023 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100102631434_100000211773 [0,0,0,0,0,1|3,0,0]=4 2024 B11R1.157 CN(C)Cc1cccc(c1)Br 270004a_100102631434_100000210085 [0,0,0,0,0,1|3,0,0]=4 2025 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100020629429_200000210301 [0,0,0,0,0,1|3,0,0]=4 2026 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100102631434_100000181238 [0,0,0,0,0,1|3,0,0]=4 2027 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100020629429_200000210301 [0,0,0,0,0,1|3,0,0]=4 2028 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100102631434_100000181238 [0,0,0,0,0,1|3,0,0]=4 2029 B11R1.157 CN(C)Cc1cccc(c1)Cl 270004a_100102631434_100000210801 [0,0,0,0,0,1|3,0,0]=4 2030 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100000184398_200000210301 [0,0,0,0,0,1|3,0,0]=4 2031 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100102631434_100000230114 [0,0,0,0,0,1|3,0,0]=4 2032 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100000184398_200000210301 [0,0,0,0,0,1|3,0,0]=4 2033 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100102631434_100000230114 [0,0,0,0,0,1|3,0,0]=4 2034 B11R1.157 CN(C)Cc1cccc(c1)F 270004a_100102631434_100000210812 [0,0,0,0,0,1|3,0,0]=4 2035 B11R1.157 CN(C)Cc1cccc(c1)F 34a_100000184398_200000210301 [0,0,0,0,0,1|3,0,0]=4 2036 B11R1.157 CN(C)Cc1cccc(c1)I 2230a_100102631434_100011218688 [0,0,0,0,0,1|3,0,0]=4 2037 B11R1.157 CN(C)Cc1cccc(c1)I 269982a_100102631434_100011218688 [0,0,0,0,0,1|3,0,0]=4 2038 B11R1.157 CN(C)Cc1cccc(c1)I 270004a_100102631434_100000014684 [0,0,0,0,0,1|3,0,0]=4 2039 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100000207540_200000210301 [0,0,0,0,0,1|3,0,0]=4 2040 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100102631434_100011660834 [0,0,0,0,0,1|3,0,0]=4 2041 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100000207540_200000210301 [0,0,0,0,0,1|3,0,0]=4 2042 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100102631434_100000084143 [0,0,0,0,0,1|3,0,0]=4 2043 B11R1.157 CN(C)Cc1cccc(c1)O 270004a_100102631434_100000188321 [0,0,0,0,0,1|3,0,0]=4 2044 B11R1.157 CN(C)Cc1cccc(c1)O 271570a_203496583355_100000174759 [0,0,0,0,0,1|3,0,0]=4 2045 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 2230a_100000187585_200025704644 [0,0,0,0,0,1|3,0,0]=4 2046 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 269982a_100000187585_200025704644 [0,0,0,0,0,1|3,0,0]=4 2047 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 2230a_100020629429_200025704644 [0,0,0,0,0,1|3,0,0]=4 2048 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 269982a_100020629429_200025704644 [0,0,0,0,0,1|3,0,0]=4 2049 B11R1.157 CN([13CH3])Cc1cccc(c1)F 2230a_100000184398_200025704644 [0,0,0,0,0,1|3,0,0]=4 2050 B11R1.157 CN([13CH3])Cc1cccc(c1)F 269982a_100000184398_200025704644 [0,0,0,0,0,1|3,0,0]=4 2051 B11R1.157 CN([13CH3])Cc1cccc(c1)F 34a_100000184398_200025704644 [0,0,0,0,0,1|3,0,0]=4 2052 B11R1.157 CN([13CH3])Cc1cccc(c1)O 2230a_100000207540_200025704644 [0,0,0,0,0,1|3,0,0]=4 2053 B11R1.157 CN([13CH3])Cc1cccc(c1)O 269982a_100000207540_200025704644 [0,0,0,0,0,1|3,0,0]=4 2054 B11R1.157 Cc1cc(ccn1)CN(C)C 2230a_100102631434_200020672517 [0,0,0,0,0,1|3,0,0]=4 2055 B11R1.157 Cc1cc(ccn1)CN(C)C 269982a_100102631434_200020672517 [0,0,0,0,0,1|3,0,0]=4 2056 B11R1.157 Cc1cc(ccn1)CN(C)C 270004a_100102631434_100011361630 [0,0,0,0,0,1|3,0,0]=4 2057 B11R1.157 Cc1cc(ccn1)NC(C)C 27a_100138425928_100000758586 [0,0,0,0,0,1|2,0,1]=4 2058 B11R1.157 Cc1cc(ccn1)OC(C)C 34a_100000688365_100000210206 [0,0,0,0,0,1|2,0,1]=4 2059 B11R1.157 Cc1cc(ccn1)SC(C)C 62a_100000210206_100000758586 [0,0,0,0,0,1|2,0,1]=4 2060 B11R1.157 Cc1cc(ccn1)SC(C)C 62a_100000758586_100000210206 [0,0,0,0,0,1|2,0,1]=4 2061 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,0,0,0,0,1|0,0,0]=1 2062 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_100102631434_100000211840 [0,0,0,0,0,1|2,0,0]=3 2063 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_102495364743_200000210301 [0,0,0,0,0,1|2,0,0]=3 2064 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_100102631434_100000211840 [0,0,0,0,0,1|2,0,0]=3 2065 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_102495364743_200000210301 [0,0,0,0,0,1|2,0,0]=3 2066 B11R1.157 Cc1cccc(c1)CN(C)C 270004a_100102631434_100000211157 [0,0,0,0,0,1|2,0,0]=3 2067 B11R1.157 Cc1cccc(c1)CN(C)C 34a_102495364743_200000210301 [0,0,0,0,0,1|2,0,0]=3 2068 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 2230a_102495364743_200025704644 [0,0,0,0,0,1|2,0,0]=3 2069 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 269982a_102495364743_200025704644 [0,0,0,0,0,1|2,0,0]=3 2070 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 34a_102495364743_200025704644 [0,0,0,0,0,1|2,0,0]=3 2071 B11R1.157 Cc1cccc(c1)NC(C)C 2230a_100000188690_100000210206 [0,0,0,0,0,1|1,0,1]=3 2072 B11R1.157 Cc1cccc(c1)NC(C)C 34a_100000188690_100000210206 [0,0,0,0,0,1|1,0,1]=3 2073 B11R1.157 Cc1cccc(c1)OC(C)C 34a_100000210337_100000210206 [0,0,0,0,0,1|1,0,1]=3 2074 B11R1.157 Cc1cccc(c1)OC(C)C 7a_100000210337_100000210206 [0,0,0,0,0,1|1,0,1]=3 2075 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100000210206_100011215228 [0,0,0,0,0,1|1,0,1]=3 2076 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100011215228_100000210206 [0,0,0,0,0,1|1,0,1]=3 2077 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,0,0,0,0,1|1,0,0]=2 2078 B11R1.157 Cc1cccc(n1)CN(C)C 2230a_100000687132_200000210301 [0,0,0,0,0,1|3,0,0]=4 2079 B11R1.157 Cc1cccc(n1)CN(C)C 2230a_100102631434_100000757606 [0,0,0,0,0,1|3,0,0]=4 2080 B11R1.157 Cc1cccc(n1)CN(C)C 269982a_100000687132_200000210301 [0,0,0,0,0,1|3,0,0]=4 2081 B11R1.157 Cc1cccc(n1)CN(C)C 269982a_100102631434_100000757606 [0,0,0,0,0,1|3,0,0]=4 2082 B11R1.157 Cc1cccc(n1)CN(C)C 270004a_100102631434_100011215050 [0,0,0,0,0,1|3,0,0]=4 2083 B11R1.157 Cc1cccc(n1)CN(C)[13CH3] 2230a_100000687132_200025704644 [0,0,0,0,0,1|3,0,0]=4 2084 B11R1.157 Cc1cccc(n1)CN(C)[13CH3] 269982a_100000687132_200025704644 [0,0,0,0,0,1|3,0,0]=4 2085 B11R1.157 Cc1cccc(n1)SC(C)C 62a_100000210206_100000742759 [0,0,0,0,0,1|2,0,1]=4 2086 B11R1.157 Cc1cccc(n1)SC(C)C 62a_100000742759_100000210206 [0,0,0,0,0,1|2,0,1]=4 2087 B11R1.157 Cc1ccnc(c1)CN(C)C 2230a_100102631434_100000718516 [0,0,0,0,0,1|3,0,0]=4 2088 B11R1.157 Cc1ccnc(c1)CN(C)C 2230a_106354213154_200000210301 [0,0,0,0,0,1|3,0,0]=4 2089 B11R1.157 Cc1ccnc(c1)CN(C)C 269982a_100102631434_100000718516 [0,0,0,0,0,1|3,0,0]=4 2090 B11R1.157 Cc1ccnc(c1)CN(C)C 269982a_106354213154_200000210301 [0,0,0,0,0,1|3,0,0]=4 2091 B11R1.157 Cc1ccnc(c1)CN(C)C 270004a_100102631434_100011361488 [0,0,0,0,0,1|3,0,0]=4 2092 B11R1.157 Cc1ccnc(c1)CN(C)[13CH3] 2230a_106354213154_200025704644 [0,0,0,0,0,1|3,0,0]=4 2093 B11R1.157 Cc1ccnc(c1)CN(C)[13CH3] 269982a_106354213154_200025704644 [0,0,0,0,0,1|3,0,0]=4 2094 B11R1.157 Cc1ccnc(c1)SC(C)C 62a_100000210206_100000750283 [0,0,0,0,0,1|2,0,1]=4 2095 B11R1.157 Cc1ccnc(c1)SC(C)C 62a_100000750283_100000210206 [0,0,0,0,0,1|2,0,1]=4 2096 B11R1.157 Cc1cncc(c1)CN(C)C 2230a_100102631434_100000716715 [0,0,0,0,0,1|3,0,0]=4 2097 B11R1.157 Cc1cncc(c1)CN(C)C 269982a_100102631434_100000716715 [0,0,0,0,0,1|3,0,0]=4 2098 B11R1.157 Cc1cncc(c1)CN(C)C 270004a_100102631434_100011998712 [0,0,0,0,0,1|3,0,0]=4 2099 B11R1.157 Cc1cncc(c1)OC(C)C 34a_100011830280_100000210206 [0,0,0,0,0,1|2,0,1]=4 2100 B11R1.157 Cc1cncc(c1)OC(C)C 7a_100011830280_100000210206 [0,0,0,0,0,1|2,0,1]=4 2101 B11R1.157 Cc1cncc(c1)SC(C)C 62a_100000210206_100000760492 [0,0,0,0,0,1|2,0,1]=4 2102 B11R1.157 Cc1cncc(c1)SC(C)C 62a_100000760492_100000210206 [0,0,0,0,0,1|2,0,1]=4 2103 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [0,0,0,0,0,1|2,0,0]=3 2104 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [0,0,0,0,0,1|2,0,0]=3 2105 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,0,0,0,0,1|1,0,0]=2 2106 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,0,0,0,0,1|1,0,0]=2 2107 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,0,0,0,0,1|1,0,0]=2 2108 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,0,0,0,0,1|1,0,0]=2 2109 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,0,0,0,0,1|1,0,0]=2 2110 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [0,0,0,0,0,1|2,0,0]=3 2111 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,0,0,0,0,1|2,0,0]=3 2112 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [0,0,0,0,0,1|2,0,0]=3 2113 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [0,0,0,0,0,1|2,0,0]=3 2114 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [0,0,0,0,0,1|2,0,0]=3 2115 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [0,0,0,0,0,1|2,0,0]=3 2116 B8R0.9 C=CC(=NNC(=O)C)C 4a_100000189765_200015361842 [1,0,1,0,0,0|2,0,0]=4 2117 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [1,0,1,0,0,0|0,0,1]=3 2118 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [1,0,1,0,0,0|0,0,1]=3 2119 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [1,0,1,0,0,0|1,0,1]=4 2120 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [1,0,1,0,0,0|2,0,0]=4 2121 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [1,0,1,0,0,0|2,0,0]=4 2122 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [1,0,1,0,0,0|2,0,0]=4 2123 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,1]=3 2124 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|1,0,1]=4 2125 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,1]=4 2126 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|1,0,1]=4 2127 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,0]=3 2128 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|1,0,0]=3 2129 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|1,0,0]=3 2130 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|2,0,0]=4 2131 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|2,0,0]=4 2132 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [2,0,0,0,0,0|2,0,0]=4 2133 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|1,0,0]=3 2134 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|1,0,0]=3 2135 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|2,0,0]=4 2136 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|2,0,0]=4 2137 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|2,0,0]=4 2138 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|2,0,0]=4 2139 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [2,0,0,0,0,0|2,0,0]=4 2140 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [2,0,0,0,0,0|2,0,0]=4 2141 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,0]=3 2142 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|1,0,0]=3 2143 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|1,0,0]=3 2144 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|2,0,0]=4 2145 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|2,0,0]=4 2146 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [2,0,0,0,0,0|2,0,0]=4 2147 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|1,0,0]=3 2148 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|1,0,0]=3 2149 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|2,0,0]=4 2150 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|2,0,0]=4 2151 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|2,0,0]=4 2152 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|2,0,0]=4 2153 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [2,0,0,0,0,0|2,0,0]=4 2154 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [2,0,0,0,0,0|2,0,0]=4 2155 B8R1.4 C[n+]1cccc(c1)O 271570a_203496583355_100009996589 [2,0,0,0,0,0|1,0,1]=4 2156 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [2,0,0,0,0,0|1,0,1]=4 2157 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [2,0,0,0,0,0|0,0,1]=3 2158 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [2,0,0,0,0,0|1,0,1]=4 2159 B8R1.4 Cc1ccnc(c1)O 271570a_203496583355_100000750283 [2,0,0,0,0,0|1,0,1]=4 2160 B8R1.4 Cc1cncc(c1)O 271570a_203496583355_100000760492 [2,0,0,0,0,0|1,0,1]=4 2161 B8R1.4 Nc1cccc(c1)O 271570a_203496583355_100000210019 [2,0,0,0,0,0|1,0,1]=4 2162 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [2,0,0,0,0,0|2,0,0]=4 2163 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [2,0,0,0,0,0|2,0,0]=4 2164 B8R1.4 Oc1cccc(c1)Br 271570a_203496583355_100000691529 [2,0,0,0,0,0|1,0,1]=4 2165 B8R1.4 Oc1cccc(c1)Cl 271570a_203496583355_100000699651 [2,0,0,0,0,0|1,0,1]=4 2166 B8R1.4 Oc1cccc(c1)F 271570a_203496583355_100000685547 [2,0,0,0,0,0|1,0,1]=4 2167 B8R1.4 Oc1cccc(c1)O 271570a_203496583355_100000211634 [2,0,0,0,0,0|1,0,1]=4 2168 B8R1.4 Oc1cccc(c1)[S] 271570a_203496583355_114929384022 [2,0,0,0,0,0|1,0,1]=4 2169 B10R0.108 C=CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210623 [0,1,1,0,0,0|1,0,1]=4 2170 B10R1.2 C=Cc1cccc(c1Br)O 271570a_100011290941_100010187914 [1,1,0,0,0,0|1,0,1]=4 2171 B10R1.2 C=Cc1cccc(c1C)Br 271570a_100011290941_100012353703 [1,1,0,0,0,0|1,0,1]=4 2172 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [1,1,0,0,0,0|0,0,1]=3 2173 B10R1.2 C=Cc1cccc(c1C)Cl 271570a_100011290941_100000726075 [1,1,0,0,0,0|1,0,1]=4 2174 B10R1.2 C=Cc1cccc(c1C)F 271570a_100011290941_100011216893 [1,1,0,0,0,0|1,0,1]=4 2175 B10R1.2 C=Cc1cccc(c1C)N 271570a_100011290941_100000761887 [1,1,0,0,0,0|1,0,1]=4 2176 B10R1.2 C=Cc1cccc(c1C)O 271570a_100011290941_100012002258 [1,1,0,0,0,0|1,0,1]=4 2177 B10R1.2 C=Cc1cccc(c1Cl)Br 271570a_100011290941_100010142854 [1,1,0,0,0,0|1,0,1]=4 2178 B10R1.2 C=Cc1cccc(c1Cl)C 271570a_100011290941_200012352035 [1,1,0,0,0,0|0,0,1]=3 2179 B10R1.2 C=Cc1cccc(c1Cl)Cl 271570a_100011290941_100011215384 [1,1,0,0,0,0|1,0,1]=4 2180 B10R1.2 C=Cc1cccc(c1Cl)F 271570a_100011290941_200010234923 [1,1,0,0,0,0|1,0,1]=4 2181 B10R1.2 C=Cc1cccc(c1Cl)O 271570a_100011290941_100000049636 [1,1,0,0,0,0|1,0,1]=4 2182 B10R1.2 C=Cc1cccc(c1F)Br 271570a_100011290941_100000702267 [1,1,0,0,0,0|1,0,1]=4 2183 B10R1.2 C=Cc1cccc(c1F)C 271570a_100011290941_100000717567 [1,1,0,0,0,0|0,0,1]=3 2184 B10R1.2 C=Cc1cccc(c1F)Cl 271570a_100011290941_100011217346 [1,1,0,0,0,0|1,0,1]=4 2185 B10R1.2 C=Cc1cccc(c1F)F 271570a_100011290941_100000694657 [1,1,0,0,0,0|1,0,1]=4 2186 B10R1.2 C=Cc1cccc(c1F)N 271570a_100011290941_100011935091 [1,1,0,0,0,0|1,0,1]=4 2187 B10R1.2 C=Cc1cccc(c1F)O 271570a_100011290941_100009817021 [1,1,0,0,0,0|1,0,1]=4 2188 B10R1.2 C=Cc1cccc(c1N)Br 271570a_100011290941_100010146558 [1,1,0,0,0,0|1,0,1]=4 2189 B10R1.2 C=Cc1cccc(c1N)C 271570a_100011290941_100011834072 [1,1,0,0,0,0|0,0,1]=3 2190 B10R1.2 C=Cc1cccc(c1N)Cl 271570a_100011290941_100010190421 [1,1,0,0,0,0|1,0,1]=4 2191 B10R1.2 C=Cc1cccc(c1N)F 271570a_100011290941_100000042321 [1,1,0,0,0,0|1,0,1]=4 2192 B10R1.2 C=Cc1cccc(c1N)N 271570a_100011290941_100015191791 [1,1,0,0,0,0|1,0,1]=4 2193 B10R1.2 C=Cc1cccc(c1N)O 271570a_100011290941_100011934926 [1,1,0,0,0,0|1,0,1]=4 2194 B10R1.2 C=Cc1cccc(c1O)Br 271570a_100011290941_100010084509 [1,1,0,0,0,0|1,0,1]=4 2195 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [1,1,0,0,0,0|0,0,1]=3 2196 B10R1.2 C=Cc1cccc(c1O)Cl 271570a_100011290941_100010202889 [1,1,0,0,0,0|1,0,1]=4 2197 B10R1.2 C=Cc1cccc(c1O)F 271570a_100011290941_100009813666 [1,1,0,0,0,0|1,0,1]=4 2198 B10R1.2 C=Cc1cccc(c1O)N 271570a_100011290941_100011934915 [1,1,0,0,0,0|1,0,1]=4 2199 B10R1.2 C=Cc1cccc(c1O)O 271570a_100011290941_100009815950 [1,1,0,0,0,0|1,0,1]=4 2200 B10R1.2 C=Cc1cccn(c1=O)C 271570a_100011290941_100000687173 [1,1,0,0,0,0|1,0,1]=4 2201 B10R1.2 C=Cc1ccnc(c1C)C 271570a_100011290941_100009846815 [1,1,0,0,0,0|1,0,1]=4 2202 B10R1.2 C=Cc1ccnc(c1Cl)C 271570a_100011290941_100000698670 [1,1,0,0,0,0|1,0,1]=4 2203 B10R1.2 C=Cc1ccnc(c1F)C 271570a_100011290941_100009849794 [1,1,0,0,0,0|1,0,1]=4 2204 B10R1.2 C=Cc1ccnc(c1N)C 271570a_100011290941_100009885578 [1,1,0,0,0,0|1,0,1]=4 2205 B10R1.2 C=Cc1cncc(c1C)C 271570a_100011290941_100009864703 [1,1,0,0,0,0|1,0,1]=4 2206 B10R1.2 C=Cc1cncc(c1N)C 271570a_100011290941_100009818025 [1,1,0,0,0,0|1,0,1]=4 2207 B10R1.2 C=Cc1nccc(c1C)C 271570a_100011290941_100009847204 [1,1,0,0,0,0|1,0,1]=4 2208 B10R1.2 C=Cc1nccc(c1F)C 271570a_100011290941_100009817629 [1,1,0,0,0,0|1,0,1]=4 2209 B10R1.2 C=Cc1nccc(c1N)C 271570a_100011290941_100000763560 [1,1,0,0,0,0|1,0,1]=4 2210 B10R1.2 C=Cc1nccc(c1O)C 271570a_100011290941_100000696282 [1,1,0,0,0,0|1,0,1]=4 2211 B10R1.2 CCc1cccc(c1O)C 271570a_203496583355_100000036235 [1,1,0,0,0,0|0,0,1]=3 2212 B10R1.2 CCc1cccc(c1O)O 271570a_203496583355_200010001580 [1,1,0,0,0,0|1,0,1]=4 2213 B10R1.2 CNc1cccc(c1Br)C 34a_100000684715_200000210301 [1,1,0,0,0,0|1,0,0]=3 2214 B10R1.2 CNc1cccc(c1Br)Cl 34a_100000687072_200000210301 [1,1,0,0,0,0|2,0,0]=4 2215 B10R1.2 CNc1cccc(c1Br)F 34a_100011934729_200000210301 [1,1,0,0,0,0|2,0,0]=4 2216 B10R1.2 CNc1cccc(c1Br)O 34a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 2217 B10R1.2 CNc1cccc(c1Br)O 7a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 2218 B10R1.2 CNc1cccc(c1C)Br 34a_100000750434_200000210301 [1,1,0,0,0,0|2,0,0]=4 2219 B10R1.2 CNc1cccc(c1C)C 2230a_100000210026_200000210301 [1,1,0,0,0,0|1,0,0]=3 2220 B10R1.2 CNc1cccc(c1C)C 34a_100000210026_200000210301 [1,1,0,0,0,0|1,0,0]=3 2221 B10R1.2 CNc1cccc(c1C)C 7a_100000210026_200000210301 [1,1,0,0,0,0|1,0,0]=3 2222 B10R1.2 CNc1cccc(c1C)Cl 2230a_100000210441_200000210301 [1,1,0,0,0,0|2,0,0]=4 2223 B10R1.2 CNc1cccc(c1C)Cl 34a_100000210441_200000210301 [1,1,0,0,0,0|2,0,0]=4 2224 B10R1.2 CNc1cccc(c1C)Cl 7a_100000210441_200000210301 [1,1,0,0,0,0|2,0,0]=4 2225 B10R1.2 CNc1cccc(c1C)F 34a_100000745574_200000210301 [1,1,0,0,0,0|2,0,0]=4 2226 B10R1.2 CNc1cccc(c1C)F 7a_100000745574_200000210301 [1,1,0,0,0,0|2,0,0]=4 2227 B10R1.2 CNc1cccc(c1C)I 34a_100000761887_200000210301 [1,1,0,0,0,0|2,0,0]=4 2228 B10R1.2 CNc1cccc(c1C)O 34a_100011216573_200000210301 [1,1,0,0,0,0|2,0,0]=4 2229 B10R1.2 CNc1cccc(c1C)O 7a_100011216573_200000210301 [1,1,0,0,0,0|2,0,0]=4 2230 B10R1.2 CNc1cccc(c1Cl)Br 34a_100000687075_200000210301 [1,1,0,0,0,0|2,0,0]=4 2231 B10R1.2 CNc1cccc(c1Cl)C 34a_100000765562_200000210301 [1,1,0,0,0,0|1,0,0]=3 2232 B10R1.2 CNc1cccc(c1Cl)C 7a_100000765562_200000210301 [1,1,0,0,0,0|1,0,0]=3 2233 B10R1.2 CNc1cccc(c1Cl)Cl 34a_100000185733_200000210301 [1,1,0,0,0,0|2,0,0]=4 2234 B10R1.2 CNc1cccc(c1Cl)F 34a_100000692321_200000210301 [1,1,0,0,0,0|2,0,0]=4 2235 B10R1.2 CNc1cccc(c1Cl)O 34a_100012002038_200000210301 [1,1,0,0,0,0|2,0,0]=4 2236 B10R1.2 CNc1cccc(c1Cl)O 7a_100012002038_200000210301 [1,1,0,0,0,0|2,0,0]=4 2237 B10R1.2 CNc1cccc(c1F)Br 2230a_100011935091_200000210301 [1,1,0,0,0,0|2,0,0]=4 2238 B10R1.2 CNc1cccc(c1F)Br 34a_100011935091_200000210301 [1,1,0,0,0,0|2,0,0]=4 2239 B10R1.2 CNc1cccc(c1F)C 2230a_100000697159_200000210301 [1,1,0,0,0,0|1,0,0]=3 2240 B10R1.2 CNc1cccc(c1F)C 34a_100000697159_200000210301 [1,1,0,0,0,0|1,0,0]=3 2241 B10R1.2 CNc1cccc(c1F)C 7a_100000697159_200000210301 [1,1,0,0,0,0|1,0,0]=3 2242 B10R1.2 CNc1cccc(c1F)Cl 2230a_100000199060_200000210301 [1,1,0,0,0,0|2,0,0]=4 2243 B10R1.2 CNc1cccc(c1F)Cl 34a_100000199060_200000210301 [1,1,0,0,0,0|2,0,0]=4 2244 B10R1.2 CNc1cccc(c1F)F 34a_100000743855_200000210301 [1,1,0,0,0,0|2,0,0]=4 2245 B10R1.2 CNc1cccc(c1I)Br 34a_100020590159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2246 B10R1.2 CNc1cccc(c1I)C 34a_100000761888_200000210301 [1,1,0,0,0,0|1,0,0]=3 2247 B10R1.2 CNc1cccc(c1I)Cl 34a_100000049713_200000210301 [1,1,0,0,0,0|2,0,0]=4 2248 B10R1.2 CNc1cccc(c1I)F 34a_100000690935_200000210301 [1,1,0,0,0,0|2,0,0]=4 2249 B10R1.2 CNc1cccc(c1N)O 271570a_203496583355_100000695761 [1,1,0,0,0,0|2,0,0]=4 2250 B10R1.2 CNc1cccc(c1O)Br 34a_100011934915_200000210301 [1,1,0,0,0,0|2,0,0]=4 2251 B10R1.2 CNc1cccc(c1O)C 34a_100000756359_200000210301 [1,1,0,0,0,0|1,0,0]=3 2252 B10R1.2 CNc1cccc(c1O)Cl 34a_100000754742_200000210301 [1,1,0,0,0,0|2,0,0]=4 2253 B10R1.2 CNc1cccc(c1O)F 34a_100011934987_200000210301 [1,1,0,0,0,0|2,0,0]=4 2254 B10R1.2 CNc1ccnc(c1Cl)C 27a_100102657272_100000698670 [1,1,0,0,0,0|2,0,0]=4 2255 B10R1.2 CNc1ccnc(c1F)C 27a_100102657272_100009849794 [1,1,0,0,0,0|2,0,0]=4 2256 B10R1.2 COc1cccc(c1Br)Br 34a_100010187966_200000210301 [1,1,0,0,0,0|2,0,0]=4 2257 B10R1.2 COc1cccc(c1Br)Br 7a_100010187966_200000210301 [1,1,0,0,0,0|2,0,0]=4 2258 B10R1.2 COc1cccc(c1Br)C 34a_100000686692_200000210301 [1,1,0,0,0,0|1,0,0]=3 2259 B10R1.2 COc1cccc(c1Br)C 7a_100000686692_200000210301 [1,1,0,0,0,0|1,0,0]=3 2260 B10R1.2 COc1cccc(c1Br)Cl 34a_100012348804_200000210301 [1,1,0,0,0,0|2,0,0]=4 2261 B10R1.2 COc1cccc(c1Br)Cl 7a_100012348804_200000210301 [1,1,0,0,0,0|2,0,0]=4 2262 B10R1.2 COc1cccc(c1Br)F 34a_100009820682_200000210301 [1,1,0,0,0,0|2,0,0]=4 2263 B10R1.2 COc1cccc(c1Br)F 7a_100009820682_200000210301 [1,1,0,0,0,0|2,0,0]=4 2264 B10R1.2 COc1cccc(c1Br)I 34a_100010187914_200000210301 [1,1,0,0,0,0|2,0,0]=4 2265 B10R1.2 COc1cccc(c1Br)I 7a_100010187914_200000210301 [1,1,0,0,0,0|2,0,0]=4 2266 B10R1.2 COc1cccc(c1Br)N 34a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 2267 B10R1.2 COc1cccc(c1Br)N 7a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 2268 B10R1.2 COc1cccc(c1C)Br 34a_100012002258_200000210301 [1,1,0,0,0,0|2,0,0]=4 2269 B10R1.2 COc1cccc(c1C)Br 7a_100012002258_200000210301 [1,1,0,0,0,0|2,0,0]=4 2270 B10R1.2 COc1cccc(c1C)C 34a_100000185855_200000210301 [1,1,0,0,0,0|1,0,0]=3 2271 B10R1.2 COc1cccc(c1C)C 7a_100000185855_200000210301 [1,1,0,0,0,0|1,0,0]=3 2272 B10R1.2 COc1cccc(c1C)Cl 34a_100011265684_200000210301 [1,1,0,0,0,0|2,0,0]=4 2273 B10R1.2 COc1cccc(c1C)Cl 7a_100011265684_200000210301 [1,1,0,0,0,0|2,0,0]=4 2274 B10R1.2 COc1cccc(c1C)F 34a_100011217231_200000210301 [1,1,0,0,0,0|2,0,0]=4 2275 B10R1.2 COc1cccc(c1C)F 7a_100011217231_200000210301 [1,1,0,0,0,0|2,0,0]=4 2276 B10R1.2 COc1cccc(c1C)N 34a_100011216573_200000210301 [1,1,0,0,0,0|2,0,0]=4 2277 B10R1.2 COc1cccc(c1C)N 7a_100011216573_200000210301 [1,1,0,0,0,0|2,0,0]=4 2278 B10R1.2 COc1cccc(c1C)O 271570a_203496583355_100010002647 [1,1,0,0,0,0|2,0,0]=4 2279 B10R1.2 COc1cccc(c1Cl)Br 34a_100010187913_200000210301 [1,1,0,0,0,0|2,0,0]=4 2280 B10R1.2 COc1cccc(c1Cl)Br 7a_100010187913_200000210301 [1,1,0,0,0,0|2,0,0]=4 2281 B10R1.2 COc1cccc(c1Cl)C 34a_100000695629_200000210301 [1,1,0,0,0,0|1,0,0]=3 2282 B10R1.2 COc1cccc(c1Cl)C 7a_100000695629_200000210301 [1,1,0,0,0,0|1,0,0]=3 2283 B10R1.2 COc1cccc(c1Cl)Cl 34a_100000211076_200000210301 [1,1,0,0,0,0|2,0,0]=4 2284 B10R1.2 COc1cccc(c1Cl)Cl 7a_100000211076_200000210301 [1,1,0,0,0,0|2,0,0]=4 2285 B10R1.2 COc1cccc(c1Cl)F 34a_100000087408_200000210301 [1,1,0,0,0,0|2,0,0]=4 2286 B10R1.2 COc1cccc(c1Cl)F 7a_100000087408_200000210301 [1,1,0,0,0,0|2,0,0]=4 2287 B10R1.2 COc1cccc(c1Cl)I 34a_100000049636_200000210301 [1,1,0,0,0,0|2,0,0]=4 2288 B10R1.2 COc1cccc(c1Cl)I 7a_100000049636_200000210301 [1,1,0,0,0,0|2,0,0]=4 2289 B10R1.2 COc1cccc(c1Cl)N 34a_100012002038_200000210301 [1,1,0,0,0,0|2,0,0]=4 2290 B10R1.2 COc1cccc(c1Cl)N 7a_100012002038_200000210301 [1,1,0,0,0,0|2,0,0]=4 2291 B10R1.2 COc1cccc(c1Cl)O 271570a_203496583355_100010147677 [1,1,0,0,0,0|2,0,0]=4 2292 B10R1.2 COc1cccc(c1F)Br 34a_100009817021_200000210301 [1,1,0,0,0,0|2,0,0]=4 2293 B10R1.2 COc1cccc(c1F)Br 7a_100009817021_200000210301 [1,1,0,0,0,0|2,0,0]=4 2294 B10R1.2 COc1cccc(c1F)C 34a_100000751311_200000210301 [1,1,0,0,0,0|1,0,0]=3 2295 B10R1.2 COc1cccc(c1F)C 7a_100000751311_200000210301 [1,1,0,0,0,0|1,0,0]=3 2296 B10R1.2 COc1cccc(c1F)Cl 34a_100000687438_200000210301 [1,1,0,0,0,0|2,0,0]=4 2297 B10R1.2 COc1cccc(c1F)Cl 7a_100000687438_200000210301 [1,1,0,0,0,0|2,0,0]=4 2298 B10R1.2 COc1cccc(c1F)F 34a_100000751161_200000210301 [1,1,0,0,0,0|2,0,0]=4 2299 B10R1.2 COc1cccc(c1F)F 7a_100000751161_200000210301 [1,1,0,0,0,0|2,0,0]=4 2300 B10R1.2 COc1cccc(c1F)O 271570a_203496583355_100010185846 [1,1,0,0,0,0|2,0,0]=4 2301 B10R1.2 COc1cccc(c1I)Br 34a_100010187912_200000210301 [1,1,0,0,0,0|2,0,0]=4 2302 B10R1.2 COc1cccc(c1I)Br 7a_100010187912_200000210301 [1,1,0,0,0,0|2,0,0]=4 2303 B10R1.2 COc1cccc(c1I)C 34a_100010083724_200000210301 [1,1,0,0,0,0|1,0,0]=3 2304 B10R1.2 COc1cccc(c1I)C 7a_100010083724_200000210301 [1,1,0,0,0,0|1,0,0]=3 2305 B10R1.2 COc1cccc(c1I)Cl 34a_100000050174_200000210301 [1,1,0,0,0,0|2,0,0]=4 2306 B10R1.2 COc1cccc(c1I)Cl 7a_100000050174_200000210301 [1,1,0,0,0,0|2,0,0]=4 2307 B10R1.2 COc1cccc(c1I)F 34a_100000690913_200000210301 [1,1,0,0,0,0|2,0,0]=4 2308 B10R1.2 COc1cccc(c1I)F 7a_100000690913_200000210301 [1,1,0,0,0,0|2,0,0]=4 2309 B10R1.2 COc1cccc(c1N)Br 34a_100011934926_200000210301 [1,1,0,0,0,0|2,0,0]=4 2310 B10R1.2 COc1cccc(c1N)Br 7a_100011934926_200000210301 [1,1,0,0,0,0|2,0,0]=4 2311 B10R1.2 COc1cccc(c1N)C 34a_100000743429_200000210301 [1,1,0,0,0,0|1,0,0]=3 2312 B10R1.2 COc1cccc(c1N)C 7a_100000743429_200000210301 [1,1,0,0,0,0|1,0,0]=3 2313 B10R1.2 COc1cccc(c1N)Cl 34a_100012022510_200000210301 [1,1,0,0,0,0|2,0,0]=4 2314 B10R1.2 COc1cccc(c1N)Cl 7a_100012022510_200000210301 [1,1,0,0,0,0|2,0,0]=4 2315 B10R1.2 COc1cccc(c1N)F 34a_100020591140_200000210301 [1,1,0,0,0,0|2,0,0]=4 2316 B10R1.2 COc1cccc(c1N)F 7a_100020591140_200000210301 [1,1,0,0,0,0|2,0,0]=4 2317 B10R1.2 COc1cccc(c1N)I 34a_200000049512_200000210301 [1,1,0,0,0,0|2,0,0]=4 2318 B10R1.2 COc1cccc(c1N)I 7a_200000049512_200000210301 [1,1,0,0,0,0|2,0,0]=4 2319 B10R1.2 COc1cccc(c1N)N 34a_100000033209_200000210301 [1,1,0,0,0,0|2,0,0]=4 2320 B10R1.2 COc1cccc(c1N)O 271570a_203496583355_100000708083 [1,1,0,0,0,0|2,0,0]=4 2321 B10R1.2 COc1cccc(c1O)Br 271570a_203496583355_100010131421 [1,1,0,0,0,0|2,0,0]=4 2322 B10R1.2 COc1cccc(c1O)F 271570a_203496583355_100000041735 [1,1,0,0,0,0|2,0,0]=4 2323 B10R1.2 COc1cccc(c1O)N 271570a_203496583355_100000703447 [1,1,0,0,0,0|2,0,0]=4 2324 B10R1.2 COc1cccc(c1O)O 271570a_203496583355_100000686866 [1,1,0,0,0,0|2,0,0]=4 2325 B10R1.2 COc1cccc(c1O)O 271570a_203496583355_100010202623 [1,1,0,0,0,0|2,0,0]=4 2326 B10R1.2 COc1cccn(c1=O)C 34a_100000117616_200000210301 [1,1,0,0,0,0|2,0,0]=4 2327 B10R1.2 COc1cccn(c1=O)C 7a_100000117616_200000210301 [1,1,0,0,0,0|2,0,0]=4 2328 B10R1.2 COc1nccc(c1Br)C 34a_100012000493_200000210301 [1,1,0,0,0,0|2,0,0]=4 2329 B10R1.2 COc1nccc(c1O)C 271570a_203496583355_100012353928 [1,1,0,0,0,0|2,0,0]=4 2330 B10R1.2 CSc1cccc(c1Br)Br 62a_100010175083_200000210301 [1,1,0,0,0,0|2,0,0]=4 2331 B10R1.2 CSc1cccc(c1Br)Br 62a_200000210301_100010175083 [1,1,0,0,0,0|2,0,0]=4 2332 B10R1.2 CSc1cccc(c1Br)C 62a_100012362457_200000210301 [1,1,0,0,0,0|1,0,0]=3 2333 B10R1.2 CSc1cccc(c1Br)C 62a_200000210301_100012362457 [1,1,0,0,0,0|1,0,0]=3 2334 B10R1.2 CSc1cccc(c1Br)Cl 62a_100014021842_200000210301 [1,1,0,0,0,0|2,0,0]=4 2335 B10R1.2 CSc1cccc(c1Br)Cl 62a_200000210301_100014021842 [1,1,0,0,0,0|2,0,0]=4 2336 B10R1.2 CSc1cccc(c1Br)F 62a_100010202630_200000210301 [1,1,0,0,0,0|2,0,0]=4 2337 B10R1.2 CSc1cccc(c1Br)F 62a_200000210301_100010202630 [1,1,0,0,0,0|2,0,0]=4 2338 B10R1.2 CSc1cccc(c1Br)O 62a_100010187914_200000210301 [1,1,0,0,0,0|2,0,0]=4 2339 B10R1.2 CSc1cccc(c1Br)O 62a_200000210301_100010187914 [1,1,0,0,0,0|2,0,0]=4 2340 B10R1.2 CSc1cccc(c1C)Br 62a_100012353703_200000210301 [1,1,0,0,0,0|2,0,0]=4 2341 B10R1.2 CSc1cccc(c1C)Br 62a_200000210301_100012353703 [1,1,0,0,0,0|2,0,0]=4 2342 B10R1.2 CSc1cccc(c1C)C 62a_100011214922_200000210301 [1,1,0,0,0,0|1,0,0]=3 2343 B10R1.2 CSc1cccc(c1C)C 62a_200000210301_100011214922 [1,1,0,0,0,0|1,0,0]=3 2344 B10R1.2 CSc1cccc(c1C)Cl 62a_100000726075_200000210301 [1,1,0,0,0,0|2,0,0]=4 2345 B10R1.2 CSc1cccc(c1C)Cl 62a_200000210301_100000726075 [1,1,0,0,0,0|2,0,0]=4 2346 B10R1.2 CSc1cccc(c1C)F 62a_100011216893_200000210301 [1,1,0,0,0,0|2,0,0]=4 2347 B10R1.2 CSc1cccc(c1C)F 62a_200000210301_100011216893 [1,1,0,0,0,0|2,0,0]=4 2348 B10R1.2 CSc1cccc(c1C)N 62a_100000761887_200000210301 [1,1,0,0,0,0|2,0,0]=4 2349 B10R1.2 CSc1cccc(c1C)N 62a_200000210301_100000761887 [1,1,0,0,0,0|2,0,0]=4 2350 B10R1.2 CSc1cccc(c1C)O 62a_100012002258_200000210301 [1,1,0,0,0,0|2,0,0]=4 2351 B10R1.2 CSc1cccc(c1C)O 62a_200000210301_100012002258 [1,1,0,0,0,0|2,0,0]=4 2352 B10R1.2 CSc1cccc(c1Cl)Br 62a_100010142854_200000210301 [1,1,0,0,0,0|2,0,0]=4 2353 B10R1.2 CSc1cccc(c1Cl)Br 62a_200000210301_100010142854 [1,1,0,0,0,0|2,0,0]=4 2354 B10R1.2 CSc1cccc(c1Cl)C 62a_200000210301_200012352035 [1,1,0,0,0,0|1,0,0]=3 2355 B10R1.2 CSc1cccc(c1Cl)C 62a_200012352035_200000210301 [1,1,0,0,0,0|1,0,0]=3 2356 B10R1.2 CSc1cccc(c1Cl)Cl 62a_100011215384_200000210301 [1,1,0,0,0,0|2,0,0]=4 2357 B10R1.2 CSc1cccc(c1Cl)Cl 62a_200000210301_100011215384 [1,1,0,0,0,0|2,0,0]=4 2358 B10R1.2 CSc1cccc(c1Cl)F 62a_200000210301_200010234923 [1,1,0,0,0,0|2,0,0]=4 2359 B10R1.2 CSc1cccc(c1Cl)F 62a_200010234923_200000210301 [1,1,0,0,0,0|2,0,0]=4 2360 B10R1.2 CSc1cccc(c1Cl)O 62a_200000210301_100000049636 [1,1,0,0,0,0|2,0,0]=4 2361 B10R1.2 CSc1cccc(c1F)Br 62a_100000702267_200000210301 [1,1,0,0,0,0|2,0,0]=4 2362 B10R1.2 CSc1cccc(c1F)Br 62a_200000210301_100000702267 [1,1,0,0,0,0|2,0,0]=4 2363 B10R1.2 CSc1cccc(c1F)C 62a_100000717567_200000210301 [1,1,0,0,0,0|1,0,0]=3 2364 B10R1.2 CSc1cccc(c1F)C 62a_200000210301_100000717567 [1,1,0,0,0,0|1,0,0]=3 2365 B10R1.2 CSc1cccc(c1F)Cl 62a_100011217346_200000210301 [1,1,0,0,0,0|2,0,0]=4 2366 B10R1.2 CSc1cccc(c1F)Cl 62a_200000210301_100011217346 [1,1,0,0,0,0|2,0,0]=4 2367 B10R1.2 CSc1cccc(c1F)F 62a_100000694657_200000210301 [1,1,0,0,0,0|2,0,0]=4 2368 B10R1.2 CSc1cccc(c1F)F 62a_200000210301_100000694657 [1,1,0,0,0,0|2,0,0]=4 2369 B10R1.2 CSc1cccc(c1F)N 62a_100011935091_200000210301 [1,1,0,0,0,0|2,0,0]=4 2370 B10R1.2 CSc1cccc(c1F)N 62a_200000210301_100011935091 [1,1,0,0,0,0|2,0,0]=4 2371 B10R1.2 CSc1cccc(c1F)O 62a_100009817021_200000210301 [1,1,0,0,0,0|2,0,0]=4 2372 B10R1.2 CSc1cccc(c1F)O 62a_200000210301_100009817021 [1,1,0,0,0,0|2,0,0]=4 2373 B10R1.2 CSc1cccc(c1N)Br 62a_100010146558_200000210301 [1,1,0,0,0,0|2,0,0]=4 2374 B10R1.2 CSc1cccc(c1N)Br 62a_200000210301_100010146558 [1,1,0,0,0,0|2,0,0]=4 2375 B10R1.2 CSc1cccc(c1N)C 62a_100011834072_200000210301 [1,1,0,0,0,0|1,0,0]=3 2376 B10R1.2 CSc1cccc(c1N)C 62a_200000210301_100011834072 [1,1,0,0,0,0|1,0,0]=3 2377 B10R1.2 CSc1cccc(c1N)Cl 62a_100010190421_200000210301 [1,1,0,0,0,0|2,0,0]=4 2378 B10R1.2 CSc1cccc(c1N)Cl 62a_200000210301_100010190421 [1,1,0,0,0,0|2,0,0]=4 2379 B10R1.2 CSc1cccc(c1N)F 62a_100000042321_200000210301 [1,1,0,0,0,0|2,0,0]=4 2380 B10R1.2 CSc1cccc(c1N)F 62a_200000210301_100000042321 [1,1,0,0,0,0|2,0,0]=4 2381 B10R1.2 CSc1cccc(c1N)N 62a_100015191791_200000210301 [1,1,0,0,0,0|2,0,0]=4 2382 B10R1.2 CSc1cccc(c1N)O 62a_200000210301_100011934926 [1,1,0,0,0,0|2,0,0]=4 2383 B10R1.2 CSc1cccc(c1O)Br 62a_100010084509_200000210301 [1,1,0,0,0,0|2,0,0]=4 2384 B10R1.2 CSc1cccc(c1O)Br 62a_200000210301_100010084509 [1,1,0,0,0,0|2,0,0]=4 2385 B10R1.2 CSc1cccc(c1O)C 62a_100009817157_200000210301 [1,1,0,0,0,0|1,0,0]=3 2386 B10R1.2 CSc1cccc(c1O)C 62a_200000210301_100009817157 [1,1,0,0,0,0|1,0,0]=3 2387 B10R1.2 CSc1cccc(c1O)Cl 62a_100010202889_200000210301 [1,1,0,0,0,0|2,0,0]=4 2388 B10R1.2 CSc1cccc(c1O)Cl 62a_200000210301_100010202889 [1,1,0,0,0,0|2,0,0]=4 2389 B10R1.2 CSc1cccc(c1O)F 62a_100009813666_200000210301 [1,1,0,0,0,0|2,0,0]=4 2390 B10R1.2 CSc1cccc(c1O)F 62a_200000210301_100009813666 [1,1,0,0,0,0|2,0,0]=4 2391 B10R1.2 CSc1cccc(c1O)N 62a_100011934915_200000210301 [1,1,0,0,0,0|2,0,0]=4 2392 B10R1.2 CSc1cccc(c1O)N 62a_200000210301_100010084371 [1,1,0,0,0,0|2,0,0]=4 2393 B10R1.2 CSc1cccc(c1O)O 62a_200000210301_100009815950 [1,1,0,0,0,0|2,0,0]=4 2394 B10R1.2 CSc1cccn(c1=O)C 62a_100000687173_200000210301 [1,1,0,0,0,0|2,0,0]=4 2395 B10R1.2 CSc1cccn(c1=O)C 62a_200000210301_100000687173 [1,1,0,0,0,0|2,0,0]=4 2396 B10R1.2 CSc1ccnc(c1C)C 62a_100009846815_200000210301 [1,1,0,0,0,0|2,0,0]=4 2397 B10R1.2 CSc1ccnc(c1C)C 62a_200000210301_100009846815 [1,1,0,0,0,0|2,0,0]=4 2398 B10R1.2 CSc1ccnc(c1Cl)C 62a_100000698670_200000210301 [1,1,0,0,0,0|2,0,0]=4 2399 B10R1.2 CSc1ccnc(c1Cl)C 62a_200000210301_100000698670 [1,1,0,0,0,0|2,0,0]=4 2400 B10R1.2 CSc1ccnc(c1F)C 62a_100009849794_200000210301 [1,1,0,0,0,0|2,0,0]=4 2401 B10R1.2 CSc1ccnc(c1F)C 62a_200000210301_100009849794 [1,1,0,0,0,0|2,0,0]=4 2402 B10R1.2 CSc1ccnc(c1N)C 62a_100009885578_200000210301 [1,1,0,0,0,0|2,0,0]=4 2403 B10R1.2 CSc1ccnc(c1N)C 62a_200000210301_100009885578 [1,1,0,0,0,0|2,0,0]=4 2404 B10R1.2 CSc1cncc(c1C)C 62a_100009864703_200000210301 [1,1,0,0,0,0|2,0,0]=4 2405 B10R1.2 CSc1cncc(c1C)C 62a_200000210301_100009864703 [1,1,0,0,0,0|2,0,0]=4 2406 B10R1.2 CSc1cncc(c1N)C 62a_100009818025_200000210301 [1,1,0,0,0,0|2,0,0]=4 2407 B10R1.2 CSc1cncc(c1N)C 62a_200000210301_100009818025 [1,1,0,0,0,0|2,0,0]=4 2408 B10R1.2 CSc1nccc(c1C)C 62a_100009847204_200000210301 [1,1,0,0,0,0|2,0,0]=4 2409 B10R1.2 CSc1nccc(c1C)C 62a_200000210301_100009847204 [1,1,0,0,0,0|2,0,0]=4 2410 B10R1.2 CSc1nccc(c1F)C 62a_100009817629_200000210301 [1,1,0,0,0,0|2,0,0]=4 2411 B10R1.2 CSc1nccc(c1F)C 62a_200000210301_100009817629 [1,1,0,0,0,0|2,0,0]=4 2412 B10R1.2 CSc1nccc(c1N)C 62a_100000763560_200000210301 [1,1,0,0,0,0|2,0,0]=4 2413 B10R1.2 CSc1nccc(c1N)C 62a_200000210301_100000763560 [1,1,0,0,0,0|2,0,0]=4 2414 B10R1.2 CSc1nccc(c1O)C 62a_200000210301_100000696282 [1,1,0,0,0,0|2,0,0]=4 2415 B10R1.2 Cc1c(cccc1C=O)O 271570a_203496583355_100012179384 [1,1,0,0,0,0|1,0,0]=3 2416 B10R1.2 Cc1c(cccc1N[13CH3])Br 34a_100000750434_200025704644 [1,1,0,0,0,0|2,0,0]=4 2417 B10R1.2 Cc1c(cccc1N[13CH3])Cl 2230a_100000210441_200025704644 [1,1,0,0,0,0|2,0,0]=4 2418 B10R1.2 Cc1c(cccc1N[13CH3])Cl 34a_100000210441_200025704644 [1,1,0,0,0,0|2,0,0]=4 2419 B10R1.2 Cc1c(cccc1N[13CH3])Cl 7a_100000210441_200025704644 [1,1,0,0,0,0|2,0,0]=4 2420 B10R1.2 Cc1c(cccc1N[13CH3])F 34a_100000745574_200025704644 [1,1,0,0,0,0|2,0,0]=4 2421 B10R1.2 Cc1c(cccc1N[13CH3])F 7a_100000745574_200025704644 [1,1,0,0,0,0|2,0,0]=4 2422 B10R1.2 Cc1c(cccc1N[13CH3])I 34a_100000761887_200025704644 [1,1,0,0,0,0|2,0,0]=4 2423 B10R1.2 Cc1c(cccc1N[13CH3])O 34a_100011216573_200025704644 [1,1,0,0,0,0|2,0,0]=4 2424 B10R1.2 Cc1c(cccc1N[13CH3])O 7a_100011216573_200025704644 [1,1,0,0,0,0|2,0,0]=4 2425 B10R1.2 Cc1c(cccc1O[13CH3])Br 34a_100012002258_200025704644 [1,1,0,0,0,0|2,0,0]=4 2426 B10R1.2 Cc1c(cccc1O[13CH3])Br 7a_100012002258_200025704644 [1,1,0,0,0,0|2,0,0]=4 2427 B10R1.2 Cc1c(cccc1O[13CH3])Cl 34a_100011265684_200025704644 [1,1,0,0,0,0|2,0,0]=4 2428 B10R1.2 Cc1c(cccc1O[13CH3])Cl 7a_100011265684_200025704644 [1,1,0,0,0,0|2,0,0]=4 2429 B10R1.2 Cc1c(cccc1O[13CH3])F 34a_100011217231_200025704644 [1,1,0,0,0,0|2,0,0]=4 2430 B10R1.2 Cc1c(cccc1O[13CH3])F 7a_100011217231_200025704644 [1,1,0,0,0,0|2,0,0]=4 2431 B10R1.2 Cc1c(cccc1O[13CH3])N 34a_100011216573_200025704644 [1,1,0,0,0,0|2,0,0]=4 2432 B10R1.2 Cc1c(cccc1O[13CH3])N 7a_100011216573_200025704644 [1,1,0,0,0,0|2,0,0]=4 2433 B10R1.2 Cc1c(cccc1S[13CH3])Br 62a_100012353703_200025704644 [1,1,0,0,0,0|2,0,0]=4 2434 B10R1.2 Cc1c(cccc1S[13CH3])Br 62a_200025704644_100012353703 [1,1,0,0,0,0|2,0,0]=4 2435 B10R1.2 Cc1c(cccc1S[13CH3])Cl 62a_100000726075_200025704644 [1,1,0,0,0,0|2,0,0]=4 2436 B10R1.2 Cc1c(cccc1S[13CH3])Cl 62a_200025704644_100000726075 [1,1,0,0,0,0|2,0,0]=4 2437 B10R1.2 Cc1c(cccc1S[13CH3])F 62a_100011216893_200025704644 [1,1,0,0,0,0|2,0,0]=4 2438 B10R1.2 Cc1c(cccc1S[13CH3])F 62a_200025704644_100011216893 [1,1,0,0,0,0|2,0,0]=4 2439 B10R1.2 Cc1c(cccc1S[13CH3])N 62a_100000761887_200025704644 [1,1,0,0,0,0|2,0,0]=4 2440 B10R1.2 Cc1c(cccc1S[13CH3])N 62a_200025704644_100000761887 [1,1,0,0,0,0|2,0,0]=4 2441 B10R1.2 Cc1c(cccc1S[13CH3])O 62a_100012002258_200025704644 [1,1,0,0,0,0|2,0,0]=4 2442 B10R1.2 Cc1c(cccc1S[13CH3])O 62a_200025704644_100012002258 [1,1,0,0,0,0|2,0,0]=4 2443 B10R1.2 Cc1c(ccnc1O)C=O 271570a_203496583355_100000096011 [1,1,0,0,0,0|2,0,0]=4 2444 B10R1.2 Cc1c(cncc1C=O)O 271570a_203496583355_100010214934 [1,1,0,0,0,0|2,0,0]=4 2445 B10R1.2 Cc1cccc(c1Br)N[13CH3] 34a_100000684715_200025704644 [1,1,0,0,0,0|1,0,0]=3 2446 B10R1.2 Cc1cccc(c1Br)O[13CH3] 34a_100000686692_200025704644 [1,1,0,0,0,0|1,0,0]=3 2447 B10R1.2 Cc1cccc(c1Br)O[13CH3] 7a_100000686692_200025704644 [1,1,0,0,0,0|1,0,0]=3 2448 B10R1.2 Cc1cccc(c1Br)S[13CH3] 62a_100012362457_200025704644 [1,1,0,0,0,0|1,0,0]=3 2449 B10R1.2 Cc1cccc(c1Br)S[13CH3] 62a_200025704644_100012362457 [1,1,0,0,0,0|1,0,0]=3 2450 B10R1.2 Cc1cccc(c1C)N[13CH3] 2230a_100000210026_200025704644 [1,1,0,0,0,0|1,0,0]=3 2451 B10R1.2 Cc1cccc(c1C)N[13CH3] 34a_100000210026_200025704644 [1,1,0,0,0,0|1,0,0]=3 2452 B10R1.2 Cc1cccc(c1C)N[13CH3] 7a_100000210026_200025704644 [1,1,0,0,0,0|1,0,0]=3 2453 B10R1.2 Cc1cccc(c1C)O[13CH3] 34a_100000185855_200025704644 [1,1,0,0,0,0|1,0,0]=3 2454 B10R1.2 Cc1cccc(c1C)O[13CH3] 7a_100000185855_200025704644 [1,1,0,0,0,0|1,0,0]=3 2455 B10R1.2 Cc1cccc(c1C)S[13CH3] 62a_100011214922_200025704644 [1,1,0,0,0,0|1,0,0]=3 2456 B10R1.2 Cc1cccc(c1C)S[13CH3] 62a_200025704644_100011214922 [1,1,0,0,0,0|1,0,0]=3 2457 B10R1.2 Cc1cccc(c1Cl)N[13CH3] 34a_100000765562_200025704644 [1,1,0,0,0,0|1,0,0]=3 2458 B10R1.2 Cc1cccc(c1Cl)N[13CH3] 7a_100000765562_200025704644 [1,1,0,0,0,0|1,0,0]=3 2459 B10R1.2 Cc1cccc(c1Cl)O[13CH3] 34a_100000695629_200025704644 [1,1,0,0,0,0|1,0,0]=3 2460 B10R1.2 Cc1cccc(c1Cl)O[13CH3] 7a_100000695629_200025704644 [1,1,0,0,0,0|1,0,0]=3 2461 B10R1.2 Cc1cccc(c1Cl)S[13CH3] 62a_200012352035_200025704644 [1,1,0,0,0,0|1,0,0]=3 2462 B10R1.2 Cc1cccc(c1Cl)S[13CH3] 62a_200025704644_200012352035 [1,1,0,0,0,0|1,0,0]=3 2463 B10R1.2 Cc1cccc(c1F)N[13CH3] 2230a_100000697159_200025704644 [1,1,0,0,0,0|1,0,0]=3 2464 B10R1.2 Cc1cccc(c1F)N[13CH3] 34a_100000697159_200025704644 [1,1,0,0,0,0|1,0,0]=3 2465 B10R1.2 Cc1cccc(c1F)N[13CH3] 7a_100000697159_200025704644 [1,1,0,0,0,0|1,0,0]=3 2466 B10R1.2 Cc1cccc(c1F)O[13CH3] 34a_100000751311_200025704644 [1,1,0,0,0,0|1,0,0]=3 2467 B10R1.2 Cc1cccc(c1F)O[13CH3] 7a_100000751311_200025704644 [1,1,0,0,0,0|1,0,0]=3 2468 B10R1.2 Cc1cccc(c1F)S[13CH3] 62a_100000717567_200025704644 [1,1,0,0,0,0|1,0,0]=3 2469 B10R1.2 Cc1cccc(c1F)S[13CH3] 62a_200025704644_100000717567 [1,1,0,0,0,0|1,0,0]=3 2470 B10R1.2 Cc1cccc(c1I)N[13CH3] 34a_100000761888_200025704644 [1,1,0,0,0,0|1,0,0]=3 2471 B10R1.2 Cc1cccc(c1I)O[13CH3] 34a_100010083724_200025704644 [1,1,0,0,0,0|1,0,0]=3 2472 B10R1.2 Cc1cccc(c1I)O[13CH3] 7a_100010083724_200025704644 [1,1,0,0,0,0|1,0,0]=3 2473 B10R1.2 Cc1cccc(c1N)O[13CH3] 34a_100000743429_200025704644 [1,1,0,0,0,0|1,0,0]=3 2474 B10R1.2 Cc1cccc(c1N)O[13CH3] 7a_100000743429_200025704644 [1,1,0,0,0,0|1,0,0]=3 2475 B10R1.2 Cc1cccc(c1N)S[13CH3] 62a_100011834072_200025704644 [1,1,0,0,0,0|1,0,0]=3 2476 B10R1.2 Cc1cccc(c1N)S[13CH3] 62a_200025704644_100011834072 [1,1,0,0,0,0|1,0,0]=3 2477 B10R1.2 Cc1cccc(c1O)C#N 271570a_203496583355_100011934862 [1,1,0,0,0,0|1,0,1]=4 2478 B10R1.2 Cc1cccc(c1O)CO 271570a_203496583355_100011659289 [1,1,0,0,0,0|0,0,2]=4 2479 B10R1.2 Cc1cccc(c1O)N[13CH3] 34a_100000756359_200025704644 [1,1,0,0,0,0|1,0,0]=3 2480 B10R1.2 Cc1cccc(c1O)S[13CH3] 62a_100009817157_200025704644 [1,1,0,0,0,0|1,0,0]=3 2481 B10R1.2 Cc1cccc(c1O)S[13CH3] 62a_200025704644_100009817157 [1,1,0,0,0,0|1,0,0]=3 2482 B10R1.2 Cc1ccnc(c1Br)O[13CH3] 34a_100012000493_200025704644 [1,1,0,0,0,0|2,0,0]=4 2483 B10R1.2 Cc1ccnc(c1C)S[13CH3] 62a_100009847204_200025704644 [1,1,0,0,0,0|2,0,0]=4 2484 B10R1.2 Cc1ccnc(c1C)S[13CH3] 62a_200025704644_100009847204 [1,1,0,0,0,0|2,0,0]=4 2485 B10R1.2 Cc1ccnc(c1F)S[13CH3] 62a_100009817629_200025704644 [1,1,0,0,0,0|2,0,0]=4 2486 B10R1.2 Cc1ccnc(c1F)S[13CH3] 62a_200025704644_100009817629 [1,1,0,0,0,0|2,0,0]=4 2487 B10R1.2 Cc1ccnc(c1N)S[13CH3] 62a_100000763560_200025704644 [1,1,0,0,0,0|2,0,0]=4 2488 B10R1.2 Cc1ccnc(c1N)S[13CH3] 62a_200025704644_100000763560 [1,1,0,0,0,0|2,0,0]=4 2489 B10R1.2 Cc1ccnc(c1O)S[13CH3] 62a_200025704644_100000696282 [1,1,0,0,0,0|2,0,0]=4 2490 B10R1.2 Cc1cncc(c1C)S[13CH3] 62a_100009864703_200025704644 [1,1,0,0,0,0|2,0,0]=4 2491 B10R1.2 Cc1cncc(c1C)S[13CH3] 62a_200025704644_100009864703 [1,1,0,0,0,0|2,0,0]=4 2492 B10R1.2 Cc1cncc(c1N)S[13CH3] 62a_100009818025_200025704644 [1,1,0,0,0,0|2,0,0]=4 2493 B10R1.2 Cc1cncc(c1N)S[13CH3] 62a_200025704644_100009818025 [1,1,0,0,0,0|2,0,0]=4 2494 B10R1.2 Cc1nccc(c1C)S[13CH3] 62a_100009846815_200025704644 [1,1,0,0,0,0|2,0,0]=4 2495 B10R1.2 Cc1nccc(c1C)S[13CH3] 62a_200025704644_100009846815 [1,1,0,0,0,0|2,0,0]=4 2496 B10R1.2 Cc1nccc(c1Cl)S[13CH3] 62a_100000698670_200025704644 [1,1,0,0,0,0|2,0,0]=4 2497 B10R1.2 Cc1nccc(c1Cl)S[13CH3] 62a_200025704644_100000698670 [1,1,0,0,0,0|2,0,0]=4 2498 B10R1.2 Cc1nccc(c1F)S[13CH3] 62a_100009849794_200025704644 [1,1,0,0,0,0|2,0,0]=4 2499 B10R1.2 Cc1nccc(c1F)S[13CH3] 62a_200025704644_100009849794 [1,1,0,0,0,0|2,0,0]=4 2500 B10R1.2 Cc1nccc(c1N)S[13CH3] 62a_100009885578_200025704644 [1,1,0,0,0,0|2,0,0]=4 2501 B10R1.2 Cc1nccc(c1N)S[13CH3] 62a_200025704644_100009885578 [1,1,0,0,0,0|2,0,0]=4 2502 B10R1.2 Cn1cccc(c1=O)O[13CH3] 34a_100000117616_200025704644 [1,1,0,0,0,0|2,0,0]=4 2503 B10R1.2 Cn1cccc(c1=O)O[13CH3] 7a_100000117616_200025704644 [1,1,0,0,0,0|2,0,0]=4 2504 B10R1.2 Cn1cccc(c1=O)S[13CH3] 62a_100000687173_200025704644 [1,1,0,0,0,0|2,0,0]=4 2505 B10R1.2 Cn1cccc(c1=O)S[13CH3] 62a_200025704644_100000687173 [1,1,0,0,0,0|2,0,0]=4 2506 B10R1.2 Nc1c(cccc1C=O)O 271570a_203496583355_100010144990 [1,1,0,0,0,0|1,0,0]=3 2507 B10R1.2 O=Cc1cccc(c1F)O 271570a_203496583355_100000766533 [1,1,0,0,0,0|1,0,0]=3 2508 B10R1.2 O=Cc1cccc(c1O)F 271570a_203496583355_100011998484 [1,1,0,0,0,0|1,0,0]=3 2509 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100000737635 [1,1,0,0,0,0|1,0,0]=3 2510 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100009816417 [1,1,0,0,0,0|1,0,0]=3 2511 B10R1.2 O=Cc1ccnc(c1F)O 271570a_203496583355_100010064874 [1,1,0,0,0,0|2,0,0]=4 2512 B10R1.2 O=Cc1ccnc(c1O)F 271570a_203496583355_100009856171 [1,1,0,0,0,0|2,0,0]=4 2513 B10R1.2 O=Cc1nccc(c1F)O 271570a_203496583355_100015713984 [1,1,0,0,0,0|2,0,0]=4 2514 B10R1.2 [13CH3]Nc1cccc(c1Br)Cl 34a_100000687072_200025704644 [1,1,0,0,0,0|2,0,0]=4 2515 B10R1.2 [13CH3]Nc1cccc(c1Br)F 34a_100011934729_200025704644 [1,1,0,0,0,0|2,0,0]=4 2516 B10R1.2 [13CH3]Nc1cccc(c1Br)O 34a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 2517 B10R1.2 [13CH3]Nc1cccc(c1Br)O 7a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 2518 B10R1.2 [13CH3]Nc1cccc(c1Cl)Br 34a_100000687075_200025704644 [1,1,0,0,0,0|2,0,0]=4 2519 B10R1.2 [13CH3]Nc1cccc(c1Cl)Cl 34a_100000185733_200025704644 [1,1,0,0,0,0|2,0,0]=4 2520 B10R1.2 [13CH3]Nc1cccc(c1Cl)F 34a_100000692321_200025704644 [1,1,0,0,0,0|2,0,0]=4 2521 B10R1.2 [13CH3]Nc1cccc(c1Cl)O 34a_100012002038_200025704644 [1,1,0,0,0,0|2,0,0]=4 2522 B10R1.2 [13CH3]Nc1cccc(c1Cl)O 7a_100012002038_200025704644 [1,1,0,0,0,0|2,0,0]=4 2523 B10R1.2 [13CH3]Nc1cccc(c1F)Br 2230a_100011935091_200025704644 [1,1,0,0,0,0|2,0,0]=4 2524 B10R1.2 [13CH3]Nc1cccc(c1F)Br 34a_100011935091_200025704644 [1,1,0,0,0,0|2,0,0]=4 2525 B10R1.2 [13CH3]Nc1cccc(c1F)Cl 2230a_100000199060_200025704644 [1,1,0,0,0,0|2,0,0]=4 2526 B10R1.2 [13CH3]Nc1cccc(c1F)Cl 34a_100000199060_200025704644 [1,1,0,0,0,0|2,0,0]=4 2527 B10R1.2 [13CH3]Nc1cccc(c1F)F 34a_100000743855_200025704644 [1,1,0,0,0,0|2,0,0]=4 2528 B10R1.2 [13CH3]Nc1cccc(c1I)Br 34a_100020590159_200025704644 [1,1,0,0,0,0|2,0,0]=4 2529 B10R1.2 [13CH3]Nc1cccc(c1I)Cl 34a_100000049713_200025704644 [1,1,0,0,0,0|2,0,0]=4 2530 B10R1.2 [13CH3]Nc1cccc(c1I)F 34a_100000690935_200025704644 [1,1,0,0,0,0|2,0,0]=4 2531 B10R1.2 [13CH3]Nc1cccc(c1O)Br 34a_100011934915_200025704644 [1,1,0,0,0,0|2,0,0]=4 2532 B10R1.2 [13CH3]Nc1cccc(c1O)Cl 34a_100000754742_200025704644 [1,1,0,0,0,0|2,0,0]=4 2533 B10R1.2 [13CH3]Nc1cccc(c1O)F 34a_100011934987_200025704644 [1,1,0,0,0,0|2,0,0]=4 2534 B10R1.2 [13CH3]Oc1cccc(c1Br)Br 34a_100010187966_200025704644 [1,1,0,0,0,0|2,0,0]=4 2535 B10R1.2 [13CH3]Oc1cccc(c1Br)Br 7a_100010187966_200025704644 [1,1,0,0,0,0|2,0,0]=4 2536 B10R1.2 [13CH3]Oc1cccc(c1Br)Cl 34a_100012348804_200025704644 [1,1,0,0,0,0|2,0,0]=4 2537 B10R1.2 [13CH3]Oc1cccc(c1Br)Cl 7a_100012348804_200025704644 [1,1,0,0,0,0|2,0,0]=4 2538 B10R1.2 [13CH3]Oc1cccc(c1Br)F 34a_100009820682_200025704644 [1,1,0,0,0,0|2,0,0]=4 2539 B10R1.2 [13CH3]Oc1cccc(c1Br)F 7a_100009820682_200025704644 [1,1,0,0,0,0|2,0,0]=4 2540 B10R1.2 [13CH3]Oc1cccc(c1Br)I 34a_100010187914_200025704644 [1,1,0,0,0,0|2,0,0]=4 2541 B10R1.2 [13CH3]Oc1cccc(c1Br)I 7a_100010187914_200025704644 [1,1,0,0,0,0|2,0,0]=4 2542 B10R1.2 [13CH3]Oc1cccc(c1Br)N 34a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 2543 B10R1.2 [13CH3]Oc1cccc(c1Br)N 7a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 2544 B10R1.2 [13CH3]Oc1cccc(c1Cl)Br 34a_100010187913_200025704644 [1,1,0,0,0,0|2,0,0]=4 2545 B10R1.2 [13CH3]Oc1cccc(c1Cl)Br 7a_100010187913_200025704644 [1,1,0,0,0,0|2,0,0]=4 2546 B10R1.2 [13CH3]Oc1cccc(c1Cl)Cl 34a_100000211076_200025704644 [1,1,0,0,0,0|2,0,0]=4 2547 B10R1.2 [13CH3]Oc1cccc(c1Cl)Cl 7a_100000211076_200025704644 [1,1,0,0,0,0|2,0,0]=4 2548 B10R1.2 [13CH3]Oc1cccc(c1Cl)F 34a_100000087408_200025704644 [1,1,0,0,0,0|2,0,0]=4 2549 B10R1.2 [13CH3]Oc1cccc(c1Cl)F 7a_100000087408_200025704644 [1,1,0,0,0,0|2,0,0]=4 2550 B10R1.2 [13CH3]Oc1cccc(c1Cl)I 34a_100000049636_200025704644 [1,1,0,0,0,0|2,0,0]=4 2551 B10R1.2 [13CH3]Oc1cccc(c1Cl)I 7a_100000049636_200025704644 [1,1,0,0,0,0|2,0,0]=4 2552 B10R1.2 [13CH3]Oc1cccc(c1Cl)N 34a_100012002038_200025704644 [1,1,0,0,0,0|2,0,0]=4 2553 B10R1.2 [13CH3]Oc1cccc(c1Cl)N 7a_100012002038_200025704644 [1,1,0,0,0,0|2,0,0]=4 2554 B10R1.2 [13CH3]Oc1cccc(c1F)Br 34a_100009817021_200025704644 [1,1,0,0,0,0|2,0,0]=4 2555 B10R1.2 [13CH3]Oc1cccc(c1F)Br 7a_100009817021_200025704644 [1,1,0,0,0,0|2,0,0]=4 2556 B10R1.2 [13CH3]Oc1cccc(c1F)Cl 34a_100000687438_200025704644 [1,1,0,0,0,0|2,0,0]=4 2557 B10R1.2 [13CH3]Oc1cccc(c1F)Cl 7a_100000687438_200025704644 [1,1,0,0,0,0|2,0,0]=4 2558 B10R1.2 [13CH3]Oc1cccc(c1F)F 34a_100000751161_200025704644 [1,1,0,0,0,0|2,0,0]=4 2559 B10R1.2 [13CH3]Oc1cccc(c1F)F 7a_100000751161_200025704644 [1,1,0,0,0,0|2,0,0]=4 2560 B10R1.2 [13CH3]Oc1cccc(c1I)Br 34a_100010187912_200025704644 [1,1,0,0,0,0|2,0,0]=4 2561 B10R1.2 [13CH3]Oc1cccc(c1I)Br 7a_100010187912_200025704644 [1,1,0,0,0,0|2,0,0]=4 2562 B10R1.2 [13CH3]Oc1cccc(c1I)Cl 34a_100000050174_200025704644 [1,1,0,0,0,0|2,0,0]=4 2563 B10R1.2 [13CH3]Oc1cccc(c1I)Cl 7a_100000050174_200025704644 [1,1,0,0,0,0|2,0,0]=4 2564 B10R1.2 [13CH3]Oc1cccc(c1I)F 34a_100000690913_200025704644 [1,1,0,0,0,0|2,0,0]=4 2565 B10R1.2 [13CH3]Oc1cccc(c1I)F 7a_100000690913_200025704644 [1,1,0,0,0,0|2,0,0]=4 2566 B10R1.2 [13CH3]Oc1cccc(c1N)Br 34a_100011934926_200025704644 [1,1,0,0,0,0|2,0,0]=4 2567 B10R1.2 [13CH3]Oc1cccc(c1N)Br 7a_100011934926_200025704644 [1,1,0,0,0,0|2,0,0]=4 2568 B10R1.2 [13CH3]Oc1cccc(c1N)Cl 34a_100012022510_200025704644 [1,1,0,0,0,0|2,0,0]=4 2569 B10R1.2 [13CH3]Oc1cccc(c1N)Cl 7a_100012022510_200025704644 [1,1,0,0,0,0|2,0,0]=4 2570 B10R1.2 [13CH3]Oc1cccc(c1N)F 34a_100020591140_200025704644 [1,1,0,0,0,0|2,0,0]=4 2571 B10R1.2 [13CH3]Oc1cccc(c1N)F 7a_100020591140_200025704644 [1,1,0,0,0,0|2,0,0]=4 2572 B10R1.2 [13CH3]Oc1cccc(c1N)I 34a_200000049512_200025704644 [1,1,0,0,0,0|2,0,0]=4 2573 B10R1.2 [13CH3]Oc1cccc(c1N)I 7a_200000049512_200025704644 [1,1,0,0,0,0|2,0,0]=4 2574 B10R1.2 [13CH3]Oc1cccc(c1N)N 34a_100000033209_200025704644 [1,1,0,0,0,0|2,0,0]=4 2575 B10R1.2 [13CH3]Sc1cccc(c1Br)Br 62a_100010175083_200025704644 [1,1,0,0,0,0|2,0,0]=4 2576 B10R1.2 [13CH3]Sc1cccc(c1Br)Br 62a_200025704644_100010175083 [1,1,0,0,0,0|2,0,0]=4 2577 B10R1.2 [13CH3]Sc1cccc(c1Br)Cl 62a_100014021842_200025704644 [1,1,0,0,0,0|2,0,0]=4 2578 B10R1.2 [13CH3]Sc1cccc(c1Br)Cl 62a_200025704644_100014021842 [1,1,0,0,0,0|2,0,0]=4 2579 B10R1.2 [13CH3]Sc1cccc(c1Br)F 62a_100010202630_200025704644 [1,1,0,0,0,0|2,0,0]=4 2580 B10R1.2 [13CH3]Sc1cccc(c1Br)F 62a_200025704644_100010202630 [1,1,0,0,0,0|2,0,0]=4 2581 B10R1.2 [13CH3]Sc1cccc(c1Br)O 62a_100010187914_200025704644 [1,1,0,0,0,0|2,0,0]=4 2582 B10R1.2 [13CH3]Sc1cccc(c1Br)O 62a_200025704644_100010187914 [1,1,0,0,0,0|2,0,0]=4 2583 B10R1.2 [13CH3]Sc1cccc(c1Cl)Br 62a_100010142854_200025704644 [1,1,0,0,0,0|2,0,0]=4 2584 B10R1.2 [13CH3]Sc1cccc(c1Cl)Br 62a_200025704644_100010142854 [1,1,0,0,0,0|2,0,0]=4 2585 B10R1.2 [13CH3]Sc1cccc(c1Cl)Cl 62a_100011215384_200025704644 [1,1,0,0,0,0|2,0,0]=4 2586 B10R1.2 [13CH3]Sc1cccc(c1Cl)Cl 62a_200025704644_100011215384 [1,1,0,0,0,0|2,0,0]=4 2587 B10R1.2 [13CH3]Sc1cccc(c1Cl)F 62a_200010234923_200025704644 [1,1,0,0,0,0|2,0,0]=4 2588 B10R1.2 [13CH3]Sc1cccc(c1Cl)F 62a_200025704644_200010234923 [1,1,0,0,0,0|2,0,0]=4 2589 B10R1.2 [13CH3]Sc1cccc(c1Cl)O 62a_200025704644_100000049636 [1,1,0,0,0,0|2,0,0]=4 2590 B10R1.2 [13CH3]Sc1cccc(c1F)Br 62a_100000702267_200025704644 [1,1,0,0,0,0|2,0,0]=4 2591 B10R1.2 [13CH3]Sc1cccc(c1F)Br 62a_200025704644_100000702267 [1,1,0,0,0,0|2,0,0]=4 2592 B10R1.2 [13CH3]Sc1cccc(c1F)Cl 62a_100011217346_200025704644 [1,1,0,0,0,0|2,0,0]=4 2593 B10R1.2 [13CH3]Sc1cccc(c1F)Cl 62a_200025704644_100011217346 [1,1,0,0,0,0|2,0,0]=4 2594 B10R1.2 [13CH3]Sc1cccc(c1F)F 62a_100000694657_200025704644 [1,1,0,0,0,0|2,0,0]=4 2595 B10R1.2 [13CH3]Sc1cccc(c1F)F 62a_200025704644_100000694657 [1,1,0,0,0,0|2,0,0]=4 2596 B10R1.2 [13CH3]Sc1cccc(c1F)N 62a_100011935091_200025704644 [1,1,0,0,0,0|2,0,0]=4 2597 B10R1.2 [13CH3]Sc1cccc(c1F)N 62a_200025704644_100011935091 [1,1,0,0,0,0|2,0,0]=4 2598 B10R1.2 [13CH3]Sc1cccc(c1F)O 62a_100009817021_200025704644 [1,1,0,0,0,0|2,0,0]=4 2599 B10R1.2 [13CH3]Sc1cccc(c1F)O 62a_200025704644_100009817021 [1,1,0,0,0,0|2,0,0]=4 2600 B10R1.2 [13CH3]Sc1cccc(c1N)Br 62a_100010146558_200025704644 [1,1,0,0,0,0|2,0,0]=4 2601 B10R1.2 [13CH3]Sc1cccc(c1N)Br 62a_200025704644_100010146558 [1,1,0,0,0,0|2,0,0]=4 2602 B10R1.2 [13CH3]Sc1cccc(c1N)Cl 62a_100010190421_200025704644 [1,1,0,0,0,0|2,0,0]=4 2603 B10R1.2 [13CH3]Sc1cccc(c1N)Cl 62a_200025704644_100010190421 [1,1,0,0,0,0|2,0,0]=4 2604 B10R1.2 [13CH3]Sc1cccc(c1N)F 62a_100000042321_200025704644 [1,1,0,0,0,0|2,0,0]=4 2605 B10R1.2 [13CH3]Sc1cccc(c1N)F 62a_200025704644_100000042321 [1,1,0,0,0,0|2,0,0]=4 2606 B10R1.2 [13CH3]Sc1cccc(c1N)N 62a_100015191791_200025704644 [1,1,0,0,0,0|2,0,0]=4 2607 B10R1.2 [13CH3]Sc1cccc(c1N)O 62a_200025704644_100011934926 [1,1,0,0,0,0|2,0,0]=4 2608 B10R1.2 [13CH3]Sc1cccc(c1O)Br 62a_100010084509_200025704644 [1,1,0,0,0,0|2,0,0]=4 2609 B10R1.2 [13CH3]Sc1cccc(c1O)Br 62a_200025704644_100010084509 [1,1,0,0,0,0|2,0,0]=4 2610 B10R1.2 [13CH3]Sc1cccc(c1O)Cl 62a_100010202889_200025704644 [1,1,0,0,0,0|2,0,0]=4 2611 B10R1.2 [13CH3]Sc1cccc(c1O)Cl 62a_200025704644_100010202889 [1,1,0,0,0,0|2,0,0]=4 2612 B10R1.2 [13CH3]Sc1cccc(c1O)F 62a_100009813666_200025704644 [1,1,0,0,0,0|2,0,0]=4 2613 B10R1.2 [13CH3]Sc1cccc(c1O)F 62a_200025704644_100009813666 [1,1,0,0,0,0|2,0,0]=4 2614 B10R1.2 [13CH3]Sc1cccc(c1O)N 62a_100011934915_200025704644 [1,1,0,0,0,0|2,0,0]=4 2615 B10R1.2 [13CH3]Sc1cccc(c1O)N 62a_200025704644_100010084371 [1,1,0,0,0,0|2,0,0]=4 2616 B10R1.2 [13CH3]Sc1cccc(c1O)O 62a_200025704644_100009815950 [1,1,0,0,0,0|2,0,0]=4 2617 B10R1.8 C=Cc1cc([nH]c(=O)c1)C 271570a_100011290941_100009861981 [1,1,0,0,0,0|1,0,1]=4 2618 B10R1.8 C=Cc1cc(cc(c1)Br)Br 271570a_100011290941_100009814770 [1,1,0,0,0,0|1,0,1]=4 2619 B10R1.8 C=Cc1cc(cc(c1)Br)Cl 271570a_100011290941_100009814755 [1,1,0,0,0,0|1,0,1]=4 2620 B10R1.8 C=Cc1cc(cc(c1)Br)F 271570a_100011290941_100009814764 [1,1,0,0,0,0|1,0,1]=4 2621 B10R1.8 C=Cc1cc(cc(c1)Br)N 271570a_100011290941_100009814763 [1,1,0,0,0,0|1,0,1]=4 2622 B10R1.8 C=Cc1cc(cc(c1)Br)O 271570a_100011290941_100010068917 [1,1,0,0,0,0|1,0,1]=4 2623 B10R1.8 C=Cc1cc(cc(c1)C)C 271570a_100011290941_100011215608 [1,1,0,0,0,0|0,0,1]=3 2624 B10R1.8 C=Cc1cc(cc(c1)Cl)C 271570a_100011290941_100010172791 [1,1,0,0,0,0|0,0,1]=3 2625 B10R1.8 C=Cc1cc(cc(c1)Cl)Cl 271570a_100011290941_100000747138 [1,1,0,0,0,0|1,0,1]=4 2626 B10R1.8 C=Cc1cc(cc(c1)Cl)F 271570a_100011290941_100013859453 [1,1,0,0,0,0|1,0,1]=4 2627 B10R1.8 C=Cc1cc(cc(c1)Cl)N 271570a_100011290941_100010147676 [1,1,0,0,0,0|1,0,1]=4 2628 B10R1.8 C=Cc1cc(cc(c1)Cl)O 271570a_100011290941_100010068924 [1,1,0,0,0,0|1,0,1]=4 2629 B10R1.8 C=Cc1cc(cc(c1)F)C 271570a_100011290941_100011356977 [1,1,0,0,0,0|0,0,1]=3 2630 B10R1.8 C=Cc1cc(cc(c1)F)F 271570a_100011290941_100011218498 [1,1,0,0,0,0|1,0,1]=4 2631 B10R1.8 C=Cc1cc(cc(c1)F)N 271570a_100011290941_100011356972 [1,1,0,0,0,0|1,0,1]=4 2632 B10R1.8 C=Cc1cc(cc(c1)F)O 271570a_100011290941_100000717995 [1,1,0,0,0,0|1,0,1]=4 2633 B10R1.8 C=Cc1cc(cc(c1)N)C 271570a_100011290941_100000695972 [1,1,0,0,0,0|0,0,1]=3 2634 B10R1.8 C=Cc1cc(cc(c1)N)N 271570a_100011290941_100011999608 [1,1,0,0,0,0|1,0,1]=4 2635 B10R1.8 C=Cc1cc(cc(c1)O)C 271570a_100011290941_100011999630 [1,1,0,0,0,0|0,0,1]=3 2636 B10R1.8 C=Cc1cc(cc(c1)O)O 271570a_100011290941_100009868816 [1,1,0,0,0,0|1,0,1]=4 2637 B10R1.8 C=Cc1cc(cc(n1)C)C 271570a_100011290941_100000069240 [1,1,0,0,0,0|1,0,1]=4 2638 B10R1.8 C=Cc1cc(cc(n1)F)C 271570a_100011290941_100009819601 [1,1,0,0,0,0|1,0,1]=4 2639 B10R1.8 C=Cc1cc(cc(n1)N)C 271570a_100011290941_100009819863 [1,1,0,0,0,0|1,0,1]=4 2640 B10R1.8 C=Cc1cc(nc(c1)C)C 271570a_100011290941_100009816552 [1,1,0,0,0,0|1,0,1]=4 2641 B10R1.8 C=Cc1cc(nc(c1)F)C 271570a_100011290941_100010006595 [1,1,0,0,0,0|1,0,1]=4 2642 B10R1.8 C=Cc1cc(nc(c1)N)C 271570a_100011290941_100000076705 [1,1,0,0,0,0|1,0,1]=4 2643 B10R1.8 CCc1cc(cc(c1)O)N 271570a_203496583355_100010074814 [1,1,0,0,0,0|1,0,1]=4 2644 B10R1.8 CNc1cc([nH]c(=O)c1)C 27a_100102657272_100009861981 [1,1,0,0,0,0|2,0,0]=4 2645 B10R1.8 CNc1cc(cc(c1)Br)Br 27a_100102657272_100009814770 [1,1,0,0,0,0|2,0,0]=4 2646 B10R1.8 CNc1cc(cc(c1)Br)Br 34a_100012047176_200000210301 [1,1,0,0,0,0|2,0,0]=4 2647 B10R1.8 CNc1cc(cc(c1)Br)Br 7a_100012047176_200000210301 [1,1,0,0,0,0|2,0,0]=4 2648 B10R1.8 CNc1cc(cc(c1)Br)C 34a_100000695972_200000210301 [1,1,0,0,0,0|1,0,0]=3 2649 B10R1.8 CNc1cc(cc(c1)Br)C 7a_100000695972_200000210301 [1,1,0,0,0,0|1,0,0]=3 2650 B10R1.8 CNc1cc(cc(c1)Br)Cl 34a_100011934539_200000210301 [1,1,0,0,0,0|2,0,0]=4 2651 B10R1.8 CNc1cc(cc(c1)Br)Cl 7a_100011934539_200000210301 [1,1,0,0,0,0|2,0,0]=4 2652 B10R1.8 CNc1cc(cc(c1)Br)F 34a_100000705686_200000210301 [1,1,0,0,0,0|2,0,0]=4 2653 B10R1.8 CNc1cc(cc(c1)Br)F 7a_100000705686_200000210301 [1,1,0,0,0,0|2,0,0]=4 2654 B10R1.8 CNc1cc(cc(c1)C)C 2230a_100000210930_200000210301 [1,1,0,0,0,0|1,0,0]=3 2655 B10R1.8 CNc1cc(cc(c1)C)C 34a_100000210930_200000210301 [1,1,0,0,0,0|1,0,0]=3 2656 B10R1.8 CNc1cc(cc(c1)C)C 7a_100000210930_200000210301 [1,1,0,0,0,0|1,0,0]=3 2657 B10R1.8 CNc1cc(cc(c1)Cl)C 2230a_100012022512_200000210301 [1,1,0,0,0,0|1,0,0]=3 2658 B10R1.8 CNc1cc(cc(c1)Cl)C 34a_100012022512_200000210301 [1,1,0,0,0,0|1,0,0]=3 2659 B10R1.8 CNc1cc(cc(c1)Cl)C 7a_100012022512_200000210301 [1,1,0,0,0,0|1,0,0]=3 2660 B10R1.8 CNc1cc(cc(c1)Cl)Cl 34a_100000210456_200000210301 [1,1,0,0,0,0|2,0,0]=4 2661 B10R1.8 CNc1cc(cc(c1)Cl)Cl 7a_100000210456_200000210301 [1,1,0,0,0,0|2,0,0]=4 2662 B10R1.8 CNc1cc(cc(c1)Cl)F 34a_100000686136_200000210301 [1,1,0,0,0,0|2,0,0]=4 2663 B10R1.8 CNc1cc(cc(c1)Cl)F 7a_100000686136_200000210301 [1,1,0,0,0,0|2,0,0]=4 2664 B10R1.8 CNc1cc(cc(c1)Cl)O 34a_100000123917_200000210301 [1,1,0,0,0,0|2,0,0]=4 2665 B10R1.8 CNc1cc(cc(c1)Cl)O 7a_100000123917_200000210301 [1,1,0,0,0,0|2,0,0]=4 2666 B10R1.8 CNc1cc(cc(c1)F)C 2230a_100000742734_200000210301 [1,1,0,0,0,0|1,0,0]=3 2667 B10R1.8 CNc1cc(cc(c1)F)C 34a_100000742734_200000210301 [1,1,0,0,0,0|1,0,0]=3 2668 B10R1.8 CNc1cc(cc(c1)F)C 7a_100000742734_200000210301 [1,1,0,0,0,0|1,0,0]=3 2669 B10R1.8 CNc1cc(cc(c1)F)F 34a_100000233717_200000210301 [1,1,0,0,0,0|2,0,0]=4 2670 B10R1.8 CNc1cc(cc(c1)F)F 7a_100000233717_200000210301 [1,1,0,0,0,0|2,0,0]=4 2671 B10R1.8 CNc1cc(cc(c1)F)O 271570a_203496583355_106741647397 [1,1,0,0,0,0|2,0,0]=4 2672 B10R1.8 CNc1cc(cc(c1)I)Br 7a_100009814763_200000210301 [1,1,0,0,0,0|2,0,0]=4 2673 B10R1.8 CNc1cc(cc(c1)I)Cl 7a_100010147676_200000210301 [1,1,0,0,0,0|2,0,0]=4 2674 B10R1.8 CNc1cc(cc(c1)I)F 34a_100011356972_200000210301 [1,1,0,0,0,0|2,0,0]=4 2675 B10R1.8 CNc1cc(cc(c1)I)F 7a_100011356972_200000210301 [1,1,0,0,0,0|2,0,0]=4 2676 B10R1.8 CNc1cc(cc(c1)I)I 7a_200000696836_200000210301 [1,1,0,0,0,0|2,0,0]=4 2677 B10R1.8 CNc1cc(cc(c1)O)C 34a_100011995906_200000210301 [1,1,0,0,0,0|1,0,0]=3 2678 B10R1.8 CNc1cc(cc(c1)O)C 7a_100011995906_200000210301 [1,1,0,0,0,0|1,0,0]=3 2679 B10R1.8 CNc1cc(cc(c1)O)O 34a_100000043371_200000210301 [1,1,0,0,0,0|2,0,0]=4 2680 B10R1.8 CNc1cc(cc(n1)C)C 27a_100102657272_100000069240 [1,1,0,0,0,0|2,0,0]=4 2681 B10R1.8 CNc1cc(cc(n1)F)C 27a_100102657272_100009819601 [1,1,0,0,0,0|2,0,0]=4 2682 B10R1.8 CNc1cc(nc(c1)C)C 27a_100102657272_100000066820 [1,1,0,0,0,0|2,0,0]=4 2683 B10R1.8 CNc1cc(nc(c1)Cl)C 27a_100102657272_100010068023 [1,1,0,0,0,0|2,0,0]=4 2684 B10R1.8 CNc1cc(nc(c1)F)C 27a_100102657272_100010006595 [1,1,0,0,0,0|2,0,0]=4 2685 B10R1.8 COc1cc(=O)cc(o1)C 34a_100016989201_200000210301 [1,1,0,0,0,0|2,0,0]=4 2686 B10R1.8 COc1cc([nH]c(=O)c1)C 34a_100000039070_200000210301 [1,1,0,0,0,0|2,0,0]=4 2687 B10R1.8 COc1cc(cc(c1)Br)Br 34a_100010167048_200000210301 [1,1,0,0,0,0|2,0,0]=4 2688 B10R1.8 COc1cc(cc(c1)Br)Br 7a_100010167048_200000210301 [1,1,0,0,0,0|2,0,0]=4 2689 B10R1.8 COc1cc(cc(c1)Br)C 34a_100011999630_200000210301 [1,1,0,0,0,0|1,0,0]=3 2690 B10R1.8 COc1cc(cc(c1)Br)C 7a_100011999630_200000210301 [1,1,0,0,0,0|1,0,0]=3 2691 B10R1.8 COc1cc(cc(c1)Br)Cl 34a_100010185897_200000210301 [1,1,0,0,0,0|2,0,0]=4 2692 B10R1.8 COc1cc(cc(c1)Br)Cl 7a_100010185897_200000210301 [1,1,0,0,0,0|2,0,0]=4 2693 B10R1.8 COc1cc(cc(c1)Br)F 34a_100000688818_200000210301 [1,1,0,0,0,0|2,0,0]=4 2694 B10R1.8 COc1cc(cc(c1)Br)F 7a_100000688818_200000210301 [1,1,0,0,0,0|2,0,0]=4 2695 B10R1.8 COc1cc(cc(c1)Br)O 271570a_203496583355_100010141301 [1,1,0,0,0,0|2,0,0]=4 2696 B10R1.8 COc1cc(cc(c1)C)C 34a_100000210933_200000210301 [1,1,0,0,0,0|1,0,0]=3 2697 B10R1.8 COc1cc(cc(c1)C)C 7a_100000210933_200000210301 [1,1,0,0,0,0|1,0,0]=3 2698 B10R1.8 COc1cc(cc(c1)Cl)C 34a_100000087485_200000210301 [1,1,0,0,0,0|1,0,0]=3 2699 B10R1.8 COc1cc(cc(c1)Cl)C 7a_100000087485_200000210301 [1,1,0,0,0,0|1,0,0]=3 2700 B10R1.8 COc1cc(cc(c1)Cl)Cl 34a_100000181315_200000210301 [1,1,0,0,0,0|2,0,0]=4 2701 B10R1.8 COc1cc(cc(c1)Cl)Cl 7a_100000181315_200000210301 [1,1,0,0,0,0|2,0,0]=4 2702 B10R1.8 COc1cc(cc(c1)Cl)F 34a_100011219751_200000210301 [1,1,0,0,0,0|2,0,0]=4 2703 B10R1.8 COc1cc(cc(c1)Cl)F 7a_100011219751_200000210301 [1,1,0,0,0,0|2,0,0]=4 2704 B10R1.8 COc1cc(cc(c1)Cl)N 34a_100000123917_200000210301 [1,1,0,0,0,0|2,0,0]=4 2705 B10R1.8 COc1cc(cc(c1)Cl)N 7a_100000123917_200000210301 [1,1,0,0,0,0|2,0,0]=4 2706 B10R1.8 COc1cc(cc(c1)Cl)O 271570a_203496583355_100010147680 [1,1,0,0,0,0|2,0,0]=4 2707 B10R1.8 COc1cc(cc(c1)F)C 34a_100011830401_200000210301 [1,1,0,0,0,0|1,0,0]=3 2708 B10R1.8 COc1cc(cc(c1)F)C 7a_100011830401_200000210301 [1,1,0,0,0,0|1,0,0]=3 2709 B10R1.8 COc1cc(cc(c1)F)F 34a_100000747503_200000210301 [1,1,0,0,0,0|2,0,0]=4 2710 B10R1.8 COc1cc(cc(c1)F)F 7a_100000747503_200000210301 [1,1,0,0,0,0|2,0,0]=4 2711 B10R1.8 COc1cc(cc(c1)F)O 271570a_203496583355_100011934182 [1,1,0,0,0,0|2,0,0]=4 2712 B10R1.8 COc1cc(cc(c1)I)Br 34a_100010068917_200000210301 [1,1,0,0,0,0|2,0,0]=4 2713 B10R1.8 COc1cc(cc(c1)I)Br 7a_100010068917_200000210301 [1,1,0,0,0,0|2,0,0]=4 2714 B10R1.8 COc1cc(cc(c1)I)Cl 34a_100010068924_200000210301 [1,1,0,0,0,0|2,0,0]=4 2715 B10R1.8 COc1cc(cc(c1)I)Cl 7a_100010068924_200000210301 [1,1,0,0,0,0|2,0,0]=4 2716 B10R1.8 COc1cc(cc(c1)I)F 34a_100000717995_200000210301 [1,1,0,0,0,0|2,0,0]=4 2717 B10R1.8 COc1cc(cc(c1)I)F 7a_100000717995_200000210301 [1,1,0,0,0,0|2,0,0]=4 2718 B10R1.8 COc1cc(cc(c1)N)C 34a_100011995906_200000210301 [1,1,0,0,0,0|1,0,0]=3 2719 B10R1.8 COc1cc(cc(c1)N)C 7a_100011995906_200000210301 [1,1,0,0,0,0|1,0,0]=3 2720 B10R1.8 COc1cc(cc(c1)O)C 271570a_203496583355_100010187550 [1,1,0,0,0,0|1,0,0]=3 2721 B10R1.8 COc1cc(cc(c1)O)N 271570a_203496583355_100000750983 [1,1,0,0,0,0|2,0,0]=4 2722 B10R1.8 COc1cc(cc(c1)O)O 271570a_203496583355_100010068927 [1,1,0,0,0,0|2,0,0]=4 2723 B10R1.8 COc1cc(cc(n1)C)O 271570a_203496583355_100010067692 [1,1,0,0,0,0|2,0,0]=4 2724 B10R1.8 COc1cc(cc(n1)O)C 271570a_203496583355_100009856763 [1,1,0,0,0,0|2,0,0]=4 2725 B10R1.8 COc1cc(nc(c1)O)C 271570a_203496583355_200009849800 [1,1,0,0,0,0|2,0,0]=4 2726 B10R1.8 COc1cc(oc(=O)c1)C 34a_100000210952_200000210301 [1,1,0,0,0,0|2,0,0]=4 2727 B10R1.8 COc1cc(oc(=O)c1)C 7a_100000210952_200000210301 [1,1,0,0,0,0|2,0,0]=4 2728 B10R1.8 CSc1cc([nH]c(=O)c1)C 62a_100009861981_200000210301 [1,1,0,0,0,0|2,0,0]=4 2729 B10R1.8 CSc1cc([nH]c(=O)c1)C 62a_200000210301_100009861981 [1,1,0,0,0,0|2,0,0]=4 2730 B10R1.8 CSc1cc(cc(c1)Br)Br 62a_100009814770_200000210301 [1,1,0,0,0,0|2,0,0]=4 2731 B10R1.8 CSc1cc(cc(c1)Br)Br 62a_200000210301_100009814770 [1,1,0,0,0,0|2,0,0]=4 2732 B10R1.8 CSc1cc(cc(c1)Br)Cl 62a_100009814755_200000210301 [1,1,0,0,0,0|2,0,0]=4 2733 B10R1.8 CSc1cc(cc(c1)Br)Cl 62a_200000210301_100009814755 [1,1,0,0,0,0|2,0,0]=4 2734 B10R1.8 CSc1cc(cc(c1)Br)F 62a_100009814764_200000210301 [1,1,0,0,0,0|2,0,0]=4 2735 B10R1.8 CSc1cc(cc(c1)Br)F 62a_200000210301_100009814764 [1,1,0,0,0,0|2,0,0]=4 2736 B10R1.8 CSc1cc(cc(c1)Br)N 62a_100009814763_200000210301 [1,1,0,0,0,0|2,0,0]=4 2737 B10R1.8 CSc1cc(cc(c1)Br)N 62a_200000210301_100009814763 [1,1,0,0,0,0|2,0,0]=4 2738 B10R1.8 CSc1cc(cc(c1)Br)O 62a_100010068917_200000210301 [1,1,0,0,0,0|2,0,0]=4 2739 B10R1.8 CSc1cc(cc(c1)Br)O 62a_200000210301_100010068917 [1,1,0,0,0,0|2,0,0]=4 2740 B10R1.8 CSc1cc(cc(c1)C)C 62a_100011215608_200000210301 [1,1,0,0,0,0|1,0,0]=3 2741 B10R1.8 CSc1cc(cc(c1)C)C 62a_200000210301_100011215608 [1,1,0,0,0,0|1,0,0]=3 2742 B10R1.8 CSc1cc(cc(c1)Cl)C 62a_100010172791_200000210301 [1,1,0,0,0,0|1,0,0]=3 2743 B10R1.8 CSc1cc(cc(c1)Cl)C 62a_200000210301_100010172791 [1,1,0,0,0,0|1,0,0]=3 2744 B10R1.8 CSc1cc(cc(c1)Cl)Cl 62a_100000747138_200000210301 [1,1,0,0,0,0|2,0,0]=4 2745 B10R1.8 CSc1cc(cc(c1)Cl)Cl 62a_200000210301_100000747138 [1,1,0,0,0,0|2,0,0]=4 2746 B10R1.8 CSc1cc(cc(c1)Cl)F 62a_100013859453_200000210301 [1,1,0,0,0,0|2,0,0]=4 2747 B10R1.8 CSc1cc(cc(c1)Cl)F 62a_200000210301_100013859453 [1,1,0,0,0,0|2,0,0]=4 2748 B10R1.8 CSc1cc(cc(c1)Cl)N 62a_100010147676_200000210301 [1,1,0,0,0,0|2,0,0]=4 2749 B10R1.8 CSc1cc(cc(c1)Cl)N 62a_200000210301_100010147676 [1,1,0,0,0,0|2,0,0]=4 2750 B10R1.8 CSc1cc(cc(c1)Cl)O 62a_100010068924_200000210301 [1,1,0,0,0,0|2,0,0]=4 2751 B10R1.8 CSc1cc(cc(c1)Cl)O 62a_200000210301_100010068924 [1,1,0,0,0,0|2,0,0]=4 2752 B10R1.8 CSc1cc(cc(c1)F)C 62a_100011356977_200000210301 [1,1,0,0,0,0|1,0,0]=3 2753 B10R1.8 CSc1cc(cc(c1)F)C 62a_200000210301_100011356977 [1,1,0,0,0,0|1,0,0]=3 2754 B10R1.8 CSc1cc(cc(c1)F)F 62a_100000233788_200000210301 [1,1,0,0,0,0|2,0,0]=4 2755 B10R1.8 CSc1cc(cc(c1)F)F 62a_200000210301_100000233788 [1,1,0,0,0,0|2,0,0]=4 2756 B10R1.8 CSc1cc(cc(c1)F)N 62a_100011356972_200000210301 [1,1,0,0,0,0|2,0,0]=4 2757 B10R1.8 CSc1cc(cc(c1)F)N 62a_200000210301_100011356972 [1,1,0,0,0,0|2,0,0]=4 2758 B10R1.8 CSc1cc(cc(c1)F)O 271570a_203496583355_200010245467 [1,1,0,0,0,0|2,0,0]=4 2759 B10R1.8 CSc1cc(cc(c1)F)O 62a_100000688818_200000210301 [1,1,0,0,0,0|2,0,0]=4 2760 B10R1.8 CSc1cc(cc(c1)F)O 62a_200000210301_100000688818 [1,1,0,0,0,0|2,0,0]=4 2761 B10R1.8 CSc1cc(cc(c1)N)C 62a_100000695972_200000210301 [1,1,0,0,0,0|1,0,0]=3 2762 B10R1.8 CSc1cc(cc(c1)N)C 62a_200000210301_100000695972 [1,1,0,0,0,0|1,0,0]=3 2763 B10R1.8 CSc1cc(cc(c1)N)N 62a_100011999608_200000210301 [1,1,0,0,0,0|2,0,0]=4 2764 B10R1.8 CSc1cc(cc(c1)N)N 62a_200000210301_100011999608 [1,1,0,0,0,0|2,0,0]=4 2765 B10R1.8 CSc1cc(cc(c1)O)C 271570a_203496583355_200010709730 [1,1,0,0,0,0|1,0,0]=3 2766 B10R1.8 CSc1cc(cc(c1)O)C 62a_200000210301_100011999630 [1,1,0,0,0,0|1,0,0]=3 2767 B10R1.8 CSc1cc(cc(c1)O)O 62a_200000210301_100009868816 [1,1,0,0,0,0|2,0,0]=4 2768 B10R1.8 CSc1cc(cc(n1)C)C 62a_100000069240_200000210301 [1,1,0,0,0,0|2,0,0]=4 2769 B10R1.8 CSc1cc(cc(n1)C)C 62a_200000210301_100000069240 [1,1,0,0,0,0|2,0,0]=4 2770 B10R1.8 CSc1cc(cc(n1)C)N 62a_100000071261_200000210301 [1,1,0,0,0,0|2,0,0]=4 2771 B10R1.8 CSc1cc(cc(n1)C)N 62a_200000210301_100000071261 [1,1,0,0,0,0|2,0,0]=4 2772 B10R1.8 CSc1cc(cc(n1)F)C 62a_100009819601_200000210301 [1,1,0,0,0,0|2,0,0]=4 2773 B10R1.8 CSc1cc(cc(n1)F)C 62a_200000210301_100009819601 [1,1,0,0,0,0|2,0,0]=4 2774 B10R1.8 CSc1cc(cc(n1)N)C 62a_100009819863_200000210301 [1,1,0,0,0,0|2,0,0]=4 2775 B10R1.8 CSc1cc(cc(n1)N)C 62a_200000210301_100009819863 [1,1,0,0,0,0|2,0,0]=4 2776 B10R1.8 CSc1cc(nc(c1)C)C 62a_100000066820_200000210301 [1,1,0,0,0,0|2,0,0]=4 2777 B10R1.8 CSc1cc(nc(c1)C)C 62a_200000210301_100000066820 [1,1,0,0,0,0|2,0,0]=4 2778 B10R1.8 CSc1cc(nc(c1)Cl)C 62a_100010068023_200000210301 [1,1,0,0,0,0|2,0,0]=4 2779 B10R1.8 CSc1cc(nc(c1)Cl)C 62a_200000210301_100010068023 [1,1,0,0,0,0|2,0,0]=4 2780 B10R1.8 CSc1cc(nc(c1)F)C 62a_100010006595_200000210301 [1,1,0,0,0,0|2,0,0]=4 2781 B10R1.8 CSc1cc(nc(c1)F)C 62a_200000210301_100010006595 [1,1,0,0,0,0|2,0,0]=4 2782 B10R1.8 CSc1cc(nc(c1)N)C 62a_100000076705_200000210301 [1,1,0,0,0,0|2,0,0]=4 2783 B10R1.8 CSc1cc(nc(c1)N)C 62a_200000210301_100000076705 [1,1,0,0,0,0|2,0,0]=4 2784 B10R1.8 Cc1cc(=O)cc(o1)O[13CH3] 34a_100016989201_200025704644 [1,1,0,0,0,0|2,0,0]=4 2785 B10R1.8 Cc1cc(cc(=O)[nH]1)O[13CH3] 34a_100000039070_200025704644 [1,1,0,0,0,0|2,0,0]=4 2786 B10R1.8 Cc1cc(cc(=O)[nH]1)S[13CH3] 62a_100009861981_200025704644 [1,1,0,0,0,0|2,0,0]=4 2787 B10R1.8 Cc1cc(cc(=O)[nH]1)S[13CH3] 62a_200025704644_100009861981 [1,1,0,0,0,0|2,0,0]=4 2788 B10R1.8 Cc1cc(cc(=O)o1)O[13CH3] 34a_100000210952_200025704644 [1,1,0,0,0,0|2,0,0]=4 2789 B10R1.8 Cc1cc(cc(=O)o1)O[13CH3] 7a_100000210952_200025704644 [1,1,0,0,0,0|2,0,0]=4 2790 B10R1.8 Cc1cc(cc(c1)C#N)O 271570a_203496583355_100011998626 [1,1,0,0,0,0|1,0,1]=4 2791 B10R1.8 Cc1cc(cc(c1)C=O)O 271570a_203496583355_100000686105 [1,1,0,0,0,0|0,0,0]=2 2792 B10R1.8 Cc1cc(cc(c1)CO)O 271570a_203496583355_100000720511 [1,1,0,0,0,0|0,0,2]=4 2793 B10R1.8 Cc1cc(cc(c1)N[13CH3])Br 34a_100000695972_200025704644 [1,1,0,0,0,0|1,0,0]=3 2794 B10R1.8 Cc1cc(cc(c1)N[13CH3])Br 7a_100000695972_200025704644 [1,1,0,0,0,0|1,0,0]=3 2795 B10R1.8 Cc1cc(cc(c1)N[13CH3])C 2230a_100000210930_200025704644 [1,1,0,0,0,0|1,0,0]=3 2796 B10R1.8 Cc1cc(cc(c1)N[13CH3])C 34a_100000210930_200025704644 [1,1,0,0,0,0|1,0,0]=3 2797 B10R1.8 Cc1cc(cc(c1)N[13CH3])C 7a_100000210930_200025704644 [1,1,0,0,0,0|1,0,0]=3 2798 B10R1.8 Cc1cc(cc(c1)N[13CH3])Cl 2230a_100012022512_200025704644 [1,1,0,0,0,0|1,0,0]=3 2799 B10R1.8 Cc1cc(cc(c1)N[13CH3])Cl 34a_100012022512_200025704644 [1,1,0,0,0,0|1,0,0]=3 2800 B10R1.8 Cc1cc(cc(c1)N[13CH3])Cl 7a_100012022512_200025704644 [1,1,0,0,0,0|1,0,0]=3 2801 B10R1.8 Cc1cc(cc(c1)N[13CH3])F 2230a_100000742734_200025704644 [1,1,0,0,0,0|1,0,0]=3 2802 B10R1.8 Cc1cc(cc(c1)N[13CH3])F 34a_100000742734_200025704644 [1,1,0,0,0,0|1,0,0]=3 2803 B10R1.8 Cc1cc(cc(c1)N[13CH3])F 7a_100000742734_200025704644 [1,1,0,0,0,0|1,0,0]=3 2804 B10R1.8 Cc1cc(cc(c1)N[13CH3])O 34a_100011995906_200025704644 [1,1,0,0,0,0|1,0,0]=3 2805 B10R1.8 Cc1cc(cc(c1)N[13CH3])O 7a_100011995906_200025704644 [1,1,0,0,0,0|1,0,0]=3 2806 B10R1.8 Cc1cc(cc(c1)O[13CH3])Br 34a_100011999630_200025704644 [1,1,0,0,0,0|1,0,0]=3 2807 B10R1.8 Cc1cc(cc(c1)O[13CH3])Br 7a_100011999630_200025704644 [1,1,0,0,0,0|1,0,0]=3 2808 B10R1.8 Cc1cc(cc(c1)O[13CH3])C 34a_100000210933_200025704644 [1,1,0,0,0,0|1,0,0]=3 2809 B10R1.8 Cc1cc(cc(c1)O[13CH3])C 7a_100000210933_200025704644 [1,1,0,0,0,0|1,0,0]=3 2810 B10R1.8 Cc1cc(cc(c1)O[13CH3])Cl 34a_100000087485_200025704644 [1,1,0,0,0,0|1,0,0]=3 2811 B10R1.8 Cc1cc(cc(c1)O[13CH3])Cl 7a_100000087485_200025704644 [1,1,0,0,0,0|1,0,0]=3 2812 B10R1.8 Cc1cc(cc(c1)O[13CH3])F 34a_100011830401_200025704644 [1,1,0,0,0,0|1,0,0]=3 2813 B10R1.8 Cc1cc(cc(c1)O[13CH3])F 7a_100011830401_200025704644 [1,1,0,0,0,0|1,0,0]=3 2814 B10R1.8 Cc1cc(cc(c1)O[13CH3])N 34a_100011995906_200025704644 [1,1,0,0,0,0|1,0,0]=3 2815 B10R1.8 Cc1cc(cc(c1)O[13CH3])N 7a_100011995906_200025704644 [1,1,0,0,0,0|1,0,0]=3 2816 B10R1.8 Cc1cc(cc(c1)S[13CH3])C 62a_100011215608_200025704644 [1,1,0,0,0,0|1,0,0]=3 2817 B10R1.8 Cc1cc(cc(c1)S[13CH3])C 62a_200025704644_100011215608 [1,1,0,0,0,0|1,0,0]=3 2818 B10R1.8 Cc1cc(cc(c1)S[13CH3])Cl 62a_100010172791_200025704644 [1,1,0,0,0,0|1,0,0]=3 2819 B10R1.8 Cc1cc(cc(c1)S[13CH3])Cl 62a_200025704644_100010172791 [1,1,0,0,0,0|1,0,0]=3 2820 B10R1.8 Cc1cc(cc(c1)S[13CH3])F 62a_100011356977_200025704644 [1,1,0,0,0,0|1,0,0]=3 2821 B10R1.8 Cc1cc(cc(c1)S[13CH3])F 62a_200025704644_100011356977 [1,1,0,0,0,0|1,0,0]=3 2822 B10R1.8 Cc1cc(cc(c1)S[13CH3])N 62a_100000695972_200025704644 [1,1,0,0,0,0|1,0,0]=3 2823 B10R1.8 Cc1cc(cc(c1)S[13CH3])N 62a_200025704644_100000695972 [1,1,0,0,0,0|1,0,0]=3 2824 B10R1.8 Cc1cc(cc(c1)S[13CH3])O 62a_200025704644_100011999630 [1,1,0,0,0,0|1,0,0]=3 2825 B10R1.8 Cc1cc(cc(n1)C)S[13CH3] 62a_100000066820_200025704644 [1,1,0,0,0,0|2,0,0]=4 2826 B10R1.8 Cc1cc(cc(n1)C)S[13CH3] 62a_200025704644_100000066820 [1,1,0,0,0,0|2,0,0]=4 2827 B10R1.8 Cc1cc(cc(n1)C=O)O 271570a_203496583355_100009814795 [1,1,0,0,0,0|1,0,0]=3 2828 B10R1.8 Cc1cc(cc(n1)Cl)S[13CH3] 62a_100010068023_200025704644 [1,1,0,0,0,0|2,0,0]=4 2829 B10R1.8 Cc1cc(cc(n1)Cl)S[13CH3] 62a_200025704644_100010068023 [1,1,0,0,0,0|2,0,0]=4 2830 B10R1.8 Cc1cc(cc(n1)F)S[13CH3] 62a_100010006595_200025704644 [1,1,0,0,0,0|2,0,0]=4 2831 B10R1.8 Cc1cc(cc(n1)F)S[13CH3] 62a_200025704644_100010006595 [1,1,0,0,0,0|2,0,0]=4 2832 B10R1.8 Cc1cc(cc(n1)N)S[13CH3] 62a_100000076705_200025704644 [1,1,0,0,0,0|2,0,0]=4 2833 B10R1.8 Cc1cc(cc(n1)N)S[13CH3] 62a_200025704644_100000076705 [1,1,0,0,0,0|2,0,0]=4 2834 B10R1.8 Cc1cc(cc(n1)S[13CH3])N 62a_100000071261_200025704644 [1,1,0,0,0,0|2,0,0]=4 2835 B10R1.8 Cc1cc(cc(n1)S[13CH3])N 62a_200025704644_100000071261 [1,1,0,0,0,0|2,0,0]=4 2836 B10R1.8 Cc1cc(nc(c1)S[13CH3])C 62a_100000069240_200025704644 [1,1,0,0,0,0|2,0,0]=4 2837 B10R1.8 Cc1cc(nc(c1)S[13CH3])C 62a_200025704644_100000069240 [1,1,0,0,0,0|2,0,0]=4 2838 B10R1.8 Cc1cc(nc(c1)S[13CH3])F 62a_100009819601_200025704644 [1,1,0,0,0,0|2,0,0]=4 2839 B10R1.8 Cc1cc(nc(c1)S[13CH3])F 62a_200025704644_100009819601 [1,1,0,0,0,0|2,0,0]=4 2840 B10R1.8 Cc1cc(nc(c1)S[13CH3])N 62a_100009819863_200025704644 [1,1,0,0,0,0|2,0,0]=4 2841 B10R1.8 Cc1cc(nc(c1)S[13CH3])N 62a_200025704644_100009819863 [1,1,0,0,0,0|2,0,0]=4 2842 B10R1.8 O=Cc1cc(cc(c1)Br)O 271570a_203496583355_100010185649 [1,1,0,0,0,0|1,0,0]=3 2843 B10R1.8 O=Cc1cc(cc(c1)F)O 271570a_203496583355_100011794424 [1,1,0,0,0,0|1,0,0]=3 2844 B10R1.8 O=Cc1cc(cc(c1)O)O 271570a_203496583355_100010176088 [1,1,0,0,0,0|1,0,0]=3 2845 B10R1.8 [13CH3]Nc1cc(cc(c1)Br)Br 34a_100012047176_200025704644 [1,1,0,0,0,0|2,0,0]=4 2846 B10R1.8 [13CH3]Nc1cc(cc(c1)Br)Br 7a_100012047176_200025704644 [1,1,0,0,0,0|2,0,0]=4 2847 B10R1.8 [13CH3]Nc1cc(cc(c1)Br)Cl 34a_100011934539_200025704644 [1,1,0,0,0,0|2,0,0]=4 2848 B10R1.8 [13CH3]Nc1cc(cc(c1)Br)Cl 7a_100011934539_200025704644 [1,1,0,0,0,0|2,0,0]=4 2849 B10R1.8 [13CH3]Nc1cc(cc(c1)Br)F 34a_100000705686_200025704644 [1,1,0,0,0,0|2,0,0]=4 2850 B10R1.8 [13CH3]Nc1cc(cc(c1)Br)F 7a_100000705686_200025704644 [1,1,0,0,0,0|2,0,0]=4 2851 B10R1.8 [13CH3]Nc1cc(cc(c1)Cl)Cl 34a_100000210456_200025704644 [1,1,0,0,0,0|2,0,0]=4 2852 B10R1.8 [13CH3]Nc1cc(cc(c1)Cl)Cl 7a_100000210456_200025704644 [1,1,0,0,0,0|2,0,0]=4 2853 B10R1.8 [13CH3]Nc1cc(cc(c1)Cl)F 34a_100000686136_200025704644 [1,1,0,0,0,0|2,0,0]=4 2854 B10R1.8 [13CH3]Nc1cc(cc(c1)Cl)F 7a_100000686136_200025704644 [1,1,0,0,0,0|2,0,0]=4 2855 B10R1.8 [13CH3]Nc1cc(cc(c1)Cl)O 34a_100000123917_200025704644 [1,1,0,0,0,0|2,0,0]=4 2856 B10R1.8 [13CH3]Nc1cc(cc(c1)Cl)O 7a_100000123917_200025704644 [1,1,0,0,0,0|2,0,0]=4 2857 B10R1.8 [13CH3]Nc1cc(cc(c1)F)F 34a_100000233717_200025704644 [1,1,0,0,0,0|2,0,0]=4 2858 B10R1.8 [13CH3]Nc1cc(cc(c1)F)F 7a_100000233717_200025704644 [1,1,0,0,0,0|2,0,0]=4 2859 B10R1.8 [13CH3]Nc1cc(cc(c1)I)Br 7a_100009814763_200025704644 [1,1,0,0,0,0|2,0,0]=4 2860 B10R1.8 [13CH3]Nc1cc(cc(c1)I)Cl 7a_100010147676_200025704644 [1,1,0,0,0,0|2,0,0]=4 2861 B10R1.8 [13CH3]Nc1cc(cc(c1)I)F 34a_100011356972_200025704644 [1,1,0,0,0,0|2,0,0]=4 2862 B10R1.8 [13CH3]Nc1cc(cc(c1)I)F 7a_100011356972_200025704644 [1,1,0,0,0,0|2,0,0]=4 2863 B10R1.8 [13CH3]Nc1cc(cc(c1)I)I 7a_200000696836_200025704644 [1,1,0,0,0,0|2,0,0]=4 2864 B10R1.8 [13CH3]Nc1cc(cc(c1)O)O 34a_100000043371_200025704644 [1,1,0,0,0,0|2,0,0]=4 2865 B10R1.8 [13CH3]Oc1cc(cc(c1)Br)Br 34a_100010167048_200025704644 [1,1,0,0,0,0|2,0,0]=4 2866 B10R1.8 [13CH3]Oc1cc(cc(c1)Br)Br 7a_100010167048_200025704644 [1,1,0,0,0,0|2,0,0]=4 2867 B10R1.8 [13CH3]Oc1cc(cc(c1)Br)Cl 34a_100010185897_200025704644 [1,1,0,0,0,0|2,0,0]=4 2868 B10R1.8 [13CH3]Oc1cc(cc(c1)Br)Cl 7a_100010185897_200025704644 [1,1,0,0,0,0|2,0,0]=4 2869 B10R1.8 [13CH3]Oc1cc(cc(c1)Br)F 34a_100000688818_200025704644 [1,1,0,0,0,0|2,0,0]=4 2870 B10R1.8 [13CH3]Oc1cc(cc(c1)Br)F 7a_100000688818_200025704644 [1,1,0,0,0,0|2,0,0]=4 2871 B10R1.8 [13CH3]Oc1cc(cc(c1)Cl)Cl 34a_100000181315_200025704644 [1,1,0,0,0,0|2,0,0]=4 2872 B10R1.8 [13CH3]Oc1cc(cc(c1)Cl)Cl 7a_100000181315_200025704644 [1,1,0,0,0,0|2,0,0]=4 2873 B10R1.8 [13CH3]Oc1cc(cc(c1)Cl)F 34a_100011219751_200025704644 [1,1,0,0,0,0|2,0,0]=4 2874 B10R1.8 [13CH3]Oc1cc(cc(c1)Cl)F 7a_100011219751_200025704644 [1,1,0,0,0,0|2,0,0]=4 2875 B10R1.8 [13CH3]Oc1cc(cc(c1)Cl)N 34a_100000123917_200025704644 [1,1,0,0,0,0|2,0,0]=4 2876 B10R1.8 [13CH3]Oc1cc(cc(c1)Cl)N 7a_100000123917_200025704644 [1,1,0,0,0,0|2,0,0]=4 2877 B10R1.8 [13CH3]Oc1cc(cc(c1)F)F 34a_100000747503_200025704644 [1,1,0,0,0,0|2,0,0]=4 2878 B10R1.8 [13CH3]Oc1cc(cc(c1)F)F 7a_100000747503_200025704644 [1,1,0,0,0,0|2,0,0]=4 2879 B10R1.8 [13CH3]Oc1cc(cc(c1)I)Br 34a_100010068917_200025704644 [1,1,0,0,0,0|2,0,0]=4 2880 B10R1.8 [13CH3]Oc1cc(cc(c1)I)Br 7a_100010068917_200025704644 [1,1,0,0,0,0|2,0,0]=4 2881 B10R1.8 [13CH3]Oc1cc(cc(c1)I)Cl 34a_100010068924_200025704644 [1,1,0,0,0,0|2,0,0]=4 2882 B10R1.8 [13CH3]Oc1cc(cc(c1)I)Cl 7a_100010068924_200025704644 [1,1,0,0,0,0|2,0,0]=4 2883 B10R1.8 [13CH3]Oc1cc(cc(c1)I)F 34a_100000717995_200025704644 [1,1,0,0,0,0|2,0,0]=4 2884 B10R1.8 [13CH3]Oc1cc(cc(c1)I)F 7a_100000717995_200025704644 [1,1,0,0,0,0|2,0,0]=4 2885 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)Br 62a_100009814770_200025704644 [1,1,0,0,0,0|2,0,0]=4 2886 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)Br 62a_200025704644_100009814770 [1,1,0,0,0,0|2,0,0]=4 2887 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)Cl 62a_100009814755_200025704644 [1,1,0,0,0,0|2,0,0]=4 2888 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)Cl 62a_200025704644_100009814755 [1,1,0,0,0,0|2,0,0]=4 2889 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)F 62a_100009814764_200025704644 [1,1,0,0,0,0|2,0,0]=4 2890 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)F 62a_200025704644_100009814764 [1,1,0,0,0,0|2,0,0]=4 2891 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)N 62a_100009814763_200025704644 [1,1,0,0,0,0|2,0,0]=4 2892 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)N 62a_200025704644_100009814763 [1,1,0,0,0,0|2,0,0]=4 2893 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)O 62a_100010068917_200025704644 [1,1,0,0,0,0|2,0,0]=4 2894 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)O 62a_200025704644_100010068917 [1,1,0,0,0,0|2,0,0]=4 2895 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)Cl 62a_100000747138_200025704644 [1,1,0,0,0,0|2,0,0]=4 2896 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)Cl 62a_200025704644_100000747138 [1,1,0,0,0,0|2,0,0]=4 2897 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)F 62a_100013859453_200025704644 [1,1,0,0,0,0|2,0,0]=4 2898 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)F 62a_200025704644_100013859453 [1,1,0,0,0,0|2,0,0]=4 2899 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)N 62a_100010147676_200025704644 [1,1,0,0,0,0|2,0,0]=4 2900 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)N 62a_200025704644_100010147676 [1,1,0,0,0,0|2,0,0]=4 2901 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)O 62a_100010068924_200025704644 [1,1,0,0,0,0|2,0,0]=4 2902 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)O 62a_200025704644_100010068924 [1,1,0,0,0,0|2,0,0]=4 2903 B10R1.8 [13CH3]Sc1cc(cc(c1)F)F 62a_100000233788_200025704644 [1,1,0,0,0,0|2,0,0]=4 2904 B10R1.8 [13CH3]Sc1cc(cc(c1)F)F 62a_200025704644_100000233788 [1,1,0,0,0,0|2,0,0]=4 2905 B10R1.8 [13CH3]Sc1cc(cc(c1)F)N 62a_100011356972_200025704644 [1,1,0,0,0,0|2,0,0]=4 2906 B10R1.8 [13CH3]Sc1cc(cc(c1)F)N 62a_200025704644_100011356972 [1,1,0,0,0,0|2,0,0]=4 2907 B10R1.8 [13CH3]Sc1cc(cc(c1)F)O 62a_100000688818_200025704644 [1,1,0,0,0,0|2,0,0]=4 2908 B10R1.8 [13CH3]Sc1cc(cc(c1)F)O 62a_200025704644_100000688818 [1,1,0,0,0,0|2,0,0]=4 2909 B10R1.8 [13CH3]Sc1cc(cc(c1)N)N 62a_100011999608_200025704644 [1,1,0,0,0,0|2,0,0]=4 2910 B10R1.8 [13CH3]Sc1cc(cc(c1)N)N 62a_200025704644_100011999608 [1,1,0,0,0,0|2,0,0]=4 2911 B10R1.8 [13CH3]Sc1cc(cc(c1)O)O 62a_200025704644_100009868816 [1,1,0,0,0,0|2,0,0]=4 2912 B10R1.10 C=C=Cc1cc(ccn1)C 271570a_100015277604_100000750283 [1,1,0,0,0,0|1,0,1]=4 2913 B10R1.10 C=C=Cc1ccc[n+](c1)C 271570a_100015277604_100009996589 [1,1,0,0,0,0|1,0,1]=4 2914 B10R1.10 C=C=Cc1cccc(c1)Br 271570a_100015277604_100000691529 [1,1,0,0,0,0|1,0,1]=4 2915 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [1,1,0,0,0,0|0,0,1]=3 2916 B10R1.10 C=C=Cc1cccc(c1)Cl 271570a_100015277604_100000699651 [1,1,0,0,0,0|1,0,1]=4 2917 B10R1.10 C=C=Cc1cccc(c1)F 271570a_100015277604_100000685547 [1,1,0,0,0,0|1,0,1]=4 2918 B10R1.10 C=C=Cc1cccc(c1)N 271570a_100015277604_100000210019 [1,1,0,0,0,0|1,0,1]=4 2919 B10R1.10 C=C=Cc1cccc(c1)O 271570a_100015277604_100000211634 [1,1,0,0,0,0|1,0,1]=4 2920 B10R1.10 C=C=Cc1cccc(c1)[S] 271570a_100015277604_114929384022 [1,1,0,0,0,0|1,0,1]=4 2921 B10R1.10 C=C=Cc1cccc(n1)C 271570a_100015277604_100000742759 [1,1,0,0,0,0|1,0,1]=4 2922 B10R1.10 C=C=Cc1ccnc(c1)C 271570a_100015277604_100000758586 [1,1,0,0,0,0|1,0,1]=4 2923 B10R1.10 C=C=Cc1cncc(c1)C 271570a_100015277604_100000760492 [1,1,0,0,0,0|1,0,1]=4 2924 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|1,0,1]=4 2925 B10R1.10 CC#Cc1cccc(c1)O 271570a_203496583355_200009843338 [1,1,0,0,0,0|1,0,1]=4 2926 B10R1.10 CC=Cc1cc(ccn1)C 271570a_100016259895_100000750283 [1,1,0,0,0,0|1,0,0]=3 2927 B10R1.10 CC=Cc1cc(ccn1)Cl 271570a_100016259895_100010167805 [1,1,0,0,0,0|2,0,0]=4 2928 B10R1.10 CC=Cc1cc(ccn1)F 271570a_100016259895_100009817058 [1,1,0,0,0,0|2,0,0]=4 2929 B10R1.10 CC=Cc1cc(ccn1)N 271570a_100016259895_100009814236 [1,1,0,0,0,0|2,0,0]=4 2930 B10R1.10 CC=Cc1cc(ccn1)O 271570a_100016259895_100000762945 [1,1,0,0,0,0|2,0,0]=4 2931 B10R1.10 CC=Cc1cc(cnn1)C 271570a_100016259895_100000070100 [1,1,0,0,0,0|2,0,0]=4 2932 B10R1.10 CC=Cc1cc(ncn1)C 271570a_100016259895_100000744208 [1,1,0,0,0,0|2,0,0]=4 2933 B10R1.10 CC=Cc1cc[nH]c(=O)c1 271570a_100016259895_100009816521 [1,1,0,0,0,0|2,0,0]=4 2934 B10R1.10 CC=Cc1ccc[n+](c1)C 271570a_100016259895_100009996589 [1,1,0,0,0,0|1,0,0]=3 2935 B10R1.10 CC=Cc1ccc[n+](c1)[O-] 271570a_100016259895_100009815978 [1,1,0,0,0,0|2,0,0]=4 2936 B10R1.10 CC=Cc1cccc(=O)[nH]1 271570a_100016259895_100000761760 [1,1,0,0,0,0|2,0,0]=4 2937 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|1,0,0]=3 2938 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|0,0,0]=2 2939 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|1,0,0]=3 2940 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|1,0,0]=3 2941 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|1,0,0]=3 2942 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|1,0,0]=3 2943 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|1,0,0]=3 2944 B10R1.10 CC=Cc1cccc(n1)Br 271570a_100016259895_100000684672 [1,1,0,0,0,0|2,0,0]=4 2945 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [1,1,0,0,0,0|1,0,0]=3 2946 B10R1.10 CC=Cc1cccc(n1)F 271570a_100016259895_100009815982 [1,1,0,0,0,0|2,0,0]=4 2947 B10R1.10 CC=Cc1cccc(n1)N 271570a_100016259895_100000740741 [1,1,0,0,0,0|2,0,0]=4 2948 B10R1.10 CC=Cc1ccnc(c1)Br 271570a_100016259895_100009814637 [1,1,0,0,0,0|2,0,0]=4 2949 B10R1.10 CC=Cc1ccnc(c1)C 271570a_100016259895_100000758586 [1,1,0,0,0,0|1,0,0]=3 2950 B10R1.10 CC=Cc1ccnc(c1)Cl 271570a_100016259895_100000035001 [1,1,0,0,0,0|2,0,0]=4 2951 B10R1.10 CC=Cc1ccnc(c1)F 271570a_100016259895_100009816116 [1,1,0,0,0,0|2,0,0]=4 2952 B10R1.10 CC=Cc1ccnc(c1)N 271570a_100016259895_100000744379 [1,1,0,0,0,0|2,0,0]=4 2953 B10R1.10 CC=Cc1ccnc(n1)C 271570a_100016259895_100000749937 [1,1,0,0,0,0|2,0,0]=4 2954 B10R1.10 CC=Cc1cncc(c1)Br 271570a_100016259895_100000728054 [1,1,0,0,0,0|2,0,0]=4 2955 B10R1.10 CC=Cc1cncc(c1)C 271570a_100016259895_100000760492 [1,1,0,0,0,0|1,0,0]=3 2956 B10R1.10 CC=Cc1cncc(c1)Cl 271570a_100016259895_100000049639 [1,1,0,0,0,0|2,0,0]=4 2957 B10R1.10 CC=Cc1cncc(c1)F 271570a_100016259895_100000744099 [1,1,0,0,0,0|2,0,0]=4 2958 B10R1.10 CC=Cc1cncc(c1)N 271570a_100016259895_100000687067 [1,1,0,0,0,0|2,0,0]=4 2959 B10R1.10 CC=Cc1cncc(c1)O 271570a_100016259895_100000754920 [1,1,0,0,0,0|2,0,0]=4 2960 B10R1.10 CC=Cc1cncc(n1)C 271570a_100016259895_100009842155 [1,1,0,0,0,0|2,0,0]=4 2961 B10R1.10 CC=Cc1nccc(n1)C 271570a_100016259895_100011243806 [1,1,0,0,0,0|2,0,0]=4 2962 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|1,0,1]=4 2963 B10R1.10 CCNc1cccc(c1)Br 34a_100000210019_100000210202 [1,1,0,0,0,0|1,0,1]=4 2964 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [1,1,0,0,0,0|0,0,1]=3 2965 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [1,1,0,0,0,0|0,0,1]=3 2966 B10R1.10 CCNc1cccc(c1)Cl 34a_100000185859_100000210202 [1,1,0,0,0,0|1,0,1]=4 2967 B10R1.10 CCNc1cccc(c1)F 34a_100000210047_100000210202 [1,1,0,0,0,0|1,0,1]=4 2968 B10R1.10 CCNc1cccc(c1)I 34a_100000211102_100000210202 [1,1,0,0,0,0|1,0,1]=4 2969 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [1,1,0,0,0,0|1,0,1]=4 2970 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [1,1,0,0,0,0|1,0,1]=4 2971 B10R1.10 CCNc1ccnc(c1)C 27a_100015525214_100000758586 [1,1,0,0,0,0|1,0,1]=4 2972 B10R1.10 CCOc1cccc(c1)Br 34a_100000210342_100000210202 [1,1,0,0,0,0|1,0,1]=4 2973 B10R1.10 CCOc1cccc(c1)Br 7a_100000210342_100000210202 [1,1,0,0,0,0|1,0,1]=4 2974 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [1,1,0,0,0,0|0,0,1]=3 2975 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [1,1,0,0,0,0|0,0,1]=3 2976 B10R1.10 CCOc1cccc(c1)Cl 34a_100000210295_100000210202 [1,1,0,0,0,0|1,0,1]=4 2977 B10R1.10 CCOc1cccc(c1)Cl 7a_100000210295_100000210202 [1,1,0,0,0,0|1,0,1]=4 2978 B10R1.10 CCOc1cccc(c1)F 34a_100000210426_100000210202 [1,1,0,0,0,0|1,0,1]=4 2979 B10R1.10 CCOc1cccc(c1)F 7a_100000210426_100000210202 [1,1,0,0,0,0|1,0,1]=4 2980 B10R1.10 CCOc1cccc(c1)I 34a_100000211634_100000210202 [1,1,0,0,0,0|1,0,1]=4 2981 B10R1.10 CCOc1cccc(c1)I 7a_100000211634_100000210202 [1,1,0,0,0,0|1,0,1]=4 2982 B10R1.10 CCOc1cccc(c1)N 34a_100000210217_100000210202 [1,1,0,0,0,0|1,0,1]=4 2983 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [1,1,0,0,0,0|1,0,1]=4 2984 B10R1.10 CCOc1ccnc(c1)C 34a_100000688365_100000210202 [1,1,0,0,0,0|1,0,1]=4 2985 B10R1.10 CCOc1cncc(c1)C 34a_100011830280_100000210202 [1,1,0,0,0,0|1,0,1]=4 2986 B10R1.10 CCOc1cncc(c1)C 7a_100011830280_100000210202 [1,1,0,0,0,0|1,0,1]=4 2987 B10R1.10 CCSc1cc(ccn1)C 62a_100000210202_100000750283 [1,1,0,0,0,0|1,0,1]=4 2988 B10R1.10 CCSc1cc(ccn1)C 62a_100000750283_100000210202 [1,1,0,0,0,0|1,0,1]=4 2989 B10R1.10 CCSc1ccc[n+](c1)C 62a_100000210202_100009996589 [1,1,0,0,0,0|1,0,1]=4 2990 B10R1.10 CCSc1ccc[n+](c1)C 62a_100009996589_100000210202 [1,1,0,0,0,0|1,0,1]=4 2991 B10R1.10 CCSc1cccc(c1)Br 62a_100000210202_100000691529 [1,1,0,0,0,0|1,0,1]=4 2992 B10R1.10 CCSc1cccc(c1)Br 62a_100000691529_100000210202 [1,1,0,0,0,0|1,0,1]=4 2993 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [1,1,0,0,0,0|0,0,1]=3 2994 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [1,1,0,0,0,0|0,0,1]=3 2995 B10R1.10 CCSc1cccc(c1)Cl 62a_100000210202_100000699651 [1,1,0,0,0,0|1,0,1]=4 2996 B10R1.10 CCSc1cccc(c1)Cl 62a_100000699651_100000210202 [1,1,0,0,0,0|1,0,1]=4 2997 B10R1.10 CCSc1cccc(c1)F 62a_100000210202_100000685547 [1,1,0,0,0,0|1,0,1]=4 2998 B10R1.10 CCSc1cccc(c1)F 62a_100000685547_100000210202 [1,1,0,0,0,0|1,0,1]=4 2999 B10R1.10 CCSc1cccc(c1)N 62a_100000210019_100000210202 [1,1,0,0,0,0|1,0,1]=4 3000 B10R1.10 CCSc1cccc(c1)N 62a_100000210202_100000210019 [1,1,0,0,0,0|1,0,1]=4 3001 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [1,1,0,0,0,0|1,0,1]=4 3002 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [1,1,0,0,0,0|1,0,1]=4 3003 B10R1.10 CCSc1cccc(c1)[S] 62a_100000210202_114929384022 [1,1,0,0,0,0|1,0,1]=4 3004 B10R1.10 CCSc1cccc(c1)[S] 62a_114929384022_100000210202 [1,1,0,0,0,0|1,0,1]=4 3005 B10R1.10 CCSc1cccc(n1)C 62a_100000210202_100000742759 [1,1,0,0,0,0|1,0,1]=4 3006 B10R1.10 CCSc1cccc(n1)C 62a_100000742759_100000210202 [1,1,0,0,0,0|1,0,1]=4 3007 B10R1.10 CCSc1ccnc(c1)C 62a_100000210202_100000758586 [1,1,0,0,0,0|1,0,1]=4 3008 B10R1.10 CCSc1ccnc(c1)C 62a_100000758586_100000210202 [1,1,0,0,0,0|1,0,1]=4 3009 B10R1.10 CCSc1cncc(c1)C 62a_100000210202_100000760492 [1,1,0,0,0,0|1,0,1]=4 3010 B10R1.10 CCSc1cncc(c1)C 62a_100000760492_100000210202 [1,1,0,0,0,0|1,0,1]=4 3011 B10R1.10 CNCc1cc(ccn1)C 207a_100102657272_100011361488 [1,1,0,0,0,0|1,0,1]=4 3012 B10R1.10 CNCc1cc(ccn1)C 2230a_106832991635_100000718516 [1,1,0,0,0,0|1,0,1]=4 3013 B10R1.10 CNCc1cc(ccn1)C 270004a_106832991635_100011361488 [1,1,0,0,0,0|1,0,1]=4 3014 B10R1.10 CNCc1cc(ccn1)C 34a_100102657272_100000718516 [1,1,0,0,0,0|1,0,1]=4 3015 B10R1.10 CNCc1cc(ccn1)C 7a_106832991635_100000718516 [1,1,0,0,0,0|1,0,1]=4 3016 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|1,0,1]=4 3017 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|1,0,1]=4 3018 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|1,0,1]=4 3019 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|1,0,1]=4 3020 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|1,0,1]=4 3021 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|1,0,1]=4 3022 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|1,0,1]=4 3023 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|1,0,1]=4 3024 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|0,0,1]=3 3025 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|0,0,1]=3 3026 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|0,0,1]=3 3027 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|0,0,1]=3 3028 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|0,0,1]=3 3029 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|0,0,1]=3 3030 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|0,0,1]=3 3031 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|1,0,1]=4 3032 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|1,0,1]=4 3033 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|1,0,1]=4 3034 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|1,0,1]=4 3035 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|1,0,1]=4 3036 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|1,0,1]=4 3037 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|1,0,1]=4 3038 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|1,0,1]=4 3039 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|1,0,1]=4 3040 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|1,0,1]=4 3041 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|1,0,1]=4 3042 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|1,0,1]=4 3043 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|1,0,1]=4 3044 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|1,0,1]=4 3045 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|1,0,1]=4 3046 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|1,0,1]=4 3047 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|1,0,1]=4 3048 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|1,0,1]=4 3049 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|1,0,1]=4 3050 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|1,0,1]=4 3051 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|1,0,1]=4 3052 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|1,0,1]=4 3053 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 3054 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|1,0,1]=4 3055 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|1,0,1]=4 3056 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|1,0,1]=4 3057 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 3058 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|1,0,1]=4 3059 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|1,0,1]=4 3060 B10R1.10 CNCc1cccc(n1)C 207a_100102657272_100011215050 [1,1,0,0,0,0|1,0,1]=4 3061 B10R1.10 CNCc1cccc(n1)C 2230a_106832991635_100000757606 [1,1,0,0,0,0|1,0,1]=4 3062 B10R1.10 CNCc1cccc(n1)C 270004a_106832991635_100011215050 [1,1,0,0,0,0|1,0,1]=4 3063 B10R1.10 CNCc1cccc(n1)C 34a_100000701342_200000210301 [1,1,0,0,0,0|1,0,1]=4 3064 B10R1.10 CNCc1cccc(n1)C 34a_100102657272_100000757606 [1,1,0,0,0,0|1,0,1]=4 3065 B10R1.10 CNCc1cccc(n1)C 7a_106832991635_100000757606 [1,1,0,0,0,0|1,0,1]=4 3066 B10R1.10 CNCc1ccnc(c1)C 207a_100102657272_100011361630 [1,1,0,0,0,0|1,0,1]=4 3067 B10R1.10 CNCc1ccnc(c1)C 2230a_106832991635_200020672517 [1,1,0,0,0,0|1,0,1]=4 3068 B10R1.10 CNCc1ccnc(c1)C 270004a_106832991635_100011361630 [1,1,0,0,0,0|1,0,1]=4 3069 B10R1.10 CNCc1ccnc(c1)C 34a_100011934566_200000210301 [1,1,0,0,0,0|1,0,1]=4 3070 B10R1.10 CNCc1ccnc(c1)C 34a_100102657272_200020672517 [1,1,0,0,0,0|1,0,1]=4 3071 B10R1.10 CNCc1ccnc(c1)C 7a_106832991635_200020672517 [1,1,0,0,0,0|1,0,1]=4 3072 B10R1.10 CNCc1cncc(c1)C 207a_100102657272_100011998712 [1,1,0,0,0,0|1,0,1]=4 3073 B10R1.10 CNCc1cncc(c1)C 2230a_100000692839_200000210301 [1,1,0,0,0,0|1,0,1]=4 3074 B10R1.10 CNCc1cncc(c1)C 2230a_106832991635_100000716715 [1,1,0,0,0,0|1,0,1]=4 3075 B10R1.10 CNCc1cncc(c1)C 270004a_106832991635_100011998712 [1,1,0,0,0,0|1,0,1]=4 3076 B10R1.10 CNCc1cncc(c1)C 34a_100000692839_200000210301 [1,1,0,0,0,0|1,0,1]=4 3077 B10R1.10 CNCc1cncc(c1)C 34a_100102657272_100000716715 [1,1,0,0,0,0|1,0,1]=4 3078 B10R1.10 CNCc1cncc(c1)C 7a_106832991635_100000716715 [1,1,0,0,0,0|1,0,1]=4 3079 B10R1.10 COCc1cc(ccn1)C 34a_100011998357_200000210301 [1,1,0,0,0,0|1,0,1]=4 3080 B10R1.10 COCc1cc(ccn1)C 34a_100138415774_100000718516 [1,1,0,0,0,0|1,0,1]=4 3081 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|1,0,1]=4 3082 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|1,0,1]=4 3083 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|1,0,1]=4 3084 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|0,0,1]=3 3085 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|0,0,1]=3 3086 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|0,0,1]=3 3087 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|1,0,1]=4 3088 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|1,0,1]=4 3089 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|1,0,1]=4 3090 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|1,0,1]=4 3091 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|1,0,1]=4 3092 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|1,0,1]=4 3093 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|1,0,1]=4 3094 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|1,0,1]=4 3095 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|1,0,1]=4 3096 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|1,0,1]=4 3097 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|1,0,1]=4 3098 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|1,0,1]=4 3099 B10R1.10 COCc1cccc(n1)C 34a_100000690600_200000210301 [1,1,0,0,0,0|1,0,1]=4 3100 B10R1.10 COCc1cccc(n1)C 34a_100138415774_100000757606 [1,1,0,0,0,0|1,0,1]=4 3101 B10R1.10 COCc1ccnc(c1)C 34a_100011998630_200000210301 [1,1,0,0,0,0|1,0,1]=4 3102 B10R1.10 COCc1ccnc(c1)C 34a_100138415774_200020672517 [1,1,0,0,0,0|1,0,1]=4 3103 B10R1.10 COCc1cncc(c1)C 34a_100011998709_200000210301 [1,1,0,0,0,0|1,0,1]=4 3104 B10R1.10 COCc1cncc(c1)C 34a_100138415774_100000716715 [1,1,0,0,0,0|1,0,1]=4 3105 B10R1.10 COCc1cncc(c1)C 7a_100011998709_200000210301 [1,1,0,0,0,0|1,0,1]=4 3106 B10R1.10 CSCc1cc(ccn1)C 62a_100000718516_200000210301 [1,1,0,0,0,0|1,0,1]=4 3107 B10R1.10 CSCc1cc(ccn1)C 62a_200000210301_100000718516 [1,1,0,0,0,0|1,0,1]=4 3108 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|1,0,1]=4 3109 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|1,0,1]=4 3110 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|0,0,1]=3 3111 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|0,0,1]=3 3112 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|1,0,1]=4 3113 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|1,0,1]=4 3114 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|1,0,1]=4 3115 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|1,0,1]=4 3116 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|1,0,1]=4 3117 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|1,0,1]=4 3118 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|1,0,1]=4 3119 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|1,0,1]=4 3120 B10R1.10 CSCc1cccc(n1)C 62a_100000757606_200000210301 [1,1,0,0,0,0|1,0,1]=4 3121 B10R1.10 CSCc1cccc(n1)C 62a_200000210301_100000757606 [1,1,0,0,0,0|1,0,1]=4 3122 B10R1.10 CSCc1ccnc(c1)C 62a_200000210301_200020672517 [1,1,0,0,0,0|1,0,1]=4 3123 B10R1.10 CSCc1ccnc(c1)C 62a_200020672517_200000210301 [1,1,0,0,0,0|1,0,1]=4 3124 B10R1.10 CSCc1cncc(c1)C 62a_100000716715_200000210301 [1,1,0,0,0,0|1,0,1]=4 3125 B10R1.10 CSCc1cncc(c1)C 62a_200000210301_100000716715 [1,1,0,0,0,0|1,0,1]=4 3126 B10R1.10 C[n+]1cccc(c1)SCF 62a_100009996589_100015361967 [1,1,0,0,0,0|2,0,0]=4 3127 B10R1.10 C[n+]1cccc(c1)SCF 62a_100015361967_100009996589 [1,1,0,0,0,0|2,0,0]=4 3128 B10R1.10 Cc1cc(ccn1)CN[13CH3] 34a_100011934566_200025704644 [1,1,0,0,0,0|1,0,1]=4 3129 B10R1.10 Cc1cc(ccn1)CO[13CH3] 34a_100011998630_200025704644 [1,1,0,0,0,0|1,0,1]=4 3130 B10R1.10 Cc1cc(ccn1)CS[13CH3] 62a_200020672517_200025704644 [1,1,0,0,0,0|1,0,1]=4 3131 B10R1.10 Cc1cc(ccn1)CS[13CH3] 62a_200025704644_200020672517 [1,1,0,0,0,0|1,0,1]=4 3132 B10R1.10 Cc1cc(ccn1)OCF 34a_100000688365_100015361967 [1,1,0,0,0,0|2,0,0]=4 3133 B10R1.10 Cc1cc(ccn1)SCF 62a_100000758586_100015361967 [1,1,0,0,0,0|2,0,0]=4 3134 B10R1.10 Cc1cc(ccn1)SCF 62a_100015361967_100000758586 [1,1,0,0,0,0|2,0,0]=4 3135 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|0,0,1]=3 3136 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|0,0,1]=3 3137 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|0,0,1]=3 3138 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|0,0,1]=3 3139 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|0,0,1]=3 3140 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|0,0,1]=3 3141 B10R1.10 Cc1cccc(c1)NCF 34a_100000188690_100015361967 [1,1,0,0,0,0|1,0,0]=3 3142 B10R1.10 Cc1cccc(c1)OCF 34a_100000210337_100015361967 [1,1,0,0,0,0|1,0,0]=3 3143 B10R1.10 Cc1cccc(c1)OCF 7a_100000210337_100015361967 [1,1,0,0,0,0|1,0,0]=3 3144 B10R1.10 Cc1cccc(c1)SCF 62a_100011215228_100015361967 [1,1,0,0,0,0|1,0,0]=3 3145 B10R1.10 Cc1cccc(c1)SCF 62a_100015361967_100011215228 [1,1,0,0,0,0|1,0,0]=3 3146 B10R1.10 Cc1cccc(n1)CN[13CH3] 34a_100000701342_200025704644 [1,1,0,0,0,0|1,0,1]=4 3147 B10R1.10 Cc1cccc(n1)CO[13CH3] 34a_100000690600_200025704644 [1,1,0,0,0,0|1,0,1]=4 3148 B10R1.10 Cc1cccc(n1)CS[13CH3] 62a_100000757606_200025704644 [1,1,0,0,0,0|1,0,1]=4 3149 B10R1.10 Cc1cccc(n1)CS[13CH3] 62a_200025704644_100000757606 [1,1,0,0,0,0|1,0,1]=4 3150 B10R1.10 Cc1cccc(n1)SCF 62a_100000742759_100015361967 [1,1,0,0,0,0|2,0,0]=4 3151 B10R1.10 Cc1cccc(n1)SCF 62a_100015361967_100000742759 [1,1,0,0,0,0|2,0,0]=4 3152 B10R1.10 Cc1ccnc(c1)CO[13CH3] 34a_100011998357_200025704644 [1,1,0,0,0,0|1,0,1]=4 3153 B10R1.10 Cc1ccnc(c1)CS[13CH3] 62a_100000718516_200025704644 [1,1,0,0,0,0|1,0,1]=4 3154 B10R1.10 Cc1ccnc(c1)CS[13CH3] 62a_200025704644_100000718516 [1,1,0,0,0,0|1,0,1]=4 3155 B10R1.10 Cc1ccnc(c1)SCF 62a_100000750283_100015361967 [1,1,0,0,0,0|2,0,0]=4 3156 B10R1.10 Cc1ccnc(c1)SCF 62a_100015361967_100000750283 [1,1,0,0,0,0|2,0,0]=4 3157 B10R1.10 Cc1cncc(c1)CN[13CH3] 2230a_100000692839_200025704644 [1,1,0,0,0,0|1,0,1]=4 3158 B10R1.10 Cc1cncc(c1)CN[13CH3] 34a_100000692839_200025704644 [1,1,0,0,0,0|1,0,1]=4 3159 B10R1.10 Cc1cncc(c1)CO[13CH3] 34a_100011998709_200025704644 [1,1,0,0,0,0|1,0,1]=4 3160 B10R1.10 Cc1cncc(c1)CO[13CH3] 7a_100011998709_200025704644 [1,1,0,0,0,0|1,0,1]=4 3161 B10R1.10 Cc1cncc(c1)CS[13CH3] 62a_100000716715_200025704644 [1,1,0,0,0,0|1,0,1]=4 3162 B10R1.10 Cc1cncc(c1)CS[13CH3] 62a_200025704644_100000716715 [1,1,0,0,0,0|1,0,1]=4 3163 B10R1.10 Cc1cncc(c1)OCF 34a_100011830280_100015361967 [1,1,0,0,0,0|2,0,0]=4 3164 B10R1.10 Cc1cncc(c1)OCF 7a_100011830280_100015361967 [1,1,0,0,0,0|2,0,0]=4 3165 B10R1.10 Cc1cncc(c1)SCF 62a_100000760492_100015361967 [1,1,0,0,0,0|2,0,0]=4 3166 B10R1.10 Cc1cncc(c1)SCF 62a_100015361967_100000760492 [1,1,0,0,0,0|2,0,0]=4 3167 B10R1.10 FCNc1cccc(c1)Br 34a_100000210019_100015361967 [1,1,0,0,0,0|2,0,0]=4 3168 B10R1.10 FCNc1cccc(c1)Cl 34a_100000185859_100015361967 [1,1,0,0,0,0|2,0,0]=4 3169 B10R1.10 FCNc1cccc(c1)F 34a_100000210047_100015361967 [1,1,0,0,0,0|2,0,0]=4 3170 B10R1.10 FCNc1cccc(c1)I 34a_100000211102_100015361967 [1,1,0,0,0,0|2,0,0]=4 3171 B10R1.10 FCOc1cccc(c1)Br 34a_100000210342_100015361967 [1,1,0,0,0,0|2,0,0]=4 3172 B10R1.10 FCOc1cccc(c1)Br 7a_100000210342_100015361967 [1,1,0,0,0,0|2,0,0]=4 3173 B10R1.10 FCOc1cccc(c1)Cl 34a_100000210295_100015361967 [1,1,0,0,0,0|2,0,0]=4 3174 B10R1.10 FCOc1cccc(c1)Cl 7a_100000210295_100015361967 [1,1,0,0,0,0|2,0,0]=4 3175 B10R1.10 FCOc1cccc(c1)F 34a_100000210426_100015361967 [1,1,0,0,0,0|2,0,0]=4 3176 B10R1.10 FCOc1cccc(c1)F 7a_100000210426_100015361967 [1,1,0,0,0,0|2,0,0]=4 3177 B10R1.10 FCOc1cccc(c1)I 34a_100000211634_100015361967 [1,1,0,0,0,0|2,0,0]=4 3178 B10R1.10 FCOc1cccc(c1)I 7a_100000211634_100015361967 [1,1,0,0,0,0|2,0,0]=4 3179 B10R1.10 FCSc1cccc(c1)Br 62a_100000691529_100015361967 [1,1,0,0,0,0|2,0,0]=4 3180 B10R1.10 FCSc1cccc(c1)Br 62a_100015361967_100000691529 [1,1,0,0,0,0|2,0,0]=4 3181 B10R1.10 FCSc1cccc(c1)Cl 62a_100000699651_100015361967 [1,1,0,0,0,0|2,0,0]=4 3182 B10R1.10 FCSc1cccc(c1)Cl 62a_100015361967_100000699651 [1,1,0,0,0,0|2,0,0]=4 3183 B10R1.10 FCSc1cccc(c1)F 62a_100000685547_100015361967 [1,1,0,0,0,0|2,0,0]=4 3184 B10R1.10 FCSc1cccc(c1)F 62a_100015361967_100000685547 [1,1,0,0,0,0|2,0,0]=4 3185 B10R1.10 FCSc1cccc(c1)[S] 62a_100015361967_114929384022 [1,1,0,0,0,0|2,0,0]=4 3186 B10R1.10 FCSc1cccc(c1)[S] 62a_114929384022_100015361967 [1,1,0,0,0,0|2,0,0]=4 3187 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|1,0,1]=4 3188 B10R1.10 Nc1cccc(c1)OCF 34a_100000210217_100015361967 [1,1,0,0,0,0|2,0,0]=4 3189 B10R1.10 Nc1cccc(c1)SCF 62a_100000210019_100015361967 [1,1,0,0,0,0|2,0,0]=4 3190 B10R1.10 Nc1cccc(c1)SCF 62a_100015361967_100000210019 [1,1,0,0,0,0|2,0,0]=4 3191 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|1,0,0]=3 3192 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|1,0,1]=4 3193 B10R1.10 Oc1cccc(c1)NCF 34a_100000210217_100015361967 [1,1,0,0,0,0|2,0,0]=4 3194 B10R1.10 Oc1cccc(c1)SCF 62a_100015361967_100000211634 [1,1,0,0,0,0|2,0,0]=4 3195 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|1,0,1]=4 3196 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|1,0,1]=4 3197 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|1,0,1]=4 3198 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|1,0,1]=4 3199 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|1,0,1]=4 3200 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|1,0,1]=4 3201 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|1,0,1]=4 3202 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|1,0,1]=4 3203 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 3204 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 3205 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|1,0,1]=4 3206 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|1,0,1]=4 3207 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|1,0,1]=4 3208 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|1,0,1]=4 3209 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|1,0,1]=4 3210 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|1,0,1]=4 3211 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|1,0,1]=4 3212 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|1,0,1]=4 3213 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|1,0,1]=4 3214 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|1,0,1]=4 3215 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|1,0,1]=4 3216 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|1,0,1]=4 3217 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|1,0,1]=4 3218 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|1,0,1]=4 3219 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|1,0,1]=4 3220 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|1,0,1]=4 3221 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|1,0,1]=4 3222 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|1,0,1]=4 3223 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|1,0,1]=4 3224 B10R1.30 C=Cc1cc(ccc1Br)Br 271570a_100011290941_100011483371 [1,1,0,0,0,0|1,0,1]=4 3225 B10R1.30 C=Cc1cc(ccc1Br)C 271570a_100011290941_100012353751 [1,1,0,0,0,0|0,0,1]=3 3226 B10R1.30 C=Cc1cc(ccc1Br)Cl 271570a_100011290941_100012339723 [1,1,0,0,0,0|1,0,1]=4 3227 B10R1.30 C=Cc1cc(ccc1Br)F 271570a_100011290941_100011217576 [1,1,0,0,0,0|1,0,1]=4 3228 B10R1.30 C=Cc1cc(ccc1Br)N 271570a_100011290941_100000750459 [1,1,0,0,0,0|1,0,1]=4 3229 B10R1.30 C=Cc1cc(ccc1Br)O 271570a_100011290941_100012339312 [1,1,0,0,0,0|1,0,1]=4 3230 B10R1.30 C=Cc1cc(ccc1C)Br 271570a_100011290941_100011344865 [1,1,0,0,0,0|1,0,1]=4 3231 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [1,1,0,0,0,0|0,0,1]=3 3232 B10R1.30 C=Cc1cc(ccc1C)Cl 271570a_100011290941_100011263213 [1,1,0,0,0,0|1,0,1]=4 3233 B10R1.30 C=Cc1cc(ccc1C)F 271570a_100011290941_100011218078 [1,1,0,0,0,0|1,0,1]=4 3234 B10R1.30 C=Cc1cc(ccc1C)N 271570a_100011290941_100000736455 [1,1,0,0,0,0|1,0,1]=4 3235 B10R1.30 C=Cc1cc(ccc1C)O 271570a_100011290941_100011380479 [1,1,0,0,0,0|1,0,1]=4 3236 B10R1.30 C=Cc1cc(ccc1Cl)Br 271570a_100011290941_100011772130 [1,1,0,0,0,0|1,0,1]=4 3237 B10R1.30 C=Cc1cc(ccc1Cl)C 271570a_100011290941_100012356289 [1,1,0,0,0,0|0,0,1]=3 3238 B10R1.30 C=Cc1cc(ccc1Cl)Cl 271570a_100011290941_100000707729 [1,1,0,0,0,0|1,0,1]=4 3239 B10R1.30 C=Cc1cc(ccc1Cl)F 271570a_100011290941_100011217299 [1,1,0,0,0,0|1,0,1]=4 3240 B10R1.30 C=Cc1cc(ccc1Cl)N 271570a_100011290941_100012360549 [1,1,0,0,0,0|1,0,1]=4 3241 B10R1.30 C=Cc1cc(ccc1Cl)O 271570a_100011290941_100000049588 [1,1,0,0,0,0|1,0,1]=4 3242 B10R1.30 C=Cc1cc(ccc1F)Br 271570a_100011290941_100011217312 [1,1,0,0,0,0|1,0,1]=4 3243 B10R1.30 C=Cc1cc(ccc1F)C 271570a_100011290941_100000736223 [1,1,0,0,0,0|0,0,1]=3 3244 B10R1.30 C=Cc1cc(ccc1F)Cl 271570a_100011290941_100011218116 [1,1,0,0,0,0|1,0,1]=4 3245 B10R1.30 C=Cc1cc(ccc1F)F 271570a_100011290941_100000750033 [1,1,0,0,0,0|1,0,1]=4 3246 B10R1.30 C=Cc1cc(ccc1F)N 271570a_100011290941_100000760356 [1,1,0,0,0,0|1,0,1]=4 3247 B10R1.30 C=Cc1cc(ccc1F)O 271570a_100011290941_100000693481 [1,1,0,0,0,0|1,0,1]=4 3248 B10R1.30 C=Cc1cc(ccc1N)Br 271570a_100011290941_100000187925 [1,1,0,0,0,0|1,0,1]=4 3249 B10R1.30 C=Cc1cc(ccc1N)C 271570a_100011290941_100000210942 [1,1,0,0,0,0|0,0,1]=3 3250 B10R1.30 C=Cc1cc(ccc1N)Cl 271570a_100011290941_100000761889 [1,1,0,0,0,0|1,0,1]=4 3251 B10R1.30 C=Cc1cc(ccc1N)F 271570a_100011290941_100000760547 [1,1,0,0,0,0|1,0,1]=4 3252 B10R1.30 C=Cc1cc(ccc1N)N 271570a_100011290941_100011534242 [1,1,0,0,0,0|1,0,1]=4 3253 B10R1.30 C=Cc1cc(ccc1N)O 271570a_100011290941_100012001276 [1,1,0,0,0,0|1,0,1]=4 3254 B10R1.30 C=Cc1cc(ccc1O)Br 271570a_100011290941_100012355227 [1,1,0,0,0,0|1,0,1]=4 3255 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [1,1,0,0,0,0|0,0,1]=3 3256 B10R1.30 C=Cc1cc(ccc1O)Cl 271570a_100011290941_100011356953 [1,1,0,0,0,0|1,0,1]=4 3257 B10R1.30 C=Cc1cc(ccc1O)F 271570a_100011290941_100000211999 [1,1,0,0,0,0|1,0,1]=4 3258 B10R1.30 C=Cc1cc(ccc1O)N 271570a_100011290941_100011534360 [1,1,0,0,0,0|1,0,1]=4 3259 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [1,1,0,0,0,0|1,0,1]=4 3260 B10R1.30 C=Cc1cc(cnc1C)C 271570a_100011290941_100009817436 [1,1,0,0,0,0|1,0,1]=4 3261 B10R1.30 C=Cc1cc(cnc1Cl)C 271570a_100011290941_100010210167 [1,1,0,0,0,0|1,0,1]=4 3262 B10R1.30 C=Cc1cc(cnc1F)C 271570a_100011290941_100000049784 [1,1,0,0,0,0|1,0,1]=4 3263 B10R1.30 C=Cc1cc(cnc1N)C 271570a_100011290941_100000049664 [1,1,0,0,0,0|1,0,1]=4 3264 B10R1.30 C=Cc1cc(cnc1O)C 271570a_100011290941_100000049931 [1,1,0,0,0,0|1,0,1]=4 3265 B10R1.30 C=Cc1cc(ncc1C)C 271570a_100011290941_100009862788 [1,1,0,0,0,0|1,0,1]=4 3266 B10R1.30 C=Cc1cc(ncc1F)C 271570a_100011290941_100009867690 [1,1,0,0,0,0|1,0,1]=4 3267 B10R1.30 C=Cc1cc(ncc1O)C 271570a_100011290941_100009843476 [1,1,0,0,0,0|1,0,1]=4 3268 B10R1.30 C=Cc1cn(ccc1=O)C 271570a_100011290941_100010750718 [1,1,0,0,0,0|1,0,1]=4 3269 B10R1.30 C=Cc1nc(ccc1C)C 271570a_100011290941_100009854376 [1,1,0,0,0,0|1,0,1]=4 3270 B10R1.30 C=Cc1nc(ccc1F)C 271570a_100011290941_100009817602 [1,1,0,0,0,0|1,0,1]=4 3271 B10R1.30 C=Cc1nc(ccc1N)C 271570a_100011290941_100000685570 [1,1,0,0,0,0|1,0,1]=4 3272 B10R1.30 C=Cc1nc(ccc1O)C 271570a_100011290941_100000702858 [1,1,0,0,0,0|1,0,1]=4 3273 B10R1.30 CCc1cc(ccc1Br)O 271570a_203496583355_100010244631 [1,1,0,0,0,0|1,0,1]=4 3274 B10R1.30 CCc1cc(ccc1F)O 271570a_203496583355_100010244625 [1,1,0,0,0,0|1,0,1]=4 3275 B10R1.30 CCc1cc(ccc1N)O 271570a_203496583355_100000686106 [1,1,0,0,0,0|1,0,1]=4 3276 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [1,1,0,0,0,0|1,0,1]=4 3277 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [1,1,0,0,0,0|1,0,1]=4 3278 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [1,1,0,0,0,0|1,0,1]=4 3279 B10R1.30 CNc1cc(ccc1Br)Br 34a_100000737762_200000210301 [1,1,0,0,0,0|2,0,0]=4 3280 B10R1.30 CNc1cc(ccc1Br)C 34a_100000745044_200000210301 [1,1,0,0,0,0|1,0,0]=3 3281 B10R1.30 CNc1cc(ccc1Br)Cl 34a_100000687073_200000210301 [1,1,0,0,0,0|2,0,0]=4 3282 B10R1.30 CNc1cc(ccc1Br)F 34a_100000687223_200000210301 [1,1,0,0,0,0|2,0,0]=4 3283 B10R1.30 CNc1cc(ccc1Br)O 34a_100011999798_200000210301 [1,1,0,0,0,0|2,0,0]=4 3284 B10R1.30 CNc1cc(ccc1C)Br 34a_100000741167_200000210301 [1,1,0,0,0,0|2,0,0]=4 3285 B10R1.30 CNc1cc(ccc1C)Br 7a_100000741167_200000210301 [1,1,0,0,0,0|2,0,0]=4 3286 B10R1.30 CNc1cc(ccc1C)C 2230a_100000185781_200000210301 [1,1,0,0,0,0|1,0,0]=3 3287 B10R1.30 CNc1cc(ccc1C)C 34a_100000185781_200000210301 [1,1,0,0,0,0|1,0,0]=3 3288 B10R1.30 CNc1cc(ccc1C)C 7a_100000185781_200000210301 [1,1,0,0,0,0|1,0,0]=3 3289 B10R1.30 CNc1cc(ccc1C)Cl 34a_100000211374_200000210301 [1,1,0,0,0,0|2,0,0]=4 3290 B10R1.30 CNc1cc(ccc1C)Cl 7a_100000211374_200000210301 [1,1,0,0,0,0|2,0,0]=4 3291 B10R1.30 CNc1cc(ccc1C)F 34a_100000211107_200000210301 [1,1,0,0,0,0|2,0,0]=4 3292 B10R1.30 CNc1cc(ccc1C)F 7a_100000211107_200000210301 [1,1,0,0,0,0|2,0,0]=4 3293 B10R1.30 CNc1cc(ccc1C)I 7a_100000761890_200000210301 [1,1,0,0,0,0|2,0,0]=4 3294 B10R1.30 CNc1cc(ccc1C)O 271570a_203496583355_100020629602 [1,1,0,0,0,0|2,0,0]=4 3295 B10R1.30 CNc1cc(ccc1C)O 34a_100011216113_200000210301 [1,1,0,0,0,0|2,0,0]=4 3296 B10R1.30 CNc1cc(ccc1Cl)Br 34a_100000750497_200000210301 [1,1,0,0,0,0|2,0,0]=4 3297 B10R1.30 CNc1cc(ccc1Cl)C 34a_100011215360_200000210301 [1,1,0,0,0,0|1,0,0]=3 3298 B10R1.30 CNc1cc(ccc1Cl)Cl 34a_100000184485_200000210301 [1,1,0,0,0,0|2,0,0]=4 3299 B10R1.30 CNc1cc(ccc1Cl)F 34a_100000751338_200000210301 [1,1,0,0,0,0|2,0,0]=4 3300 B10R1.30 CNc1cc(ccc1Cl)I 34a_200000761891_200000210301 [1,1,0,0,0,0|2,0,0]=4 3301 B10R1.30 CNc1cc(ccc1Cl)O 34a_100011934297_200000210301 [1,1,0,0,0,0|2,0,0]=4 3302 B10R1.30 CNc1cc(ccc1F)Br 34a_100000740924_200000210301 [1,1,0,0,0,0|2,0,0]=4 3303 B10R1.30 CNc1cc(ccc1F)C 34a_100000211285_200000210301 [1,1,0,0,0,0|1,0,0]=3 3304 B10R1.30 CNc1cc(ccc1F)Cl 34a_100000212115_200000210301 [1,1,0,0,0,0|2,0,0]=4 3305 B10R1.30 CNc1cc(ccc1F)F 34a_100000210742_200000210301 [1,1,0,0,0,0|2,0,0]=4 3306 B10R1.30 CNc1cc(ccc1F)I 34a_100011464823_200000210301 [1,1,0,0,0,0|2,0,0]=4 3307 B10R1.30 CNc1cc(ccc1F)O 271570a_203496583355_100011314990 [1,1,0,0,0,0|2,0,0]=4 3308 B10R1.30 CNc1cc(ccc1F)O 34a_100012017239_200000210301 [1,1,0,0,0,0|2,0,0]=4 3309 B10R1.30 CNc1cc(ccc1I)Br 34a_100000743836_200000210301 [1,1,0,0,0,0|2,0,0]=4 3310 B10R1.30 CNc1cc(ccc1I)C 34a_100011216686_200000210301 [1,1,0,0,0,0|1,0,0]=3 3311 B10R1.30 CNc1cc(ccc1I)Cl 34a_100000761886_200000210301 [1,1,0,0,0,0|2,0,0]=4 3312 B10R1.30 CNc1cc(ccc1I)F 34a_100011218093_200000210301 [1,1,0,0,0,0|2,0,0]=4 3313 B10R1.30 CNc1cc(ccc1N)O 271570a_203496583355_100000694363 [1,1,0,0,0,0|2,0,0]=4 3314 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [1,1,0,0,0,0|2,0,0]=4 3315 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [1,1,0,0,0,0|1,0,0]=3 3316 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [1,1,0,0,0,0|2,0,0]=4 3317 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [1,1,0,0,0,0|2,0,0]=4 3318 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [1,1,0,0,0,0|2,0,0]=4 3319 B10R1.30 CNc1cc(cnc1F)C 27a_100102657272_100009820679 [1,1,0,0,0,0|2,0,0]=4 3320 B10R1.30 CNc1cc(ncc1F)C 27a_100102657272_100009867690 [1,1,0,0,0,0|2,0,0]=4 3321 B10R1.30 COc1cc(ccc1Br)Br 34a_100011220040_200000210301 [1,1,0,0,0,0|2,0,0]=4 3322 B10R1.30 COc1cc(ccc1Br)Br 7a_100011220040_200000210301 [1,1,0,0,0,0|2,0,0]=4 3323 B10R1.30 COc1cc(ccc1Br)C 34a_100012002257_200000210301 [1,1,0,0,0,0|1,0,0]=3 3324 B10R1.30 COc1cc(ccc1Br)C 7a_100012002257_200000210301 [1,1,0,0,0,0|1,0,0]=3 3325 B10R1.30 COc1cc(ccc1Br)Cl 34a_100012339455_200000210301 [1,1,0,0,0,0|2,0,0]=4 3326 B10R1.30 COc1cc(ccc1Br)Cl 7a_100012339455_200000210301 [1,1,0,0,0,0|2,0,0]=4 3327 B10R1.30 COc1cc(ccc1Br)F 34a_100000690578_200000210301 [1,1,0,0,0,0|2,0,0]=4 3328 B10R1.30 COc1cc(ccc1Br)F 7a_100000690578_200000210301 [1,1,0,0,0,0|2,0,0]=4 3329 B10R1.30 COc1cc(ccc1Br)I 34a_100012356990_200000210301 [1,1,0,0,0,0|2,0,0]=4 3330 B10R1.30 COc1cc(ccc1Br)I 7a_100012356990_200000210301 [1,1,0,0,0,0|2,0,0]=4 3331 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [1,1,0,0,0,0|2,0,0]=4 3332 B10R1.30 COc1cc(ccc1C)Br 34a_100000685420_200000210301 [1,1,0,0,0,0|2,0,0]=4 3333 B10R1.30 COc1cc(ccc1C)Br 7a_100000685420_200000210301 [1,1,0,0,0,0|2,0,0]=4 3334 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [1,1,0,0,0,0|1,0,0]=3 3335 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [1,1,0,0,0,0|1,0,0]=3 3336 B10R1.30 COc1cc(ccc1C)Cl 34a_100000756515_200000210301 [1,1,0,0,0,0|2,0,0]=4 3337 B10R1.30 COc1cc(ccc1C)Cl 7a_100000756515_200000210301 [1,1,0,0,0,0|2,0,0]=4 3338 B10R1.30 COc1cc(ccc1C)F 34a_100000690566_200000210301 [1,1,0,0,0,0|2,0,0]=4 3339 B10R1.30 COc1cc(ccc1C)F 7a_100000690566_200000210301 [1,1,0,0,0,0|2,0,0]=4 3340 B10R1.30 COc1cc(ccc1C)I 7a_100000766334_200000210301 [1,1,0,0,0,0|2,0,0]=4 3341 B10R1.30 COc1cc(ccc1C)N 34a_100000759471_200000210301 [1,1,0,0,0,0|2,0,0]=4 3342 B10R1.30 COc1cc(ccc1C)N 7a_100000759471_200000210301 [1,1,0,0,0,0|2,0,0]=4 3343 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [1,1,0,0,0,0|2,0,0]=4 3344 B10R1.30 COc1cc(ccc1Cl)Br 34a_100000738945_200000210301 [1,1,0,0,0,0|2,0,0]=4 3345 B10R1.30 COc1cc(ccc1Cl)Br 7a_100000738945_200000210301 [1,1,0,0,0,0|2,0,0]=4 3346 B10R1.30 COc1cc(ccc1Cl)C 34a_100000211493_200000210301 [1,1,0,0,0,0|1,0,0]=3 3347 B10R1.30 COc1cc(ccc1Cl)C 7a_100000211493_200000210301 [1,1,0,0,0,0|1,0,0]=3 3348 B10R1.30 COc1cc(ccc1Cl)Cl 34a_100000211422_200000210301 [1,1,0,0,0,0|2,0,0]=4 3349 B10R1.30 COc1cc(ccc1Cl)Cl 7a_100000211422_200000210301 [1,1,0,0,0,0|2,0,0]=4 3350 B10R1.30 COc1cc(ccc1Cl)F 34a_100000692107_200000210301 [1,1,0,0,0,0|2,0,0]=4 3351 B10R1.30 COc1cc(ccc1Cl)F 7a_100000692107_200000210301 [1,1,0,0,0,0|2,0,0]=4 3352 B10R1.30 COc1cc(ccc1Cl)I 34a_100011356854_200000210301 [1,1,0,0,0,0|2,0,0]=4 3353 B10R1.30 COc1cc(ccc1Cl)I 7a_100011356854_200000210301 [1,1,0,0,0,0|2,0,0]=4 3354 B10R1.30 COc1cc(ccc1Cl)N 34a_100011934209_200000210301 [1,1,0,0,0,0|2,0,0]=4 3355 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [1,1,0,0,0,0|2,0,0]=4 3356 B10R1.30 COc1cc(ccc1F)Br 34a_100000686035_200000210301 [1,1,0,0,0,0|2,0,0]=4 3357 B10R1.30 COc1cc(ccc1F)Br 7a_100000686035_200000210301 [1,1,0,0,0,0|2,0,0]=4 3358 B10R1.30 COc1cc(ccc1F)C 34a_100000759540_200000210301 [1,1,0,0,0,0|1,0,0]=3 3359 B10R1.30 COc1cc(ccc1F)C 7a_100000759540_200000210301 [1,1,0,0,0,0|1,0,0]=3 3360 B10R1.30 COc1cc(ccc1F)Cl 34a_100000757397_200000210301 [1,1,0,0,0,0|2,0,0]=4 3361 B10R1.30 COc1cc(ccc1F)Cl 7a_100000757397_200000210301 [1,1,0,0,0,0|2,0,0]=4 3362 B10R1.30 COc1cc(ccc1F)F 34a_100000752141_200000210301 [1,1,0,0,0,0|2,0,0]=4 3363 B10R1.30 COc1cc(ccc1F)F 7a_100000752141_200000210301 [1,1,0,0,0,0|2,0,0]=4 3364 B10R1.30 COc1cc(ccc1F)I 34a_100009958187_200000210301 [1,1,0,0,0,0|2,0,0]=4 3365 B10R1.30 COc1cc(ccc1F)I 7a_100009958187_200000210301 [1,1,0,0,0,0|2,0,0]=4 3366 B10R1.30 COc1cc(ccc1F)N 34a_100012017398_200000210301 [1,1,0,0,0,0|2,0,0]=4 3367 B10R1.30 COc1cc(ccc1F)N 7a_100012017398_200000210301 [1,1,0,0,0,0|2,0,0]=4 3368 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [1,1,0,0,0,0|2,0,0]=4 3369 B10R1.30 COc1cc(ccc1I)Br 34a_100012344904_200000210301 [1,1,0,0,0,0|2,0,0]=4 3370 B10R1.30 COc1cc(ccc1I)Br 7a_100012344904_200000210301 [1,1,0,0,0,0|2,0,0]=4 3371 B10R1.30 COc1cc(ccc1I)Cl 34a_100000050036_200000210301 [1,1,0,0,0,0|2,0,0]=4 3372 B10R1.30 COc1cc(ccc1I)Cl 7a_100000050036_200000210301 [1,1,0,0,0,0|2,0,0]=4 3373 B10R1.30 COc1cc(ccc1I)F 34a_100010084537_200000210301 [1,1,0,0,0,0|2,0,0]=4 3374 B10R1.30 COc1cc(ccc1I)F 7a_100010084537_200000210301 [1,1,0,0,0,0|2,0,0]=4 3375 B10R1.30 COc1cc(ccc1N)Br 34a_100000739049_200000210301 [1,1,0,0,0,0|2,0,0]=4 3376 B10R1.30 COc1cc(ccc1N)Br 7a_100000739049_200000210301 [1,1,0,0,0,0|2,0,0]=4 3377 B10R1.30 COc1cc(ccc1N)C 34a_100000211527_200000210301 [1,1,0,0,0,0|1,0,0]=3 3378 B10R1.30 COc1cc(ccc1N)C 7a_100000211527_200000210301 [1,1,0,0,0,0|1,0,0]=3 3379 B10R1.30 COc1cc(ccc1N)Cl 34a_100000185728_200000210301 [1,1,0,0,0,0|2,0,0]=4 3380 B10R1.30 COc1cc(ccc1N)Cl 7a_100000185728_200000210301 [1,1,0,0,0,0|2,0,0]=4 3381 B10R1.30 COc1cc(ccc1N)F 34a_100000753323_200000210301 [1,1,0,0,0,0|2,0,0]=4 3382 B10R1.30 COc1cc(ccc1N)F 7a_100000753323_200000210301 [1,1,0,0,0,0|2,0,0]=4 3383 B10R1.30 COc1cc(ccc1N)I 34a_100000057187_200000210301 [1,1,0,0,0,0|2,0,0]=4 3384 B10R1.30 COc1cc(ccc1N)I 7a_100000057187_200000210301 [1,1,0,0,0,0|2,0,0]=4 3385 B10R1.30 COc1cc(ccc1N)N 34a_100025717382_200000210301 [1,1,0,0,0,0|2,0,0]=4 3386 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [1,1,0,0,0,0|2,0,0]=4 3387 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [1,1,0,0,0,0|2,0,0]=4 3388 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [1,1,0,0,0,0|1,0,0]=3 3389 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [1,1,0,0,0,0|2,0,0]=4 3390 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [1,1,0,0,0,0|2,0,0]=4 3391 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [1,1,0,0,0,0|2,0,0]=4 3392 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [1,1,0,0,0,0|2,0,0]=4 3393 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [1,1,0,0,0,0|2,0,0]=4 3394 B10R1.30 COc1cc(cnc1Cl)C 34a_100012000487_200000210301 [1,1,0,0,0,0|2,0,0]=4 3395 B10R1.30 COc1cc(cnc1Cl)C 7a_100012000487_200000210301 [1,1,0,0,0,0|2,0,0]=4 3396 B10R1.30 COc1cc(cnc1F)C 34a_100009849810_200000210301 [1,1,0,0,0,0|2,0,0]=4 3397 B10R1.30 COc1cc(cnc1F)C 7a_100009849810_200000210301 [1,1,0,0,0,0|2,0,0]=4 3398 B10R1.30 COc1cc(cnc1O)C 271570a_203496583355_200000118316 [1,1,0,0,0,0|2,0,0]=4 3399 B10R1.30 COc1cc(ncc1Br)C 34a_100011016184_200000210301 [1,1,0,0,0,0|2,0,0]=4 3400 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [1,1,0,0,0,0|2,0,0]=4 3401 B10R1.30 COc1nc(ccc1Br)C 34a_100009817604_200000210301 [1,1,0,0,0,0|2,0,0]=4 3402 B10R1.30 COc1nc(ccc1N)C 34a_100000687486_200000210301 [1,1,0,0,0,0|2,0,0]=4 3403 B10R1.30 COc1nc(ccc1O)C 271570a_203496583355_100010138632 [1,1,0,0,0,0|2,0,0]=4 3404 B10R1.30 CSc1cc(ccc1Br)Br 62a_100011483371_200000210301 [1,1,0,0,0,0|2,0,0]=4 3405 B10R1.30 CSc1cc(ccc1Br)Br 62a_200000210301_100011483371 [1,1,0,0,0,0|2,0,0]=4 3406 B10R1.30 CSc1cc(ccc1Br)C 62a_100012353751_200000210301 [1,1,0,0,0,0|1,0,0]=3 3407 B10R1.30 CSc1cc(ccc1Br)C 62a_200000210301_100012353751 [1,1,0,0,0,0|1,0,0]=3 3408 B10R1.30 CSc1cc(ccc1Br)Cl 62a_100012339723_200000210301 [1,1,0,0,0,0|2,0,0]=4 3409 B10R1.30 CSc1cc(ccc1Br)Cl 62a_200000210301_100012339723 [1,1,0,0,0,0|2,0,0]=4 3410 B10R1.30 CSc1cc(ccc1Br)F 62a_100011217576_200000210301 [1,1,0,0,0,0|2,0,0]=4 3411 B10R1.30 CSc1cc(ccc1Br)F 62a_200000210301_100011217576 [1,1,0,0,0,0|2,0,0]=4 3412 B10R1.30 CSc1cc(ccc1Br)N 62a_100000750459_200000210301 [1,1,0,0,0,0|2,0,0]=4 3413 B10R1.30 CSc1cc(ccc1Br)N 62a_200000210301_100000750459 [1,1,0,0,0,0|2,0,0]=4 3414 B10R1.30 CSc1cc(ccc1Br)O 62a_100012339312_200000210301 [1,1,0,0,0,0|2,0,0]=4 3415 B10R1.30 CSc1cc(ccc1Br)O 62a_200000210301_100012339312 [1,1,0,0,0,0|2,0,0]=4 3416 B10R1.30 CSc1cc(ccc1C)Br 62a_100011344865_200000210301 [1,1,0,0,0,0|2,0,0]=4 3417 B10R1.30 CSc1cc(ccc1C)Br 62a_200000210301_100011344865 [1,1,0,0,0,0|2,0,0]=4 3418 B10R1.30 CSc1cc(ccc1C)C 62a_100000210833_200000210301 [1,1,0,0,0,0|1,0,0]=3 3419 B10R1.30 CSc1cc(ccc1C)C 62a_200000210301_100000210833 [1,1,0,0,0,0|1,0,0]=3 3420 B10R1.30 CSc1cc(ccc1C)Cl 62a_100011263213_200000210301 [1,1,0,0,0,0|2,0,0]=4 3421 B10R1.30 CSc1cc(ccc1C)Cl 62a_200000210301_100011263213 [1,1,0,0,0,0|2,0,0]=4 3422 B10R1.30 CSc1cc(ccc1C)F 62a_100011218078_200000210301 [1,1,0,0,0,0|2,0,0]=4 3423 B10R1.30 CSc1cc(ccc1C)F 62a_200000210301_100011218078 [1,1,0,0,0,0|2,0,0]=4 3424 B10R1.30 CSc1cc(ccc1C)N 62a_100000736455_200000210301 [1,1,0,0,0,0|2,0,0]=4 3425 B10R1.30 CSc1cc(ccc1C)N 62a_200000210301_100000736455 [1,1,0,0,0,0|2,0,0]=4 3426 B10R1.30 CSc1cc(ccc1C)O 62a_100011380479_200000210301 [1,1,0,0,0,0|2,0,0]=4 3427 B10R1.30 CSc1cc(ccc1C)O 62a_200000210301_100011380479 [1,1,0,0,0,0|2,0,0]=4 3428 B10R1.30 CSc1cc(ccc1Cl)Br 62a_100011772130_200000210301 [1,1,0,0,0,0|2,0,0]=4 3429 B10R1.30 CSc1cc(ccc1Cl)Br 62a_200000210301_100011772130 [1,1,0,0,0,0|2,0,0]=4 3430 B10R1.30 CSc1cc(ccc1Cl)C 62a_100012356289_200000210301 [1,1,0,0,0,0|1,0,0]=3 3431 B10R1.30 CSc1cc(ccc1Cl)C 62a_200000210301_100012356289 [1,1,0,0,0,0|1,0,0]=3 3432 B10R1.30 CSc1cc(ccc1Cl)Cl 62a_100000707729_200000210301 [1,1,0,0,0,0|2,0,0]=4 3433 B10R1.30 CSc1cc(ccc1Cl)Cl 62a_200000210301_100000707729 [1,1,0,0,0,0|2,0,0]=4 3434 B10R1.30 CSc1cc(ccc1Cl)F 62a_100011217299_200000210301 [1,1,0,0,0,0|2,0,0]=4 3435 B10R1.30 CSc1cc(ccc1Cl)F 62a_200000210301_100011217299 [1,1,0,0,0,0|2,0,0]=4 3436 B10R1.30 CSc1cc(ccc1Cl)N 62a_100012360549_200000210301 [1,1,0,0,0,0|2,0,0]=4 3437 B10R1.30 CSc1cc(ccc1Cl)N 62a_200000210301_100012360549 [1,1,0,0,0,0|2,0,0]=4 3438 B10R1.30 CSc1cc(ccc1Cl)O 62a_100000049588_200000210301 [1,1,0,0,0,0|2,0,0]=4 3439 B10R1.30 CSc1cc(ccc1Cl)O 62a_200000210301_100000049588 [1,1,0,0,0,0|2,0,0]=4 3440 B10R1.30 CSc1cc(ccc1F)Br 62a_100011217312_200000210301 [1,1,0,0,0,0|2,0,0]=4 3441 B10R1.30 CSc1cc(ccc1F)Br 62a_200000210301_100011217312 [1,1,0,0,0,0|2,0,0]=4 3442 B10R1.30 CSc1cc(ccc1F)C 62a_100000736223_200000210301 [1,1,0,0,0,0|1,0,0]=3 3443 B10R1.30 CSc1cc(ccc1F)C 62a_200000210301_100000736223 [1,1,0,0,0,0|1,0,0]=3 3444 B10R1.30 CSc1cc(ccc1F)Cl 62a_100011218116_200000210301 [1,1,0,0,0,0|2,0,0]=4 3445 B10R1.30 CSc1cc(ccc1F)Cl 62a_200000210301_100011218116 [1,1,0,0,0,0|2,0,0]=4 3446 B10R1.30 CSc1cc(ccc1F)F 62a_100011219198_200000210301 [1,1,0,0,0,0|2,0,0]=4 3447 B10R1.30 CSc1cc(ccc1F)F 62a_200000210301_100011219198 [1,1,0,0,0,0|2,0,0]=4 3448 B10R1.30 CSc1cc(ccc1F)N 62a_100000760356_200000210301 [1,1,0,0,0,0|2,0,0]=4 3449 B10R1.30 CSc1cc(ccc1F)N 62a_200000210301_100000760356 [1,1,0,0,0,0|2,0,0]=4 3450 B10R1.30 CSc1cc(ccc1F)O 271570a_203496583355_100010341305 [1,1,0,0,0,0|2,0,0]=4 3451 B10R1.30 CSc1cc(ccc1F)O 62a_100000693481_200000210301 [1,1,0,0,0,0|2,0,0]=4 3452 B10R1.30 CSc1cc(ccc1F)O 62a_200000210301_100000693481 [1,1,0,0,0,0|2,0,0]=4 3453 B10R1.30 CSc1cc(ccc1N)Br 62a_100000187925_200000210301 [1,1,0,0,0,0|2,0,0]=4 3454 B10R1.30 CSc1cc(ccc1N)Br 62a_200000210301_100000187925 [1,1,0,0,0,0|2,0,0]=4 3455 B10R1.30 CSc1cc(ccc1N)C 62a_100011356834_200000210301 [1,1,0,0,0,0|1,0,0]=3 3456 B10R1.30 CSc1cc(ccc1N)C 62a_200000210301_100011356834 [1,1,0,0,0,0|1,0,0]=3 3457 B10R1.30 CSc1cc(ccc1N)Cl 62a_100000761889_200000210301 [1,1,0,0,0,0|2,0,0]=4 3458 B10R1.30 CSc1cc(ccc1N)Cl 62a_200000210301_100000761889 [1,1,0,0,0,0|2,0,0]=4 3459 B10R1.30 CSc1cc(ccc1N)F 62a_100000760547_200000210301 [1,1,0,0,0,0|2,0,0]=4 3460 B10R1.30 CSc1cc(ccc1N)F 62a_200000210301_100000760547 [1,1,0,0,0,0|2,0,0]=4 3461 B10R1.30 CSc1cc(ccc1N)N 62a_100011534242_200000210301 [1,1,0,0,0,0|2,0,0]=4 3462 B10R1.30 CSc1cc(ccc1N)N 62a_200000210301_100011534242 [1,1,0,0,0,0|2,0,0]=4 3463 B10R1.30 CSc1cc(ccc1N)O 62a_100012001276_200000210301 [1,1,0,0,0,0|2,0,0]=4 3464 B10R1.30 CSc1cc(ccc1N)O 62a_200000210301_100012001276 [1,1,0,0,0,0|2,0,0]=4 3465 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [1,1,0,0,0,0|2,0,0]=4 3466 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [1,1,0,0,0,0|2,0,0]=4 3467 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [1,1,0,0,0,0|1,0,0]=3 3468 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [1,1,0,0,0,0|1,0,0]=3 3469 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [1,1,0,0,0,0|1,0,0]=3 3470 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [1,1,0,0,0,0|2,0,0]=4 3471 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [1,1,0,0,0,0|2,0,0]=4 3472 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [1,1,0,0,0,0|2,0,0]=4 3473 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [1,1,0,0,0,0|2,0,0]=4 3474 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [1,1,0,0,0,0|2,0,0]=4 3475 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [1,1,0,0,0,0|2,0,0]=4 3476 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [1,1,0,0,0,0|2,0,0]=4 3477 B10R1.30 CSc1cc(cnc1C)C 62a_100009817436_200000210301 [1,1,0,0,0,0|2,0,0]=4 3478 B10R1.30 CSc1cc(cnc1C)C 62a_200000210301_100009817436 [1,1,0,0,0,0|2,0,0]=4 3479 B10R1.30 CSc1cc(cnc1Cl)C 62a_100010210167_200000210301 [1,1,0,0,0,0|2,0,0]=4 3480 B10R1.30 CSc1cc(cnc1Cl)C 62a_200000210301_100010210167 [1,1,0,0,0,0|2,0,0]=4 3481 B10R1.30 CSc1cc(cnc1F)C 62a_100000049784_200000210301 [1,1,0,0,0,0|2,0,0]=4 3482 B10R1.30 CSc1cc(cnc1F)C 62a_200000210301_100000049784 [1,1,0,0,0,0|2,0,0]=4 3483 B10R1.30 CSc1cc(cnc1N)C 62a_100000049664_200000210301 [1,1,0,0,0,0|2,0,0]=4 3484 B10R1.30 CSc1cc(cnc1N)C 62a_200000210301_100000049664 [1,1,0,0,0,0|2,0,0]=4 3485 B10R1.30 CSc1cc(cnc1O)C 271570a_203496583355_100010884634 [1,1,0,0,0,0|2,0,0]=4 3486 B10R1.30 CSc1cc(cnc1O)C 62a_100000719714_200000210301 [1,1,0,0,0,0|2,0,0]=4 3487 B10R1.30 CSc1cc(cnc1O)C 62a_200000210301_100000719714 [1,1,0,0,0,0|2,0,0]=4 3488 B10R1.30 CSc1cc(ncc1C)C 62a_100009862788_200000210301 [1,1,0,0,0,0|2,0,0]=4 3489 B10R1.30 CSc1cc(ncc1C)C 62a_200000210301_100009862788 [1,1,0,0,0,0|2,0,0]=4 3490 B10R1.30 CSc1cc(ncc1F)C 62a_100009867690_200000210301 [1,1,0,0,0,0|2,0,0]=4 3491 B10R1.30 CSc1cc(ncc1F)C 62a_200000210301_100009867690 [1,1,0,0,0,0|2,0,0]=4 3492 B10R1.30 CSc1cc(ncc1O)C 62a_100009843476_200000210301 [1,1,0,0,0,0|2,0,0]=4 3493 B10R1.30 CSc1cc(ncc1O)C 62a_200000210301_100009843476 [1,1,0,0,0,0|2,0,0]=4 3494 B10R1.30 CSc1cn(ccc1=O)C 62a_100010750718_200000210301 [1,1,0,0,0,0|2,0,0]=4 3495 B10R1.30 CSc1cn(ccc1=O)C 62a_200000210301_100010750718 [1,1,0,0,0,0|2,0,0]=4 3496 B10R1.30 CSc1nc(ccc1C)C 62a_100009854376_200000210301 [1,1,0,0,0,0|2,0,0]=4 3497 B10R1.30 CSc1nc(ccc1C)C 62a_200000210301_100009854376 [1,1,0,0,0,0|2,0,0]=4 3498 B10R1.30 CSc1nc(ccc1F)C 62a_100009817602_200000210301 [1,1,0,0,0,0|2,0,0]=4 3499 B10R1.30 CSc1nc(ccc1F)C 62a_200000210301_100009817602 [1,1,0,0,0,0|2,0,0]=4 3500 B10R1.30 CSc1nc(ccc1N)C 62a_100000685570_200000210301 [1,1,0,0,0,0|2,0,0]=4 3501 B10R1.30 CSc1nc(ccc1N)C 62a_200000210301_100000685570 [1,1,0,0,0,0|2,0,0]=4 3502 B10R1.30 CSc1nc(ccc1O)C 62a_100000702858_200000210301 [1,1,0,0,0,0|2,0,0]=4 3503 B10R1.30 CSc1nc(ccc1O)C 62a_200000210301_100000702858 [1,1,0,0,0,0|2,0,0]=4 3504 B10R1.30 Cc1cc(c(cn1)Br)O[13CH3] 34a_100011016184_200025704644 [1,1,0,0,0,0|2,0,0]=4 3505 B10R1.30 Cc1cc(c(cn1)C)S[13CH3] 62a_100009862788_200025704644 [1,1,0,0,0,0|2,0,0]=4 3506 B10R1.30 Cc1cc(c(cn1)C)S[13CH3] 62a_200025704644_100009862788 [1,1,0,0,0,0|2,0,0]=4 3507 B10R1.30 Cc1cc(c(cn1)F)S[13CH3] 62a_100009867690_200025704644 [1,1,0,0,0,0|2,0,0]=4 3508 B10R1.30 Cc1cc(c(cn1)F)S[13CH3] 62a_200025704644_100009867690 [1,1,0,0,0,0|2,0,0]=4 3509 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_100009843476_200025704644 [1,1,0,0,0,0|2,0,0]=4 3510 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_200025704644_100009843476 [1,1,0,0,0,0|2,0,0]=4 3511 B10R1.30 Cc1ccc(c(c1)C#N)O 271570a_203496583355_100011935190 [1,1,0,0,0,0|1,0,1]=4 3512 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [1,1,0,0,0,0|0,0,0]=2 3513 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [1,1,0,0,0,0|0,0,2]=4 3514 B10R1.30 Cc1ccc(c(c1)N[13CH3])Br 34a_100000745044_200025704644 [1,1,0,0,0,0|1,0,0]=3 3515 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 2230a_100000185781_200025704644 [1,1,0,0,0,0|1,0,0]=3 3516 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 34a_100000185781_200025704644 [1,1,0,0,0,0|1,0,0]=3 3517 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 7a_100000185781_200025704644 [1,1,0,0,0,0|1,0,0]=3 3518 B10R1.30 Cc1ccc(c(c1)N[13CH3])Cl 34a_100011215360_200025704644 [1,1,0,0,0,0|1,0,0]=3 3519 B10R1.30 Cc1ccc(c(c1)N[13CH3])F 34a_100000211285_200025704644 [1,1,0,0,0,0|1,0,0]=3 3520 B10R1.30 Cc1ccc(c(c1)N[13CH3])I 34a_100011216686_200025704644 [1,1,0,0,0,0|1,0,0]=3 3521 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [1,1,0,0,0,0|1,0,0]=3 3522 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 34a_100012002257_200025704644 [1,1,0,0,0,0|1,0,0]=3 3523 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 7a_100012002257_200025704644 [1,1,0,0,0,0|1,0,0]=3 3524 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [1,1,0,0,0,0|1,0,0]=3 3525 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [1,1,0,0,0,0|1,0,0]=3 3526 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 34a_100000211493_200025704644 [1,1,0,0,0,0|1,0,0]=3 3527 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 7a_100000211493_200025704644 [1,1,0,0,0,0|1,0,0]=3 3528 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 34a_100000759540_200025704644 [1,1,0,0,0,0|1,0,0]=3 3529 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 7a_100000759540_200025704644 [1,1,0,0,0,0|1,0,0]=3 3530 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 34a_100000211527_200025704644 [1,1,0,0,0,0|1,0,0]=3 3531 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 7a_100000211527_200025704644 [1,1,0,0,0,0|1,0,0]=3 3532 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_100012353751_200025704644 [1,1,0,0,0,0|1,0,0]=3 3533 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012353751 [1,1,0,0,0,0|1,0,0]=3 3534 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_100000210833_200025704644 [1,1,0,0,0,0|1,0,0]=3 3535 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000210833 [1,1,0,0,0,0|1,0,0]=3 3536 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_100012356289_200025704644 [1,1,0,0,0,0|1,0,0]=3 3537 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100012356289 [1,1,0,0,0,0|1,0,0]=3 3538 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_100000736223_200025704644 [1,1,0,0,0,0|1,0,0]=3 3539 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000736223 [1,1,0,0,0,0|1,0,0]=3 3540 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_100011356834_200025704644 [1,1,0,0,0,0|1,0,0]=3 3541 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_200025704644_100011356834 [1,1,0,0,0,0|1,0,0]=3 3542 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [1,1,0,0,0,0|1,0,0]=3 3543 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [1,1,0,0,0,0|1,0,0]=3 3544 B10R1.30 Cc1ccc(c(n1)C=O)O 271570a_203496583355_100010173661 [1,1,0,0,0,0|1,0,0]=3 3545 B10R1.30 Cc1ccc(c(n1)O[13CH3])Br 34a_100009817604_200025704644 [1,1,0,0,0,0|2,0,0]=4 3546 B10R1.30 Cc1ccc(c(n1)O[13CH3])N 34a_100000687486_200025704644 [1,1,0,0,0,0|2,0,0]=4 3547 B10R1.30 Cc1ccc(c(n1)S[13CH3])C 62a_100009854376_200025704644 [1,1,0,0,0,0|2,0,0]=4 3548 B10R1.30 Cc1ccc(c(n1)S[13CH3])C 62a_200025704644_100009854376 [1,1,0,0,0,0|2,0,0]=4 3549 B10R1.30 Cc1ccc(c(n1)S[13CH3])F 62a_100009817602_200025704644 [1,1,0,0,0,0|2,0,0]=4 3550 B10R1.30 Cc1ccc(c(n1)S[13CH3])F 62a_200025704644_100009817602 [1,1,0,0,0,0|2,0,0]=4 3551 B10R1.30 Cc1ccc(c(n1)S[13CH3])N 62a_100000685570_200025704644 [1,1,0,0,0,0|2,0,0]=4 3552 B10R1.30 Cc1ccc(c(n1)S[13CH3])N 62a_200025704644_100000685570 [1,1,0,0,0,0|2,0,0]=4 3553 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_100000702858_200025704644 [1,1,0,0,0,0|2,0,0]=4 3554 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_200025704644_100000702858 [1,1,0,0,0,0|2,0,0]=4 3555 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [1,1,0,0,0,0|1,0,0]=3 3556 B10R1.30 Cc1ccc(cc1N[13CH3])Br 34a_100000741167_200025704644 [1,1,0,0,0,0|2,0,0]=4 3557 B10R1.30 Cc1ccc(cc1N[13CH3])Br 7a_100000741167_200025704644 [1,1,0,0,0,0|2,0,0]=4 3558 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 34a_100000211374_200025704644 [1,1,0,0,0,0|2,0,0]=4 3559 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 7a_100000211374_200025704644 [1,1,0,0,0,0|2,0,0]=4 3560 B10R1.30 Cc1ccc(cc1N[13CH3])F 34a_100000211107_200025704644 [1,1,0,0,0,0|2,0,0]=4 3561 B10R1.30 Cc1ccc(cc1N[13CH3])F 7a_100000211107_200025704644 [1,1,0,0,0,0|2,0,0]=4 3562 B10R1.30 Cc1ccc(cc1N[13CH3])I 7a_100000761890_200025704644 [1,1,0,0,0,0|2,0,0]=4 3563 B10R1.30 Cc1ccc(cc1N[13CH3])O 34a_100011216113_200025704644 [1,1,0,0,0,0|2,0,0]=4 3564 B10R1.30 Cc1ccc(cc1O[13CH3])Br 34a_100000685420_200025704644 [1,1,0,0,0,0|2,0,0]=4 3565 B10R1.30 Cc1ccc(cc1O[13CH3])Br 7a_100000685420_200025704644 [1,1,0,0,0,0|2,0,0]=4 3566 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 34a_100000756515_200025704644 [1,1,0,0,0,0|2,0,0]=4 3567 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 7a_100000756515_200025704644 [1,1,0,0,0,0|2,0,0]=4 3568 B10R1.30 Cc1ccc(cc1O[13CH3])F 34a_100000690566_200025704644 [1,1,0,0,0,0|2,0,0]=4 3569 B10R1.30 Cc1ccc(cc1O[13CH3])F 7a_100000690566_200025704644 [1,1,0,0,0,0|2,0,0]=4 3570 B10R1.30 Cc1ccc(cc1O[13CH3])I 7a_100000766334_200025704644 [1,1,0,0,0,0|2,0,0]=4 3571 B10R1.30 Cc1ccc(cc1O[13CH3])N 34a_100000759471_200025704644 [1,1,0,0,0,0|2,0,0]=4 3572 B10R1.30 Cc1ccc(cc1O[13CH3])N 7a_100000759471_200025704644 [1,1,0,0,0,0|2,0,0]=4 3573 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_100011344865_200025704644 [1,1,0,0,0,0|2,0,0]=4 3574 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_200025704644_100011344865 [1,1,0,0,0,0|2,0,0]=4 3575 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_100011263213_200025704644 [1,1,0,0,0,0|2,0,0]=4 3576 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011263213 [1,1,0,0,0,0|2,0,0]=4 3577 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_100011218078_200025704644 [1,1,0,0,0,0|2,0,0]=4 3578 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_200025704644_100011218078 [1,1,0,0,0,0|2,0,0]=4 3579 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_100000736455_200025704644 [1,1,0,0,0,0|2,0,0]=4 3580 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_200025704644_100000736455 [1,1,0,0,0,0|2,0,0]=4 3581 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_100011380479_200025704644 [1,1,0,0,0,0|2,0,0]=4 3582 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_200025704644_100011380479 [1,1,0,0,0,0|2,0,0]=4 3583 B10R1.30 Cc1cnc(c(c1)C=O)O 271570a_203496583355_100000050350 [1,1,0,0,0,0|1,0,0]=3 3584 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 34a_100012000487_200025704644 [1,1,0,0,0,0|2,0,0]=4 3585 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 7a_100012000487_200025704644 [1,1,0,0,0,0|2,0,0]=4 3586 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 34a_100009849810_200025704644 [1,1,0,0,0,0|2,0,0]=4 3587 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 7a_100009849810_200025704644 [1,1,0,0,0,0|2,0,0]=4 3588 B10R1.30 Cc1cnc(c(c1)S[13CH3])C 62a_100009817436_200025704644 [1,1,0,0,0,0|2,0,0]=4 3589 B10R1.30 Cc1cnc(c(c1)S[13CH3])C 62a_200025704644_100009817436 [1,1,0,0,0,0|2,0,0]=4 3590 B10R1.30 Cc1cnc(c(c1)S[13CH3])Cl 62a_100010210167_200025704644 [1,1,0,0,0,0|2,0,0]=4 3591 B10R1.30 Cc1cnc(c(c1)S[13CH3])Cl 62a_200025704644_100010210167 [1,1,0,0,0,0|2,0,0]=4 3592 B10R1.30 Cc1cnc(c(c1)S[13CH3])F 62a_100000049784_200025704644 [1,1,0,0,0,0|2,0,0]=4 3593 B10R1.30 Cc1cnc(c(c1)S[13CH3])F 62a_200025704644_100000049784 [1,1,0,0,0,0|2,0,0]=4 3594 B10R1.30 Cc1cnc(c(c1)S[13CH3])N 62a_100000049664_200025704644 [1,1,0,0,0,0|2,0,0]=4 3595 B10R1.30 Cc1cnc(c(c1)S[13CH3])N 62a_200025704644_100000049664 [1,1,0,0,0,0|2,0,0]=4 3596 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_100000719714_200025704644 [1,1,0,0,0,0|2,0,0]=4 3597 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_200025704644_100000719714 [1,1,0,0,0,0|2,0,0]=4 3598 B10R1.30 Cn1ccc(=O)c(c1)S[13CH3] 62a_100010750718_200025704644 [1,1,0,0,0,0|2,0,0]=4 3599 B10R1.30 Cn1ccc(=O)c(c1)S[13CH3] 62a_200025704644_100010750718 [1,1,0,0,0,0|2,0,0]=4 3600 B10R1.30 Nc1ccc(cc1C=O)O 271570a_203496583355_100011935258 [1,1,0,0,0,0|1,0,0]=3 3601 B10R1.30 Nc1ncc(cc1C=O)O 271570a_203496583355_100009814808 [1,1,0,0,0,0|2,0,0]=4 3602 B10R1.30 O=Cc1cc(ccc1Br)O 271570a_203496583355_100010185652 [1,1,0,0,0,0|1,0,0]=3 3603 B10R1.30 O=Cc1cc(ccc1Cl)O 271570a_203496583355_100010254384 [1,1,0,0,0,0|1,0,0]=3 3604 B10R1.30 O=Cc1cc(ccc1F)O 271570a_203496583355_100000211465 [1,1,0,0,0,0|1,0,0]=3 3605 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [1,1,0,0,0,0|1,0,0]=3 3606 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [1,1,0,0,0,0|1,0,0]=3 3607 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [1,1,0,0,0,0|1,0,0]=3 3608 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [1,1,0,0,0,0|1,0,0]=3 3609 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [1,1,0,0,0,0|1,0,0]=3 3610 B10R1.30 O=Cc1cc(cnc1F)O 271570a_203496583355_100009814789 [1,1,0,0,0,0|2,0,0]=4 3611 B10R1.30 O=Cc1cc(cnc1O)F 271570a_203496583355_100000079965 [1,1,0,0,0,0|2,0,0]=4 3612 B10R1.30 O=Cc1cc(ncc1F)O 271570a_203496583355_100000707870 [1,1,0,0,0,0|2,0,0]=4 3613 B10R1.30 O=Cc1nc(ccc1F)O 271570a_203496583355_100009814804 [1,1,0,0,0,0|2,0,0]=4 3614 B10R1.30 [13CH3]Nc1cc(ccc1Br)Br 34a_100000737762_200025704644 [1,1,0,0,0,0|2,0,0]=4 3615 B10R1.30 [13CH3]Nc1cc(ccc1Br)Cl 34a_100000687073_200025704644 [1,1,0,0,0,0|2,0,0]=4 3616 B10R1.30 [13CH3]Nc1cc(ccc1Br)F 34a_100000687223_200025704644 [1,1,0,0,0,0|2,0,0]=4 3617 B10R1.30 [13CH3]Nc1cc(ccc1Br)O 34a_100011999798_200025704644 [1,1,0,0,0,0|2,0,0]=4 3618 B10R1.30 [13CH3]Nc1cc(ccc1Cl)Br 34a_100000750497_200025704644 [1,1,0,0,0,0|2,0,0]=4 3619 B10R1.30 [13CH3]Nc1cc(ccc1Cl)Cl 34a_100000184485_200025704644 [1,1,0,0,0,0|2,0,0]=4 3620 B10R1.30 [13CH3]Nc1cc(ccc1Cl)F 34a_100000751338_200025704644 [1,1,0,0,0,0|2,0,0]=4 3621 B10R1.30 [13CH3]Nc1cc(ccc1Cl)I 34a_200000761891_200025704644 [1,1,0,0,0,0|2,0,0]=4 3622 B10R1.30 [13CH3]Nc1cc(ccc1Cl)O 34a_100011934297_200025704644 [1,1,0,0,0,0|2,0,0]=4 3623 B10R1.30 [13CH3]Nc1cc(ccc1F)Br 34a_100000740924_200025704644 [1,1,0,0,0,0|2,0,0]=4 3624 B10R1.30 [13CH3]Nc1cc(ccc1F)Cl 34a_100000212115_200025704644 [1,1,0,0,0,0|2,0,0]=4 3625 B10R1.30 [13CH3]Nc1cc(ccc1F)F 34a_100000210742_200025704644 [1,1,0,0,0,0|2,0,0]=4 3626 B10R1.30 [13CH3]Nc1cc(ccc1F)I 34a_100011464823_200025704644 [1,1,0,0,0,0|2,0,0]=4 3627 B10R1.30 [13CH3]Nc1cc(ccc1F)O 34a_100012017239_200025704644 [1,1,0,0,0,0|2,0,0]=4 3628 B10R1.30 [13CH3]Nc1cc(ccc1I)Br 34a_100000743836_200025704644 [1,1,0,0,0,0|2,0,0]=4 3629 B10R1.30 [13CH3]Nc1cc(ccc1I)Cl 34a_100000761886_200025704644 [1,1,0,0,0,0|2,0,0]=4 3630 B10R1.30 [13CH3]Nc1cc(ccc1I)F 34a_100011218093_200025704644 [1,1,0,0,0,0|2,0,0]=4 3631 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [1,1,0,0,0,0|2,0,0]=4 3632 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [1,1,0,0,0,0|2,0,0]=4 3633 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [1,1,0,0,0,0|2,0,0]=4 3634 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 34a_100011220040_200025704644 [1,1,0,0,0,0|2,0,0]=4 3635 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 7a_100011220040_200025704644 [1,1,0,0,0,0|2,0,0]=4 3636 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 34a_100012339455_200025704644 [1,1,0,0,0,0|2,0,0]=4 3637 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 7a_100012339455_200025704644 [1,1,0,0,0,0|2,0,0]=4 3638 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 34a_100000690578_200025704644 [1,1,0,0,0,0|2,0,0]=4 3639 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 7a_100000690578_200025704644 [1,1,0,0,0,0|2,0,0]=4 3640 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 34a_100012356990_200025704644 [1,1,0,0,0,0|2,0,0]=4 3641 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 7a_100012356990_200025704644 [1,1,0,0,0,0|2,0,0]=4 3642 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 34a_100000738945_200025704644 [1,1,0,0,0,0|2,0,0]=4 3643 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 7a_100000738945_200025704644 [1,1,0,0,0,0|2,0,0]=4 3644 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 34a_100000211422_200025704644 [1,1,0,0,0,0|2,0,0]=4 3645 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 7a_100000211422_200025704644 [1,1,0,0,0,0|2,0,0]=4 3646 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 34a_100000692107_200025704644 [1,1,0,0,0,0|2,0,0]=4 3647 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 7a_100000692107_200025704644 [1,1,0,0,0,0|2,0,0]=4 3648 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 34a_100011356854_200025704644 [1,1,0,0,0,0|2,0,0]=4 3649 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 7a_100011356854_200025704644 [1,1,0,0,0,0|2,0,0]=4 3650 B10R1.30 [13CH3]Oc1cc(ccc1Cl)N 34a_100011934209_200025704644 [1,1,0,0,0,0|2,0,0]=4 3651 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 34a_100000686035_200025704644 [1,1,0,0,0,0|2,0,0]=4 3652 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 7a_100000686035_200025704644 [1,1,0,0,0,0|2,0,0]=4 3653 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 34a_100000757397_200025704644 [1,1,0,0,0,0|2,0,0]=4 3654 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 7a_100000757397_200025704644 [1,1,0,0,0,0|2,0,0]=4 3655 B10R1.30 [13CH3]Oc1cc(ccc1F)F 34a_100000752141_200025704644 [1,1,0,0,0,0|2,0,0]=4 3656 B10R1.30 [13CH3]Oc1cc(ccc1F)F 7a_100000752141_200025704644 [1,1,0,0,0,0|2,0,0]=4 3657 B10R1.30 [13CH3]Oc1cc(ccc1F)I 34a_100009958187_200025704644 [1,1,0,0,0,0|2,0,0]=4 3658 B10R1.30 [13CH3]Oc1cc(ccc1F)I 7a_100009958187_200025704644 [1,1,0,0,0,0|2,0,0]=4 3659 B10R1.30 [13CH3]Oc1cc(ccc1F)N 34a_100012017398_200025704644 [1,1,0,0,0,0|2,0,0]=4 3660 B10R1.30 [13CH3]Oc1cc(ccc1F)N 7a_100012017398_200025704644 [1,1,0,0,0,0|2,0,0]=4 3661 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 34a_100012344904_200025704644 [1,1,0,0,0,0|2,0,0]=4 3662 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 7a_100012344904_200025704644 [1,1,0,0,0,0|2,0,0]=4 3663 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 34a_100000050036_200025704644 [1,1,0,0,0,0|2,0,0]=4 3664 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 7a_100000050036_200025704644 [1,1,0,0,0,0|2,0,0]=4 3665 B10R1.30 [13CH3]Oc1cc(ccc1I)F 34a_100010084537_200025704644 [1,1,0,0,0,0|2,0,0]=4 3666 B10R1.30 [13CH3]Oc1cc(ccc1I)F 7a_100010084537_200025704644 [1,1,0,0,0,0|2,0,0]=4 3667 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 34a_100000739049_200025704644 [1,1,0,0,0,0|2,0,0]=4 3668 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 7a_100000739049_200025704644 [1,1,0,0,0,0|2,0,0]=4 3669 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 34a_100000185728_200025704644 [1,1,0,0,0,0|2,0,0]=4 3670 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 7a_100000185728_200025704644 [1,1,0,0,0,0|2,0,0]=4 3671 B10R1.30 [13CH3]Oc1cc(ccc1N)F 34a_100000753323_200025704644 [1,1,0,0,0,0|2,0,0]=4 3672 B10R1.30 [13CH3]Oc1cc(ccc1N)F 7a_100000753323_200025704644 [1,1,0,0,0,0|2,0,0]=4 3673 B10R1.30 [13CH3]Oc1cc(ccc1N)I 34a_100000057187_200025704644 [1,1,0,0,0,0|2,0,0]=4 3674 B10R1.30 [13CH3]Oc1cc(ccc1N)I 7a_100000057187_200025704644 [1,1,0,0,0,0|2,0,0]=4 3675 B10R1.30 [13CH3]Oc1cc(ccc1N)N 34a_100025717382_200025704644 [1,1,0,0,0,0|2,0,0]=4 3676 B10R1.30 [13CH3]Sc1cc(ccc1Br)Br 62a_100011483371_200025704644 [1,1,0,0,0,0|2,0,0]=4 3677 B10R1.30 [13CH3]Sc1cc(ccc1Br)Br 62a_200025704644_100011483371 [1,1,0,0,0,0|2,0,0]=4 3678 B10R1.30 [13CH3]Sc1cc(ccc1Br)Cl 62a_100012339723_200025704644 [1,1,0,0,0,0|2,0,0]=4 3679 B10R1.30 [13CH3]Sc1cc(ccc1Br)Cl 62a_200025704644_100012339723 [1,1,0,0,0,0|2,0,0]=4 3680 B10R1.30 [13CH3]Sc1cc(ccc1Br)F 62a_100011217576_200025704644 [1,1,0,0,0,0|2,0,0]=4 3681 B10R1.30 [13CH3]Sc1cc(ccc1Br)F 62a_200025704644_100011217576 [1,1,0,0,0,0|2,0,0]=4 3682 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_100000750459_200025704644 [1,1,0,0,0,0|2,0,0]=4 3683 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_200025704644_100000750459 [1,1,0,0,0,0|2,0,0]=4 3684 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_100012339312_200025704644 [1,1,0,0,0,0|2,0,0]=4 3685 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_200025704644_100012339312 [1,1,0,0,0,0|2,0,0]=4 3686 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Br 62a_100011772130_200025704644 [1,1,0,0,0,0|2,0,0]=4 3687 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Br 62a_200025704644_100011772130 [1,1,0,0,0,0|2,0,0]=4 3688 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Cl 62a_100000707729_200025704644 [1,1,0,0,0,0|2,0,0]=4 3689 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Cl 62a_200025704644_100000707729 [1,1,0,0,0,0|2,0,0]=4 3690 B10R1.30 [13CH3]Sc1cc(ccc1Cl)F 62a_100011217299_200025704644 [1,1,0,0,0,0|2,0,0]=4 3691 B10R1.30 [13CH3]Sc1cc(ccc1Cl)F 62a_200025704644_100011217299 [1,1,0,0,0,0|2,0,0]=4 3692 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_100012360549_200025704644 [1,1,0,0,0,0|2,0,0]=4 3693 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_200025704644_100012360549 [1,1,0,0,0,0|2,0,0]=4 3694 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_100000049588_200025704644 [1,1,0,0,0,0|2,0,0]=4 3695 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_200025704644_100000049588 [1,1,0,0,0,0|2,0,0]=4 3696 B10R1.30 [13CH3]Sc1cc(ccc1F)Br 62a_100011217312_200025704644 [1,1,0,0,0,0|2,0,0]=4 3697 B10R1.30 [13CH3]Sc1cc(ccc1F)Br 62a_200025704644_100011217312 [1,1,0,0,0,0|2,0,0]=4 3698 B10R1.30 [13CH3]Sc1cc(ccc1F)Cl 62a_100011218116_200025704644 [1,1,0,0,0,0|2,0,0]=4 3699 B10R1.30 [13CH3]Sc1cc(ccc1F)Cl 62a_200025704644_100011218116 [1,1,0,0,0,0|2,0,0]=4 3700 B10R1.30 [13CH3]Sc1cc(ccc1F)F 62a_100011219198_200025704644 [1,1,0,0,0,0|2,0,0]=4 3701 B10R1.30 [13CH3]Sc1cc(ccc1F)F 62a_200025704644_100011219198 [1,1,0,0,0,0|2,0,0]=4 3702 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_100000760356_200025704644 [1,1,0,0,0,0|2,0,0]=4 3703 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_200025704644_100000760356 [1,1,0,0,0,0|2,0,0]=4 3704 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_100000693481_200025704644 [1,1,0,0,0,0|2,0,0]=4 3705 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_200025704644_100000693481 [1,1,0,0,0,0|2,0,0]=4 3706 B10R1.30 [13CH3]Sc1cc(ccc1N)Br 62a_100000187925_200025704644 [1,1,0,0,0,0|2,0,0]=4 3707 B10R1.30 [13CH3]Sc1cc(ccc1N)Br 62a_200025704644_100000187925 [1,1,0,0,0,0|2,0,0]=4 3708 B10R1.30 [13CH3]Sc1cc(ccc1N)Cl 62a_100000761889_200025704644 [1,1,0,0,0,0|2,0,0]=4 3709 B10R1.30 [13CH3]Sc1cc(ccc1N)Cl 62a_200025704644_100000761889 [1,1,0,0,0,0|2,0,0]=4 3710 B10R1.30 [13CH3]Sc1cc(ccc1N)F 62a_100000760547_200025704644 [1,1,0,0,0,0|2,0,0]=4 3711 B10R1.30 [13CH3]Sc1cc(ccc1N)F 62a_200025704644_100000760547 [1,1,0,0,0,0|2,0,0]=4 3712 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_100011534242_200025704644 [1,1,0,0,0,0|2,0,0]=4 3713 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_200025704644_100011534242 [1,1,0,0,0,0|2,0,0]=4 3714 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_100012001276_200025704644 [1,1,0,0,0,0|2,0,0]=4 3715 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_200025704644_100012001276 [1,1,0,0,0,0|2,0,0]=4 3716 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [1,1,0,0,0,0|2,0,0]=4 3717 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [1,1,0,0,0,0|2,0,0]=4 3718 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [1,1,0,0,0,0|2,0,0]=4 3719 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [1,1,0,0,0,0|2,0,0]=4 3720 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [1,1,0,0,0,0|2,0,0]=4 3721 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [1,1,0,0,0,0|2,0,0]=4 3722 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [1,1,0,0,0,0|2,0,0]=4 3723 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [1,1,0,0,0,0|2,0,0]=4 3724 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [1,1,0,0,0,0|2,0,0]=4 3725 B10R1.172 C#Cc1cccc(c1)NC 2230a_100000735509_200000210301 [1,1,0,0,0,0|0,0,2]=4 3726 B10R1.172 C#Cc1cccc(c1)NC 34a_100000735509_200000210301 [1,1,0,0,0,0|0,0,2]=4 3727 B10R1.172 C#Cc1cccc(c1)N[13CH3] 2230a_100000735509_200025704644 [1,1,0,0,0,0|0,0,2]=4 3728 B10R1.172 C#Cc1cccc(c1)N[13CH3] 34a_100000735509_200025704644 [1,1,0,0,0,0|0,0,2]=4 3729 B10R1.172 C#Cc1cccc(c1)OC 34a_100011216014_200000210301 [1,1,0,0,0,0|0,0,2]=4 3730 B10R1.172 C#Cc1cccc(c1)OC 7a_100011216014_200000210301 [1,1,0,0,0,0|0,0,2]=4 3731 B10R1.172 C#Cc1cccc(c1)O[13CH3] 34a_100011216014_200025704644 [1,1,0,0,0,0|0,0,2]=4 3732 B10R1.172 C#Cc1cccc(c1)O[13CH3] 7a_100011216014_200025704644 [1,1,0,0,0,0|0,0,2]=4 3733 B10R1.172 C=Cc1cc(ccn1)C=O 271570a_100011290941_100011290808 [1,1,0,0,0,0|1,0,1]=4 3734 B10R1.172 C=Cc1cc(ccn1)CC 271570a_100011290941_100009817561 [1,1,0,0,0,0|1,0,1]=4 3735 B10R1.172 C=Cc1cc(ccn1)CO 271570a_100011290941_100009814636 [1,1,0,0,0,0|1,0,1]=4 3736 B10R1.172 C=Cc1cc(ccn1)NC 271570a_100011290941_100009869472 [1,1,0,0,0,0|1,0,1]=4 3737 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [1,1,0,0,0,0|1,0,1]=4 3738 B10R1.172 C=Cc1cc(ccn1)SC 271570a_100011290941_100010883326 [1,1,0,0,0,0|1,0,1]=4 3739 B10R1.172 C=Cc1cc(ccn1)SC 62a_100009845566_200000210301 [1,1,0,0,0,0|1,0,1]=4 3740 B10R1.172 C=Cc1cc(ccn1)SC 62a_200000210301_100009845566 [1,1,0,0,0,0|1,0,1]=4 3741 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_100009845566_200025704644 [1,1,0,0,0,0|1,0,1]=4 3742 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_200025704644_100009845566 [1,1,0,0,0,0|1,0,1]=4 3743 B10R1.172 C=Cc1cccc(c1)C#N 271570a_100011290941_100000189340 [1,1,0,0,0,0|0,0,2]=4 3744 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [1,1,0,0,0,0|0,0,1]=3 3745 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [1,1,0,0,0,0|0,0,1]=3 3746 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [1,1,0,0,0,0|0,0,1]=3 3747 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [1,1,0,0,0,0|0,0,1]=3 3748 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [1,1,0,0,0,0|0,0,1]=3 3749 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [1,1,0,0,0,0|0,0,1]=3 3750 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [1,1,0,0,0,0|0,0,1]=3 3751 B10R1.172 C=Cc1cccc(c1)NN 271570a_100011290941_100000217339 [1,1,0,0,0,0|1,0,1]=4 3752 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [1,1,0,0,0,0|0,0,1]=3 3753 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [1,1,0,0,0,0|0,0,1]=3 3754 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [1,1,0,0,0,0|0,0,1]=3 3755 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [1,1,0,0,0,0|0,0,1]=3 3756 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [1,1,0,0,0,0|0,0,1]=3 3757 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [1,1,0,0,0,0|0,0,1]=3 3758 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [1,1,0,0,0,0|0,0,1]=3 3759 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [1,1,0,0,0,0|0,0,1]=3 3760 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [1,1,0,0,0,0|0,0,1]=3 3761 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [1,1,0,0,0,0|0,0,1]=3 3762 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [1,1,0,0,0,0|0,0,1]=3 3763 B10R1.172 C=Cc1cccc(n1)C=O 271570a_100011290941_100000688028 [1,1,0,0,0,0|1,0,1]=4 3764 B10R1.172 C=Cc1cccc(n1)CC 271570a_100011290941_100009856026 [1,1,0,0,0,0|1,0,1]=4 3765 B10R1.172 C=Cc1cccc(n1)CN 271570a_100011290941_100016990191 [1,1,0,0,0,0|1,0,1]=4 3766 B10R1.172 C=Cc1cccc(n1)CO 271570a_100011290941_100000694195 [1,1,0,0,0,0|1,0,1]=4 3767 B10R1.172 C=Cc1cccc(n1)NC 271570a_100011290941_100000703281 [1,1,0,0,0,0|1,0,1]=4 3768 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [1,1,0,0,0,0|1,0,1]=4 3769 B10R1.172 C=Cc1cccc(n1)SC 271570a_100011290941_100011960944 [1,1,0,0,0,0|1,0,1]=4 3770 B10R1.172 C=Cc1ccnc(c1)C=O 271570a_100011290941_100011998288 [1,1,0,0,0,0|1,0,1]=4 3771 B10R1.172 C=Cc1ccnc(c1)CC 271570a_100011290941_100009820011 [1,1,0,0,0,0|1,0,1]=4 3772 B10R1.172 C=Cc1ccnc(c1)CN 271570a_100011290941_100000085674 [1,1,0,0,0,0|1,0,1]=4 3773 B10R1.172 C=Cc1ccnc(c1)CO 271570a_100011290941_100009819072 [1,1,0,0,0,0|1,0,1]=4 3774 B10R1.172 C=Cc1ccnc(c1)NC 271570a_100011290941_100009819592 [1,1,0,0,0,0|1,0,1]=4 3775 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [1,1,0,0,0,0|1,0,1]=4 3776 B10R1.172 C=Cc1cncc(c1)C=O 271570a_100011290941_100000687066 [1,1,0,0,0,0|1,0,1]=4 3777 B10R1.172 C=Cc1cncc(c1)CC 271570a_100011290941_200009819073 [1,1,0,0,0,0|1,0,1]=4 3778 B10R1.172 C=Cc1cncc(c1)CN 271570a_100011290941_100011249555 [1,1,0,0,0,0|1,0,1]=4 3779 B10R1.172 C=Cc1cncc(c1)CO 271570a_100011290941_100011259137 [1,1,0,0,0,0|1,0,1]=4 3780 B10R1.172 C=Cc1cncc(c1)NC 271570a_100011290941_100012184536 [1,1,0,0,0,0|1,0,1]=4 3781 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [1,1,0,0,0,0|1,0,1]=4 3782 B10R1.172 C=Cc1cncc(c1)SC 271570a_100011290941_100009816972 [1,1,0,0,0,0|1,0,1]=4 3783 B10R1.172 C=Cc1cncc(c1)SC 62a_200000210301_200012180632 [1,1,0,0,0,0|1,0,1]=4 3784 B10R1.172 C=Cc1cncc(c1)SC 62a_200012180632_200000210301 [1,1,0,0,0,0|1,0,1]=4 3785 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200012180632_200025704644 [1,1,0,0,0,0|1,0,1]=4 3786 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200025704644_200012180632 [1,1,0,0,0,0|1,0,1]=4 3787 B10R1.172 CC[n+]1cccc(c1)OC 34a_100000731997_200000210301 [1,1,0,0,0,0|1,0,1]=4 3788 B10R1.172 CC[n+]1cccc(c1)OC 7a_100000731997_200000210301 [1,1,0,0,0,0|1,0,1]=4 3789 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 34a_100000731997_200025704644 [1,1,0,0,0,0|1,0,1]=4 3790 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 7a_100000731997_200025704644 [1,1,0,0,0,0|1,0,1]=4 3791 B10R1.172 CCc1cc(ccn1)NC 27a_100102657272_100009820011 [1,1,0,0,0,0|1,0,1]=4 3792 B10R1.172 CCc1cc(ccn1)SC 62a_100009820011_200000210301 [1,1,0,0,0,0|1,0,1]=4 3793 B10R1.172 CCc1cc(ccn1)SC 62a_200000210301_100009820011 [1,1,0,0,0,0|1,0,1]=4 3794 B10R1.172 CCc1cc(ccn1)S[13CH3] 62a_100009820011_200025704644 [1,1,0,0,0,0|1,0,1]=4 3795 B10R1.172 CCc1cc(ccn1)S[13CH3] 62a_200025704644_100009820011 [1,1,0,0,0,0|1,0,1]=4 3796 B10R1.172 CCc1cccc(c1)NC 2230a_100000211250_200000210301 [1,1,0,0,0,0|0,0,1]=3 3797 B10R1.172 CCc1cccc(c1)NC 34a_100000211250_200000210301 [1,1,0,0,0,0|0,0,1]=3 3798 B10R1.172 CCc1cccc(c1)NC 7a_100000211250_200000210301 [1,1,0,0,0,0|0,0,1]=3 3799 B10R1.172 CCc1cccc(c1)N[13CH3] 2230a_100000211250_200025704644 [1,1,0,0,0,0|0,0,1]=3 3800 B10R1.172 CCc1cccc(c1)N[13CH3] 34a_100000211250_200025704644 [1,1,0,0,0,0|0,0,1]=3 3801 B10R1.172 CCc1cccc(c1)N[13CH3] 7a_100000211250_200025704644 [1,1,0,0,0,0|0,0,1]=3 3802 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [1,1,0,0,0,0|0,0,1]=3 3803 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [1,1,0,0,0,0|0,0,1]=3 3804 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [1,1,0,0,0,0|0,0,1]=3 3805 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [1,1,0,0,0,0|0,0,1]=3 3806 B10R1.172 CCc1cccc(c1)SC 62a_100011263222_200000210301 [1,1,0,0,0,0|0,0,1]=3 3807 B10R1.172 CCc1cccc(c1)SC 62a_200000210301_100011263222 [1,1,0,0,0,0|0,0,1]=3 3808 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_100011263222_200025704644 [1,1,0,0,0,0|0,0,1]=3 3809 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_200025704644_100011263222 [1,1,0,0,0,0|0,0,1]=3 3810 B10R1.172 CCc1cccc(n1)SC 62a_100009856026_200000210301 [1,1,0,0,0,0|1,0,1]=4 3811 B10R1.172 CCc1cccc(n1)SC 62a_200000210301_100009856026 [1,1,0,0,0,0|1,0,1]=4 3812 B10R1.172 CCc1cccc(n1)S[13CH3] 62a_100009856026_200025704644 [1,1,0,0,0,0|1,0,1]=4 3813 B10R1.172 CCc1cccc(n1)S[13CH3] 62a_200025704644_100009856026 [1,1,0,0,0,0|1,0,1]=4 3814 B10R1.172 CCc1ccnc(c1)NC 27a_100102657272_100009817561 [1,1,0,0,0,0|1,0,1]=4 3815 B10R1.172 CCc1ccnc(c1)SC 62a_100009817561_200000210301 [1,1,0,0,0,0|1,0,1]=4 3816 B10R1.172 CCc1ccnc(c1)SC 62a_200000210301_100009817561 [1,1,0,0,0,0|1,0,1]=4 3817 B10R1.172 CCc1ccnc(c1)S[13CH3] 62a_100009817561_200025704644 [1,1,0,0,0,0|1,0,1]=4 3818 B10R1.172 CCc1ccnc(c1)S[13CH3] 62a_200025704644_100009817561 [1,1,0,0,0,0|1,0,1]=4 3819 B10R1.172 CCc1cncc(c1)OC 34a_200009861530_200000210301 [1,1,0,0,0,0|1,0,1]=4 3820 B10R1.172 CCc1cncc(c1)OC 7a_200009861530_200000210301 [1,1,0,0,0,0|1,0,1]=4 3821 B10R1.172 CCc1cncc(c1)O[13CH3] 34a_200009861530_200025704644 [1,1,0,0,0,0|1,0,1]=4 3822 B10R1.172 CCc1cncc(c1)O[13CH3] 7a_200009861530_200025704644 [1,1,0,0,0,0|1,0,1]=4 3823 B10R1.172 CCc1cncc(c1)SC 62a_200000210301_200009819073 [1,1,0,0,0,0|1,0,1]=4 3824 B10R1.172 CCc1cncc(c1)SC 62a_200009819073_200000210301 [1,1,0,0,0,0|1,0,1]=4 3825 B10R1.172 CCc1cncc(c1)S[13CH3] 62a_200009819073_200025704644 [1,1,0,0,0,0|1,0,1]=4 3826 B10R1.172 CCc1cncc(c1)S[13CH3] 62a_200025704644_200009819073 [1,1,0,0,0,0|1,0,1]=4 3827 B10R1.172 CNc1cc(ccn1)SC 62a_100009819592_200000210301 [1,1,0,0,0,0|2,0,0]=4 3828 B10R1.172 CNc1cc(ccn1)SC 62a_200000210301_100009819592 [1,1,0,0,0,0|2,0,0]=4 3829 B10R1.172 CNc1cc(ccn1)S[13CH3] 62a_100009819592_200025704644 [1,1,0,0,0,0|2,0,0]=4 3830 B10R1.172 CNc1cc(ccn1)S[13CH3] 62a_200025704644_100009819592 [1,1,0,0,0,0|2,0,0]=4 3831 B10R1.172 CNc1cccc(c1)C#N 34a_100000210922_200000210301 [1,1,0,0,0,0|1,0,1]=4 3832 B10R1.172 CNc1cccc(c1)C#N 7a_100000210922_200000210301 [1,1,0,0,0,0|1,0,1]=4 3833 B10R1.172 CNc1cccc(c1)CF 2230a_100000126320_200000210301 [1,1,0,0,0,0|1,0,0]=3 3834 B10R1.172 CNc1cccc(c1)CF 34a_100000126320_200000210301 [1,1,0,0,0,0|1,0,0]=3 3835 B10R1.172 CNc1cccc(c1)CF 7a_100000126320_200000210301 [1,1,0,0,0,0|1,0,0]=3 3836 B10R1.172 CNc1cccc(c1)CO 2230a_100000211919_200000210301 [1,1,0,0,0,0|1,0,0]=3 3837 B10R1.172 CNc1cccc(c1)CO 34a_100000211919_200000210301 [1,1,0,0,0,0|1,0,0]=3 3838 B10R1.172 CNc1cccc(c1)OC 34a_100000210024_200000210301 [1,1,0,0,0,0|1,0,0]=3 3839 B10R1.172 CNc1cccc(c1)OC 34a_100000756613_200000210301 [1,1,0,0,0,0|1,0,0]=3 3840 B10R1.172 CNc1cccc(c1)OC 7a_100000756613_200000210301 [1,1,0,0,0,0|1,0,0]=3 3841 B10R1.172 CNc1cccc(c1)O[13CH3] 34a_100000756613_200025704644 [1,1,0,0,0,0|1,0,0]=3 3842 B10R1.172 CNc1cccc(c1)O[13CH3] 7a_100000756613_200025704644 [1,1,0,0,0,0|1,0,0]=3 3843 B10R1.172 CNc1cccc(c1)SC 2230a_100000210049_200000210301 [1,1,0,0,0,0|1,0,0]=3 3844 B10R1.172 CNc1cccc(c1)SC 34a_100000210049_200000210301 [1,1,0,0,0,0|1,0,0]=3 3845 B10R1.172 CNc1cccc(c1)SC 62a_100000219648_200000210301 [1,1,0,0,0,0|1,0,0]=3 3846 B10R1.172 CNc1cccc(c1)SC 62a_200000210301_100000219648 [1,1,0,0,0,0|1,0,0]=3 3847 B10R1.172 CNc1cccc(c1)S[13CH3] 62a_100000219648_200025704644 [1,1,0,0,0,0|1,0,0]=3 3848 B10R1.172 CNc1cccc(c1)S[13CH3] 62a_200025704644_100000219648 [1,1,0,0,0,0|1,0,0]=3 3849 B10R1.172 CNc1cccc(n1)SC 62a_100000703281_200000210301 [1,1,0,0,0,0|2,0,0]=4 3850 B10R1.172 CNc1cccc(n1)SC 62a_200000210301_100000703281 [1,1,0,0,0,0|2,0,0]=4 3851 B10R1.172 CNc1cccc(n1)S[13CH3] 62a_100000703281_200025704644 [1,1,0,0,0,0|2,0,0]=4 3852 B10R1.172 CNc1cccc(n1)S[13CH3] 62a_200025704644_100000703281 [1,1,0,0,0,0|2,0,0]=4 3853 B10R1.172 CNc1ccnc(c1)CO 27a_100102657272_100000748867 [1,1,0,0,0,0|2,0,0]=4 3854 B10R1.172 CNc1ccnc(c1)SC 62a_100009869472_200000210301 [1,1,0,0,0,0|2,0,0]=4 3855 B10R1.172 CNc1ccnc(c1)SC 62a_200000210301_100009869472 [1,1,0,0,0,0|2,0,0]=4 3856 B10R1.172 CNc1ccnc(c1)S[13CH3] 62a_100009869472_200025704644 [1,1,0,0,0,0|2,0,0]=4 3857 B10R1.172 CNc1ccnc(c1)S[13CH3] 62a_200025704644_100009869472 [1,1,0,0,0,0|2,0,0]=4 3858 B10R1.172 CNc1cncc(c1)SC 62a_100012184536_200000210301 [1,1,0,0,0,0|2,0,0]=4 3859 B10R1.172 CNc1cncc(c1)SC 62a_200000210301_100012184536 [1,1,0,0,0,0|2,0,0]=4 3860 B10R1.172 CNc1cncc(c1)S[13CH3] 62a_100012184536_200025704644 [1,1,0,0,0,0|2,0,0]=4 3861 B10R1.172 CNc1cncc(c1)S[13CH3] 62a_200025704644_100012184536 [1,1,0,0,0,0|2,0,0]=4 3862 B10R1.172 COc1cc(ccn1)CN 34a_100000748557_200000210301 [1,1,0,0,0,0|2,0,0]=4 3863 B10R1.172 COc1cc(ccn1)O[13CH3] 34a_100012181050_200025704644 [1,1,0,0,0,0|2,0,0]=4 3864 B10R1.172 COc1cc(ccn1)SC 62a_100000117307_200000210301 [1,1,0,0,0,0|2,0,0]=4 3865 B10R1.172 COc1cc(ccn1)SC 62a_200000210301_100000117307 [1,1,0,0,0,0|2,0,0]=4 3866 B10R1.172 COc1cc(ccn1)S[13CH3] 62a_100000117307_200025704644 [1,1,0,0,0,0|2,0,0]=4 3867 B10R1.172 COc1cc(ccn1)S[13CH3] 62a_200025704644_100000117307 [1,1,0,0,0,0|2,0,0]=4 3868 B10R1.172 COc1cccc(c1)C#N 34a_100000184713_200000210301 [1,1,0,0,0,0|1,0,1]=4 3869 B10R1.172 COc1cccc(c1)C#N 7a_100000184713_200000210301 [1,1,0,0,0,0|1,0,1]=4 3870 B10R1.172 COc1cccc(c1)CBr 34a_100011660834_200000210301 [1,1,0,0,0,0|1,0,0]=3 3871 B10R1.172 COc1cccc(c1)CBr 7a_100011660834_200000210301 [1,1,0,0,0,0|1,0,0]=3 3872 B10R1.172 COc1cccc(c1)CCl 34a_100000084143_200000210301 [1,1,0,0,0,0|1,0,0]=3 3873 B10R1.172 COc1cccc(c1)CCl 7a_100000084143_200000210301 [1,1,0,0,0,0|1,0,0]=3 3874 B10R1.172 COc1cccc(c1)CN 34a_100000743036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3875 B10R1.172 COc1cccc(c1)CO 34a_100011214949_200000210301 [1,1,0,0,0,0|1,0,0]=3 3876 B10R1.172 COc1cccc(c1)CO 7a_100011214949_200000210301 [1,1,0,0,0,0|1,0,0]=3 3877 B10R1.172 COc1cccc(c1)N[13CH3] 34a_100000210024_200025704644 [1,1,0,0,0,0|1,0,0]=3 3878 B10R1.172 COc1cccc(c1)OC 34a_100000211255_200000210301 [1,1,0,0,0,0|1,0,0]=3 3879 B10R1.172 COc1cccc(c1)OC 7a_100000211255_200000210301 [1,1,0,0,0,0|1,0,0]=3 3880 B10R1.172 COc1cccc(c1)O[13CH3] 34a_100000211255_200025704644 [1,1,0,0,0,0|1,0,0]=3 3881 B10R1.172 COc1cccc(c1)O[13CH3] 7a_100000211255_200025704644 [1,1,0,0,0,0|1,0,0]=3 3882 B10R1.172 COc1cccc(c1)SC 34a_100011265683_200000210301 [1,1,0,0,0,0|1,0,0]=3 3883 B10R1.172 COc1cccc(c1)SC 62a_200000210301_100000170001 [1,1,0,0,0,0|1,0,0]=3 3884 B10R1.172 COc1cccc(c1)SC 7a_100011265683_200000210301 [1,1,0,0,0,0|1,0,0]=3 3885 B10R1.172 COc1cccc(c1)S[13CH3] 62a_200025704644_100000170001 [1,1,0,0,0,0|1,0,0]=3 3886 B10R1.172 COc1cccc(n1)SC 62a_100000760917_200000210301 [1,1,0,0,0,0|2,0,0]=4 3887 B10R1.172 COc1cccc(n1)SC 62a_200000210301_100000760917 [1,1,0,0,0,0|2,0,0]=4 3888 B10R1.172 COc1cccc(n1)S[13CH3] 62a_100000760917_200025704644 [1,1,0,0,0,0|2,0,0]=4 3889 B10R1.172 COc1cccc(n1)S[13CH3] 62a_200025704644_100000760917 [1,1,0,0,0,0|2,0,0]=4 3890 B10R1.172 COc1ccnc(c1)OC 34a_100012181050_200000210301 [1,1,0,0,0,0|2,0,0]=4 3891 B10R1.172 COc1ccnc(c1)SC 62a_100009817693_200000210301 [1,1,0,0,0,0|2,0,0]=4 3892 B10R1.172 COc1ccnc(c1)SC 62a_200000210301_100011216251 [1,1,0,0,0,0|2,0,0]=4 3893 B10R1.172 COc1ccnc(c1)S[13CH3] 62a_100009817693_200025704644 [1,1,0,0,0,0|2,0,0]=4 3894 B10R1.172 COc1ccnc(c1)S[13CH3] 62a_200025704644_100011216251 [1,1,0,0,0,0|2,0,0]=4 3895 B10R1.172 COc1cncc(c1)OC 34a_100000084572_200000210301 [1,1,0,0,0,0|2,0,0]=4 3896 B10R1.172 COc1cncc(c1)OC 7a_100000084572_200000210301 [1,1,0,0,0,0|2,0,0]=4 3897 B10R1.172 COc1cncc(c1)O[13CH3] 34a_100000084572_200025704644 [1,1,0,0,0,0|2,0,0]=4 3898 B10R1.172 COc1cncc(c1)O[13CH3] 7a_100000084572_200025704644 [1,1,0,0,0,0|2,0,0]=4 3899 B10R1.172 COc1cncc(c1)SC 62a_100000050176_200000210301 [1,1,0,0,0,0|2,0,0]=4 3900 B10R1.172 COc1cncc(c1)SC 62a_200000210301_100000050176 [1,1,0,0,0,0|2,0,0]=4 3901 B10R1.172 COc1cncc(c1)S[13CH3] 62a_100000050176_200025704644 [1,1,0,0,0,0|2,0,0]=4 3902 B10R1.172 COc1cncc(c1)S[13CH3] 62a_200025704644_100000050176 [1,1,0,0,0,0|2,0,0]=4 3903 B10R1.172 CSc1cc(ccn1)C=O 62a_100011290808_200000210301 [1,1,0,0,0,0|1,0,0]=3 3904 B10R1.172 CSc1cc(ccn1)C=O 62a_200000210301_100011290808 [1,1,0,0,0,0|1,0,0]=3 3905 B10R1.172 CSc1cc(ccn1)CN 62a_100025757509_200000210301 [1,1,0,0,0,0|2,0,0]=4 3906 B10R1.172 CSc1cc(ccn1)CN 62a_200000210301_100025757509 [1,1,0,0,0,0|2,0,0]=4 3907 B10R1.172 CSc1cc(ccn1)CO 62a_100009814636_200000210301 [1,1,0,0,0,0|2,0,0]=4 3908 B10R1.172 CSc1cc(ccn1)CO 62a_200000210301_100009814636 [1,1,0,0,0,0|2,0,0]=4 3909 B10R1.172 CSc1cccc(c1)C#N 62a_200000210301_100000189340 [1,1,0,0,0,0|1,0,1]=4 3910 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [1,1,0,0,0,0|0,0,0]=2 3911 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [1,1,0,0,0,0|0,0,0]=2 3912 B10R1.172 CSc1cccc(c1)CF 62a_100010878472_200000210301 [1,1,0,0,0,0|1,0,0]=3 3913 B10R1.172 CSc1cccc(c1)CF 62a_200000210301_100010878472 [1,1,0,0,0,0|1,0,0]=3 3914 B10R1.172 CSc1cccc(c1)CN 62a_100000106179_200000210301 [1,1,0,0,0,0|1,0,0]=3 3915 B10R1.172 CSc1cccc(c1)CN 62a_200000210301_100000106179 [1,1,0,0,0,0|1,0,0]=3 3916 B10R1.172 CSc1cccc(c1)CO 62a_100000687537_200000210301 [1,1,0,0,0,0|1,0,0]=3 3917 B10R1.172 CSc1cccc(c1)CO 62a_200000210301_100000687537 [1,1,0,0,0,0|1,0,0]=3 3918 B10R1.172 CSc1cccc(c1)NN 62a_100000217339_200000210301 [1,1,0,0,0,0|2,0,0]=4 3919 B10R1.172 CSc1cccc(c1)NN 62a_200000210301_100000217339 [1,1,0,0,0,0|2,0,0]=4 3920 B10R1.172 CSc1cccc(c1)N[13CH3] 2230a_100000210049_200025704644 [1,1,0,0,0,0|1,0,0]=3 3921 B10R1.172 CSc1cccc(c1)N[13CH3] 34a_100000210049_200025704644 [1,1,0,0,0,0|1,0,0]=3 3922 B10R1.172 CSc1cccc(c1)O[13CH3] 34a_100011265683_200025704644 [1,1,0,0,0,0|1,0,0]=3 3923 B10R1.172 CSc1cccc(c1)O[13CH3] 7a_100011265683_200025704644 [1,1,0,0,0,0|1,0,0]=3 3924 B10R1.172 CSc1cccc(c1)SC 62a_100011215954_200000210301 [1,1,0,0,0,0|1,0,0]=3 3925 B10R1.172 CSc1cccc(c1)SC 62a_200000210301_100011215954 [1,1,0,0,0,0|1,0,0]=3 3926 B10R1.172 CSc1cccc(c1)S[13CH3] 62a_100011215954_200025704644 [1,1,0,0,0,0|1,0,0]=3 3927 B10R1.172 CSc1cccc(c1)S[13CH3] 62a_200025704644_100011215954 [1,1,0,0,0,0|1,0,0]=3 3928 B10R1.172 CSc1cccc(n1)C=O 62a_100000688028_200000210301 [1,1,0,0,0,0|1,0,0]=3 3929 B10R1.172 CSc1cccc(n1)C=O 62a_200000210301_100000688028 [1,1,0,0,0,0|1,0,0]=3 3930 B10R1.172 CSc1cccc(n1)CN 62a_100016990191_200000210301 [1,1,0,0,0,0|2,0,0]=4 3931 B10R1.172 CSc1cccc(n1)CN 62a_200000210301_100016990191 [1,1,0,0,0,0|2,0,0]=4 3932 B10R1.172 CSc1cccc(n1)CO 62a_100000694195_200000210301 [1,1,0,0,0,0|2,0,0]=4 3933 B10R1.172 CSc1cccc(n1)CO 62a_200000210301_100000694195 [1,1,0,0,0,0|2,0,0]=4 3934 B10R1.172 CSc1cccc(n1)SC 62a_100011960944_200000210301 [1,1,0,0,0,0|2,0,0]=4 3935 B10R1.172 CSc1cccc(n1)SC 62a_200000210301_100011960944 [1,1,0,0,0,0|2,0,0]=4 3936 B10R1.172 CSc1cccc(n1)S[13CH3] 62a_100011960944_200025704644 [1,1,0,0,0,0|2,0,0]=4 3937 B10R1.172 CSc1cccc(n1)S[13CH3] 62a_200025704644_100011960944 [1,1,0,0,0,0|2,0,0]=4 3938 B10R1.172 CSc1ccnc(c1)C=O 62a_100011998288_200000210301 [1,1,0,0,0,0|1,0,0]=3 3939 B10R1.172 CSc1ccnc(c1)C=O 62a_200000210301_100011998288 [1,1,0,0,0,0|1,0,0]=3 3940 B10R1.172 CSc1ccnc(c1)CN 62a_100000085674_200000210301 [1,1,0,0,0,0|2,0,0]=4 3941 B10R1.172 CSc1ccnc(c1)CN 62a_200000210301_100000085674 [1,1,0,0,0,0|2,0,0]=4 3942 B10R1.172 CSc1ccnc(c1)CO 62a_100000748867_200000210301 [1,1,0,0,0,0|2,0,0]=4 3943 B10R1.172 CSc1ccnc(c1)CO 62a_200000210301_100000748867 [1,1,0,0,0,0|2,0,0]=4 3944 B10R1.172 CSc1ccnc(c1)SC 62a_100010883326_200000210301 [1,1,0,0,0,0|2,0,0]=4 3945 B10R1.172 CSc1ccnc(c1)SC 62a_200000210301_100010883326 [1,1,0,0,0,0|2,0,0]=4 3946 B10R1.172 CSc1ccnc(c1)S[13CH3] 62a_100010883326_200025704644 [1,1,0,0,0,0|2,0,0]=4 3947 B10R1.172 CSc1ccnc(c1)S[13CH3] 62a_200025704644_100010883326 [1,1,0,0,0,0|2,0,0]=4 3948 B10R1.172 CSc1cncc(c1)C=O 62a_100000687066_200000210301 [1,1,0,0,0,0|1,0,0]=3 3949 B10R1.172 CSc1cncc(c1)C=O 62a_200000210301_100000687066 [1,1,0,0,0,0|1,0,0]=3 3950 B10R1.172 CSc1cncc(c1)CN 62a_100011249555_200000210301 [1,1,0,0,0,0|2,0,0]=4 3951 B10R1.172 CSc1cncc(c1)CN 62a_200000210301_100011249555 [1,1,0,0,0,0|2,0,0]=4 3952 B10R1.172 CSc1cncc(c1)CO 62a_100011259137_200000210301 [1,1,0,0,0,0|2,0,0]=4 3953 B10R1.172 CSc1cncc(c1)CO 62a_200000210301_100011259137 [1,1,0,0,0,0|2,0,0]=4 3954 B10R1.172 CSc1cncc(c1)SC 62a_100009816972_200000210301 [1,1,0,0,0,0|2,0,0]=4 3955 B10R1.172 CSc1cncc(c1)SC 62a_200000210301_100009816972 [1,1,0,0,0,0|2,0,0]=4 3956 B10R1.172 CSc1cncc(c1)S[13CH3] 62a_100009816972_200025704644 [1,1,0,0,0,0|2,0,0]=4 3957 B10R1.172 CSc1cncc(c1)S[13CH3] 62a_200025704644_100009816972 [1,1,0,0,0,0|2,0,0]=4 3958 B10R1.172 [13CH3]Nc1cccc(c1)C#N 34a_100000210922_200025704644 [1,1,0,0,0,0|1,0,1]=4 3959 B10R1.172 [13CH3]Nc1cccc(c1)C#N 7a_100000210922_200025704644 [1,1,0,0,0,0|1,0,1]=4 3960 B10R1.172 [13CH3]Nc1cccc(c1)CF 2230a_100000126320_200025704644 [1,1,0,0,0,0|1,0,0]=3 3961 B10R1.172 [13CH3]Nc1cccc(c1)CF 34a_100000126320_200025704644 [1,1,0,0,0,0|1,0,0]=3 3962 B10R1.172 [13CH3]Nc1cccc(c1)CF 7a_100000126320_200025704644 [1,1,0,0,0,0|1,0,0]=3 3963 B10R1.172 [13CH3]Nc1cccc(c1)CO 2230a_100000211919_200025704644 [1,1,0,0,0,0|1,0,0]=3 3964 B10R1.172 [13CH3]Nc1cccc(c1)CO 34a_100000211919_200025704644 [1,1,0,0,0,0|1,0,0]=3 3965 B10R1.172 [13CH3]Oc1cc(ccn1)CN 34a_100000748557_200025704644 [1,1,0,0,0,0|2,0,0]=4 3966 B10R1.172 [13CH3]Oc1cccc(c1)C#N 34a_100000184713_200025704644 [1,1,0,0,0,0|1,0,1]=4 3967 B10R1.172 [13CH3]Oc1cccc(c1)C#N 7a_100000184713_200025704644 [1,1,0,0,0,0|1,0,1]=4 3968 B10R1.172 [13CH3]Oc1cccc(c1)CBr 34a_100011660834_200025704644 [1,1,0,0,0,0|1,0,0]=3 3969 B10R1.172 [13CH3]Oc1cccc(c1)CBr 7a_100011660834_200025704644 [1,1,0,0,0,0|1,0,0]=3 3970 B10R1.172 [13CH3]Oc1cccc(c1)CCl 34a_100000084143_200025704644 [1,1,0,0,0,0|1,0,0]=3 3971 B10R1.172 [13CH3]Oc1cccc(c1)CCl 7a_100000084143_200025704644 [1,1,0,0,0,0|1,0,0]=3 3972 B10R1.172 [13CH3]Oc1cccc(c1)CN 34a_100000743036_200025704644 [1,1,0,0,0,0|1,0,0]=3 3973 B10R1.172 [13CH3]Oc1cccc(c1)CO 34a_100011214949_200025704644 [1,1,0,0,0,0|1,0,0]=3 3974 B10R1.172 [13CH3]Oc1cccc(c1)CO 7a_100011214949_200025704644 [1,1,0,0,0,0|1,0,0]=3 3975 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_100011290808_200025704644 [1,1,0,0,0,0|1,0,0]=3 3976 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_200025704644_100011290808 [1,1,0,0,0,0|1,0,0]=3 3977 B10R1.172 [13CH3]Sc1cc(ccn1)CN 62a_100025757509_200025704644 [1,1,0,0,0,0|2,0,0]=4 3978 B10R1.172 [13CH3]Sc1cc(ccn1)CN 62a_200025704644_100025757509 [1,1,0,0,0,0|2,0,0]=4 3979 B10R1.172 [13CH3]Sc1cc(ccn1)CO 62a_100009814636_200025704644 [1,1,0,0,0,0|2,0,0]=4 3980 B10R1.172 [13CH3]Sc1cc(ccn1)CO 62a_200025704644_100009814636 [1,1,0,0,0,0|2,0,0]=4 3981 B10R1.172 [13CH3]Sc1cccc(c1)C#N 62a_200025704644_100000189340 [1,1,0,0,0,0|1,0,1]=4 3982 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [1,1,0,0,0,0|0,0,0]=2 3983 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [1,1,0,0,0,0|0,0,0]=2 3984 B10R1.172 [13CH3]Sc1cccc(c1)CF 62a_100010878472_200025704644 [1,1,0,0,0,0|1,0,0]=3 3985 B10R1.172 [13CH3]Sc1cccc(c1)CF 62a_200025704644_100010878472 [1,1,0,0,0,0|1,0,0]=3 3986 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_100000106179_200025704644 [1,1,0,0,0,0|1,0,0]=3 3987 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_200025704644_100000106179 [1,1,0,0,0,0|1,0,0]=3 3988 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_100000687537_200025704644 [1,1,0,0,0,0|1,0,0]=3 3989 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_200025704644_100000687537 [1,1,0,0,0,0|1,0,0]=3 3990 B10R1.172 [13CH3]Sc1cccc(c1)NN 62a_100000217339_200025704644 [1,1,0,0,0,0|2,0,0]=4 3991 B10R1.172 [13CH3]Sc1cccc(c1)NN 62a_200025704644_100000217339 [1,1,0,0,0,0|2,0,0]=4 3992 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_100000688028_200025704644 [1,1,0,0,0,0|1,0,0]=3 3993 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_200025704644_100000688028 [1,1,0,0,0,0|1,0,0]=3 3994 B10R1.172 [13CH3]Sc1cccc(n1)CN 62a_100016990191_200025704644 [1,1,0,0,0,0|2,0,0]=4 3995 B10R1.172 [13CH3]Sc1cccc(n1)CN 62a_200025704644_100016990191 [1,1,0,0,0,0|2,0,0]=4 3996 B10R1.172 [13CH3]Sc1cccc(n1)CO 62a_100000694195_200025704644 [1,1,0,0,0,0|2,0,0]=4 3997 B10R1.172 [13CH3]Sc1cccc(n1)CO 62a_200025704644_100000694195 [1,1,0,0,0,0|2,0,0]=4 3998 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_100011998288_200025704644 [1,1,0,0,0,0|1,0,0]=3 3999 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_200025704644_100011998288 [1,1,0,0,0,0|1,0,0]=3 4000 B10R1.172 [13CH3]Sc1ccnc(c1)CN 62a_100000085674_200025704644 [1,1,0,0,0,0|2,0,0]=4 4001 B10R1.172 [13CH3]Sc1ccnc(c1)CN 62a_200025704644_100000085674 [1,1,0,0,0,0|2,0,0]=4 4002 B10R1.172 [13CH3]Sc1ccnc(c1)CO 62a_100000748867_200025704644 [1,1,0,0,0,0|2,0,0]=4 4003 B10R1.172 [13CH3]Sc1ccnc(c1)CO 62a_200025704644_100000748867 [1,1,0,0,0,0|2,0,0]=4 4004 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_100000687066_200025704644 [1,1,0,0,0,0|1,0,0]=3 4005 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_200025704644_100000687066 [1,1,0,0,0,0|1,0,0]=3 4006 B10R1.172 [13CH3]Sc1cncc(c1)CN 62a_100011249555_200025704644 [1,1,0,0,0,0|2,0,0]=4 4007 B10R1.172 [13CH3]Sc1cncc(c1)CN 62a_200025704644_100011249555 [1,1,0,0,0,0|2,0,0]=4 4008 B10R1.172 [13CH3]Sc1cncc(c1)CO 62a_100011259137_200025704644 [1,1,0,0,0,0|2,0,0]=4 4009 B10R1.172 [13CH3]Sc1cncc(c1)CO 62a_200025704644_100011259137 [1,1,0,0,0,0|2,0,0]=4 4010 B10R1.176 C=Cc1cc(c(cn1)Br)C 271570a_100011290941_100012356354 [1,1,0,0,0,0|1,0,1]=4 4011 B10R1.176 C=Cc1cc(c(cn1)C)C 271570a_100011290941_100009850809 [1,1,0,0,0,0|1,0,1]=4 4012 B10R1.176 C=Cc1cc(c(cn1)F)C 271570a_100011290941_100009818257 [1,1,0,0,0,0|1,0,1]=4 4013 B10R1.176 C=Cc1cc(c(cn1)N)C 271570a_100011290941_100000765520 [1,1,0,0,0,0|1,0,1]=4 4014 B10R1.176 C=Cc1cc(c(cn1)O)C 271570a_100011290941_100000692680 [1,1,0,0,0,0|1,0,1]=4 4015 B10R1.176 C=Cc1ccc(=O)n(c1)C 271570a_100011290941_100011245003 [1,1,0,0,0,0|1,0,1]=4 4016 B10R1.176 C=Cc1ccc(c(c1)Br)Br 271570a_100011290941_100012356285 [1,1,0,0,0,0|1,0,1]=4 4017 B10R1.176 C=Cc1ccc(c(c1)Br)C 271570a_100011290941_100011847877 [1,1,0,0,0,0|1,0,1]=4 4018 B10R1.176 C=Cc1ccc(c(c1)Br)Cl 271570a_100011290941_100012353702 [1,1,0,0,0,0|1,0,1]=4 4019 B10R1.176 C=Cc1ccc(c(c1)Br)F 271570a_100011290941_100012047266 [1,1,0,0,0,0|1,0,1]=4 4020 B10R1.176 C=Cc1ccc(c(c1)Br)N 271570a_100011290941_100000750455 [1,1,0,0,0,0|1,0,1]=4 4021 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [1,1,0,0,0,0|1,0,1]=4 4022 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [1,1,0,0,0,0|0,0,1]=3 4023 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [1,1,0,0,0,0|0,0,1]=3 4024 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [1,1,0,0,0,0|0,0,1]=3 4025 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [1,1,0,0,0,0|0,0,1]=3 4026 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [1,1,0,0,0,0|0,0,1]=3 4027 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [1,1,0,0,0,0|0,0,1]=3 4028 B10R1.176 C=Cc1ccc(c(c1)Cl)Br 271570a_100011290941_100012047281 [1,1,0,0,0,0|1,0,1]=4 4029 B10R1.176 C=Cc1ccc(c(c1)Cl)C 271570a_100011290941_100011216363 [1,1,0,0,0,0|1,0,1]=4 4030 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl 271570a_100011290941_100011214914 [1,1,0,0,0,0|1,0,1]=4 4031 B10R1.176 C=Cc1ccc(c(c1)Cl)F 271570a_100011290941_100011215976 [1,1,0,0,0,0|1,0,1]=4 4032 B10R1.176 C=Cc1ccc(c(c1)Cl)N 271570a_100011290941_100011218065 [1,1,0,0,0,0|1,0,1]=4 4033 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [1,1,0,0,0,0|1,0,1]=4 4034 B10R1.176 C=Cc1ccc(c(c1)F)Br 271570a_100011290941_100000685389 [1,1,0,0,0,0|1,0,1]=4 4035 B10R1.176 C=Cc1ccc(c(c1)F)C 271570a_100011290941_100000720648 [1,1,0,0,0,0|1,0,1]=4 4036 B10R1.176 C=Cc1ccc(c(c1)F)Cl 271570a_100011290941_100011216805 [1,1,0,0,0,0|1,0,1]=4 4037 B10R1.176 C=Cc1ccc(c(c1)F)F 271570a_100011290941_100000750028 [1,1,0,0,0,0|1,0,1]=4 4038 B10R1.176 C=Cc1ccc(c(c1)F)N 271570a_100011290941_100011215594 [1,1,0,0,0,0|1,0,1]=4 4039 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [1,1,0,0,0,0|1,0,1]=4 4040 B10R1.176 C=Cc1ccc(c(c1)N)Br 271570a_100011290941_100000750456 [1,1,0,0,0,0|1,0,1]=4 4041 B10R1.176 C=Cc1ccc(c(c1)N)C 271570a_100011290941_100000761890 [1,1,0,0,0,0|1,0,1]=4 4042 B10R1.176 C=Cc1ccc(c(c1)N)Cl 271570a_100011290941_200000761891 [1,1,0,0,0,0|1,0,1]=4 4043 B10R1.176 C=Cc1ccc(c(c1)N)F 271570a_100011290941_100000740924 [1,1,0,0,0,0|1,0,1]=4 4044 B10R1.176 C=Cc1ccc(c(c1)N)N 271570a_100011290941_100000741789 [1,1,0,0,0,0|1,0,1]=4 4045 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [1,1,0,0,0,0|1,0,1]=4 4046 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [1,1,0,0,0,0|1,0,1]=4 4047 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [1,1,0,0,0,0|1,0,1]=4 4048 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [1,1,0,0,0,0|1,0,1]=4 4049 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [1,1,0,0,0,0|1,0,1]=4 4050 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [1,1,0,0,0,0|1,0,1]=4 4051 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [1,1,0,0,0,0|1,0,1]=4 4052 B10R1.176 C=Cc1ccc(c(n1)C)Br 271570a_100011290941_100012360386 [1,1,0,0,0,0|1,0,1]=4 4053 B10R1.176 C=Cc1ccc(c(n1)C)C 271570a_100011290941_100000103781 [1,1,0,0,0,0|1,0,1]=4 4054 B10R1.176 C=Cc1ccc(c(n1)C)F 271570a_100011290941_100009814307 [1,1,0,0,0,0|1,0,1]=4 4055 B10R1.176 C=Cc1ccc(c(n1)C)N 271570a_100011290941_100000760127 [1,1,0,0,0,0|1,0,1]=4 4056 B10R1.176 C=Cc1ccc(c(n1)C)O 271570a_100011290941_100010233687 [1,1,0,0,0,0|1,0,1]=4 4057 B10R1.176 C=Cc1cnc(c(c1)C)Br 271570a_100011290941_100009816107 [1,1,0,0,0,0|1,0,1]=4 4058 B10R1.176 C=Cc1cnc(c(c1)C)C 271570a_100011290941_100000697892 [1,1,0,0,0,0|1,0,1]=4 4059 B10R1.176 C=Cc1cnc(c(c1)C)Cl 271570a_100011290941_100009922867 [1,1,0,0,0,0|1,0,1]=4 4060 B10R1.176 C=Cc1cnc(c(c1)C)F 271570a_100011290941_100000709442 [1,1,0,0,0,0|1,0,1]=4 4061 B10R1.176 C=Cc1cnc(c(c1)C)N 271570a_100011290941_100000186686 [1,1,0,0,0,0|1,0,1]=4 4062 B10R1.176 C=Cc1cnc(c(c1)C)O 271570a_100011290941_100000685391 [1,1,0,0,0,0|1,0,1]=4 4063 B10R1.176 CCc1ccc(c(c1)Br)O 271570a_203496583355_200009997437 [1,1,0,0,0,0|1,0,1]=4 4064 B10R1.176 CCc1ccc(c(c1)F)O 271570a_203496583355_200010339503 [1,1,0,0,0,0|1,0,1]=4 4065 B10R1.176 CCc1ccc(c(c1)O)F 271570a_203496583355_200010244628 [1,1,0,0,0,0|1,0,1]=4 4066 B10R1.176 CCc1ccc(c(c1)O)N 271570a_203496583355_100012339725 [1,1,0,0,0,0|1,0,1]=4 4067 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [1,1,0,0,0,0|1,0,1]=4 4068 B10R1.176 CNc1cc(c(cn1)O)C 271570a_203496583355_100012352278 [1,1,0,0,0,0|2,0,0]=4 4069 B10R1.176 CNc1ccc(c(c1)Br)Br 2230a_100011306057_200000210301 [1,1,0,0,0,0|2,0,0]=4 4070 B10R1.176 CNc1ccc(c(c1)Br)Br 34a_100011306057_200000210301 [1,1,0,0,0,0|2,0,0]=4 4071 B10R1.176 CNc1ccc(c(c1)Br)Br 7a_100011306057_200000210301 [1,1,0,0,0,0|2,0,0]=4 4072 B10R1.176 CNc1ccc(c(c1)Br)C 2230a_100000736455_200000210301 [1,1,0,0,0,0|2,0,0]=4 4073 B10R1.176 CNc1ccc(c(c1)Br)C 34a_100000736455_200000210301 [1,1,0,0,0,0|2,0,0]=4 4074 B10R1.176 CNc1ccc(c(c1)Br)C 7a_100000736455_200000210301 [1,1,0,0,0,0|2,0,0]=4 4075 B10R1.176 CNc1ccc(c(c1)Br)Cl 2230a_100000686031_200000210301 [1,1,0,0,0,0|2,0,0]=4 4076 B10R1.176 CNc1ccc(c(c1)Br)Cl 34a_100000686031_200000210301 [1,1,0,0,0,0|2,0,0]=4 4077 B10R1.176 CNc1ccc(c(c1)Br)F 2230a_100000760356_200000210301 [1,1,0,0,0,0|2,0,0]=4 4078 B10R1.176 CNc1ccc(c(c1)Br)F 34a_100000760356_200000210301 [1,1,0,0,0,0|2,0,0]=4 4079 B10R1.176 CNc1ccc(c(c1)Br)F 7a_100000760356_200000210301 [1,1,0,0,0,0|2,0,0]=4 4080 B10R1.176 CNc1ccc(c(c1)Br)I 34a_100000750458_200000210301 [1,1,0,0,0,0|2,0,0]=4 4081 B10R1.176 CNc1ccc(c(c1)Br)O 34a_100011534360_200000210301 [1,1,0,0,0,0|2,0,0]=4 4082 B10R1.176 CNc1ccc(c(c1)C)Br 2230a_100000210723_200000210301 [1,1,0,0,0,0|1,0,0]=3 4083 B10R1.176 CNc1ccc(c(c1)C)Br 34a_100000210723_200000210301 [1,1,0,0,0,0|1,0,0]=3 4084 B10R1.176 CNc1ccc(c(c1)C)Br 7a_100000210723_200000210301 [1,1,0,0,0,0|1,0,0]=3 4085 B10R1.176 CNc1ccc(c(c1)C)C 2230a_100000724040_200000210301 [1,1,0,0,0,0|1,0,0]=3 4086 B10R1.176 CNc1ccc(c(c1)C)C 34a_100000724040_200000210301 [1,1,0,0,0,0|1,0,0]=3 4087 B10R1.176 CNc1ccc(c(c1)C)C 7a_100000724040_200000210301 [1,1,0,0,0,0|1,0,0]=3 4088 B10R1.176 CNc1ccc(c(c1)C)Cl 2230a_100000187808_200000210301 [1,1,0,0,0,0|1,0,0]=3 4089 B10R1.176 CNc1ccc(c(c1)C)Cl 34a_100000187808_200000210301 [1,1,0,0,0,0|1,0,0]=3 4090 B10R1.176 CNc1ccc(c(c1)C)Cl 7a_100000187808_200000210301 [1,1,0,0,0,0|1,0,0]=3 4091 B10R1.176 CNc1ccc(c(c1)C)F 2230a_100000750164_200000210301 [1,1,0,0,0,0|1,0,0]=3 4092 B10R1.176 CNc1ccc(c(c1)C)F 34a_100000750164_200000210301 [1,1,0,0,0,0|1,0,0]=3 4093 B10R1.176 CNc1ccc(c(c1)C)F 7a_100000750164_200000210301 [1,1,0,0,0,0|1,0,0]=3 4094 B10R1.176 CNc1ccc(c(c1)C)I 34a_100000198070_200000210301 [1,1,0,0,0,0|1,0,0]=3 4095 B10R1.176 CNc1ccc(c(c1)C)I 7a_100000198070_200000210301 [1,1,0,0,0,0|1,0,0]=3 4096 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [1,1,0,0,0,0|1,0,0]=3 4097 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [1,1,0,0,0,0|1,0,0]=3 4098 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [1,1,0,0,0,0|1,0,0]=3 4099 B10R1.176 CNc1ccc(c(c1)Cl)Br 2230a_100000687081_200000210301 [1,1,0,0,0,0|2,0,0]=4 4100 B10R1.176 CNc1ccc(c(c1)Cl)Br 34a_100000687081_200000210301 [1,1,0,0,0,0|2,0,0]=4 4101 B10R1.176 CNc1ccc(c(c1)Cl)Br 7a_100000687081_200000210301 [1,1,0,0,0,0|2,0,0]=4 4102 B10R1.176 CNc1ccc(c(c1)Cl)C 2230a_100000188892_200000210301 [1,1,0,0,0,0|2,0,0]=4 4103 B10R1.176 CNc1ccc(c(c1)Cl)C 34a_100000188892_200000210301 [1,1,0,0,0,0|2,0,0]=4 4104 B10R1.176 CNc1ccc(c(c1)Cl)C 7a_100000188892_200000210301 [1,1,0,0,0,0|2,0,0]=4 4105 B10R1.176 CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_200000210301 [1,1,0,0,0,0|2,0,0]=4 4106 B10R1.176 CNc1ccc(c(c1)Cl)Cl 34a_100000184108_200000210301 [1,1,0,0,0,0|2,0,0]=4 4107 B10R1.176 CNc1ccc(c(c1)Cl)F 2230a_100000211060_200000210301 [1,1,0,0,0,0|2,0,0]=4 4108 B10R1.176 CNc1ccc(c(c1)Cl)F 34a_100000211060_200000210301 [1,1,0,0,0,0|2,0,0]=4 4109 B10R1.176 CNc1ccc(c(c1)Cl)F 7a_100000211060_200000210301 [1,1,0,0,0,0|2,0,0]=4 4110 B10R1.176 CNc1ccc(c(c1)Cl)I 34a_100000761885_200000210301 [1,1,0,0,0,0|2,0,0]=4 4111 B10R1.176 CNc1ccc(c(c1)Cl)O 34a_100000744943_200000210301 [1,1,0,0,0,0|2,0,0]=4 4112 B10R1.176 CNc1ccc(c(c1)F)Br 2230a_100000759894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4113 B10R1.176 CNc1ccc(c(c1)F)Br 34a_100000759894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4114 B10R1.176 CNc1ccc(c(c1)F)Br 7a_100000759894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4115 B10R1.176 CNc1ccc(c(c1)F)C 2230a_100000210958_200000210301 [1,1,0,0,0,0|2,0,0]=4 4116 B10R1.176 CNc1ccc(c(c1)F)C 34a_100000210958_200000210301 [1,1,0,0,0,0|2,0,0]=4 4117 B10R1.176 CNc1ccc(c(c1)F)C 7a_100000210958_200000210301 [1,1,0,0,0,0|2,0,0]=4 4118 B10R1.176 CNc1ccc(c(c1)F)Cl 2230a_100000739366_200000210301 [1,1,0,0,0,0|2,0,0]=4 4119 B10R1.176 CNc1ccc(c(c1)F)Cl 34a_100000739366_200000210301 [1,1,0,0,0,0|2,0,0]=4 4120 B10R1.176 CNc1ccc(c(c1)F)Cl 7a_100000739366_200000210301 [1,1,0,0,0,0|2,0,0]=4 4121 B10R1.176 CNc1ccc(c(c1)F)F 2230a_100000210724_200000210301 [1,1,0,0,0,0|2,0,0]=4 4122 B10R1.176 CNc1ccc(c(c1)F)F 34a_100000210724_200000210301 [1,1,0,0,0,0|2,0,0]=4 4123 B10R1.176 CNc1ccc(c(c1)F)F 7a_100000210724_200000210301 [1,1,0,0,0,0|2,0,0]=4 4124 B10R1.176 CNc1ccc(c(c1)F)I 34a_100011356925_200000210301 [1,1,0,0,0,0|2,0,0]=4 4125 B10R1.176 CNc1ccc(c(c1)F)I 7a_100011356925_200000210301 [1,1,0,0,0,0|2,0,0]=4 4126 B10R1.176 CNc1ccc(c(c1)F)O 271570a_203496583355_100012285320 [1,1,0,0,0,0|2,0,0]=4 4127 B10R1.176 CNc1ccc(c(c1)F)O 34a_100011220035_200000210301 [1,1,0,0,0,0|2,0,0]=4 4128 B10R1.176 CNc1ccc(c(c1)F)O 7a_100011220035_200000210301 [1,1,0,0,0,0|2,0,0]=4 4129 B10R1.176 CNc1ccc(c(c1)I)Br 34a_100000750459_200000210301 [1,1,0,0,0,0|2,0,0]=4 4130 B10R1.176 CNc1ccc(c(c1)I)C 34a_100000184131_200000210301 [1,1,0,0,0,0|2,0,0]=4 4131 B10R1.176 CNc1ccc(c(c1)I)C 7a_100000184131_200000210301 [1,1,0,0,0,0|2,0,0]=4 4132 B10R1.176 CNc1ccc(c(c1)I)Cl 34a_100012360549_200000210301 [1,1,0,0,0,0|2,0,0]=4 4133 B10R1.176 CNc1ccc(c(c1)I)F 34a_114828291077_200000210301 [1,1,0,0,0,0|2,0,0]=4 4134 B10R1.176 CNc1ccc(c(c1)I)F 7a_114828291077_200000210301 [1,1,0,0,0,0|2,0,0]=4 4135 B10R1.176 CNc1ccc(c(c1)O)C 271570a_203496583355_100000707694 [1,1,0,0,0,0|2,0,0]=4 4136 B10R1.176 CNc1ccc(c(c1)O)C 34a_100000759471_200000210301 [1,1,0,0,0,0|2,0,0]=4 4137 B10R1.176 CNc1ccc(c(c1)O)C 7a_100000759471_200000210301 [1,1,0,0,0,0|2,0,0]=4 4138 B10R1.176 CNc1ccc(c(c1)O)Cl 34a_100011934209_200000210301 [1,1,0,0,0,0|2,0,0]=4 4139 B10R1.176 CNc1ccc(c(c1)O)F 34a_100012017398_200000210301 [1,1,0,0,0,0|2,0,0]=4 4140 B10R1.176 CNc1ccc(c(c1)O)F 7a_100012017398_200000210301 [1,1,0,0,0,0|2,0,0]=4 4141 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [1,1,0,0,0,0|2,0,0]=4 4142 B10R1.176 COc1cc(c(cn1)Br)C 34a_100000766222_200000210301 [1,1,0,0,0,0|2,0,0]=4 4143 B10R1.176 COc1cc(c(cn1)Cl)C 34a_200000085746_200000210301 [1,1,0,0,0,0|2,0,0]=4 4144 B10R1.176 COc1cc(c(cn1)O)C 271570a_203496583355_100011934368 [1,1,0,0,0,0|2,0,0]=4 4145 B10R1.176 COc1ccc(c(c1)Br)C 34a_100011380479_200000210301 [1,1,0,0,0,0|2,0,0]=4 4146 B10R1.176 COc1ccc(c(c1)Br)C 7a_100011380479_200000210301 [1,1,0,0,0,0|2,0,0]=4 4147 B10R1.176 COc1ccc(c(c1)Br)Cl 34a_100011933957_200000210301 [1,1,0,0,0,0|2,0,0]=4 4148 B10R1.176 COc1ccc(c(c1)Br)Cl 7a_100011933957_200000210301 [1,1,0,0,0,0|2,0,0]=4 4149 B10R1.176 COc1ccc(c(c1)Br)F 34a_100000693481_200000210301 [1,1,0,0,0,0|2,0,0]=4 4150 B10R1.176 COc1ccc(c(c1)Br)F 7a_100000693481_200000210301 [1,1,0,0,0,0|2,0,0]=4 4151 B10R1.176 COc1ccc(c(c1)Br)I 34a_100000701344_200000210301 [1,1,0,0,0,0|2,0,0]=4 4152 B10R1.176 COc1ccc(c(c1)Br)I 7a_100000701344_200000210301 [1,1,0,0,0,0|2,0,0]=4 4153 B10R1.176 COc1ccc(c(c1)Br)N 34a_100012001276_200000210301 [1,1,0,0,0,0|2,0,0]=4 4154 B10R1.176 COc1ccc(c(c1)Br)N 7a_100012001276_200000210301 [1,1,0,0,0,0|2,0,0]=4 4155 B10R1.176 COc1ccc(c(c1)Br)O 271570a_203496583355_100012349170 [1,1,0,0,0,0|2,0,0]=4 4156 B10R1.176 COc1ccc(c(c1)C)Br 34a_100000690111_200000210301 [1,1,0,0,0,0|1,0,0]=3 4157 B10R1.176 COc1ccc(c(c1)C)Br 7a_100000690111_200000210301 [1,1,0,0,0,0|1,0,0]=3 4158 B10R1.176 COc1ccc(c(c1)C)C 34a_100000210932_200000210301 [1,1,0,0,0,0|1,0,0]=3 4159 B10R1.176 COc1ccc(c(c1)C)C 7a_100000210932_200000210301 [1,1,0,0,0,0|1,0,0]=3 4160 B10R1.176 COc1ccc(c(c1)C)Cl 34a_100000211092_200000210301 [1,1,0,0,0,0|1,0,0]=3 4161 B10R1.176 COc1ccc(c(c1)C)Cl 7a_100000211092_200000210301 [1,1,0,0,0,0|1,0,0]=3 4162 B10R1.176 COc1ccc(c(c1)C)F 34a_100000751312_200000210301 [1,1,0,0,0,0|1,0,0]=3 4163 B10R1.176 COc1ccc(c(c1)C)F 7a_100000751312_200000210301 [1,1,0,0,0,0|1,0,0]=3 4164 B10R1.176 COc1ccc(c(c1)C)I 34a_100000729255_200000210301 [1,1,0,0,0,0|1,0,0]=3 4165 B10R1.176 COc1ccc(c(c1)C)I 7a_100000729255_200000210301 [1,1,0,0,0,0|1,0,0]=3 4166 B10R1.176 COc1ccc(c(c1)C)N 34a_100000756630_200000210301 [1,1,0,0,0,0|1,0,0]=3 4167 B10R1.176 COc1ccc(c(c1)C)N 7a_100000756630_200000210301 [1,1,0,0,0,0|1,0,0]=3 4168 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [1,1,0,0,0,0|1,0,0]=3 4169 B10R1.176 COc1ccc(c(c1)Cl)Br 34a_100011215161_200000210301 [1,1,0,0,0,0|2,0,0]=4 4170 B10R1.176 COc1ccc(c(c1)Cl)Br 7a_100011215161_200000210301 [1,1,0,0,0,0|2,0,0]=4 4171 B10R1.176 COc1ccc(c(c1)Cl)C 34a_100011265682_200000210301 [1,1,0,0,0,0|2,0,0]=4 4172 B10R1.176 COc1ccc(c(c1)Cl)C 7a_100011265682_200000210301 [1,1,0,0,0,0|2,0,0]=4 4173 B10R1.176 COc1ccc(c(c1)Cl)Cl 34a_100000211054_200000210301 [1,1,0,0,0,0|2,0,0]=4 4174 B10R1.176 COc1ccc(c(c1)Cl)Cl 7a_100000211054_200000210301 [1,1,0,0,0,0|2,0,0]=4 4175 B10R1.176 COc1ccc(c(c1)Cl)F 34a_100000211030_200000210301 [1,1,0,0,0,0|2,0,0]=4 4176 B10R1.176 COc1ccc(c(c1)Cl)F 7a_100000211030_200000210301 [1,1,0,0,0,0|2,0,0]=4 4177 B10R1.176 COc1ccc(c(c1)Cl)I 34a_100000047559_200000210301 [1,1,0,0,0,0|2,0,0]=4 4178 B10R1.176 COc1ccc(c(c1)Cl)I 7a_100000047559_200000210301 [1,1,0,0,0,0|2,0,0]=4 4179 B10R1.176 COc1ccc(c(c1)Cl)N 34a_100011215599_200000210301 [1,1,0,0,0,0|2,0,0]=4 4180 B10R1.176 COc1ccc(c(c1)Cl)N 7a_100011215599_200000210301 [1,1,0,0,0,0|2,0,0]=4 4181 B10R1.176 COc1ccc(c(c1)F)Br 34a_100000755031_200000210301 [1,1,0,0,0,0|2,0,0]=4 4182 B10R1.176 COc1ccc(c(c1)F)Br 7a_100000755031_200000210301 [1,1,0,0,0,0|2,0,0]=4 4183 B10R1.176 COc1ccc(c(c1)F)C 34a_100000722560_200000210301 [1,1,0,0,0,0|2,0,0]=4 4184 B10R1.176 COc1ccc(c(c1)F)C 7a_100000722560_200000210301 [1,1,0,0,0,0|2,0,0]=4 4185 B10R1.176 COc1ccc(c(c1)F)Cl 34a_100000691581_200000210301 [1,1,0,0,0,0|2,0,0]=4 4186 B10R1.176 COc1ccc(c(c1)F)Cl 7a_100000691581_200000210301 [1,1,0,0,0,0|2,0,0]=4 4187 B10R1.176 COc1ccc(c(c1)F)F 34a_100000181275_200000210301 [1,1,0,0,0,0|2,0,0]=4 4188 B10R1.176 COc1ccc(c(c1)F)F 7a_100000181275_200000210301 [1,1,0,0,0,0|2,0,0]=4 4189 B10R1.176 COc1ccc(c(c1)F)I 34a_100009990212_200000210301 [1,1,0,0,0,0|2,0,0]=4 4190 B10R1.176 COc1ccc(c(c1)F)I 7a_100009990212_200000210301 [1,1,0,0,0,0|2,0,0]=4 4191 B10R1.176 COc1ccc(c(c1)F)N 34a_100000759473_200000210301 [1,1,0,0,0,0|2,0,0]=4 4192 B10R1.176 COc1ccc(c(c1)F)N 7a_100000759473_200000210301 [1,1,0,0,0,0|2,0,0]=4 4193 B10R1.176 COc1ccc(c(c1)F)O 271570a_203496583355_100000753793 [1,1,0,0,0,0|2,0,0]=4 4194 B10R1.176 COc1ccc(c(c1)I)Br 34a_100012339312_200000210301 [1,1,0,0,0,0|2,0,0]=4 4195 B10R1.176 COc1ccc(c(c1)I)Br 7a_100012339312_200000210301 [1,1,0,0,0,0|2,0,0]=4 4196 B10R1.176 COc1ccc(c(c1)I)Cl 34a_100000049588_200000210301 [1,1,0,0,0,0|2,0,0]=4 4197 B10R1.176 COc1ccc(c(c1)I)Cl 7a_100000049588_200000210301 [1,1,0,0,0,0|2,0,0]=4 4198 B10R1.176 COc1ccc(c(c1)I)N 34a_100010084370_200000210301 [1,1,0,0,0,0|2,0,0]=4 4199 B10R1.176 COc1ccc(c(c1)I)N 7a_100010084370_200000210301 [1,1,0,0,0,0|2,0,0]=4 4200 B10R1.176 COc1ccc(c(c1)N)Br 34a_100011999798_200000210301 [1,1,0,0,0,0|2,0,0]=4 4201 B10R1.176 COc1ccc(c(c1)N)Br 7a_100011999798_200000210301 [1,1,0,0,0,0|2,0,0]=4 4202 B10R1.176 COc1ccc(c(c1)N)C 34a_100011216113_200000210301 [1,1,0,0,0,0|2,0,0]=4 4203 B10R1.176 COc1ccc(c(c1)N)C 7a_100011216113_200000210301 [1,1,0,0,0,0|2,0,0]=4 4204 B10R1.176 COc1ccc(c(c1)N)Cl 34a_100011934297_200000210301 [1,1,0,0,0,0|2,0,0]=4 4205 B10R1.176 COc1ccc(c(c1)N)F 34a_100012017239_200000210301 [1,1,0,0,0,0|2,0,0]=4 4206 B10R1.176 COc1ccc(c(c1)N)F 7a_100012017239_200000210301 [1,1,0,0,0,0|2,0,0]=4 4207 B10R1.176 COc1ccc(c(c1)N)N 34a_100025771000_200000210301 [1,1,0,0,0,0|2,0,0]=4 4208 B10R1.176 COc1ccc(c(c1)N)O 271570a_203496583355_100000748021 [1,1,0,0,0,0|2,0,0]=4 4209 B10R1.176 COc1ccc(c(c1)O)Br 271570a_203496583355_100009992028 [1,1,0,0,0,0|2,0,0]=4 4210 B10R1.176 COc1ccc(c(c1)O)C 271570a_203496583355_100012349166 [1,1,0,0,0,0|2,0,0]=4 4211 B10R1.176 COc1ccc(c(c1)O)Cl 271570a_203496583355_100011356938 [1,1,0,0,0,0|2,0,0]=4 4212 B10R1.176 COc1ccc(c(c1)O)F 271570a_203496583355_100000699733 [1,1,0,0,0,0|2,0,0]=4 4213 B10R1.176 COc1ccc(c(c1)O)N 271570a_203496583355_100015195136 [1,1,0,0,0,0|2,0,0]=4 4214 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [1,1,0,0,0,0|2,0,0]=4 4215 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [1,1,0,0,0,0|2,0,0]=4 4216 B10R1.176 COc1ccc(c(n1)C)Br 34a_100000691680_200000210301 [1,1,0,0,0,0|2,0,0]=4 4217 B10R1.176 COc1ccc(c(n1)C)Cl 34a_200009863735_200000210301 [1,1,0,0,0,0|2,0,0]=4 4218 B10R1.176 COc1ccc(c(n1)C)O 271570a_203496583355_100000766551 [1,1,0,0,0,0|2,0,0]=4 4219 B10R1.176 COc1cnc(c(c1)C)Br 34a_100012000486_200000210301 [1,1,0,0,0,0|2,0,0]=4 4220 B10R1.176 COc1cnc(c(c1)C)Br 7a_100012000486_200000210301 [1,1,0,0,0,0|2,0,0]=4 4221 B10R1.176 COc1cnc(c(c1)C)C 34a_100009854398_200000210301 [1,1,0,0,0,0|2,0,0]=4 4222 B10R1.176 COc1cnc(c(c1)C)C 7a_100009854398_200000210301 [1,1,0,0,0,0|2,0,0]=4 4223 B10R1.176 COc1cnc(c(c1)C)Cl 34a_100012002680_200000210301 [1,1,0,0,0,0|2,0,0]=4 4224 B10R1.176 COc1cnc(c(c1)C)Cl 7a_100012002680_200000210301 [1,1,0,0,0,0|2,0,0]=4 4225 B10R1.176 COc1cnc(c(c1)C)F 34a_100000094615_200000210301 [1,1,0,0,0,0|2,0,0]=4 4226 B10R1.176 COc1cnc(c(c1)C)F 7a_100000094615_200000210301 [1,1,0,0,0,0|2,0,0]=4 4227 B10R1.176 COc1cnc(c(c1)C)O 271570a_203496583355_200009851512 [1,1,0,0,0,0|2,0,0]=4 4228 B10R1.176 CSc1cc(c(cn1)Br)C 62a_100012356354_200000210301 [1,1,0,0,0,0|2,0,0]=4 4229 B10R1.176 CSc1cc(c(cn1)Br)C 62a_200000210301_100012356354 [1,1,0,0,0,0|2,0,0]=4 4230 B10R1.176 CSc1cc(c(cn1)C)C 62a_100009850809_200000210301 [1,1,0,0,0,0|2,0,0]=4 4231 B10R1.176 CSc1cc(c(cn1)C)C 62a_200000210301_100009850809 [1,1,0,0,0,0|2,0,0]=4 4232 B10R1.176 CSc1cc(c(cn1)F)C 62a_100009818257_200000210301 [1,1,0,0,0,0|2,0,0]=4 4233 B10R1.176 CSc1cc(c(cn1)F)C 62a_200000210301_100009818257 [1,1,0,0,0,0|2,0,0]=4 4234 B10R1.176 CSc1cc(c(cn1)N)C 62a_100000067204_200000210301 [1,1,0,0,0,0|2,0,0]=4 4235 B10R1.176 CSc1cc(c(cn1)N)C 62a_200000210301_100000067204 [1,1,0,0,0,0|2,0,0]=4 4236 B10R1.176 CSc1cc(c(cn1)O)C 62a_200000210301_100000692680 [1,1,0,0,0,0|2,0,0]=4 4237 B10R1.176 CSc1ccc(=O)n(c1)C 62a_100011245003_200000210301 [1,1,0,0,0,0|2,0,0]=4 4238 B10R1.176 CSc1ccc(=O)n(c1)C 62a_200000210301_100011245003 [1,1,0,0,0,0|2,0,0]=4 4239 B10R1.176 CSc1ccc(c(c1)Br)Br 62a_100012356285_200000210301 [1,1,0,0,0,0|2,0,0]=4 4240 B10R1.176 CSc1ccc(c(c1)Br)Br 62a_200000210301_100012356285 [1,1,0,0,0,0|2,0,0]=4 4241 B10R1.176 CSc1ccc(c(c1)Br)C 62a_100011847877_200000210301 [1,1,0,0,0,0|2,0,0]=4 4242 B10R1.176 CSc1ccc(c(c1)Br)C 62a_200000210301_100011847877 [1,1,0,0,0,0|2,0,0]=4 4243 B10R1.176 CSc1ccc(c(c1)Br)Cl 62a_100012353702_200000210301 [1,1,0,0,0,0|2,0,0]=4 4244 B10R1.176 CSc1ccc(c(c1)Br)Cl 62a_200000210301_100012353702 [1,1,0,0,0,0|2,0,0]=4 4245 B10R1.176 CSc1ccc(c(c1)Br)F 62a_100012047266_200000210301 [1,1,0,0,0,0|2,0,0]=4 4246 B10R1.176 CSc1ccc(c(c1)Br)F 62a_200000210301_100012047266 [1,1,0,0,0,0|2,0,0]=4 4247 B10R1.176 CSc1ccc(c(c1)Br)N 62a_100000750455_200000210301 [1,1,0,0,0,0|2,0,0]=4 4248 B10R1.176 CSc1ccc(c(c1)Br)N 62a_200000210301_100000750455 [1,1,0,0,0,0|2,0,0]=4 4249 B10R1.176 CSc1ccc(c(c1)Br)O 62a_100012361655_200000210301 [1,1,0,0,0,0|2,0,0]=4 4250 B10R1.176 CSc1ccc(c(c1)Br)O 62a_200000210301_100012361655 [1,1,0,0,0,0|2,0,0]=4 4251 B10R1.176 CSc1ccc(c(c1)C)Br 62a_100009813585_200000210301 [1,1,0,0,0,0|1,0,0]=3 4252 B10R1.176 CSc1ccc(c(c1)C)Br 62a_200000210301_100009813585 [1,1,0,0,0,0|1,0,0]=3 4253 B10R1.176 CSc1ccc(c(c1)C)C 62a_100011215607_200000210301 [1,1,0,0,0,0|1,0,0]=3 4254 B10R1.176 CSc1ccc(c(c1)C)C 62a_200000210301_100011215607 [1,1,0,0,0,0|1,0,0]=3 4255 B10R1.176 CSc1ccc(c(c1)C)Cl 62a_100000049509_200000210301 [1,1,0,0,0,0|1,0,0]=3 4256 B10R1.176 CSc1ccc(c(c1)C)Cl 62a_200000210301_100000049509 [1,1,0,0,0,0|1,0,0]=3 4257 B10R1.176 CSc1ccc(c(c1)C)F 62a_100011218330_200000210301 [1,1,0,0,0,0|1,0,0]=3 4258 B10R1.176 CSc1ccc(c(c1)C)F 62a_200000210301_100011218330 [1,1,0,0,0,0|1,0,0]=3 4259 B10R1.176 CSc1ccc(c(c1)C)N 62a_100000211769_200000210301 [1,1,0,0,0,0|1,0,0]=3 4260 B10R1.176 CSc1ccc(c(c1)C)N 62a_200000210301_100000211769 [1,1,0,0,0,0|1,0,0]=3 4261 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [1,1,0,0,0,0|1,0,0]=3 4262 B10R1.176 CSc1ccc(c(c1)Cl)Br 62a_100012047281_200000210301 [1,1,0,0,0,0|2,0,0]=4 4263 B10R1.176 CSc1ccc(c(c1)Cl)Br 62a_200000210301_100012047281 [1,1,0,0,0,0|2,0,0]=4 4264 B10R1.176 CSc1ccc(c(c1)Cl)C 62a_100011216363_200000210301 [1,1,0,0,0,0|2,0,0]=4 4265 B10R1.176 CSc1ccc(c(c1)Cl)C 62a_200000210301_100011216363 [1,1,0,0,0,0|2,0,0]=4 4266 B10R1.176 CSc1ccc(c(c1)Cl)Cl 62a_100011214914_200000210301 [1,1,0,0,0,0|2,0,0]=4 4267 B10R1.176 CSc1ccc(c(c1)Cl)Cl 62a_200000210301_100011214914 [1,1,0,0,0,0|2,0,0]=4 4268 B10R1.176 CSc1ccc(c(c1)Cl)F 62a_100011215976_200000210301 [1,1,0,0,0,0|2,0,0]=4 4269 B10R1.176 CSc1ccc(c(c1)Cl)F 62a_200000210301_100011215976 [1,1,0,0,0,0|2,0,0]=4 4270 B10R1.176 CSc1ccc(c(c1)Cl)N 62a_100011218065_200000210301 [1,1,0,0,0,0|2,0,0]=4 4271 B10R1.176 CSc1ccc(c(c1)Cl)N 62a_200000210301_100011218065 [1,1,0,0,0,0|2,0,0]=4 4272 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_100012360047_200000210301 [1,1,0,0,0,0|2,0,0]=4 4273 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_200000210301_100012360047 [1,1,0,0,0,0|2,0,0]=4 4274 B10R1.176 CSc1ccc(c(c1)F)Br 62a_100000685389_200000210301 [1,1,0,0,0,0|2,0,0]=4 4275 B10R1.176 CSc1ccc(c(c1)F)Br 62a_200000210301_100000685389 [1,1,0,0,0,0|2,0,0]=4 4276 B10R1.176 CSc1ccc(c(c1)F)C 62a_100000720648_200000210301 [1,1,0,0,0,0|2,0,0]=4 4277 B10R1.176 CSc1ccc(c(c1)F)C 62a_200000210301_100000720648 [1,1,0,0,0,0|2,0,0]=4 4278 B10R1.176 CSc1ccc(c(c1)F)Cl 62a_100011216805_200000210301 [1,1,0,0,0,0|2,0,0]=4 4279 B10R1.176 CSc1ccc(c(c1)F)Cl 62a_200000210301_100011216805 [1,1,0,0,0,0|2,0,0]=4 4280 B10R1.176 CSc1ccc(c(c1)F)F 62a_100000703953_200000210301 [1,1,0,0,0,0|2,0,0]=4 4281 B10R1.176 CSc1ccc(c(c1)F)F 62a_200000210301_100000703953 [1,1,0,0,0,0|2,0,0]=4 4282 B10R1.176 CSc1ccc(c(c1)F)N 62a_100011215594_200000210301 [1,1,0,0,0,0|2,0,0]=4 4283 B10R1.176 CSc1ccc(c(c1)F)N 62a_200000210301_100011215594 [1,1,0,0,0,0|2,0,0]=4 4284 B10R1.176 CSc1ccc(c(c1)F)O 271570a_203496583355_100009816902 [1,1,0,0,0,0|2,0,0]=4 4285 B10R1.176 CSc1ccc(c(c1)F)O 62a_100000185481_200000210301 [1,1,0,0,0,0|2,0,0]=4 4286 B10R1.176 CSc1ccc(c(c1)F)O 62a_200000210301_100000185481 [1,1,0,0,0,0|2,0,0]=4 4287 B10R1.176 CSc1ccc(c(c1)N)Br 62a_100000750456_200000210301 [1,1,0,0,0,0|2,0,0]=4 4288 B10R1.176 CSc1ccc(c(c1)N)Br 62a_200000210301_100000750456 [1,1,0,0,0,0|2,0,0]=4 4289 B10R1.176 CSc1ccc(c(c1)N)C 62a_100000761890_200000210301 [1,1,0,0,0,0|2,0,0]=4 4290 B10R1.176 CSc1ccc(c(c1)N)C 62a_200000210301_100000761890 [1,1,0,0,0,0|2,0,0]=4 4291 B10R1.176 CSc1ccc(c(c1)N)Cl 62a_200000210301_200000761891 [1,1,0,0,0,0|2,0,0]=4 4292 B10R1.176 CSc1ccc(c(c1)N)Cl 62a_200000761891_200000210301 [1,1,0,0,0,0|2,0,0]=4 4293 B10R1.176 CSc1ccc(c(c1)N)F 62a_100000740924_200000210301 [1,1,0,0,0,0|2,0,0]=4 4294 B10R1.176 CSc1ccc(c(c1)N)F 62a_200000210301_100000740924 [1,1,0,0,0,0|2,0,0]=4 4295 B10R1.176 CSc1ccc(c(c1)N)N 62a_100000741789_200000210301 [1,1,0,0,0,0|2,0,0]=4 4296 B10R1.176 CSc1ccc(c(c1)N)N 62a_200000210301_100011534411 [1,1,0,0,0,0|2,0,0]=4 4297 B10R1.176 CSc1ccc(c(c1)N)O 62a_100000752626_200000210301 [1,1,0,0,0,0|2,0,0]=4 4298 B10R1.176 CSc1ccc(c(c1)N)O 62a_200000210301_100000752626 [1,1,0,0,0,0|2,0,0]=4 4299 B10R1.176 CSc1ccc(c(c1)O)Br 62a_100012356990_200000210301 [1,1,0,0,0,0|2,0,0]=4 4300 B10R1.176 CSc1ccc(c(c1)O)Br 62a_200000210301_100012356990 [1,1,0,0,0,0|2,0,0]=4 4301 B10R1.176 CSc1ccc(c(c1)O)C 62a_100000685420_200000210301 [1,1,0,0,0,0|2,0,0]=4 4302 B10R1.176 CSc1ccc(c(c1)O)C 62a_200000210301_100000685420 [1,1,0,0,0,0|2,0,0]=4 4303 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_100011356854_200000210301 [1,1,0,0,0,0|2,0,0]=4 4304 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_200000210301_100011356854 [1,1,0,0,0,0|2,0,0]=4 4305 B10R1.176 CSc1ccc(c(c1)O)F 271570a_203496583355_200010708804 [1,1,0,0,0,0|2,0,0]=4 4306 B10R1.176 CSc1ccc(c(c1)O)F 62a_100000686035_200000210301 [1,1,0,0,0,0|2,0,0]=4 4307 B10R1.176 CSc1ccc(c(c1)O)F 62a_200000210301_100000686035 [1,1,0,0,0,0|2,0,0]=4 4308 B10R1.176 CSc1ccc(c(c1)O)N 62a_100000739049_200000210301 [1,1,0,0,0,0|2,0,0]=4 4309 B10R1.176 CSc1ccc(c(c1)O)N 62a_200000210301_100000739049 [1,1,0,0,0,0|2,0,0]=4 4310 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [1,1,0,0,0,0|2,0,0]=4 4311 B10R1.176 CSc1ccc(c(n1)C)Br 62a_100012360386_200000210301 [1,1,0,0,0,0|2,0,0]=4 4312 B10R1.176 CSc1ccc(c(n1)C)Br 62a_200000210301_100012360386 [1,1,0,0,0,0|2,0,0]=4 4313 B10R1.176 CSc1ccc(c(n1)C)C 62a_100000103781_200000210301 [1,1,0,0,0,0|2,0,0]=4 4314 B10R1.176 CSc1ccc(c(n1)C)C 62a_200000210301_100000103781 [1,1,0,0,0,0|2,0,0]=4 4315 B10R1.176 CSc1ccc(c(n1)C)F 62a_100009814307_200000210301 [1,1,0,0,0,0|2,0,0]=4 4316 B10R1.176 CSc1ccc(c(n1)C)F 62a_200000210301_100009814307 [1,1,0,0,0,0|2,0,0]=4 4317 B10R1.176 CSc1ccc(c(n1)C)N 62a_100000720120_200000210301 [1,1,0,0,0,0|2,0,0]=4 4318 B10R1.176 CSc1ccc(c(n1)C)N 62a_200000210301_100000720120 [1,1,0,0,0,0|2,0,0]=4 4319 B10R1.176 CSc1ccc(c(n1)C)O 62a_100010233687_200000210301 [1,1,0,0,0,0|2,0,0]=4 4320 B10R1.176 CSc1ccc(c(n1)C)O 62a_200000210301_100010233687 [1,1,0,0,0,0|2,0,0]=4 4321 B10R1.176 CSc1cnc(c(c1)C)Br 62a_100009816107_200000210301 [1,1,0,0,0,0|2,0,0]=4 4322 B10R1.176 CSc1cnc(c(c1)C)Br 62a_200000210301_100009816107 [1,1,0,0,0,0|2,0,0]=4 4323 B10R1.176 CSc1cnc(c(c1)C)C 62a_100000697892_200000210301 [1,1,0,0,0,0|2,0,0]=4 4324 B10R1.176 CSc1cnc(c(c1)C)C 62a_200000210301_100000697892 [1,1,0,0,0,0|2,0,0]=4 4325 B10R1.176 CSc1cnc(c(c1)C)Cl 62a_100009922867_200000210301 [1,1,0,0,0,0|2,0,0]=4 4326 B10R1.176 CSc1cnc(c(c1)C)Cl 62a_200000210301_100009922867 [1,1,0,0,0,0|2,0,0]=4 4327 B10R1.176 CSc1cnc(c(c1)C)F 62a_100000709442_200000210301 [1,1,0,0,0,0|2,0,0]=4 4328 B10R1.176 CSc1cnc(c(c1)C)F 62a_200000210301_100000709442 [1,1,0,0,0,0|2,0,0]=4 4329 B10R1.176 CSc1cnc(c(c1)C)N 62a_100000684428_200000210301 [1,1,0,0,0,0|2,0,0]=4 4330 B10R1.176 CSc1cnc(c(c1)C)N 62a_200000210301_100000684428 [1,1,0,0,0,0|2,0,0]=4 4331 B10R1.176 CSc1cnc(c(c1)C)O 271570a_203496583355_203440288091 [1,1,0,0,0,0|2,0,0]=4 4332 B10R1.176 CSc1cnc(c(c1)C)O 62a_100000685391_200000210301 [1,1,0,0,0,0|2,0,0]=4 4333 B10R1.176 CSc1cnc(c(c1)C)O 62a_200000210301_100000685391 [1,1,0,0,0,0|2,0,0]=4 4334 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 2230a_100000210723_200025704644 [1,1,0,0,0,0|1,0,0]=3 4335 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 34a_100000210723_200025704644 [1,1,0,0,0,0|1,0,0]=3 4336 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 7a_100000210723_200025704644 [1,1,0,0,0,0|1,0,0]=3 4337 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 34a_100000690111_200025704644 [1,1,0,0,0,0|1,0,0]=3 4338 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 7a_100000690111_200025704644 [1,1,0,0,0,0|1,0,0]=3 4339 B10R1.176 Cc1cc(ccc1Br)S[13CH3] 62a_100009813585_200025704644 [1,1,0,0,0,0|1,0,0]=3 4340 B10R1.176 Cc1cc(ccc1Br)S[13CH3] 62a_200025704644_100009813585 [1,1,0,0,0,0|1,0,0]=3 4341 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 2230a_100000187808_200025704644 [1,1,0,0,0,0|1,0,0]=3 4342 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 34a_100000187808_200025704644 [1,1,0,0,0,0|1,0,0]=3 4343 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 7a_100000187808_200025704644 [1,1,0,0,0,0|1,0,0]=3 4344 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 34a_100000211092_200025704644 [1,1,0,0,0,0|1,0,0]=3 4345 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 7a_100000211092_200025704644 [1,1,0,0,0,0|1,0,0]=3 4346 B10R1.176 Cc1cc(ccc1Cl)S[13CH3] 62a_100000049509_200025704644 [1,1,0,0,0,0|1,0,0]=3 4347 B10R1.176 Cc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100000049509 [1,1,0,0,0,0|1,0,0]=3 4348 B10R1.176 Cc1cc(ccc1F)N[13CH3] 2230a_100000750164_200025704644 [1,1,0,0,0,0|1,0,0]=3 4349 B10R1.176 Cc1cc(ccc1F)N[13CH3] 34a_100000750164_200025704644 [1,1,0,0,0,0|1,0,0]=3 4350 B10R1.176 Cc1cc(ccc1F)N[13CH3] 7a_100000750164_200025704644 [1,1,0,0,0,0|1,0,0]=3 4351 B10R1.176 Cc1cc(ccc1F)O[13CH3] 34a_100000751312_200025704644 [1,1,0,0,0,0|1,0,0]=3 4352 B10R1.176 Cc1cc(ccc1F)O[13CH3] 7a_100000751312_200025704644 [1,1,0,0,0,0|1,0,0]=3 4353 B10R1.176 Cc1cc(ccc1F)S[13CH3] 62a_100011218330_200025704644 [1,1,0,0,0,0|1,0,0]=3 4354 B10R1.176 Cc1cc(ccc1F)S[13CH3] 62a_200025704644_100011218330 [1,1,0,0,0,0|1,0,0]=3 4355 B10R1.176 Cc1cc(ccc1I)N[13CH3] 34a_100000198070_200025704644 [1,1,0,0,0,0|1,0,0]=3 4356 B10R1.176 Cc1cc(ccc1I)N[13CH3] 7a_100000198070_200025704644 [1,1,0,0,0,0|1,0,0]=3 4357 B10R1.176 Cc1cc(ccc1I)O[13CH3] 34a_100000729255_200025704644 [1,1,0,0,0,0|1,0,0]=3 4358 B10R1.176 Cc1cc(ccc1I)O[13CH3] 7a_100000729255_200025704644 [1,1,0,0,0,0|1,0,0]=3 4359 B10R1.176 Cc1cc(ccc1N)O[13CH3] 34a_100000756630_200025704644 [1,1,0,0,0,0|1,0,0]=3 4360 B10R1.176 Cc1cc(ccc1N)O[13CH3] 7a_100000756630_200025704644 [1,1,0,0,0,0|1,0,0]=3 4361 B10R1.176 Cc1cc(ccc1N)S[13CH3] 62a_100000211769_200025704644 [1,1,0,0,0,0|1,0,0]=3 4362 B10R1.176 Cc1cc(ccc1N)S[13CH3] 62a_200025704644_100000211769 [1,1,0,0,0,0|1,0,0]=3 4363 B10R1.176 Cc1cc(ccc1O)C#N 271570a_203496583355_100000212329 [1,1,0,0,0,0|1,0,1]=4 4364 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [1,1,0,0,0,0|0,0,0]=2 4365 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [1,1,0,0,0,0|1,0,1]=4 4366 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [1,1,0,0,0,0|0,0,2]=4 4367 B10R1.176 Cc1cc(ccc1O)NN 271570a_203496583355_100000745493 [1,1,0,0,0,0|2,0,0]=4 4368 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [1,1,0,0,0,0|1,0,0]=3 4369 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [1,1,0,0,0,0|1,0,0]=3 4370 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [1,1,0,0,0,0|1,0,0]=3 4371 B10R1.176 Cc1cc(cnc1Br)O[13CH3] 34a_100012000486_200025704644 [1,1,0,0,0,0|2,0,0]=4 4372 B10R1.176 Cc1cc(cnc1Br)O[13CH3] 7a_100012000486_200025704644 [1,1,0,0,0,0|2,0,0]=4 4373 B10R1.176 Cc1cc(cnc1Br)S[13CH3] 62a_100009816107_200025704644 [1,1,0,0,0,0|2,0,0]=4 4374 B10R1.176 Cc1cc(cnc1Br)S[13CH3] 62a_200025704644_100009816107 [1,1,0,0,0,0|2,0,0]=4 4375 B10R1.176 Cc1cc(cnc1C)O[13CH3] 34a_100009854398_200025704644 [1,1,0,0,0,0|2,0,0]=4 4376 B10R1.176 Cc1cc(cnc1C)O[13CH3] 7a_100009854398_200025704644 [1,1,0,0,0,0|2,0,0]=4 4377 B10R1.176 Cc1cc(cnc1C)S[13CH3] 62a_100000697892_200025704644 [1,1,0,0,0,0|2,0,0]=4 4378 B10R1.176 Cc1cc(cnc1C)S[13CH3] 62a_200025704644_100000697892 [1,1,0,0,0,0|2,0,0]=4 4379 B10R1.176 Cc1cc(cnc1Cl)O[13CH3] 34a_100012002680_200025704644 [1,1,0,0,0,0|2,0,0]=4 4380 B10R1.176 Cc1cc(cnc1Cl)O[13CH3] 7a_100012002680_200025704644 [1,1,0,0,0,0|2,0,0]=4 4381 B10R1.176 Cc1cc(cnc1Cl)S[13CH3] 62a_100009922867_200025704644 [1,1,0,0,0,0|2,0,0]=4 4382 B10R1.176 Cc1cc(cnc1Cl)S[13CH3] 62a_200025704644_100009922867 [1,1,0,0,0,0|2,0,0]=4 4383 B10R1.176 Cc1cc(cnc1F)O[13CH3] 34a_100000094615_200025704644 [1,1,0,0,0,0|2,0,0]=4 4384 B10R1.176 Cc1cc(cnc1F)O[13CH3] 7a_100000094615_200025704644 [1,1,0,0,0,0|2,0,0]=4 4385 B10R1.176 Cc1cc(cnc1F)S[13CH3] 62a_100000709442_200025704644 [1,1,0,0,0,0|2,0,0]=4 4386 B10R1.176 Cc1cc(cnc1F)S[13CH3] 62a_200025704644_100000709442 [1,1,0,0,0,0|2,0,0]=4 4387 B10R1.176 Cc1cc(cnc1N)S[13CH3] 62a_100000684428_200025704644 [1,1,0,0,0,0|2,0,0]=4 4388 B10R1.176 Cc1cc(cnc1N)S[13CH3] 62a_200025704644_100000684428 [1,1,0,0,0,0|2,0,0]=4 4389 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [1,1,0,0,0,0|1,0,0]=3 4390 B10R1.176 Cc1cc(cnc1O)S[13CH3] 62a_100000685391_200025704644 [1,1,0,0,0,0|2,0,0]=4 4391 B10R1.176 Cc1cc(cnc1O)S[13CH3] 62a_200025704644_100000685391 [1,1,0,0,0,0|2,0,0]=4 4392 B10R1.176 Cc1cc(ncc1Br)O[13CH3] 34a_100000766222_200025704644 [1,1,0,0,0,0|2,0,0]=4 4393 B10R1.176 Cc1cc(ncc1Br)S[13CH3] 62a_100012356354_200025704644 [1,1,0,0,0,0|2,0,0]=4 4394 B10R1.176 Cc1cc(ncc1Br)S[13CH3] 62a_200025704644_100012356354 [1,1,0,0,0,0|2,0,0]=4 4395 B10R1.176 Cc1cc(ncc1Cl)O[13CH3] 34a_200000085746_200025704644 [1,1,0,0,0,0|2,0,0]=4 4396 B10R1.176 Cc1cc(ncc1F)S[13CH3] 62a_100009818257_200025704644 [1,1,0,0,0,0|2,0,0]=4 4397 B10R1.176 Cc1cc(ncc1F)S[13CH3] 62a_200025704644_100009818257 [1,1,0,0,0,0|2,0,0]=4 4398 B10R1.176 Cc1cc(ncc1N)S[13CH3] 62a_100000067204_200025704644 [1,1,0,0,0,0|2,0,0]=4 4399 B10R1.176 Cc1cc(ncc1N)S[13CH3] 62a_200025704644_100000067204 [1,1,0,0,0,0|2,0,0]=4 4400 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [1,1,0,0,0,0|1,0,0]=3 4401 B10R1.176 Cc1cc(ncc1O)S[13CH3] 62a_200025704644_100000692680 [1,1,0,0,0,0|2,0,0]=4 4402 B10R1.176 Cc1ccc(cc1Br)N[13CH3] 2230a_100000736455_200025704644 [1,1,0,0,0,0|2,0,0]=4 4403 B10R1.176 Cc1ccc(cc1Br)N[13CH3] 34a_100000736455_200025704644 [1,1,0,0,0,0|2,0,0]=4 4404 B10R1.176 Cc1ccc(cc1Br)N[13CH3] 7a_100000736455_200025704644 [1,1,0,0,0,0|2,0,0]=4 4405 B10R1.176 Cc1ccc(cc1Br)O[13CH3] 34a_100011380479_200025704644 [1,1,0,0,0,0|2,0,0]=4 4406 B10R1.176 Cc1ccc(cc1Br)O[13CH3] 7a_100011380479_200025704644 [1,1,0,0,0,0|2,0,0]=4 4407 B10R1.176 Cc1ccc(cc1Br)S[13CH3] 62a_100011847877_200025704644 [1,1,0,0,0,0|2,0,0]=4 4408 B10R1.176 Cc1ccc(cc1Br)S[13CH3] 62a_200025704644_100011847877 [1,1,0,0,0,0|2,0,0]=4 4409 B10R1.176 Cc1ccc(cc1C)N[13CH3] 2230a_100000724040_200025704644 [1,1,0,0,0,0|1,0,0]=3 4410 B10R1.176 Cc1ccc(cc1C)N[13CH3] 34a_100000724040_200025704644 [1,1,0,0,0,0|1,0,0]=3 4411 B10R1.176 Cc1ccc(cc1C)N[13CH3] 7a_100000724040_200025704644 [1,1,0,0,0,0|1,0,0]=3 4412 B10R1.176 Cc1ccc(cc1C)O[13CH3] 34a_100000210932_200025704644 [1,1,0,0,0,0|1,0,0]=3 4413 B10R1.176 Cc1ccc(cc1C)O[13CH3] 7a_100000210932_200025704644 [1,1,0,0,0,0|1,0,0]=3 4414 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_100011215607_200025704644 [1,1,0,0,0,0|1,0,0]=3 4415 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_200025704644_100011215607 [1,1,0,0,0,0|1,0,0]=3 4416 B10R1.176 Cc1ccc(cc1Cl)N[13CH3] 2230a_100000188892_200025704644 [1,1,0,0,0,0|2,0,0]=4 4417 B10R1.176 Cc1ccc(cc1Cl)N[13CH3] 34a_100000188892_200025704644 [1,1,0,0,0,0|2,0,0]=4 4418 B10R1.176 Cc1ccc(cc1Cl)N[13CH3] 7a_100000188892_200025704644 [1,1,0,0,0,0|2,0,0]=4 4419 B10R1.176 Cc1ccc(cc1Cl)O[13CH3] 34a_100011265682_200025704644 [1,1,0,0,0,0|2,0,0]=4 4420 B10R1.176 Cc1ccc(cc1Cl)O[13CH3] 7a_100011265682_200025704644 [1,1,0,0,0,0|2,0,0]=4 4421 B10R1.176 Cc1ccc(cc1Cl)S[13CH3] 62a_100011216363_200025704644 [1,1,0,0,0,0|2,0,0]=4 4422 B10R1.176 Cc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100011216363 [1,1,0,0,0,0|2,0,0]=4 4423 B10R1.176 Cc1ccc(cc1F)N[13CH3] 2230a_100000210958_200025704644 [1,1,0,0,0,0|2,0,0]=4 4424 B10R1.176 Cc1ccc(cc1F)N[13CH3] 34a_100000210958_200025704644 [1,1,0,0,0,0|2,0,0]=4 4425 B10R1.176 Cc1ccc(cc1F)N[13CH3] 7a_100000210958_200025704644 [1,1,0,0,0,0|2,0,0]=4 4426 B10R1.176 Cc1ccc(cc1F)O[13CH3] 34a_100000722560_200025704644 [1,1,0,0,0,0|2,0,0]=4 4427 B10R1.176 Cc1ccc(cc1F)O[13CH3] 7a_100000722560_200025704644 [1,1,0,0,0,0|2,0,0]=4 4428 B10R1.176 Cc1ccc(cc1F)S[13CH3] 62a_100000720648_200025704644 [1,1,0,0,0,0|2,0,0]=4 4429 B10R1.176 Cc1ccc(cc1F)S[13CH3] 62a_200025704644_100000720648 [1,1,0,0,0,0|2,0,0]=4 4430 B10R1.176 Cc1ccc(cc1I)N[13CH3] 34a_100000184131_200025704644 [1,1,0,0,0,0|2,0,0]=4 4431 B10R1.176 Cc1ccc(cc1I)N[13CH3] 7a_100000184131_200025704644 [1,1,0,0,0,0|2,0,0]=4 4432 B10R1.176 Cc1ccc(cc1N)O[13CH3] 34a_100011216113_200025704644 [1,1,0,0,0,0|2,0,0]=4 4433 B10R1.176 Cc1ccc(cc1N)O[13CH3] 7a_100011216113_200025704644 [1,1,0,0,0,0|2,0,0]=4 4434 B10R1.176 Cc1ccc(cc1N)S[13CH3] 62a_100000761890_200025704644 [1,1,0,0,0,0|2,0,0]=4 4435 B10R1.176 Cc1ccc(cc1N)S[13CH3] 62a_200025704644_100000761890 [1,1,0,0,0,0|2,0,0]=4 4436 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,1,0,0,0,0|1,0,0]=3 4437 B10R1.176 Cc1ccc(cc1O)N[13CH3] 34a_100000759471_200025704644 [1,1,0,0,0,0|2,0,0]=4 4438 B10R1.176 Cc1ccc(cc1O)N[13CH3] 7a_100000759471_200025704644 [1,1,0,0,0,0|2,0,0]=4 4439 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_100000685420_200025704644 [1,1,0,0,0,0|2,0,0]=4 4440 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_200025704644_100000685420 [1,1,0,0,0,0|2,0,0]=4 4441 B10R1.176 Cc1ccc(nc1C)S[13CH3] 62a_100000103781_200025704644 [1,1,0,0,0,0|2,0,0]=4 4442 B10R1.176 Cc1ccc(nc1C)S[13CH3] 62a_200025704644_100000103781 [1,1,0,0,0,0|2,0,0]=4 4443 B10R1.176 Cc1cnc(cc1C)S[13CH3] 62a_100009850809_200025704644 [1,1,0,0,0,0|2,0,0]=4 4444 B10R1.176 Cc1cnc(cc1C)S[13CH3] 62a_200025704644_100009850809 [1,1,0,0,0,0|2,0,0]=4 4445 B10R1.176 Cc1cnc(cc1O)C=O 271570a_203496583355_100010174032 [1,1,0,0,0,0|2,0,0]=4 4446 B10R1.176 Cc1nc(ccc1Br)O[13CH3] 34a_100000691680_200025704644 [1,1,0,0,0,0|2,0,0]=4 4447 B10R1.176 Cc1nc(ccc1Br)S[13CH3] 62a_100012360386_200025704644 [1,1,0,0,0,0|2,0,0]=4 4448 B10R1.176 Cc1nc(ccc1Br)S[13CH3] 62a_200025704644_100012360386 [1,1,0,0,0,0|2,0,0]=4 4449 B10R1.176 Cc1nc(ccc1Cl)O[13CH3] 34a_200009863735_200025704644 [1,1,0,0,0,0|2,0,0]=4 4450 B10R1.176 Cc1nc(ccc1F)S[13CH3] 62a_100009814307_200025704644 [1,1,0,0,0,0|2,0,0]=4 4451 B10R1.176 Cc1nc(ccc1F)S[13CH3] 62a_200025704644_100009814307 [1,1,0,0,0,0|2,0,0]=4 4452 B10R1.176 Cc1nc(ccc1N)S[13CH3] 62a_100000720120_200025704644 [1,1,0,0,0,0|2,0,0]=4 4453 B10R1.176 Cc1nc(ccc1N)S[13CH3] 62a_200025704644_100000720120 [1,1,0,0,0,0|2,0,0]=4 4454 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [1,1,0,0,0,0|1,0,0]=3 4455 B10R1.176 Cc1nc(ccc1O)S[13CH3] 62a_100010233687_200025704644 [1,1,0,0,0,0|2,0,0]=4 4456 B10R1.176 Cc1nc(ccc1O)S[13CH3] 62a_200025704644_100010233687 [1,1,0,0,0,0|2,0,0]=4 4457 B10R1.176 Cn1cc(ccc1=O)S[13CH3] 62a_100011245003_200025704644 [1,1,0,0,0,0|2,0,0]=4 4458 B10R1.176 Cn1cc(ccc1=O)S[13CH3] 62a_200025704644_100011245003 [1,1,0,0,0,0|2,0,0]=4 4459 B10R1.176 Nc1ncc(cc1O)C=O 271570a_203496583355_100010064899 [1,1,0,0,0,0|2,0,0]=4 4460 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [1,1,0,0,0,0|1,0,0]=3 4461 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,1,0,0,0,0|1,0,0]=3 4462 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,1,0,0,0,0|1,0,0]=3 4463 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,1,0,0,0,0|1,0,0]=3 4464 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,1,0,0,0,0|1,0,0]=3 4465 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,1,0,0,0,0|1,0,0]=3 4466 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [1,1,0,0,0,0|2,0,0]=4 4467 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [1,1,0,0,0,0|2,0,0]=4 4468 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Br 2230a_100011306057_200025704644 [1,1,0,0,0,0|2,0,0]=4 4469 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Br 34a_100011306057_200025704644 [1,1,0,0,0,0|2,0,0]=4 4470 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Br 7a_100011306057_200025704644 [1,1,0,0,0,0|2,0,0]=4 4471 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Cl 2230a_100000686031_200025704644 [1,1,0,0,0,0|2,0,0]=4 4472 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Cl 34a_100000686031_200025704644 [1,1,0,0,0,0|2,0,0]=4 4473 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)F 2230a_100000760356_200025704644 [1,1,0,0,0,0|2,0,0]=4 4474 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)F 34a_100000760356_200025704644 [1,1,0,0,0,0|2,0,0]=4 4475 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)F 7a_100000760356_200025704644 [1,1,0,0,0,0|2,0,0]=4 4476 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)I 34a_100000750458_200025704644 [1,1,0,0,0,0|2,0,0]=4 4477 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)O 34a_100011534360_200025704644 [1,1,0,0,0,0|2,0,0]=4 4478 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Br 2230a_100000687081_200025704644 [1,1,0,0,0,0|2,0,0]=4 4479 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Br 34a_100000687081_200025704644 [1,1,0,0,0,0|2,0,0]=4 4480 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Br 7a_100000687081_200025704644 [1,1,0,0,0,0|2,0,0]=4 4481 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Cl 2230a_100000184108_200025704644 [1,1,0,0,0,0|2,0,0]=4 4482 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Cl 34a_100000184108_200025704644 [1,1,0,0,0,0|2,0,0]=4 4483 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)F 2230a_100000211060_200025704644 [1,1,0,0,0,0|2,0,0]=4 4484 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)F 34a_100000211060_200025704644 [1,1,0,0,0,0|2,0,0]=4 4485 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)F 7a_100000211060_200025704644 [1,1,0,0,0,0|2,0,0]=4 4486 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)I 34a_100000761885_200025704644 [1,1,0,0,0,0|2,0,0]=4 4487 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)O 34a_100000744943_200025704644 [1,1,0,0,0,0|2,0,0]=4 4488 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Br 2230a_100000759894_200025704644 [1,1,0,0,0,0|2,0,0]=4 4489 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Br 34a_100000759894_200025704644 [1,1,0,0,0,0|2,0,0]=4 4490 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Br 7a_100000759894_200025704644 [1,1,0,0,0,0|2,0,0]=4 4491 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Cl 2230a_100000739366_200025704644 [1,1,0,0,0,0|2,0,0]=4 4492 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Cl 34a_100000739366_200025704644 [1,1,0,0,0,0|2,0,0]=4 4493 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Cl 7a_100000739366_200025704644 [1,1,0,0,0,0|2,0,0]=4 4494 B10R1.176 [13CH3]Nc1ccc(c(c1)F)F 2230a_100000210724_200025704644 [1,1,0,0,0,0|2,0,0]=4 4495 B10R1.176 [13CH3]Nc1ccc(c(c1)F)F 34a_100000210724_200025704644 [1,1,0,0,0,0|2,0,0]=4 4496 B10R1.176 [13CH3]Nc1ccc(c(c1)F)F 7a_100000210724_200025704644 [1,1,0,0,0,0|2,0,0]=4 4497 B10R1.176 [13CH3]Nc1ccc(c(c1)F)I 34a_100011356925_200025704644 [1,1,0,0,0,0|2,0,0]=4 4498 B10R1.176 [13CH3]Nc1ccc(c(c1)F)I 7a_100011356925_200025704644 [1,1,0,0,0,0|2,0,0]=4 4499 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 34a_100011220035_200025704644 [1,1,0,0,0,0|2,0,0]=4 4500 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 7a_100011220035_200025704644 [1,1,0,0,0,0|2,0,0]=4 4501 B10R1.176 [13CH3]Nc1ccc(c(c1)I)Br 34a_100000750459_200025704644 [1,1,0,0,0,0|2,0,0]=4 4502 B10R1.176 [13CH3]Nc1ccc(c(c1)I)Cl 34a_100012360549_200025704644 [1,1,0,0,0,0|2,0,0]=4 4503 B10R1.176 [13CH3]Nc1ccc(c(c1)I)F 34a_114828291077_200025704644 [1,1,0,0,0,0|2,0,0]=4 4504 B10R1.176 [13CH3]Nc1ccc(c(c1)I)F 7a_114828291077_200025704644 [1,1,0,0,0,0|2,0,0]=4 4505 B10R1.176 [13CH3]Nc1ccc(c(c1)O)Cl 34a_100011934209_200025704644 [1,1,0,0,0,0|2,0,0]=4 4506 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 34a_100012017398_200025704644 [1,1,0,0,0,0|2,0,0]=4 4507 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 7a_100012017398_200025704644 [1,1,0,0,0,0|2,0,0]=4 4508 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [1,1,0,0,0,0|2,0,0]=4 4509 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)Cl 34a_100011933957_200025704644 [1,1,0,0,0,0|2,0,0]=4 4510 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)Cl 7a_100011933957_200025704644 [1,1,0,0,0,0|2,0,0]=4 4511 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)F 34a_100000693481_200025704644 [1,1,0,0,0,0|2,0,0]=4 4512 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)F 7a_100000693481_200025704644 [1,1,0,0,0,0|2,0,0]=4 4513 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)I 34a_100000701344_200025704644 [1,1,0,0,0,0|2,0,0]=4 4514 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)I 7a_100000701344_200025704644 [1,1,0,0,0,0|2,0,0]=4 4515 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)N 34a_100012001276_200025704644 [1,1,0,0,0,0|2,0,0]=4 4516 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)N 7a_100012001276_200025704644 [1,1,0,0,0,0|2,0,0]=4 4517 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Br 34a_100011215161_200025704644 [1,1,0,0,0,0|2,0,0]=4 4518 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Br 7a_100011215161_200025704644 [1,1,0,0,0,0|2,0,0]=4 4519 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Cl 34a_100000211054_200025704644 [1,1,0,0,0,0|2,0,0]=4 4520 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Cl 7a_100000211054_200025704644 [1,1,0,0,0,0|2,0,0]=4 4521 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)F 34a_100000211030_200025704644 [1,1,0,0,0,0|2,0,0]=4 4522 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)F 7a_100000211030_200025704644 [1,1,0,0,0,0|2,0,0]=4 4523 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)I 34a_100000047559_200025704644 [1,1,0,0,0,0|2,0,0]=4 4524 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)I 7a_100000047559_200025704644 [1,1,0,0,0,0|2,0,0]=4 4525 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)N 34a_100011215599_200025704644 [1,1,0,0,0,0|2,0,0]=4 4526 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)N 7a_100011215599_200025704644 [1,1,0,0,0,0|2,0,0]=4 4527 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Br 34a_100000755031_200025704644 [1,1,0,0,0,0|2,0,0]=4 4528 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Br 7a_100000755031_200025704644 [1,1,0,0,0,0|2,0,0]=4 4529 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Cl 34a_100000691581_200025704644 [1,1,0,0,0,0|2,0,0]=4 4530 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Cl 7a_100000691581_200025704644 [1,1,0,0,0,0|2,0,0]=4 4531 B10R1.176 [13CH3]Oc1ccc(c(c1)F)F 34a_100000181275_200025704644 [1,1,0,0,0,0|2,0,0]=4 4532 B10R1.176 [13CH3]Oc1ccc(c(c1)F)F 7a_100000181275_200025704644 [1,1,0,0,0,0|2,0,0]=4 4533 B10R1.176 [13CH3]Oc1ccc(c(c1)F)I 34a_100009990212_200025704644 [1,1,0,0,0,0|2,0,0]=4 4534 B10R1.176 [13CH3]Oc1ccc(c(c1)F)I 7a_100009990212_200025704644 [1,1,0,0,0,0|2,0,0]=4 4535 B10R1.176 [13CH3]Oc1ccc(c(c1)F)N 34a_100000759473_200025704644 [1,1,0,0,0,0|2,0,0]=4 4536 B10R1.176 [13CH3]Oc1ccc(c(c1)F)N 7a_100000759473_200025704644 [1,1,0,0,0,0|2,0,0]=4 4537 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Br 34a_100012339312_200025704644 [1,1,0,0,0,0|2,0,0]=4 4538 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Br 7a_100012339312_200025704644 [1,1,0,0,0,0|2,0,0]=4 4539 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Cl 34a_100000049588_200025704644 [1,1,0,0,0,0|2,0,0]=4 4540 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Cl 7a_100000049588_200025704644 [1,1,0,0,0,0|2,0,0]=4 4541 B10R1.176 [13CH3]Oc1ccc(c(c1)I)N 34a_100010084370_200025704644 [1,1,0,0,0,0|2,0,0]=4 4542 B10R1.176 [13CH3]Oc1ccc(c(c1)I)N 7a_100010084370_200025704644 [1,1,0,0,0,0|2,0,0]=4 4543 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Br 34a_100011999798_200025704644 [1,1,0,0,0,0|2,0,0]=4 4544 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Br 7a_100011999798_200025704644 [1,1,0,0,0,0|2,0,0]=4 4545 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Cl 34a_100011934297_200025704644 [1,1,0,0,0,0|2,0,0]=4 4546 B10R1.176 [13CH3]Oc1ccc(c(c1)N)F 34a_100012017239_200025704644 [1,1,0,0,0,0|2,0,0]=4 4547 B10R1.176 [13CH3]Oc1ccc(c(c1)N)F 7a_100012017239_200025704644 [1,1,0,0,0,0|2,0,0]=4 4548 B10R1.176 [13CH3]Oc1ccc(c(c1)N)N 34a_100025771000_200025704644 [1,1,0,0,0,0|2,0,0]=4 4549 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)Br 62a_100012356285_200025704644 [1,1,0,0,0,0|2,0,0]=4 4550 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)Br 62a_200025704644_100012356285 [1,1,0,0,0,0|2,0,0]=4 4551 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)Cl 62a_100012353702_200025704644 [1,1,0,0,0,0|2,0,0]=4 4552 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)Cl 62a_200025704644_100012353702 [1,1,0,0,0,0|2,0,0]=4 4553 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)F 62a_100012047266_200025704644 [1,1,0,0,0,0|2,0,0]=4 4554 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)F 62a_200025704644_100012047266 [1,1,0,0,0,0|2,0,0]=4 4555 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)N 62a_100000750455_200025704644 [1,1,0,0,0,0|2,0,0]=4 4556 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)N 62a_200025704644_100000750455 [1,1,0,0,0,0|2,0,0]=4 4557 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_100012361655_200025704644 [1,1,0,0,0,0|2,0,0]=4 4558 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_200025704644_100012361655 [1,1,0,0,0,0|2,0,0]=4 4559 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)Br 62a_100012047281_200025704644 [1,1,0,0,0,0|2,0,0]=4 4560 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)Br 62a_200025704644_100012047281 [1,1,0,0,0,0|2,0,0]=4 4561 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)Cl 62a_100011214914_200025704644 [1,1,0,0,0,0|2,0,0]=4 4562 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)Cl 62a_200025704644_100011214914 [1,1,0,0,0,0|2,0,0]=4 4563 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)F 62a_100011215976_200025704644 [1,1,0,0,0,0|2,0,0]=4 4564 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)F 62a_200025704644_100011215976 [1,1,0,0,0,0|2,0,0]=4 4565 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)N 62a_100011218065_200025704644 [1,1,0,0,0,0|2,0,0]=4 4566 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)N 62a_200025704644_100011218065 [1,1,0,0,0,0|2,0,0]=4 4567 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_100012360047_200025704644 [1,1,0,0,0,0|2,0,0]=4 4568 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_200025704644_100012360047 [1,1,0,0,0,0|2,0,0]=4 4569 B10R1.176 [13CH3]Sc1ccc(c(c1)F)Br 62a_100000685389_200025704644 [1,1,0,0,0,0|2,0,0]=4 4570 B10R1.176 [13CH3]Sc1ccc(c(c1)F)Br 62a_200025704644_100000685389 [1,1,0,0,0,0|2,0,0]=4 4571 B10R1.176 [13CH3]Sc1ccc(c(c1)F)Cl 62a_100011216805_200025704644 [1,1,0,0,0,0|2,0,0]=4 4572 B10R1.176 [13CH3]Sc1ccc(c(c1)F)Cl 62a_200025704644_100011216805 [1,1,0,0,0,0|2,0,0]=4 4573 B10R1.176 [13CH3]Sc1ccc(c(c1)F)F 62a_100000703953_200025704644 [1,1,0,0,0,0|2,0,0]=4 4574 B10R1.176 [13CH3]Sc1ccc(c(c1)F)F 62a_200025704644_100000703953 [1,1,0,0,0,0|2,0,0]=4 4575 B10R1.176 [13CH3]Sc1ccc(c(c1)F)N 62a_100011215594_200025704644 [1,1,0,0,0,0|2,0,0]=4 4576 B10R1.176 [13CH3]Sc1ccc(c(c1)F)N 62a_200025704644_100011215594 [1,1,0,0,0,0|2,0,0]=4 4577 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_100000185481_200025704644 [1,1,0,0,0,0|2,0,0]=4 4578 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_200025704644_100000185481 [1,1,0,0,0,0|2,0,0]=4 4579 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Br 62a_100000750456_200025704644 [1,1,0,0,0,0|2,0,0]=4 4580 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Br 62a_200025704644_100000750456 [1,1,0,0,0,0|2,0,0]=4 4581 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Cl 62a_200000761891_200025704644 [1,1,0,0,0,0|2,0,0]=4 4582 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Cl 62a_200025704644_200000761891 [1,1,0,0,0,0|2,0,0]=4 4583 B10R1.176 [13CH3]Sc1ccc(c(c1)N)F 62a_100000740924_200025704644 [1,1,0,0,0,0|2,0,0]=4 4584 B10R1.176 [13CH3]Sc1ccc(c(c1)N)F 62a_200025704644_100000740924 [1,1,0,0,0,0|2,0,0]=4 4585 B10R1.176 [13CH3]Sc1ccc(c(c1)N)N 62a_100000741789_200025704644 [1,1,0,0,0,0|2,0,0]=4 4586 B10R1.176 [13CH3]Sc1ccc(c(c1)N)N 62a_200025704644_100011534411 [1,1,0,0,0,0|2,0,0]=4 4587 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_100000752626_200025704644 [1,1,0,0,0,0|2,0,0]=4 4588 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_200025704644_100000752626 [1,1,0,0,0,0|2,0,0]=4 4589 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_100012356990_200025704644 [1,1,0,0,0,0|2,0,0]=4 4590 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_200025704644_100012356990 [1,1,0,0,0,0|2,0,0]=4 4591 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_100011356854_200025704644 [1,1,0,0,0,0|2,0,0]=4 4592 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_200025704644_100011356854 [1,1,0,0,0,0|2,0,0]=4 4593 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_100000686035_200025704644 [1,1,0,0,0,0|2,0,0]=4 4594 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_200025704644_100000686035 [1,1,0,0,0,0|2,0,0]=4 4595 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_100000739049_200025704644 [1,1,0,0,0,0|2,0,0]=4 4596 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_200025704644_100000739049 [1,1,0,0,0,0|2,0,0]=4 4597 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [1,1,0,0,0,0|2,0,0]=4 4598 B10R1.13 C=C(C)c1cc[n+](cc1)[O-] 271570a_100000694244_100000039755 [1,1,0,0,0,0|2,0,0]=4 4599 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [1,1,0,0,0,0|2,0,0]=4 4600 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,1,0,0,0,0|1,0,0]=3 4601 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,1,0,0,0,0|1,0,0]=3 4602 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,1,0,0,0,0|1,0,0]=3 4603 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,1,0,0,0,0|1,0,0]=3 4604 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,1,0,0,0,0|1,0,0]=3 4605 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,1,0,0,0,0|1,0,0]=3 4606 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,1,0,0,0,0|1,0,0]=3 4607 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [1,1,0,0,0,0|2,0,0]=4 4608 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,1,0,0,0,0|2,0,0]=4 4609 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [1,1,0,0,0,0|2,0,0]=4 4610 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [1,1,0,0,0,0|2,0,0]=4 4611 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [1,1,0,0,0,0|2,0,0]=4 4612 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [1,1,0,0,0,0|2,0,0]=4 4613 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [1,1,0,0,0,0|2,0,0]=4 4614 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,1,0,0,0,0|2,0,0]=4 4615 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [1,1,0,0,0,0|2,0,0]=4 4616 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [1,1,0,0,0,0|2,0,0]=4 4617 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [1,1,0,0,0,0|2,0,0]=4 4618 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,1,0,0,0,0|0,0,0]=2 4619 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,1,0,0,0,0|0,0,0]=2 4620 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,1,0,0,0,0|0,0,0]=2 4621 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,1,0,0,0,0|0,0,0]=2 4622 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,1,0,0,0,0|0,0,0]=2 4623 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,1,0,0,0,0|0,0,0]=2 4624 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,1,0,0,0,0|0,0,0]=2 4625 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,1,0,0,0,0|1,0,0]=3 4626 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,1,0,0,0,0|1,0,0]=3 4627 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [1,1,0,0,0,0|2,0,0]=4 4628 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [1,1,0,0,0,0|2,0,0]=4 4629 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [1,1,0,0,0,0|2,0,0]=4 4630 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,1,0,0,0,0|1,0,1]=4 4631 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,1,0,0,0,0|0,0,2]=4 4632 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [1,1,0,0,0,0|2,0,0]=4 4633 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [1,1,0,0,0,0|2,0,0]=4 4634 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [1,1,0,0,0,0|2,0,0]=4 4635 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [1,1,0,0,0,0|2,0,0]=4 4636 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [1,1,0,0,0,0|2,0,0]=4 4637 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [1,1,0,0,0,0|2,0,0]=4 4638 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [1,1,0,0,0,0|2,0,0]=4 4639 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [1,1,0,0,0,0|2,0,0]=4 4640 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [1,1,0,0,0,0|2,0,0]=4 4641 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [1,1,0,0,0,0|2,0,0]=4 4642 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [1,1,0,0,0,0|2,0,0]=4 4643 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [1,1,0,0,0,0|2,0,0]=4 4644 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,1,0,0,0,0|2,0,0]=4 4645 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,1,0,0,0,0|2,0,0]=4 4646 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,1,0,0,0,0|2,0,0]=4 4647 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [1,1,0,0,0,0|2,0,0]=4 4648 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [1,1,0,0,0,0|2,0,0]=4 4649 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [1,1,0,0,0,0|2,0,0]=4 4650 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [1,1,0,0,0,0|2,0,0]=4 4651 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [1,1,0,0,0,0|2,0,0]=4 4652 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [1,1,0,0,0,0|2,0,0]=4 4653 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [1,1,0,0,0,0|2,0,0]=4 4654 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [1,1,0,0,0,0|2,0,0]=4 4655 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [1,1,0,0,0,0|2,0,0]=4 4656 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [1,1,0,0,0,0|2,0,0]=4 4657 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [1,1,0,0,0,0|2,0,0]=4 4658 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [1,1,0,0,0,0|2,0,0]=4 4659 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,1,0,0,0,0|2,0,0]=4 4660 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,1,0,0,0,0|2,0,0]=4 4661 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,1,0,0,0,0|1,0,0]=3 4662 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,1,0,0,0,0|1,0,1]=4 4663 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,1,0,0,0,0|1,0,1]=4 4664 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,1,0,0,0,0|0,0,0]=2 4665 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [1,1,0,0,0,0|2,0,0]=4 4666 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [1,1,0,0,0,0|2,0,0]=4 4667 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [1,1,0,0,0,0|2,0,0]=4 4668 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [1,1,0,0,0,0|2,0,0]=4 4669 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [1,1,0,0,0,0|2,0,0]=4 4670 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [1,1,0,0,0,0|2,0,0]=4 4671 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,1,0,0,0,0|1,0,0]=3 4672 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,1,0,0,0,0|2,0,0]=4 4673 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,1,0,0,0,0|2,0,0]=4 4674 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,1,0,0,0,0|0,0,0]=2 4675 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,1,0,0,0,0|0,0,0]=2 4676 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,1,0,0,0,0|0,0,0]=2 4677 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,1,0,0,0,0|0,0,0]=2 4678 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,1,0,0,0,0|0,0,0]=2 4679 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,1,0,0,0,0|0,1,1]=4 4680 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,1,0,0,0,0|0,1,1]=4 4681 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|0,0,0]=2 4682 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,1,0,0,0,0|2,0,0]=4 4683 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,1,0,0,0,0|2,0,0]=4 4684 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,1,0,0,0,0|2,0,0]=4 4685 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,1,0,0,0,0|2,0,0]=4 4686 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,1,0,0,0,0|2,0,0]=4 4687 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,1,0,0,0,0|2,0,0]=4 4688 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,1,0,0,0,0|2,0,0]=4 4689 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,1,0,0,0,0|2,0,0]=4 4690 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,1,0,0,0,0|2,0,0]=4 4691 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [1,1,0,0,0,0|2,0,0]=4 4692 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [1,1,0,0,0,0|2,0,0]=4 4693 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|0,0,0]=2 4694 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|0,0,0]=2 4695 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|0,0,0]=2 4696 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|0,0,0]=2 4697 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,1,0,0,0,0|1,0,1]=4 4698 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,1,0,0,0,0|1,0,1]=4 4699 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,1,0,0,0,0|1,0,1]=4 4700 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,1,0,0,0,0|1,0,1]=4 4701 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,1,0,0,0,0|1,0,1]=4 4702 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|0,0,2]=4 4703 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|0,0,2]=4 4704 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|0,0,2]=4 4705 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,1,0,0,0,0|0,1,1]=4 4706 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,1,0,0,0,0|0,1,1]=4 4707 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,1,0,0,0,0|1,0,1]=4 4708 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|0,0,2]=4 4709 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|0,0,2]=4 4710 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,1,0,0,0,0|0,0,0]=2 4711 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [1,1,0,0,0,0|2,0,0]=4 4712 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [1,1,0,0,0,0|2,0,0]=4 4713 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [1,1,0,0,0,0|2,0,0]=4 4714 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [1,1,0,0,0,0|2,0,0]=4 4715 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [1,1,0,0,0,0|2,0,0]=4 4716 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,1,0,0,0,0|1,0,0]=3 4717 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,1,0,0,0,0|1,0,0]=3 4718 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,1,0,0,0,0|1,0,0]=3 4719 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,1,0,0,0,0|1,0,0]=3 4720 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,1,0,0,0,0|1,0,0]=3 4721 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,1,0,0,0,0|1,0,0]=3 4722 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [1,1,0,0,0,0|2,0,0]=4 4723 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [1,1,0,0,0,0|2,0,0]=4 4724 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [1,1,0,0,0,0|2,0,0]=4 4725 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [1,1,0,0,0,0|2,0,0]=4 4726 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [1,1,0,0,0,0|2,0,0]=4 4727 B10R1.61 C=C(C)c1ccncc1Br 271570a_100000694244_100000726257 [1,1,0,0,0,0|2,0,0]=4 4728 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [1,1,0,0,0,0|2,0,0]=4 4729 B10R1.61 C=C(C)c1ccncc1Cl 271570a_100000694244_100000708259 [1,1,0,0,0,0|2,0,0]=4 4730 B10R1.61 C=C(C)c1ccncc1F 271570a_100000694244_100000047030 [1,1,0,0,0,0|2,0,0]=4 4731 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [1,1,0,0,0,0|2,0,0]=4 4732 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [1,1,0,0,0,0|2,0,0]=4 4733 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [1,1,0,0,0,0|2,0,0]=4 4734 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [1,1,0,0,0,0|2,0,0]=4 4735 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [1,1,0,0,0,0|2,0,0]=4 4736 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [1,1,0,0,0,0|2,0,0]=4 4737 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [1,1,0,0,0,0|2,0,0]=4 4738 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [1,1,0,0,0,0|2,0,0]=4 4739 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [1,1,0,0,0,0|2,0,0]=4 4740 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [1,1,0,0,0,0|2,0,0]=4 4741 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [1,1,0,0,0,0|2,0,0]=4 4742 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [1,1,0,0,0,0|2,0,0]=4 4743 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [1,1,0,0,0,0|2,0,0]=4 4744 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,1,0,0,0,0|0,0,0]=2 4745 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,1,0,0,0,0|0,0,0]=2 4746 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,1,0,0,0,0|0,0,0]=2 4747 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,1,0,0,0,0|0,0,0]=2 4748 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,1,0,0,0,0|0,0,0]=2 4749 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,1,0,0,0,0|0,0,0]=2 4750 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,1,0,0,0,0|0,0,0]=2 4751 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,1,0,0,0,0|0,0,0]=2 4752 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,1,0,0,0,0|1,0,0]=3 4753 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,1,0,0,0,0|1,0,0]=3 4754 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,1,0,0,0,0|1,0,0]=3 4755 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,1,0,0,0,0|1,0,0]=3 4756 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [1,1,0,0,0,0|2,0,0]=4 4757 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [1,1,0,0,0,0|1,0,1]=4 4758 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [1,1,0,0,0,0|1,0,1]=4 4759 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,1,0,0,0,0|0,0,2]=4 4760 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [1,1,0,0,0,0|2,0,0]=4 4761 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [1,1,0,0,0,0|2,0,0]=4 4762 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [1,1,0,0,0,0|2,0,0]=4 4763 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [1,1,0,0,0,0|2,0,0]=4 4764 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [1,1,0,0,0,0|2,0,0]=4 4765 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [1,1,0,0,0,0|2,0,0]=4 4766 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 4767 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 4768 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 4769 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 4770 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [1,1,0,0,0,0|2,0,0]=4 4771 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [1,1,0,0,0,0|2,0,0]=4 4772 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [1,1,0,0,0,0|2,0,0]=4 4773 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [1,1,0,0,0,0|2,0,0]=4 4774 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [1,1,0,0,0,0|2,0,0]=4 4775 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [1,1,0,0,0,0|2,0,0]=4 4776 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [1,1,0,0,0,0|2,0,0]=4 4777 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [1,1,0,0,0,0|2,0,0]=4 4778 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 4779 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 4780 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 4781 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 4782 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [1,1,0,0,0,0|2,0,0]=4 4783 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,1,0,0,0,0|1,0,0]=3 4784 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,1,0,0,0,0|0,0,0]=2 4785 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [1,1,0,0,0,0|2,0,0]=4 4786 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [1,1,0,0,0,0|2,0,0]=4 4787 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [1,1,0,0,0,0|2,0,0]=4 4788 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [1,1,0,0,0,0|2,0,0]=4 4789 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [1,1,0,0,0,0|2,0,0]=4 4790 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [1,1,0,0,0,0|2,0,0]=4 4791 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,1,0,0,0,0|1,0,0]=3 4792 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,1,0,0,0,0|2,0,0]=4 4793 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [1,1,0,0,0,0|2,0,0]=4 4794 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,1,0,0,0,0|2,0,0]=4 4795 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [1,1,0,0,0,0|2,0,0]=4 4796 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,1,0,0,0,0|0,0,0]=2 4797 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,1,0,0,0,0|0,0,0]=2 4798 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,1,0,0,0,0|0,0,0]=2 4799 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,1,0,0,0,0|0,0,0]=2 4800 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,1,0,0,0,0|0,0,0]=2 4801 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,1,0,0,0,0|0,0,0]=2 4802 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,1,0,0,1,0|2,0,0]=4 4803 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,1,0,0,1,0|2,0,0]=4 4804 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,1,0,0,1,0|2,0,0]=4 4805 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,1,0,0,1,0|2,0,0]=4 4806 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,1,0,0,1,0|2,0,0]=4 4807 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,1,0,0,1,0|2,0,0]=4 4808 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,1,0,0,1,0|2,0,0]=4 4809 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,1,0,0,1,0|2,0,0]=4 4810 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,1,0,0,1,0|2,0,0]=4 4811 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,1,0,0,1,0|2,0,0]=4 4812 B10R1.31 C=C(C)c1ccc(o1)CN 271570a_100000694244_100000708654 [0,1,0,0,1,0|2,0,0]=4 4813 B10R1.31 C=C(C)c1ccc(o1)CO 271570a_100000694244_100000246276 [0,1,0,0,1,0|2,0,0]=4 4814 B10R1.31 C=C(C)c1ccc(s1)CC 271570a_100000694244_100009844052 [0,1,0,0,1,0|2,0,0]=4 4815 B10R1.31 C=C(C)c1ccc(s1)CN 271570a_100000694244_100000737305 [0,1,0,0,1,0|2,0,0]=4 4816 B10R1.31 C=C(C)c1ccc(s1)CO 271570a_100000694244_100000246291 [0,1,0,0,1,0|2,0,0]=4 4817 B10R1.31 C=C(C)c1csc(c1)CC 271570a_100000694244_100009846239 [0,1,0,0,1,0|2,0,0]=4 4818 B10R1.31 C=C(C)c1csc(c1)CO 271570a_100000694244_100000238369 [0,1,0,0,1,0|2,0,0]=4 4819 B10R1.31 C=C(C)c1csc(c1)SC 271570a_100000694244_200010256830 [0,1,0,0,1,0|2,0,0]=4 4820 B10R1.31 C=Cc1cc(cs1)C(=O)C 271570a_100011290941_200012344231 [0,1,0,0,1,0|1,0,1]=4 4821 B10R1.31 C=Cc1ccc([nH]1)C(=O)C 271570a_100011290941_200010494458 [0,1,0,0,1,0|1,0,1]=4 4822 B10R1.31 C=Cc1ccc(o1)C(=O)C 271570a_100011290941_100000229899 [0,1,0,0,1,0|1,0,1]=4 4823 B10R1.31 C=Cc1ccc(s1)C(=O)C 271570a_100011290941_100000183331 [0,1,0,0,1,0|1,0,1]=4 4824 B10R1.31 C=Cc1csc(c1)C(=O)C 271570a_100011290941_100000718618 [0,1,0,0,1,0|1,0,1]=4 4825 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [0,1,0,0,1,0|1,0,0]=3 4826 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [0,1,0,0,1,0|1,0,0]=3 4827 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [0,1,0,0,1,0|1,0,0]=3 4828 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [0,1,0,0,1,0|1,0,0]=3 4829 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [0,1,0,0,1,0|1,0,0]=3 4830 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [0,1,0,0,1,0|1,0,0]=3 4831 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200010173910_200025704644 [0,1,0,0,1,0|2,0,0]=4 4832 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200025704644_200010173910 [0,1,0,0,1,0|2,0,0]=4 4833 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [0,1,0,0,1,0|1,0,0]=3 4834 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [0,1,0,0,1,0|1,0,0]=3 4835 B10R1.31 CC(=O)c1nc(cs1)S[13CH3] 62a_100010231720_200025704644 [0,1,0,0,1,0|2,0,0]=4 4836 B10R1.31 CC(=O)c1nc(cs1)S[13CH3] 62a_200025704644_100010231720 [0,1,0,0,1,0|2,0,0]=4 4837 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_100000693680_200025704644 [0,1,0,0,1,0|2,0,0]=4 4838 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_200025704644_100000693680 [0,1,0,0,1,0|2,0,0]=4 4839 B10R1.31 CC(=O)n1cc(cn1)S[13CH3] 62a_100010205889_200025704644 [0,1,0,0,1,0|2,0,0]=4 4840 B10R1.31 CC(=O)n1cc(cn1)S[13CH3] 62a_200025704644_100010205889 [0,1,0,0,1,0|2,0,0]=4 4841 B10R1.31 CNc1ncc(s1)C(=O)C 27a_100102657272_200010173910 [0,1,0,0,1,0|2,0,0]=4 4842 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_100000229580_200000210301 [0,1,0,0,1,0|2,0,0]=4 4843 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_200000210301_100000229580 [0,1,0,0,1,0|2,0,0]=4 4844 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [0,1,0,0,1,0|1,0,0]=3 4845 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [0,1,0,0,1,0|1,0,0]=3 4846 B10R1.31 CSc1cc(cs1)C(=O)N 62a_100000747962_200000210301 [0,1,0,0,1,0|2,0,0]=4 4847 B10R1.31 CSc1cc(cs1)C(=O)N 62a_200000210301_100000747962 [0,1,0,0,1,0|2,0,0]=4 4848 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [0,1,0,0,1,0|1,0,0]=3 4849 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [0,1,0,0,1,0|1,0,0]=3 4850 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [0,1,0,0,1,0|1,0,0]=3 4851 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [0,1,0,0,1,0|1,0,0]=3 4852 B10R1.31 CSc1ccc(s1)C(=O)N 62a_100000162267_200000210301 [0,1,0,0,1,0|2,0,0]=4 4853 B10R1.31 CSc1cnc(s1)C(=O)C 62a_100000693680_200000210301 [0,1,0,0,1,0|2,0,0]=4 4854 B10R1.31 CSc1cnc(s1)C(=O)C 62a_200000210301_100000693680 [0,1,0,0,1,0|2,0,0]=4 4855 B10R1.31 CSc1cnn(c1)C(=O)C 62a_100010205889_200000210301 [0,1,0,0,1,0|2,0,0]=4 4856 B10R1.31 CSc1cnn(c1)C(=O)C 62a_200000210301_100010205889 [0,1,0,0,1,0|2,0,0]=4 4857 B10R1.31 CSc1coc(c1)C(=O)N 62a_200000210301_200009817131 [0,1,0,0,1,0|2,0,0]=4 4858 B10R1.31 CSc1coc(c1)C(=O)N 62a_200009817131_200000210301 [0,1,0,0,1,0|2,0,0]=4 4859 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [0,1,0,0,1,0|1,0,0]=3 4860 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [0,1,0,0,1,0|1,0,0]=3 4861 B10R1.31 CSc1csc(c1)C(=O)N 62a_100009812991_200000210301 [0,1,0,0,1,0|2,0,0]=4 4862 B10R1.31 CSc1csc(c1)C(=O)N 62a_200000210301_100009812991 [0,1,0,0,1,0|2,0,0]=4 4863 B10R1.31 CSc1csc(n1)C(=O)C 62a_100010231720_200000210301 [0,1,0,0,1,0|2,0,0]=4 4864 B10R1.31 CSc1csc(n1)C(=O)C 62a_200000210301_100010231720 [0,1,0,0,1,0|2,0,0]=4 4865 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200000210301_200010173910 [0,1,0,0,1,0|2,0,0]=4 4866 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200010173910_200000210301 [0,1,0,0,1,0|2,0,0]=4 4867 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_100000229580_200025704644 [0,1,0,0,1,0|2,0,0]=4 4868 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_200025704644_100000229580 [0,1,0,0,1,0|2,0,0]=4 4869 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_100000747962_200025704644 [0,1,0,0,1,0|2,0,0]=4 4870 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_200025704644_100000747962 [0,1,0,0,1,0|2,0,0]=4 4871 B10R1.31 [13CH3]Sc1ccc(s1)C(=O)N 62a_100000162267_200025704644 [0,1,0,0,1,0|2,0,0]=4 4872 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200009817131_200025704644 [0,1,0,0,1,0|2,0,0]=4 4873 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200025704644_200009817131 [0,1,0,0,1,0|2,0,0]=4 4874 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_100009812991_200025704644 [0,1,0,0,1,0|2,0,0]=4 4875 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_200025704644_100009812991 [0,1,0,0,1,0|2,0,0]=4 4876 B10R1.58 C=C(C)c1cc(c(s1)C)C 271570a_100000694244_100009850898 [0,1,0,0,1,0|2,0,0]=4 4877 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [0,1,0,0,1,0|1,0,0]=3 4878 B10R1.59 C=C(C)c1cc(sc1C)C 271570a_100000694244_100000688054 [0,1,0,0,1,0|2,0,0]=4 4879 B10R1.59 C=C(C)c1sc(cc1C)C 271570a_100000694244_100000689295 [0,1,0,0,1,0|2,0,0]=4 4880 B10R1.194 C=C(C)c1csc(c1C)C 271570a_100000694244_100009820295 [0,1,0,0,1,0|2,0,0]=4 4881 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [0,1,0,0,1,0|2,0,0]=4 4882 B10R1.39 C=C(C)c1ccsc1CO 271570a_100000694244_100000702026 [0,1,0,0,1,0|2,0,0]=4 4883 B10R1.39 C=C(C)c1ccsc1SC 271570a_100000694244_200010341309 [0,1,0,0,1,0|2,0,0]=4 4884 B10R1.39 C=C(C)c1cscc1CC 271570a_100000694244_100011068457 [0,1,0,0,1,0|2,0,0]=4 4885 B10R1.39 C=C(C)c1cscc1CO 271570a_100000694244_100000724555 [0,1,0,0,1,0|2,0,0]=4 4886 B10R1.39 C=C(C)c1sccc1CC 271570a_100000694244_200009875468 [0,1,0,0,1,0|2,0,0]=4 4887 B10R1.39 C=C(C)c1sccc1CN 271570a_100000694244_100000727803 [0,1,0,0,1,0|2,0,0]=4 4888 B10R1.39 C=C(C)c1sccc1CO 271570a_100000694244_100009816922 [0,1,0,0,1,0|2,0,0]=4 4889 B10R1.39 C=Cc1ccsc1C(=O)C 271570a_100011290941_100000738688 [0,1,0,0,1,0|1,0,1]=4 4890 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [0,1,0,0,1,0|1,0,0]=3 4891 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200010339033_200025704644 [0,1,0,0,1,0|2,0,0]=4 4892 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200025704644_200010339033 [0,1,0,0,1,0|2,0,0]=4 4893 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [0,1,0,0,1,0|1,0,0]=3 4894 B10R1.39 CSc1cscc1C(=O)N 62a_100009817205_200000210301 [0,1,0,0,1,0|2,0,0]=4 4895 B10R1.39 CSc1cscc1C(=O)N 62a_200000210301_100009817205 [0,1,0,0,1,0|2,0,0]=4 4896 B10R1.39 CSc1ncsc1C(=O)C 62a_200000210301_200010339033 [0,1,0,0,1,0|2,0,0]=4 4897 B10R1.39 CSc1ncsc1C(=O)C 62a_200010339033_200000210301 [0,1,0,0,1,0|2,0,0]=4 4898 B10R1.39 [13CH3]Sc1cscc1C(=O)N 62a_100009817205_200025704644 [0,1,0,0,1,0|2,0,0]=4 4899 B10R1.39 [13CH3]Sc1cscc1C(=O)N 62a_200025704644_100009817205 [0,1,0,0,1,0|2,0,0]=4 4900 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,1,0,0,1,0|2,0,0]=4 4901 B10R1.149 COC(=O)c1ccoc1O 271570a_203496583355_100011935261 [0,1,0,0,1,0|2,0,0]=4 4902 B10R1.149 COC(=O)c1ccsc1O 271570a_203496583355_100009822520 [0,1,0,0,1,0|2,0,0]=4 4903 B10R1.149 COC(=O)c1cscc1O 271570a_203496583355_100012351140 [0,1,0,0,1,0|2,0,0]=4 4904 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,1,0,0,1,0|2,0,0]=4 4905 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [0,1,0,0,1,0|2,0,0]=4 4906 B10R1.192 CC(=O)c1c(cnn1C)O 271570a_203496583355_100012349272 [0,1,0,0,1,0|2,0,0]=4 4907 B12R1.19 CC(=Cc1cc(c(cn1)Br)C)C 271570a_100102525489_100012356354 [0,1,0,0,0,1|2,0,0]=4 4908 B12R1.19 CC(=Cc1cc(c(cn1)C)C)C 271570a_100102525489_100009850809 [0,1,0,0,0,1|2,0,0]=4 4909 B12R1.19 CC(=Cc1cc(c(cn1)F)C)C 271570a_100102525489_100009818257 [0,1,0,0,0,1|2,0,0]=4 4910 B12R1.19 CC(=Cc1cc(c(cn1)N)C)C 271570a_100102525489_100000765520 [0,1,0,0,0,1|2,0,0]=4 4911 B12R1.19 CC(=Cc1cc(c(cn1)O)C)C 271570a_100102525489_100000692680 [0,1,0,0,0,1|2,0,0]=4 4912 B12R1.19 CC(=Cc1ccc(=O)n(c1)C)C 271570a_100102525489_100011245003 [0,1,0,0,0,1|2,0,0]=4 4913 B12R1.19 CC(=Cc1ccc(c(c1)Br)Br)C 271570a_100102525489_100012356285 [0,1,0,0,0,1|2,0,0]=4 4914 B12R1.19 CC(=Cc1ccc(c(c1)Br)C)C 271570a_100102525489_100011847877 [0,1,0,0,0,1|2,0,0]=4 4915 B12R1.19 CC(=Cc1ccc(c(c1)Br)Cl)C 271570a_100102525489_100012353702 [0,1,0,0,0,1|2,0,0]=4 4916 B12R1.19 CC(=Cc1ccc(c(c1)Br)F)C 271570a_100102525489_100012047266 [0,1,0,0,0,1|2,0,0]=4 4917 B12R1.19 CC(=Cc1ccc(c(c1)Br)N)C 271570a_100102525489_100000750455 [0,1,0,0,0,1|2,0,0]=4 4918 B12R1.19 CC(=Cc1ccc(c(c1)Br)O)C 271570a_100102525489_100012361655 [0,1,0,0,0,1|2,0,0]=4 4919 B12R1.19 CC(=Cc1ccc(c(c1)C)Br)C 271570a_100102525489_100009813585 [0,1,0,0,0,1|1,0,0]=3 4920 B12R1.19 CC(=Cc1ccc(c(c1)C)C)C 271570a_100102525489_100011215607 [0,1,0,0,0,1|1,0,0]=3 4921 B12R1.19 CC(=Cc1ccc(c(c1)C)Cl)C 271570a_100102525489_100000049509 [0,1,0,0,0,1|1,0,0]=3 4922 B12R1.19 CC(=Cc1ccc(c(c1)C)F)C 271570a_100102525489_100011218330 [0,1,0,0,0,1|1,0,0]=3 4923 B12R1.19 CC(=Cc1ccc(c(c1)C)N)C 271570a_100102525489_100000211769 [0,1,0,0,0,1|1,0,0]=3 4924 B12R1.19 CC(=Cc1ccc(c(c1)C)O)C 271570a_100102525489_100000186361 [0,1,0,0,0,1|1,0,0]=3 4925 B12R1.19 CC(=Cc1ccc(c(c1)Cl)Br)C 271570a_100102525489_100012047281 [0,1,0,0,0,1|2,0,0]=4 4926 B12R1.19 CC(=Cc1ccc(c(c1)Cl)C)C 271570a_100102525489_100011216363 [0,1,0,0,0,1|2,0,0]=4 4927 B12R1.19 CC(=Cc1ccc(c(c1)Cl)Cl)C 271570a_100102525489_100011214914 [0,1,0,0,0,1|2,0,0]=4 4928 B12R1.19 CC(=Cc1ccc(c(c1)Cl)F)C 271570a_100102525489_100011215976 [0,1,0,0,0,1|2,0,0]=4 4929 B12R1.19 CC(=Cc1ccc(c(c1)Cl)N)C 271570a_100102525489_100011218065 [0,1,0,0,0,1|2,0,0]=4 4930 B12R1.19 CC(=Cc1ccc(c(c1)Cl)O)C 271570a_100102525489_100012360047 [0,1,0,0,0,1|2,0,0]=4 4931 B12R1.19 CC(=Cc1ccc(c(c1)F)Br)C 271570a_100102525489_100000685389 [0,1,0,0,0,1|2,0,0]=4 4932 B12R1.19 CC(=Cc1ccc(c(c1)F)C)C 271570a_100102525489_100000720648 [0,1,0,0,0,1|2,0,0]=4 4933 B12R1.19 CC(=Cc1ccc(c(c1)F)Cl)C 271570a_100102525489_100011216805 [0,1,0,0,0,1|2,0,0]=4 4934 B12R1.19 CC(=Cc1ccc(c(c1)F)F)C 271570a_100102525489_100000750028 [0,1,0,0,0,1|2,0,0]=4 4935 B12R1.19 CC(=Cc1ccc(c(c1)F)N)C 271570a_100102525489_100011215594 [0,1,0,0,0,1|2,0,0]=4 4936 B12R1.19 CC(=Cc1ccc(c(c1)F)O)C 271570a_100102525489_100000185481 [0,1,0,0,0,1|2,0,0]=4 4937 B12R1.19 CC(=Cc1ccc(c(c1)N)Br)C 271570a_100102525489_100000750456 [0,1,0,0,0,1|2,0,0]=4 4938 B12R1.19 CC(=Cc1ccc(c(c1)N)C)C 271570a_100102525489_100000761890 [0,1,0,0,0,1|2,0,0]=4 4939 B12R1.19 CC(=Cc1ccc(c(c1)N)Cl)C 271570a_100102525489_200000761891 [0,1,0,0,0,1|2,0,0]=4 4940 B12R1.19 CC(=Cc1ccc(c(c1)N)F)C 271570a_100102525489_100000740924 [0,1,0,0,0,1|2,0,0]=4 4941 B12R1.19 CC(=Cc1ccc(c(c1)N)N)C 271570a_100102525489_100000741789 [0,1,0,0,0,1|2,0,0]=4 4942 B12R1.19 CC(=Cc1ccc(c(c1)N)O)C 271570a_100102525489_100000752626 [0,1,0,0,0,1|2,0,0]=4 4943 B12R1.19 CC(=Cc1ccc(c(c1)O)Br)C 271570a_100102525489_100012356990 [0,1,0,0,0,1|2,0,0]=4 4944 B12R1.19 CC(=Cc1ccc(c(c1)O)C)C 271570a_100102525489_100000766334 [0,1,0,0,0,1|2,0,0]=4 4945 B12R1.19 CC(=Cc1ccc(c(c1)O)Cl)C 271570a_100102525489_100011356854 [0,1,0,0,0,1|2,0,0]=4 4946 B12R1.19 CC(=Cc1ccc(c(c1)O)F)C 271570a_100102525489_100000686035 [0,1,0,0,0,1|2,0,0]=4 4947 B12R1.19 CC(=Cc1ccc(c(c1)O)N)C 271570a_100102525489_100000739049 [0,1,0,0,0,1|2,0,0]=4 4948 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [0,1,0,0,0,1|2,0,0]=4 4949 B12R1.19 CC(=Cc1ccc(c(n1)C)Br)C 271570a_100102525489_100012360386 [0,1,0,0,0,1|2,0,0]=4 4950 B12R1.19 CC(=Cc1ccc(c(n1)C)C)C 271570a_100102525489_100000103781 [0,1,0,0,0,1|2,0,0]=4 4951 B12R1.19 CC(=Cc1ccc(c(n1)C)F)C 271570a_100102525489_100009814307 [0,1,0,0,0,1|2,0,0]=4 4952 B12R1.19 CC(=Cc1ccc(c(n1)C)N)C 271570a_100102525489_100000760127 [0,1,0,0,0,1|2,0,0]=4 4953 B12R1.19 CC(=Cc1ccc(c(n1)C)O)C 271570a_100102525489_100010233687 [0,1,0,0,0,1|2,0,0]=4 4954 B12R1.19 CC(=Cc1cnc(c(c1)C)Br)C 271570a_100102525489_100009816107 [0,1,0,0,0,1|2,0,0]=4 4955 B12R1.19 CC(=Cc1cnc(c(c1)C)C)C 271570a_100102525489_100000697892 [0,1,0,0,0,1|2,0,0]=4 4956 B12R1.19 CC(=Cc1cnc(c(c1)C)Cl)C 271570a_100102525489_100009922867 [0,1,0,0,0,1|2,0,0]=4 4957 B12R1.19 CC(=Cc1cnc(c(c1)C)F)C 271570a_100102525489_100000709442 [0,1,0,0,0,1|2,0,0]=4 4958 B12R1.19 CC(=Cc1cnc(c(c1)C)N)C 271570a_100102525489_100000186686 [0,1,0,0,0,1|2,0,0]=4 4959 B12R1.19 CC(=Cc1cnc(c(c1)C)O)C 271570a_100102525489_100000685391 [0,1,0,0,0,1|2,0,0]=4 4960 B12R1.19 CC(=O)Cc1cc(=O)c(co1)O 1458a_100000070787_100000010605 [0,1,0,0,0,1|2,0,0]=4 4961 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000070787_100012353900 [0,1,0,0,0,1|1,0,0]=3 4962 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000070787_100012232412 [0,1,0,0,0,1|1,0,0]=3 4963 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_200000210301 [0,1,0,0,0,1|1,0,0]=3 4964 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000070787_100012353894 [0,1,0,0,0,1|1,0,0]=3 4965 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200000210301 [0,1,0,0,0,1|1,0,0]=3 4966 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000070787_100011206884 [0,1,0,0,0,1|1,0,0]=3 4967 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200000210301 [0,1,0,0,0,1|1,0,0]=3 4968 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [0,1,0,0,0,1|1,0,0]=3 4969 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [0,1,0,0,0,1|0,0,0]=2 4970 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [0,1,0,0,0,1|0,0,0]=2 4971 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [0,1,0,0,0,1|0,0,0]=2 4972 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [0,1,0,0,0,1|0,0,0]=2 4973 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [0,1,0,0,0,1|0,0,0]=2 4974 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [0,1,0,0,0,1|0,0,0]=2 4975 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [0,1,0,0,0,1|0,0,0]=2 4976 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,1,0,0,0,1|0,0,0]=2 4977 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000070787_100012353895 [0,1,0,0,0,1|1,0,0]=3 4978 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200000210301 [0,1,0,0,0,1|1,0,0]=3 4979 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000070787_100011823929 [0,1,0,0,0,1|1,0,0]=3 4980 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000070787_100000184707 [0,1,0,0,0,1|1,0,0]=3 4981 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200000210301 [0,1,0,0,0,1|1,0,0]=3 4982 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000070787_100000717365 [0,1,0,0,0,1|1,0,0]=3 4983 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200000210301 [0,1,0,0,0,1|1,0,0]=3 4984 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000070787_100012349665 [0,1,0,0,0,1|1,0,0]=3 4985 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [0,1,0,0,0,1|1,0,0]=3 4986 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000070787_100000767054 [0,1,0,0,0,1|1,0,0]=3 4987 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200000210301 [0,1,0,0,0,1|1,0,0]=3 4988 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100000070787_100011217369 [0,1,0,0,0,1|1,0,0]=3 4989 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_200000210301 [0,1,0,0,0,1|1,0,0]=3 4990 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000070787_100000716492 [0,1,0,0,0,1|1,0,0]=3 4991 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200000210301 [0,1,0,0,0,1|1,0,0]=3 4992 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000070787_100000757363 [0,1,0,0,0,1|1,0,0]=3 4993 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200000210301 [0,1,0,0,0,1|1,0,0]=3 4994 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100000070787_100010149604 [0,1,0,0,0,1|1,0,0]=3 4995 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200000210301 [0,1,0,0,0,1|1,0,0]=3 4996 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [0,1,0,0,0,1|1,0,0]=3 4997 B12R1.19 CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000070787_100010146616 [0,1,0,0,0,1|1,0,0]=3 4998 B12R1.19 CC(=O)Cc1ccc(c(c1)I)C 1458a_100000070787_100010206137 [0,1,0,0,0,1|1,0,0]=3 4999 B12R1.19 CC(=O)Cc1ccc(c(c1)I)F 1458a_100000070787_100010188208 [0,1,0,0,0,1|1,0,0]=3 5000 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [0,1,0,0,0,1|1,0,0]=3 5001 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [0,1,0,0,0,1|1,0,0]=3 5002 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [0,1,0,0,0,1|1,0,0]=3 5003 B12R1.19 CC(=O)Cc1cnc(c(c1)Br)F 1458a_100000070787_200010066439 [0,1,0,0,0,1|2,0,0]=4 5004 B12R1.19 CC(=O)Cc1cnc(c(c1)Cl)Cl 1458a_100000070787_100009843750 [0,1,0,0,0,1|2,0,0]=4 5005 B12R1.19 CC(=O)Cc1cnc(c(c1)I)Cl 1458a_100000070787_100011072623 [0,1,0,0,0,1|2,0,0]=4 5006 B12R1.19 CC(=O)Nc1cc(c(cn1)O)C 271570a_203496583355_100011934553 [0,1,0,0,0,1|1,0,0]=3 5007 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 11a_100011306057_100015343762 [0,1,0,0,0,1|1,0,0]=3 5008 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 1626a_100011306057_100015343762 [0,1,0,0,0,1|1,0,0]=3 5009 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000070787 [0,1,0,0,0,1|1,0,0]=3 5010 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 527a_100011306057_100103153847 [0,1,0,0,0,1|1,0,0]=3 5011 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 11a_100000736455_100015343762 [0,1,0,0,0,1|1,0,0]=3 5012 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 1626a_100000736455_100015343762 [0,1,0,0,0,1|1,0,0]=3 5013 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 22a_100000736455_100000070787 [0,1,0,0,0,1|1,0,0]=3 5014 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 527a_100000736455_100103153847 [0,1,0,0,0,1|1,0,0]=3 5015 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 11a_100000686031_100015343762 [0,1,0,0,0,1|1,0,0]=3 5016 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 1626a_100000686031_100015343762 [0,1,0,0,0,1|1,0,0]=3 5017 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000070787 [0,1,0,0,0,1|1,0,0]=3 5018 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100103153847 [0,1,0,0,0,1|1,0,0]=3 5019 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 11a_100000760356_100015343762 [0,1,0,0,0,1|1,0,0]=3 5020 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 1626a_100000760356_100015343762 [0,1,0,0,0,1|1,0,0]=3 5021 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 22a_100000760356_100000070787 [0,1,0,0,0,1|1,0,0]=3 5022 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 527a_100000760356_100103153847 [0,1,0,0,0,1|1,0,0]=3 5023 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 11a_100000750458_100015343762 [0,1,0,0,0,1|1,0,0]=3 5024 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 1626a_100000750458_100015343762 [0,1,0,0,0,1|1,0,0]=3 5025 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 22a_100000750458_100000070787 [0,1,0,0,0,1|1,0,0]=3 5026 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 527a_100000750458_100103153847 [0,1,0,0,0,1|1,0,0]=3 5027 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [0,1,0,0,0,1|1,0,0]=3 5028 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [0,1,0,0,0,1|1,0,0]=3 5029 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 11a_100000210723_100015343762 [0,1,0,0,0,1|0,0,0]=2 5030 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100015343762 [0,1,0,0,0,1|0,0,0]=2 5031 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000070787 [0,1,0,0,0,1|0,0,0]=2 5032 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 527a_100000210723_100103153847 [0,1,0,0,0,1|0,0,0]=2 5033 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 11a_100000724040_100015343762 [0,1,0,0,0,1|0,0,0]=2 5034 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100015343762 [0,1,0,0,0,1|0,0,0]=2 5035 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000070787 [0,1,0,0,0,1|0,0,0]=2 5036 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 527a_100000724040_100103153847 [0,1,0,0,0,1|0,0,0]=2 5037 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 11a_100000187808_100015343762 [0,1,0,0,0,1|0,0,0]=2 5038 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100015343762 [0,1,0,0,0,1|0,0,0]=2 5039 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000070787 [0,1,0,0,0,1|0,0,0]=2 5040 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 527a_100000187808_100103153847 [0,1,0,0,0,1|0,0,0]=2 5041 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 11a_100000750164_100015343762 [0,1,0,0,0,1|0,0,0]=2 5042 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100015343762 [0,1,0,0,0,1|0,0,0]=2 5043 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000070787 [0,1,0,0,0,1|0,0,0]=2 5044 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 527a_100000750164_100103153847 [0,1,0,0,0,1|0,0,0]=2 5045 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 11a_100000198070_100015343762 [0,1,0,0,0,1|0,0,0]=2 5046 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100015343762 [0,1,0,0,0,1|0,0,0]=2 5047 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000070787 [0,1,0,0,0,1|0,0,0]=2 5048 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 527a_100000198070_100103153847 [0,1,0,0,0,1|0,0,0]=2 5049 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,1,0,0,0,1|0,0,0]=2 5050 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,1,0,0,0,1|0,0,0]=2 5051 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,1,0,0,0,1|0,0,0]=2 5052 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,1,0,0,0,1|0,0,0]=2 5053 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 11a_100000687081_100015343762 [0,1,0,0,0,1|1,0,0]=3 5054 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 1626a_100000687081_100015343762 [0,1,0,0,0,1|1,0,0]=3 5055 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000070787 [0,1,0,0,0,1|1,0,0]=3 5056 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 527a_100000687081_100103153847 [0,1,0,0,0,1|1,0,0]=3 5057 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 11a_100000188892_100015343762 [0,1,0,0,0,1|1,0,0]=3 5058 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 1626a_100000188892_100015343762 [0,1,0,0,0,1|1,0,0]=3 5059 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 22a_100000188892_100000070787 [0,1,0,0,0,1|1,0,0]=3 5060 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 527a_100000188892_100103153847 [0,1,0,0,0,1|1,0,0]=3 5061 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 11a_100000184108_100015343762 [0,1,0,0,0,1|1,0,0]=3 5062 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 1626a_100000184108_100015343762 [0,1,0,0,0,1|1,0,0]=3 5063 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000070787 [0,1,0,0,0,1|1,0,0]=3 5064 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100103153847 [0,1,0,0,0,1|1,0,0]=3 5065 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 11a_100000211060_100015343762 [0,1,0,0,0,1|1,0,0]=3 5066 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 1626a_100000211060_100015343762 [0,1,0,0,0,1|1,0,0]=3 5067 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000070787 [0,1,0,0,0,1|1,0,0]=3 5068 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 527a_100000211060_100103153847 [0,1,0,0,0,1|1,0,0]=3 5069 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 11a_100000761885_100015343762 [0,1,0,0,0,1|1,0,0]=3 5070 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 1626a_100000761885_100015343762 [0,1,0,0,0,1|1,0,0]=3 5071 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000070787 [0,1,0,0,0,1|1,0,0]=3 5072 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [0,1,0,0,0,1|1,0,0]=3 5073 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 11a_100000759894_100015343762 [0,1,0,0,0,1|1,0,0]=3 5074 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 1626a_100000759894_100015343762 [0,1,0,0,0,1|1,0,0]=3 5075 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 22a_100000759894_100000070787 [0,1,0,0,0,1|1,0,0]=3 5076 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 527a_100000759894_100103153847 [0,1,0,0,0,1|1,0,0]=3 5077 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 11a_100000210958_100015343762 [0,1,0,0,0,1|1,0,0]=3 5078 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 1626a_100000210958_100015343762 [0,1,0,0,0,1|1,0,0]=3 5079 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 22a_100000210958_100000070787 [0,1,0,0,0,1|1,0,0]=3 5080 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 527a_100000210958_100103153847 [0,1,0,0,0,1|1,0,0]=3 5081 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 11a_100000739366_100015343762 [0,1,0,0,0,1|1,0,0]=3 5082 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 1626a_100000739366_100015343762 [0,1,0,0,0,1|1,0,0]=3 5083 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000070787 [0,1,0,0,0,1|1,0,0]=3 5084 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 11a_100000210724_100015343762 [0,1,0,0,0,1|1,0,0]=3 5085 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 1626a_100000210724_100015343762 [0,1,0,0,0,1|1,0,0]=3 5086 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 22a_100000210724_100000070787 [0,1,0,0,0,1|1,0,0]=3 5087 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 11a_100011356925_100015343762 [0,1,0,0,0,1|1,0,0]=3 5088 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 1626a_100011356925_100015343762 [0,1,0,0,0,1|1,0,0]=3 5089 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 22a_100011356925_100000070787 [0,1,0,0,0,1|1,0,0]=3 5090 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [0,1,0,0,0,1|1,0,0]=3 5091 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [0,1,0,0,0,1|1,0,0]=3 5092 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [0,1,0,0,0,1|1,0,0]=3 5093 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 11a_100000750459_100015343762 [0,1,0,0,0,1|1,0,0]=3 5094 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 1626a_100000750459_100015343762 [0,1,0,0,0,1|1,0,0]=3 5095 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 22a_100000750459_100000070787 [0,1,0,0,0,1|1,0,0]=3 5096 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 527a_100000750459_100103153847 [0,1,0,0,0,1|1,0,0]=3 5097 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 11a_100000184131_100015343762 [0,1,0,0,0,1|1,0,0]=3 5098 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 1626a_100000184131_100015343762 [0,1,0,0,0,1|1,0,0]=3 5099 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 22a_100000184131_100000070787 [0,1,0,0,0,1|1,0,0]=3 5100 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 527a_100000184131_100103153847 [0,1,0,0,0,1|1,0,0]=3 5101 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 11a_100012360549_100015343762 [0,1,0,0,0,1|1,0,0]=3 5102 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 1626a_100012360549_100015343762 [0,1,0,0,0,1|1,0,0]=3 5103 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000070787 [0,1,0,0,0,1|1,0,0]=3 5104 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 527a_100012360549_100103153847 [0,1,0,0,0,1|1,0,0]=3 5105 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 11a_114828291077_100015343762 [0,1,0,0,0,1|1,0,0]=3 5106 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 1626a_114828291077_100015343762 [0,1,0,0,0,1|1,0,0]=3 5107 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 22a_114828291077_100000070787 [0,1,0,0,0,1|1,0,0]=3 5108 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 527a_114828291077_100103153847 [0,1,0,0,0,1|1,0,0]=3 5109 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100015343762 [0,1,0,0,0,1|1,0,0]=3 5110 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000070787 [0,1,0,0,0,1|1,0,0]=3 5111 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 271570a_203496583355_100011221169 [0,1,0,0,0,1|1,0,0]=3 5112 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100103153847 [0,1,0,0,0,1|1,0,0]=3 5113 B12R1.19 CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000070787 [0,1,0,0,0,1|1,0,0]=3 5114 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000070787 [0,1,0,0,0,1|1,0,0]=3 5115 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 271570a_203496583355_100012348134 [0,1,0,0,0,1|1,0,0]=3 5116 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100103153847 [0,1,0,0,0,1|1,0,0]=3 5117 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [0,1,0,0,0,1|1,0,0]=3 5118 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [0,1,0,0,0,1|1,0,0]=3 5119 B12R1.19 CC(=O)Nc1ccc(c(n1)C)O 271570a_203496583355_100000187074 [0,1,0,0,0,1|1,0,0]=3 5120 B12R1.19 CC(=O)Nc1ccc(c(n1)F)O 271570a_203496583355_100000050017 [0,1,0,0,0,1|2,0,0]=4 5121 B12R1.19 CC(=O)Oc1ccc(c(c1)O)C 271570a_203496583355_200025702335 [0,1,0,0,0,1|1,0,0]=3 5122 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [0,1,0,0,0,1|0,0,0]=2 5123 B12R1.19 Cc1cc(ccc1Br)CN(C)C 2230a_100102631434_100000727479 [0,1,0,0,0,1|2,0,0]=4 5124 B12R1.19 Cc1cc(ccc1Br)CN(C)C 269982a_100102631434_100000727479 [0,1,0,0,0,1|2,0,0]=4 5125 B12R1.19 Cc1cc(ccc1Br)CN(C)C 270004a_100102631434_100000765772 [0,1,0,0,0,1|2,0,0]=4 5126 B12R1.19 Cc1cc(ccc1Br)NC(C)C 2230a_100000210723_100000210206 [0,1,0,0,0,1|1,0,1]=4 5127 B12R1.19 Cc1cc(ccc1Br)NC(C)C 34a_100000210723_100000210206 [0,1,0,0,0,1|1,0,1]=4 5128 B12R1.19 Cc1cc(ccc1Br)NC(C)C 7a_100000210723_100000210206 [0,1,0,0,0,1|1,0,1]=4 5129 B12R1.19 Cc1cc(ccc1Br)OC(C)C 34a_100000690111_100000210206 [0,1,0,0,0,1|1,0,1]=4 5130 B12R1.19 Cc1cc(ccc1Br)OC(C)C 7a_100000690111_100000210206 [0,1,0,0,0,1|1,0,1]=4 5131 B12R1.19 Cc1cc(ccc1Br)SC(C)C 62a_100000210206_100009813585 [0,1,0,0,0,1|1,0,1]=4 5132 B12R1.19 Cc1cc(ccc1Br)SC(C)C 62a_100009813585_100000210206 [0,1,0,0,0,1|1,0,1]=4 5133 B12R1.19 Cc1cc(ccc1Cl)CN(C)C 2230a_100102631434_100012184735 [0,1,0,0,0,1|2,0,0]=4 5134 B12R1.19 Cc1cc(ccc1Cl)CN(C)C 269982a_100102631434_100012184735 [0,1,0,0,0,1|2,0,0]=4 5135 B12R1.19 Cc1cc(ccc1Cl)CN(C)C 270004a_100102631434_100000698814 [0,1,0,0,0,1|2,0,0]=4 5136 B12R1.19 Cc1cc(ccc1Cl)NC(C)C 2230a_100000187808_100000210206 [0,1,0,0,0,1|1,0,1]=4 5137 B12R1.19 Cc1cc(ccc1Cl)NC(C)C 34a_100000187808_100000210206 [0,1,0,0,0,1|1,0,1]=4 5138 B12R1.19 Cc1cc(ccc1Cl)NC(C)C 7a_100000187808_100000210206 [0,1,0,0,0,1|1,0,1]=4 5139 B12R1.19 Cc1cc(ccc1Cl)OC(C)C 34a_100000211092_100000210206 [0,1,0,0,0,1|1,0,1]=4 5140 B12R1.19 Cc1cc(ccc1Cl)OC(C)C 7a_100000211092_100000210206 [0,1,0,0,0,1|1,0,1]=4 5141 B12R1.19 Cc1cc(ccc1Cl)SC(C)C 62a_100000049509_100000210206 [0,1,0,0,0,1|1,0,1]=4 5142 B12R1.19 Cc1cc(ccc1Cl)SC(C)C 62a_100000210206_100000049509 [0,1,0,0,0,1|1,0,1]=4 5143 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [0,1,0,0,0,1|0,0,0]=2 5144 B12R1.19 Cc1cc(ccc1F)CN(C)C 2230a_100102631434_100011216667 [0,1,0,0,0,1|2,0,0]=4 5145 B12R1.19 Cc1cc(ccc1F)CN(C)C 269982a_100102631434_100011216667 [0,1,0,0,0,1|2,0,0]=4 5146 B12R1.19 Cc1cc(ccc1F)CN(C)C 270004a_100102631434_100000748208 [0,1,0,0,0,1|2,0,0]=4 5147 B12R1.19 Cc1cc(ccc1F)NC(C)C 2230a_100000750164_100000210206 [0,1,0,0,0,1|1,0,1]=4 5148 B12R1.19 Cc1cc(ccc1F)NC(C)C 34a_100000750164_100000210206 [0,1,0,0,0,1|1,0,1]=4 5149 B12R1.19 Cc1cc(ccc1F)NC(C)C 7a_100000750164_100000210206 [0,1,0,0,0,1|1,0,1]=4 5150 B12R1.19 Cc1cc(ccc1F)OC(C)C 34a_100000751312_100000210206 [0,1,0,0,0,1|1,0,1]=4 5151 B12R1.19 Cc1cc(ccc1F)OC(C)C 7a_100000751312_100000210206 [0,1,0,0,0,1|1,0,1]=4 5152 B12R1.19 Cc1cc(ccc1F)SC(C)C 62a_100000210206_100011218330 [0,1,0,0,0,1|1,0,1]=4 5153 B12R1.19 Cc1cc(ccc1F)SC(C)C 62a_100011218330_100000210206 [0,1,0,0,0,1|1,0,1]=4 5154 B12R1.19 Cc1cc(ccc1I)NC(C)C 34a_100000198070_100000210206 [0,1,0,0,0,1|1,0,1]=4 5155 B12R1.19 Cc1cc(ccc1I)NC(C)C 7a_100000198070_100000210206 [0,1,0,0,0,1|1,0,1]=4 5156 B12R1.19 Cc1cc(ccc1I)OC(C)C 34a_100000729255_100000210206 [0,1,0,0,0,1|1,0,1]=4 5157 B12R1.19 Cc1cc(ccc1I)OC(C)C 7a_100000729255_100000210206 [0,1,0,0,0,1|1,0,1]=4 5158 B12R1.19 Cc1cc(ccc1N)OC(C)C 34a_100000756630_100000210206 [0,1,0,0,0,1|1,0,1]=4 5159 B12R1.19 Cc1cc(ccc1N)OC(C)C 7a_100000756630_100000210206 [0,1,0,0,0,1|1,0,1]=4 5160 B12R1.19 Cc1cc(ccc1N)SC(C)C 62a_100000210206_100000211769 [0,1,0,0,0,1|1,0,1]=4 5161 B12R1.19 Cc1cc(ccc1N)SC(C)C 62a_100000211769_100000210206 [0,1,0,0,0,1|1,0,1]=4 5162 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,1,0,0,0,1|0,0,0]=2 5163 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [0,1,0,0,0,1|1,0,0]=3 5164 B12R1.19 Cc1cc(ccc1O)NC(C)C 34a_100011218179_100000210206 [0,1,0,0,0,1|1,0,1]=4 5165 B12R1.19 Cc1cc(ccc1O)NC(C)C 7a_100011218179_100000210206 [0,1,0,0,0,1|1,0,1]=4 5166 B12R1.19 Cc1cc(ccc1O)SC(C)C 62a_100000210206_100000186361 [0,1,0,0,0,1|1,0,1]=4 5167 B12R1.19 Cc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100000709925_200025704644 [0,1,0,0,0,1|1,0,0]=3 5168 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [0,1,0,0,0,1|0,0,0]=2 5169 B12R1.19 Cc1ccc(cc1C)CN(C)C 2230a_100015204808_200000210301 [0,1,0,0,0,1|2,0,0]=4 5170 B12R1.19 Cc1ccc(cc1C)CN(C)C 2230a_100102631434_100000742320 [0,1,0,0,0,1|2,0,0]=4 5171 B12R1.19 Cc1ccc(cc1C)CN(C)C 269982a_100015204808_200000210301 [0,1,0,0,0,1|2,0,0]=4 5172 B12R1.19 Cc1ccc(cc1C)CN(C)C 269982a_100102631434_100000742320 [0,1,0,0,0,1|2,0,0]=4 5173 B12R1.19 Cc1ccc(cc1C)CN(C)C 270004a_100102631434_100000229942 [0,1,0,0,0,1|2,0,0]=4 5174 B12R1.19 Cc1ccc(cc1C)CN(C)C 34a_100015204808_200000210301 [0,1,0,0,0,1|2,0,0]=4 5175 B12R1.19 Cc1ccc(cc1C)CN(C)[13CH3] 2230a_100015204808_200025704644 [0,1,0,0,0,1|2,0,0]=4 5176 B12R1.19 Cc1ccc(cc1C)CN(C)[13CH3] 269982a_100015204808_200025704644 [0,1,0,0,0,1|2,0,0]=4 5177 B12R1.19 Cc1ccc(cc1C)CN(C)[13CH3] 34a_100015204808_200025704644 [0,1,0,0,0,1|2,0,0]=4 5178 B12R1.19 Cc1ccc(cc1C)NC(C)C 2230a_100000724040_100000210206 [0,1,0,0,0,1|1,0,1]=4 5179 B12R1.19 Cc1ccc(cc1C)NC(C)C 34a_100000724040_100000210206 [0,1,0,0,0,1|1,0,1]=4 5180 B12R1.19 Cc1ccc(cc1C)NC(C)C 7a_100000724040_100000210206 [0,1,0,0,0,1|1,0,1]=4 5181 B12R1.19 Cc1ccc(cc1C)OC(C)C 34a_100000210932_100000210206 [0,1,0,0,0,1|1,0,1]=4 5182 B12R1.19 Cc1ccc(cc1C)OC(C)C 7a_100000210932_100000210206 [0,1,0,0,0,1|1,0,1]=4 5183 B12R1.19 Cc1ccc(cc1C)SC(C)C 62a_100000210206_100011215607 [0,1,0,0,0,1|1,0,1]=4 5184 B12R1.19 Cc1ccc(cc1C)SC(C)C 62a_100011215607_100000210206 [0,1,0,0,0,1|1,0,1]=4 5185 B12R1.19 Cc1ccc(cc1F)CC(=O)[13CH3] 1458a_100011217375_200025704644 [0,1,0,0,0,1|1,0,0]=3 5186 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [0,1,0,0,0,1|1,0,0]=3 5187 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200025704644 [0,1,0,0,0,1|1,0,0]=3 5188 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200025704644 [0,1,0,0,0,1|1,0,0]=3 5189 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [0,1,0,0,0,1|1,0,0]=3 5190 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200025704644 [0,1,0,0,0,1|1,0,0]=3 5191 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200025704644 [0,1,0,0,0,1|1,0,0]=3 5192 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200025704644 [0,1,0,0,0,1|1,0,0]=3 5193 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [0,1,0,0,0,1|1,0,0]=3 5194 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200025704644 [0,1,0,0,0,1|1,0,0]=3 5195 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200025704644 [0,1,0,0,0,1|1,0,0]=3 5196 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200025704644 [0,1,0,0,0,1|1,0,0]=3 5197 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200025704644 [0,1,0,0,0,1|1,0,0]=3 5198 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [0,1,0,0,0,1|1,0,0]=3 5199 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [0,1,0,0,0,1|1,0,0]=3 5200 B12R1.50 C#CC(=O)Cc1cc(ccn1)C 1458a_100000211873_100000718516 [0,1,0,0,0,1|1,0,1]=4 5201 B12R1.50 C#CC(=O)Cc1cccc(c1)Br 1458a_100000211873_100000211773 [0,1,0,0,0,1|1,0,1]=4 5202 B12R1.50 C#CC(=O)Cc1cccc(c1)C 1458a_100000211873_100000211840 [0,1,0,0,0,1|0,0,1]=3 5203 B12R1.50 C#CC(=O)Cc1cccc(c1)Cl 1458a_100000211873_100000181238 [0,1,0,0,0,1|1,0,1]=4 5204 B12R1.50 C#CC(=O)Cc1cccc(c1)F 1458a_100000211873_100000230114 [0,1,0,0,0,1|1,0,1]=4 5205 B12R1.50 C#CC(=O)Cc1cccc(c1)I 1458a_100000211873_100011218688 [0,1,0,0,0,1|1,0,1]=4 5206 B12R1.50 C#CC(=O)Cc1cccc(c1)O 1458a_100000211873_100011660834 [0,1,0,0,0,1|1,0,1]=4 5207 B12R1.50 C#CC(=O)Cc1cccc(n1)C 1458a_100000211873_100000757606 [0,1,0,0,0,1|1,0,1]=4 5208 B12R1.50 C#CC(=O)Cc1ccnc(c1)C 1458a_100000211873_200020672517 [0,1,0,0,0,1|1,0,1]=4 5209 B12R1.50 C#CC(=O)Cc1cncc(c1)C 1458a_100000211873_100000716715 [0,1,0,0,0,1|1,0,1]=4 5210 B12R1.50 C#CC(C)Nc1cccc(c1)C 34a_100000188690_200000035995 [0,1,0,0,0,1|1,0,1]=4 5211 B12R1.50 C#CC(C)Oc1cccc(c1)C 34a_100000210337_200000035995 [0,1,0,0,0,1|1,0,1]=4 5212 B12R1.50 C#CC(C)Sc1cccc(c1)C 62a_200000035995_100011215228 [0,1,0,0,0,1|1,0,1]=4 5213 B12R1.50 C=CC(=O)Cc1cc(ccn1)C 1458a_100000185746_100000718516 [0,1,0,0,0,1|1,0,1]=4 5214 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,1,0,0,0,1|1,0,1]=4 5215 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,1,0,0,0,1|0,0,1]=3 5216 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,1,0,0,0,1|1,0,1]=4 5217 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,1,0,0,0,1|1,0,1]=4 5218 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,1,0,0,0,1|1,0,1]=4 5219 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,1,0,0,0,1|1,0,1]=4 5220 B12R1.50 C=CC(=O)Cc1cccc(n1)C 1458a_100000185746_100000757606 [0,1,0,0,0,1|1,0,1]=4 5221 B12R1.50 C=CC(=O)Cc1ccnc(c1)C 1458a_100000185746_200020672517 [0,1,0,0,0,1|1,0,1]=4 5222 B12R1.50 C=CC(=O)Cc1cncc(c1)C 1458a_100000185746_100000716715 [0,1,0,0,0,1|1,0,1]=4 5223 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,1,0,0,0,1|1,0,1]=4 5224 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,1,0,0,0,1|1,0,1]=4 5225 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,1,0,0,0,1|0,0,1]=3 5226 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,1,0,0,0,1|0,0,1]=3 5227 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,1,0,0,0,1|1,0,1]=4 5228 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,1,0,0,0,1|1,0,1]=4 5229 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,1,0,0,0,1|1,0,1]=4 5230 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,1,0,0,0,1|1,0,1]=4 5231 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,1,0,0,0,1|1,0,1]=4 5232 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,1,0,0,0,1|1,0,1]=4 5233 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,1,0,0,0,1|1,0,1]=4 5234 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,1,0,0,0,1|1,0,1]=4 5235 B12R1.50 C=CC(C)Sc1cccc(c1)C 62a_100011215867_100011215228 [0,1,0,0,0,1|1,0,1]=4 5236 B12R1.50 CC(=Cc1cccc(c1)Br)C#N 6a_100000210085_200000212204 [0,1,0,0,0,1|2,0,0]=4 5237 B12R1.50 CC(=Cc1cccc(c1)F)C#N 6a_100000210812_200000212204 [0,1,0,0,0,1|2,0,0]=4 5238 B12R1.50 CC(=Cc1cccc(c1)I)C#N 6a_100000014684_200000212204 [0,1,0,0,0,1|2,0,0]=4 5239 B12R1.50 CC(=Cc1cncc(c1)C)C#N 6a_100011998712_200000212204 [0,1,0,0,0,1|2,0,0]=4 5240 B12R1.50 CCC(=O)Cc1cc(ccn1)Br 1458a_100000210414_100010173614 [0,1,0,0,0,1|2,0,0]=4 5241 B12R1.50 CCC(=O)Cc1cc(ccn1)C 1458a_100000210414_100000718516 [0,1,0,0,0,1|1,0,0]=3 5242 B12R1.50 CCC(=O)Cc1cc(ccn1)Cl 1458a_100000210414_100016988179 [0,1,0,0,0,1|2,0,0]=4 5243 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [0,1,0,0,0,1|1,0,0]=3 5244 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [0,1,0,0,0,1|1,0,0]=3 5245 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,1,0,0,0,1|0,0,0]=2 5246 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,1,0,0,0,1|0,0,0]=2 5247 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [0,1,0,0,0,1|1,0,0]=3 5248 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [0,1,0,0,0,1|1,0,0]=3 5249 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [0,1,0,0,0,1|1,0,0]=3 5250 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [0,1,0,0,0,1|1,0,0]=3 5251 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [0,1,0,0,0,1|1,0,0]=3 5252 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [0,1,0,0,0,1|1,0,0]=3 5253 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [0,1,0,0,0,1|1,0,0]=3 5254 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [0,1,0,0,0,1|1,0,0]=3 5255 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100000210414_100009889011 [0,1,0,0,0,1|2,0,0]=4 5256 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000210202 [0,1,0,0,0,1|2,0,0]=4 5257 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100000210414_100000757606 [0,1,0,0,0,1|1,0,0]=3 5258 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210202 [0,1,0,0,0,1|1,0,0]=3 5259 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000210202 [0,1,0,0,0,1|2,0,0]=4 5260 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000210414_100000086093 [0,1,0,0,0,1|2,0,0]=4 5261 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000096803_100000210202 [0,1,0,0,0,1|2,0,0]=4 5262 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000210414_100009819644 [0,1,0,0,0,1|2,0,0]=4 5263 B12R1.50 CCC(=O)Cc1ccnc(c1)Br 1458a_100000210414_100010243470 [0,1,0,0,0,1|2,0,0]=4 5264 B12R1.50 CCC(=O)Cc1ccnc(c1)Br 1458a_100010126891_100000210202 [0,1,0,0,0,1|2,0,0]=4 5265 B12R1.50 CCC(=O)Cc1ccnc(c1)C 1458a_100000210414_200020672517 [0,1,0,0,0,1|1,0,0]=3 5266 B12R1.50 CCC(=O)Cc1ccnc(c1)Cl 1458a_100000210414_100000764220 [0,1,0,0,0,1|2,0,0]=4 5267 B12R1.50 CCC(=O)Cc1cncc(c1)Br 1458a_100000210414_100011740620 [0,1,0,0,0,1|2,0,0]=4 5268 B12R1.50 CCC(=O)Cc1cncc(c1)Br 1458a_100000239331_100000210202 [0,1,0,0,0,1|2,0,0]=4 5269 B12R1.50 CCC(=O)Cc1cncc(c1)C 1458a_100000210414_100000716715 [0,1,0,0,0,1|1,0,0]=3 5270 B12R1.50 CCC(=O)Cc1cncc(c1)Cl 1458a_100000210414_100016992070 [0,1,0,0,0,1|2,0,0]=4 5271 B12R1.50 CCC(=O)Cc1cncc(c1)F 1458a_100000210414_100000725299 [0,1,0,0,0,1|2,0,0]=4 5272 B12R1.50 CCC(=O)Cc1cncc(c1)F 1458a_100011667516_100000210202 [0,1,0,0,0,1|2,0,0]=4 5273 B12R1.50 CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210414 [0,1,0,0,0,1|1,0,0]=3 5274 B12R1.50 CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210414 [0,1,0,0,0,1|1,0,0]=3 5275 B12R1.50 CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210414 [0,1,0,0,0,1|1,0,0]=3 5276 B12R1.50 CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210414 [0,1,0,0,0,1|1,0,0]=3 5277 B12R1.50 CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210414 [0,1,0,0,0,1|0,0,0]=2 5278 B12R1.50 CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210414 [0,1,0,0,0,1|0,0,0]=2 5279 B12R1.50 CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210414 [0,1,0,0,0,1|0,0,0]=2 5280 B12R1.50 CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210414 [0,1,0,0,0,1|0,0,0]=2 5281 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210414 [0,1,0,0,0,1|1,0,0]=3 5282 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210414 [0,1,0,0,0,1|1,0,0]=3 5283 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210414 [0,1,0,0,0,1|1,0,0]=3 5284 B12R1.50 CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210414 [0,1,0,0,0,1|1,0,0]=3 5285 B12R1.50 CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210414 [0,1,0,0,0,1|1,0,0]=3 5286 B12R1.50 CCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210414 [0,1,0,0,0,1|1,0,0]=3 5287 B12R1.50 CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210414 [0,1,0,0,0,1|1,0,0]=3 5288 B12R1.50 CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210414 [0,1,0,0,0,1|1,0,0]=3 5289 B12R1.50 CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210414 [0,1,0,0,0,1|1,0,0]=3 5290 B12R1.50 CCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210414 [0,1,0,0,0,1|1,0,0]=3 5291 B12R1.50 CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210414 [0,1,0,0,0,1|1,0,0]=3 5292 B12R1.50 CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210414 [0,1,0,0,0,1|1,0,0]=3 5293 B12R1.50 CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210414 [0,1,0,0,0,1|1,0,0]=3 5294 B12R1.50 CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210414 [0,1,0,0,0,1|1,0,0]=3 5295 B12R1.50 CCC(C)Nc1cccc(c1)C 2230a_100000188690_100000758301 [0,1,0,0,0,1|1,0,1]=4 5296 B12R1.50 CCC(C)Nc1cccc(c1)C 34a_100000188690_100011215416 [0,1,0,0,0,1|1,0,1]=4 5297 B12R1.50 CCC(C)Oc1cccc(c1)C 34a_100000210337_100011215416 [0,1,0,0,0,1|1,0,1]=4 5298 B12R1.50 CCC(C)Oc1cccc(c1)C 7a_100000210337_100000758301 [0,1,0,0,0,1|1,0,1]=4 5299 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100000758301_100011215228 [0,1,0,0,0,1|1,0,1]=4 5300 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100011215228_100000758301 [0,1,0,0,0,1|1,0,1]=4 5301 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_100000225621_100000211840 [0,1,0,0,0,1|2,0,0]=4 5302 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210202 [0,1,0,0,0,1|2,0,0]=4 5303 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102516607250_200000210301 [0,1,0,0,0,1|2,0,0]=4 5304 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_100000225621_100000211840 [0,1,0,0,0,1|2,0,0]=4 5305 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102495364743_100000204670 [0,1,0,0,0,1|2,0,0]=4 5306 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102516607250_200000210301 [0,1,0,0,0,1|2,0,0]=4 5307 B12R1.50 CCN(C)Cc1cccc(c1)C 34a_102495364743_100000210202 [0,1,0,0,0,1|2,0,0]=4 5308 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 2230a_102516607250_200025704644 [0,1,0,0,0,1|2,0,0]=4 5309 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 269982a_102516607250_200025704644 [0,1,0,0,0,1|2,0,0]=4 5310 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [0,1,0,0,0,1|1,0,0]=3 5311 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [0,1,0,0,0,1|1,0,0]=3 5312 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [0,1,0,0,0,1|1,0,0]=3 5313 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,1,0,0,0,1|0,0,0]=2 5314 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,1,0,0,0,1|0,0,0]=2 5315 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,1,0,0,0,1|0,0,0]=2 5316 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,1,0,0,0,1|0,0,0]=2 5317 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [0,1,0,0,0,1|1,0,0]=3 5318 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [0,1,0,0,0,1|1,0,0]=3 5319 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [0,1,0,0,0,1|1,0,0]=3 5320 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [0,1,0,0,0,1|1,0,0]=3 5321 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [0,1,0,0,0,1|1,0,0]=3 5322 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [0,1,0,0,0,1|1,0,0]=3 5323 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [0,1,0,0,0,1|1,0,0]=3 5324 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [0,1,0,0,0,1|1,0,0]=3 5325 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [0,1,0,0,0,1|1,0,0]=3 5326 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [0,1,0,0,0,1|1,0,0]=3 5327 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [0,1,0,0,0,1|1,0,0]=3 5328 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [0,1,0,0,0,1|1,0,0]=3 5329 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,1,0,0,0,1|1,0,0]=3 5330 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,1,0,0,0,1|1,0,0]=3 5331 B12R1.50 CNC(=O)Cc1cccc(n1)Br 11a_106832991635_100010201708 [0,1,0,0,0,1|2,0,0]=4 5332 B12R1.50 CNC(=O)Cc1cccc(n1)Br 240690a_100102657272_100010201708 [0,1,0,0,0,1|2,0,0]=4 5333 B12R1.50 CNC(=O)Cc1cccc(n1)Br 527a_100102657272_100010201708 [0,1,0,0,0,1|2,0,0]=4 5334 B12R1.50 CNC(=O)Cc1cccc(n1)C 11a_106832991635_100012001110 [0,1,0,0,0,1|1,0,0]=3 5335 B12R1.50 CNC(=O)Cc1cccc(n1)C 1626a_100102657272_100012001110 [0,1,0,0,0,1|1,0,0]=3 5336 B12R1.50 CNC(=O)Cc1cccc(n1)C 240690a_100102657272_100012001110 [0,1,0,0,0,1|1,0,0]=3 5337 B12R1.50 CNC(=O)Cc1cccc(n1)C 527a_100102657272_100012001110 [0,1,0,0,0,1|1,0,0]=3 5338 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 11a_106832991635_100000090259 [0,1,0,0,0,1|2,0,0]=4 5339 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 1626a_100102657272_100000090259 [0,1,0,0,0,1|2,0,0]=4 5340 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 240690a_100102657272_100000090259 [0,1,0,0,0,1|2,0,0]=4 5341 B12R1.50 CNC(=O)Cc1cccc(n1)F 11a_106832991635_100000096803 [0,1,0,0,0,1|2,0,0]=4 5342 B12R1.50 CNC(=O)Cc1cccc(n1)F 1626a_100102657272_100000096803 [0,1,0,0,0,1|2,0,0]=4 5343 B12R1.50 CNC(=O)Cc1cccc(n1)F 240690a_100102657272_100000096803 [0,1,0,0,0,1|2,0,0]=4 5344 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 11a_106832991635_100010126891 [0,1,0,0,0,1|2,0,0]=4 5345 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 240690a_100102657272_100010126891 [0,1,0,0,0,1|2,0,0]=4 5346 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 527a_100102657272_100010126891 [0,1,0,0,0,1|2,0,0]=4 5347 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 11a_106832991635_100000085289 [0,1,0,0,0,1|2,0,0]=4 5348 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 1626a_100102657272_100000085289 [0,1,0,0,0,1|2,0,0]=4 5349 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 240690a_100102657272_100000085289 [0,1,0,0,0,1|2,0,0]=4 5350 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 527a_100102657272_100000085289 [0,1,0,0,0,1|2,0,0]=4 5351 B12R1.50 CNC(=O)Cc1cncc(c1)Br 11a_106832991635_100000239331 [0,1,0,0,0,1|2,0,0]=4 5352 B12R1.50 CNC(=O)Cc1cncc(c1)Br 240690a_100102657272_100000239331 [0,1,0,0,0,1|2,0,0]=4 5353 B12R1.50 CNC(=O)Cc1cncc(c1)Br 527a_100102657272_100000239331 [0,1,0,0,0,1|2,0,0]=4 5354 B12R1.50 CNC(=O)Cc1cncc(c1)F 11a_106832991635_100011667516 [0,1,0,0,0,1|2,0,0]=4 5355 B12R1.50 CNC(=O)Cc1cncc(c1)F 240690a_100102657272_100011667516 [0,1,0,0,0,1|2,0,0]=4 5356 B12R1.50 CNC(=O)Cc1cncc(c1)F 527a_100102657272_100011667516 [0,1,0,0,0,1|2,0,0]=4 5357 B12R1.50 CNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100102657272 [0,1,0,0,0,1|1,0,0]=3 5358 B12R1.50 CNC(=O)Nc1cccc(c1)Br 512a_100000210019_100102657272 [0,1,0,0,0,1|1,0,0]=3 5359 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,1,0,0,0,1|0,0,0]=2 5360 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,1,0,0,0,1|0,0,0]=2 5361 B12R1.50 CNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100102657272 [0,1,0,0,0,1|1,0,0]=3 5362 B12R1.50 CNC(=O)Nc1cccc(c1)F 2430a_100000210047_100102657272 [0,1,0,0,0,1|1,0,0]=3 5363 B12R1.50 CNC(=O)Nc1cccc(c1)F 512a_100000210047_100102657272 [0,1,0,0,0,1|1,0,0]=3 5364 B12R1.50 CNC(=O)Nc1cccc(c1)I 2430a_100000211102_100102657272 [0,1,0,0,0,1|1,0,0]=3 5365 B12R1.50 CNC(=O)Nc1cccc(c1)I 512a_100000211102_100102657272 [0,1,0,0,0,1|1,0,0]=3 5366 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [0,1,0,0,0,1|1,0,0]=3 5367 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [0,1,0,0,0,1|1,0,0]=3 5368 B12R1.50 COC(=O)Cc1cc(ccn1)O 271570a_203496583355_100010275543 [0,1,0,0,0,1|2,0,0]=4 5369 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [0,1,0,0,0,1|1,0,0]=3 5370 B12R1.50 COC(=O)Cc1cccc(n1)O 271570a_203496583355_100000094215 [0,1,0,0,0,1|2,0,0]=4 5371 B12R1.50 COC(=O)Cc1ccnc(c1)O 271570a_203496583355_100010135589 [0,1,0,0,0,1|2,0,0]=4 5372 B12R1.50 COC(C)Sc1cccc(c1)C 62a_100009879195_100011215228 [0,1,0,0,0,1|0,0,2]=4 5373 B12R1.50 COC(C)Sc1cccc(c1)C 62a_100011215228_100009879195 [0,1,0,0,0,1|0,0,2]=4 5374 B12R1.50 Cc1cc(ccn1)CC(=O)CO 1458a_100000210174_200020672517 [0,1,0,0,0,1|1,0,0]=3 5375 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [0,1,0,0,0,1|0,0,0]=2 5376 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [0,1,0,0,0,1|0,0,0]=2 5377 B12R1.50 Cc1cccc(c1)CN(C)CF 269982a_102495364743_100015361967 [0,1,0,0,0,1|2,0,0]=4 5378 B12R1.50 Cc1cccc(c1)CN(C)CF 34a_102495364743_100015361967 [0,1,0,0,0,1|2,0,0]=4 5379 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,1,0,0,0,1|0,0,0]=2 5380 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,1,0,0,0,1|0,0,0]=2 5381 B12R1.50 Cc1cccc(c1)NC(C)C#N 2230a_100000188690_100000184139 [0,1,0,0,0,1|1,0,1]=4 5382 B12R1.50 Cc1cccc(c1)NC(C)CO 2230a_100000188690_100012180447 [0,1,0,0,0,1|0,0,2]=4 5383 B12R1.50 Cc1cccc(c1)NC(C)CO 34a_100000188690_100012180447 [0,1,0,0,0,1|0,0,2]=4 5384 B12R1.50 Cc1cccc(c1)OC(C)C#N 7a_100000210337_100000703298 [0,1,0,0,0,1|1,0,1]=4 5385 B12R1.50 Cc1cccc(c1)OC(C)CO 34a_100000210337_100012180447 [0,1,0,0,0,1|0,0,2]=4 5386 B12R1.50 Cc1cccc(c1)OC(C)CO 7a_100000210337_100012180447 [0,1,0,0,0,1|0,0,2]=4 5387 B12R1.50 Cc1cccc(c1)SC(C)C#N 62a_100000703298_100011215228 [0,1,0,0,0,1|1,0,1]=4 5388 B12R1.50 Cc1cccc(c1)SC(C)C#N 62a_100011215228_100000703298 [0,1,0,0,0,1|1,0,1]=4 5389 B12R1.50 Cc1cccc(c1)SC(C)CO 62a_100012180447_100011215228 [0,1,0,0,0,1|0,0,2]=4 5390 B12R1.50 Cc1cccc(c1)S[C@H](C)CO 62a_100011215228_100016084084 [0,1,0,0,0,1|0,0,2]=4 5391 B12R1.50 Cc1cccc(c1)S[C@H](C)CO 62a_100016084084_100011215228 [0,1,0,0,0,1|0,0,2]=4 5392 B12R1.50 Cc1cccc(n1)CC(=O)CF 1458a_100012001110_100015361967 [0,1,0,0,0,1|1,0,0]=3 5393 B12R1.50 Cc1cccc(n1)CC(=O)CO 1458a_100000210174_100000757606 [0,1,0,0,0,1|1,0,0]=3 5394 B12R1.50 Cc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000718516 [0,1,0,0,0,1|1,0,0]=3 5395 B12R1.50 Cc1cncc(c1)CC(=O)CO 1458a_100000210174_100000716715 [0,1,0,0,0,1|1,0,0]=3 5396 B12R1.50 O=C(CF)Cc1cccc(c1)Br 1458a_100000747190_100015361967 [0,1,0,0,0,1|1,0,0]=3 5397 B12R1.50 O=C(CF)Cc1cccc(c1)Cl 1458a_100000749307_100015361967 [0,1,0,0,0,1|1,0,0]=3 5398 B12R1.50 O=C(CF)Cc1cccc(c1)F 1458a_100000211661_100015361967 [0,1,0,0,0,1|1,0,0]=3 5399 B12R1.50 O=C(CF)Cc1cccc(c1)I 1458a_100000238430_100015361967 [0,1,0,0,0,1|1,0,0]=3 5400 B12R1.50 O=C(CF)Cc1cccc(c1)O 1458a_100000745134_100015361967 [0,1,0,0,0,1|1,0,0]=3 5401 B12R1.50 O=C(CF)Cc1cccc(n1)Br 1458a_100010201708_100015361967 [0,1,0,0,0,1|2,0,0]=4 5402 B12R1.50 O=C(CF)Cc1cccc(n1)Cl 1458a_100000090259_100015361967 [0,1,0,0,0,1|2,0,0]=4 5403 B12R1.50 O=C(CF)Cc1cccc(n1)F 1458a_100000096803_100015361967 [0,1,0,0,0,1|2,0,0]=4 5404 B12R1.50 O=C(CF)Cc1ccnc(c1)Br 1458a_100010126891_100015361967 [0,1,0,0,0,1|2,0,0]=4 5405 B12R1.50 O=C(CF)Cc1cncc(c1)Br 1458a_100000239331_100015361967 [0,1,0,0,0,1|2,0,0]=4 5406 B12R1.50 O=C(CF)Cc1cncc(c1)F 1458a_100011667516_100015361967 [0,1,0,0,0,1|2,0,0]=4 5407 B12R1.50 O=C(CO)Cc1cc(ccn1)Br 1458a_100000210174_100010173614 [0,1,0,0,0,1|2,0,0]=4 5408 B12R1.50 O=C(CO)Cc1cc(ccn1)Cl 1458a_100000210174_100016988179 [0,1,0,0,0,1|2,0,0]=4 5409 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [0,1,0,0,0,1|1,0,0]=3 5410 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [0,1,0,0,0,1|1,0,0]=3 5411 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [0,1,0,0,0,1|1,0,0]=3 5412 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [0,1,0,0,0,1|1,0,0]=3 5413 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [0,1,0,0,0,1|1,0,0]=3 5414 B12R1.50 O=C(CO)Cc1cccc(n1)Br 1458a_100000210174_100009889011 [0,1,0,0,0,1|2,0,0]=4 5415 B12R1.50 O=C(CO)Cc1cccc(n1)Cl 1458a_100000210174_100000086093 [0,1,0,0,0,1|2,0,0]=4 5416 B12R1.50 O=C(CO)Cc1cccc(n1)F 1458a_100000210174_100009819644 [0,1,0,0,0,1|2,0,0]=4 5417 B12R1.50 O=C(CO)Cc1ccnc(c1)Br 1458a_100000210174_100010243470 [0,1,0,0,0,1|2,0,0]=4 5418 B12R1.50 O=C(CO)Cc1ccnc(c1)Cl 1458a_100000210174_100000764220 [0,1,0,0,0,1|2,0,0]=4 5419 B12R1.50 O=C(CO)Cc1cncc(c1)Br 1458a_100000210174_100011740620 [0,1,0,0,0,1|2,0,0]=4 5420 B12R1.50 O=C(CO)Cc1cncc(c1)Cl 1458a_100000210174_100016992070 [0,1,0,0,0,1|2,0,0]=4 5421 B12R1.50 O=C(CO)Cc1cncc(c1)F 1458a_100000210174_100000725299 [0,1,0,0,0,1|2,0,0]=4 5422 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [0,1,0,0,0,1|1,0,0]=3 5423 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [0,1,0,0,0,1|1,0,0]=3 5424 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [0,1,0,0,0,1|1,0,0]=3 5425 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [0,1,0,0,0,1|1,0,0]=3 5426 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [0,1,0,0,0,1|1,0,0]=3 5427 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [0,1,0,0,0,1|1,0,0]=3 5428 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [0,1,0,0,0,1|1,0,0]=3 5429 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,1,0,0,0,1|1,0,0]=3 5430 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,1,0,0,0,1|1,0,0]=3 5431 B12R1.101 CC(=Cc1cc([nH]c(=O)c1)C)C 271570a_100102525489_100009861981 [0,1,0,0,0,1|2,0,0]=4 5432 B12R1.101 CC(=Cc1cc(cc(c1)Br)Br)C 271570a_100102525489_100009814770 [0,1,0,0,0,1|2,0,0]=4 5433 B12R1.101 CC(=Cc1cc(cc(c1)Br)Cl)C 271570a_100102525489_100009814755 [0,1,0,0,0,1|2,0,0]=4 5434 B12R1.101 CC(=Cc1cc(cc(c1)Br)F)C 271570a_100102525489_100009814764 [0,1,0,0,0,1|2,0,0]=4 5435 B12R1.101 CC(=Cc1cc(cc(c1)Br)N)C 271570a_100102525489_100009814763 [0,1,0,0,0,1|2,0,0]=4 5436 B12R1.101 CC(=Cc1cc(cc(c1)Br)O)C 271570a_100102525489_100010068917 [0,1,0,0,0,1|2,0,0]=4 5437 B12R1.101 CC(=Cc1cc(cc(c1)C)C)C 271570a_100102525489_100011215608 [0,1,0,0,0,1|1,0,0]=3 5438 B12R1.101 CC(=Cc1cc(cc(c1)Cl)C)C 271570a_100102525489_100010172791 [0,1,0,0,0,1|1,0,0]=3 5439 B12R1.101 CC(=Cc1cc(cc(c1)Cl)Cl)C 271570a_100102525489_100000747138 [0,1,0,0,0,1|2,0,0]=4 5440 B12R1.101 CC(=Cc1cc(cc(c1)Cl)F)C 271570a_100102525489_100013859453 [0,1,0,0,0,1|2,0,0]=4 5441 B12R1.101 CC(=Cc1cc(cc(c1)Cl)N)C 271570a_100102525489_100010147676 [0,1,0,0,0,1|2,0,0]=4 5442 B12R1.101 CC(=Cc1cc(cc(c1)Cl)O)C 271570a_100102525489_100010068924 [0,1,0,0,0,1|2,0,0]=4 5443 B12R1.101 CC(=Cc1cc(cc(c1)F)C)C 271570a_100102525489_100011356977 [0,1,0,0,0,1|1,0,0]=3 5444 B12R1.101 CC(=Cc1cc(cc(c1)F)F)C 271570a_100102525489_100011218498 [0,1,0,0,0,1|2,0,0]=4 5445 B12R1.101 CC(=Cc1cc(cc(c1)F)N)C 271570a_100102525489_100011356972 [0,1,0,0,0,1|2,0,0]=4 5446 B12R1.101 CC(=Cc1cc(cc(c1)F)O)C 271570a_100102525489_100000717995 [0,1,0,0,0,1|2,0,0]=4 5447 B12R1.101 CC(=Cc1cc(cc(c1)N)C)C 271570a_100102525489_100000695972 [0,1,0,0,0,1|1,0,0]=3 5448 B12R1.101 CC(=Cc1cc(cc(c1)N)N)C 271570a_100102525489_100011999608 [0,1,0,0,0,1|2,0,0]=4 5449 B12R1.101 CC(=Cc1cc(cc(c1)O)C)C 271570a_100102525489_100011999630 [0,1,0,0,0,1|1,0,0]=3 5450 B12R1.101 CC(=Cc1cc(cc(c1)O)O)C 271570a_100102525489_100009868816 [0,1,0,0,0,1|2,0,0]=4 5451 B12R1.101 CC(=Cc1cc(cc(n1)C)C)C 271570a_100102525489_100000069240 [0,1,0,0,0,1|2,0,0]=4 5452 B12R1.101 CC(=Cc1cc(cc(n1)F)C)C 271570a_100102525489_100009819601 [0,1,0,0,0,1|2,0,0]=4 5453 B12R1.101 CC(=Cc1cc(cc(n1)N)C)C 271570a_100102525489_100009819863 [0,1,0,0,0,1|2,0,0]=4 5454 B12R1.101 CC(=Cc1cc(nc(c1)C)C)C 271570a_100102525489_100009816552 [0,1,0,0,0,1|2,0,0]=4 5455 B12R1.101 CC(=Cc1cc(nc(c1)F)C)C 271570a_100102525489_100010006595 [0,1,0,0,0,1|2,0,0]=4 5456 B12R1.101 CC(=Cc1cc(nc(c1)N)C)C 271570a_100102525489_100000076705 [0,1,0,0,0,1|2,0,0]=4 5457 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)Br 1458a_100000070787_100011216082 [0,1,0,0,0,1|1,0,0]=3 5458 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)Br 1458a_100010186705_200000210301 [0,1,0,0,0,1|1,0,0]=3 5459 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)C 1458a_100000070787_100012348363 [0,1,0,0,0,1|0,0,0]=2 5460 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)F 1458a_100000070787_100000766940 [0,1,0,0,0,1|1,0,0]=3 5461 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)F 1458a_100011935118_200000210301 [0,1,0,0,0,1|1,0,0]=3 5462 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100000070787_100000181317 [0,1,0,0,0,1|0,0,0]=2 5463 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100011202310_200000210301 [0,1,0,0,0,1|0,0,0]=2 5464 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100000070787_100011219208 [0,1,0,0,0,1|1,0,0]=3 5465 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_200000210301 [0,1,0,0,0,1|1,0,0]=3 5466 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)F 1458a_100000070787_100011219885 [0,1,0,0,0,1|1,0,0]=3 5467 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)F 1458a_100011217690_200000210301 [0,1,0,0,0,1|1,0,0]=3 5468 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100000070787_100011219130 [0,1,0,0,0,1|0,0,0]=2 5469 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100011216671_200000210301 [0,1,0,0,0,1|0,0,0]=2 5470 B12R1.101 CC(=O)Cc1cc(cc(c1)F)F 1458a_100000070787_100000697002 [0,1,0,0,0,1|1,0,0]=3 5471 B12R1.101 CC(=O)Cc1cc(cc(c1)F)F 1458a_100011220011_200000210301 [0,1,0,0,0,1|1,0,0]=3 5472 B12R1.101 CC(=O)Cc1cc(cc(c1)I)Br 1458a_100000070787_100010146614 [0,1,0,0,0,1|1,0,0]=3 5473 B12R1.101 CC(=O)Cc1cc(cc(c1)I)F 1458a_100000070787_100010149605 [0,1,0,0,0,1|1,0,0]=3 5474 B12R1.101 CC(=O)Cc1cc(cc(n1)C)C 1458a_100000070787_100012357514 [0,1,0,0,0,1|1,0,0]=3 5475 B12R1.101 CC(=O)Cc1cc(nc(c1)C)C 1458a_100000070787_200000139866 [0,1,0,0,0,1|1,0,0]=3 5476 B12R1.101 CC(=O)Cc1cc(nc(c1)Cl)Cl 1458a_100000070787_100000052781 [0,1,0,0,0,1|2,0,0]=4 5477 B12R1.101 CC(=O)Cc1nc(cc(n1)C)C 1458a_100000070787_100011935097 [0,1,0,0,0,1|2,0,0]=4 5478 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Br 11a_100012047176_100015343762 [0,1,0,0,0,1|1,0,0]=3 5479 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Br 1626a_100012047176_100015343762 [0,1,0,0,0,1|1,0,0]=3 5480 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Br 22a_100012047176_100000070787 [0,1,0,0,0,1|1,0,0]=3 5481 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Br 527a_100012047176_100103153847 [0,1,0,0,0,1|1,0,0]=3 5482 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 11a_100000695972_100015343762 [0,1,0,0,0,1|0,0,0]=2 5483 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 1626a_100000695972_100015343762 [0,1,0,0,0,1|0,0,0]=2 5484 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 22a_100000695972_100000070787 [0,1,0,0,0,1|0,0,0]=2 5485 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 527a_100000695972_100103153847 [0,1,0,0,0,1|0,0,0]=2 5486 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Cl 11a_100011934539_100015343762 [0,1,0,0,0,1|1,0,0]=3 5487 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Cl 1626a_100011934539_100015343762 [0,1,0,0,0,1|1,0,0]=3 5488 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Cl 22a_100011934539_100000070787 [0,1,0,0,0,1|1,0,0]=3 5489 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)F 11a_100000705686_100015343762 [0,1,0,0,0,1|1,0,0]=3 5490 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)F 1626a_100000705686_100015343762 [0,1,0,0,0,1|1,0,0]=3 5491 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)F 22a_100000705686_100000070787 [0,1,0,0,0,1|1,0,0]=3 5492 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 11a_100000210930_100015343762 [0,1,0,0,0,1|0,0,0]=2 5493 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 1626a_100000210930_100015343762 [0,1,0,0,0,1|0,0,0]=2 5494 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 22a_100000210930_100000070787 [0,1,0,0,0,1|0,0,0]=2 5495 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 527a_100000210930_100103153847 [0,1,0,0,0,1|0,0,0]=2 5496 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 11a_100012022512_100015343762 [0,1,0,0,0,1|0,0,0]=2 5497 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 1626a_100012022512_100015343762 [0,1,0,0,0,1|0,0,0]=2 5498 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 22a_100012022512_100000070787 [0,1,0,0,0,1|0,0,0]=2 5499 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl 11a_100000210456_100015343762 [0,1,0,0,0,1|1,0,0]=3 5500 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl 1626a_100000210456_100015343762 [0,1,0,0,0,1|1,0,0]=3 5501 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl 22a_100000210456_100000070787 [0,1,0,0,0,1|1,0,0]=3 5502 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)F 11a_100000686136_100015343762 [0,1,0,0,0,1|1,0,0]=3 5503 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)F 1626a_100000686136_100015343762 [0,1,0,0,0,1|1,0,0]=3 5504 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)F 22a_100000686136_100000070787 [0,1,0,0,0,1|1,0,0]=3 5505 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)O 1626a_100000123917_100015343762 [0,1,0,0,0,1|1,0,0]=3 5506 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)O 22a_100000123917_100000070787 [0,1,0,0,0,1|1,0,0]=3 5507 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 11a_100000742734_100015343762 [0,1,0,0,0,1|0,0,0]=2 5508 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 1626a_100000742734_100015343762 [0,1,0,0,0,1|0,0,0]=2 5509 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 22a_100000742734_100000070787 [0,1,0,0,0,1|0,0,0]=2 5510 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 527a_100000742734_100103153847 [0,1,0,0,0,1|0,0,0]=2 5511 B12R1.101 CC(=O)Nc1cc(cc(c1)F)F 11a_100000233717_100015343762 [0,1,0,0,0,1|1,0,0]=3 5512 B12R1.101 CC(=O)Nc1cc(cc(c1)F)F 1626a_100000233717_100015343762 [0,1,0,0,0,1|1,0,0]=3 5513 B12R1.101 CC(=O)Nc1cc(cc(c1)F)F 22a_100000233717_100000070787 [0,1,0,0,0,1|1,0,0]=3 5514 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Br 11a_100009814763_100015343762 [0,1,0,0,0,1|1,0,0]=3 5515 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Br 1626a_100009814763_100015343762 [0,1,0,0,0,1|1,0,0]=3 5516 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Br 22a_100009814763_100000070787 [0,1,0,0,0,1|1,0,0]=3 5517 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Br 527a_100009814763_100103153847 [0,1,0,0,0,1|1,0,0]=3 5518 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Cl 11a_100010147676_100015343762 [0,1,0,0,0,1|1,0,0]=3 5519 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Cl 1626a_100010147676_100015343762 [0,1,0,0,0,1|1,0,0]=3 5520 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Cl 22a_100010147676_100000070787 [0,1,0,0,0,1|1,0,0]=3 5521 B12R1.101 CC(=O)Nc1cc(cc(c1)I)F 11a_100011356972_100015343762 [0,1,0,0,0,1|1,0,0]=3 5522 B12R1.101 CC(=O)Nc1cc(cc(c1)I)F 1626a_100011356972_100015343762 [0,1,0,0,0,1|1,0,0]=3 5523 B12R1.101 CC(=O)Nc1cc(cc(c1)I)F 22a_100011356972_100000070787 [0,1,0,0,0,1|1,0,0]=3 5524 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 11a_200000696836_100015343762 [0,1,0,0,0,1|1,0,0]=3 5525 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 1626a_200000696836_100015343762 [0,1,0,0,0,1|1,0,0]=3 5526 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 22a_200000696836_100000070787 [0,1,0,0,0,1|1,0,0]=3 5527 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 527a_200000696836_100103153847 [0,1,0,0,0,1|1,0,0]=3 5528 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100015343762 [0,1,0,0,0,1|0,0,0]=2 5529 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000070787 [0,1,0,0,0,1|0,0,0]=2 5530 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 527a_100011995906_100103153847 [0,1,0,0,0,1|0,0,0]=2 5531 B12R1.101 CC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100103153847 [0,1,0,0,0,1|1,0,0]=3 5532 B12R1.101 CC(=O)Oc1cc(cc(c1)F)O 271570a_203496583355_200015324874 [0,1,0,0,0,1|1,0,0]=3 5533 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])C 1458a_100011202310_200025704644 [0,1,0,0,0,1|0,0,0]=2 5534 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])F 1458a_100011216671_200025704644 [0,1,0,0,0,1|0,0,0]=2 5535 B12R1.101 Cc1cc(cc(c1)CN(C)C)Br 2230a_100102631434_100012348363 [0,1,0,0,0,1|2,0,0]=4 5536 B12R1.101 Cc1cc(cc(c1)CN(C)C)Br 269982a_100102631434_100012348363 [0,1,0,0,0,1|2,0,0]=4 5537 B12R1.101 Cc1cc(cc(c1)CN(C)C)Br 270004a_100102631434_100000686105 [0,1,0,0,0,1|2,0,0]=4 5538 B12R1.101 Cc1cc(cc(c1)CN(C)C)C 2230a_100102631434_100000181317 [0,1,0,0,0,1|2,0,0]=4 5539 B12R1.101 Cc1cc(cc(c1)CN(C)C)C 269982a_100102631434_100000181317 [0,1,0,0,0,1|2,0,0]=4 5540 B12R1.101 Cc1cc(cc(c1)CN(C)C)C 270004a_100102631434_100000745632 [0,1,0,0,0,1|2,0,0]=4 5541 B12R1.101 Cc1cc(cc(c1)CN(C)C)Cl 270004a_100102631434_100000684525 [0,1,0,0,0,1|2,0,0]=4 5542 B12R1.101 Cc1cc(cc(c1)CN(C)C)F 2230a_100102631434_100011219130 [0,1,0,0,0,1|2,0,0]=4 5543 B12R1.101 Cc1cc(cc(c1)CN(C)C)F 269982a_100102631434_100011219130 [0,1,0,0,0,1|2,0,0]=4 5544 B12R1.101 Cc1cc(cc(c1)CN(C)C)F 270004a_100102631434_100011217087 [0,1,0,0,0,1|2,0,0]=4 5545 B12R1.101 Cc1cc(cc(c1)CN(C)C)O 270004a_100102631434_100009853434 [0,1,0,0,0,1|2,0,0]=4 5546 B12R1.101 Cc1cc(cc(c1)NC(C)C)Br 34a_100000695972_100000210206 [0,1,0,0,0,1|1,0,1]=4 5547 B12R1.101 Cc1cc(cc(c1)NC(C)C)Br 7a_100000695972_100000210206 [0,1,0,0,0,1|1,0,1]=4 5548 B12R1.101 Cc1cc(cc(c1)NC(C)C)C 2230a_100000210930_100000210206 [0,1,0,0,0,1|1,0,1]=4 5549 B12R1.101 Cc1cc(cc(c1)NC(C)C)C 34a_100000210930_100000210206 [0,1,0,0,0,1|1,0,1]=4 5550 B12R1.101 Cc1cc(cc(c1)NC(C)C)C 7a_100000210930_100000210206 [0,1,0,0,0,1|1,0,1]=4 5551 B12R1.101 Cc1cc(cc(c1)NC(C)C)Cl 2230a_100012022512_100000210206 [0,1,0,0,0,1|1,0,1]=4 5552 B12R1.101 Cc1cc(cc(c1)NC(C)C)Cl 34a_100012022512_100000210206 [0,1,0,0,0,1|1,0,1]=4 5553 B12R1.101 Cc1cc(cc(c1)NC(C)C)Cl 7a_100012022512_100000210206 [0,1,0,0,0,1|1,0,1]=4 5554 B12R1.101 Cc1cc(cc(c1)NC(C)C)F 2230a_100000742734_100000210206 [0,1,0,0,0,1|1,0,1]=4 5555 B12R1.101 Cc1cc(cc(c1)NC(C)C)F 34a_100000742734_100000210206 [0,1,0,0,0,1|1,0,1]=4 5556 B12R1.101 Cc1cc(cc(c1)NC(C)C)F 7a_100000742734_100000210206 [0,1,0,0,0,1|1,0,1]=4 5557 B12R1.101 Cc1cc(cc(c1)NC(C)C)O 34a_100011995906_100000210206 [0,1,0,0,0,1|1,0,1]=4 5558 B12R1.101 Cc1cc(cc(c1)NC(C)C)O 7a_100011995906_100000210206 [0,1,0,0,0,1|1,0,1]=4 5559 B12R1.101 Cc1cc(cc(c1)OC(C)C)Br 34a_100011999630_100000210206 [0,1,0,0,0,1|1,0,1]=4 5560 B12R1.101 Cc1cc(cc(c1)OC(C)C)Br 7a_100011999630_100000210206 [0,1,0,0,0,1|1,0,1]=4 5561 B12R1.101 Cc1cc(cc(c1)OC(C)C)C 34a_100000210933_100000210206 [0,1,0,0,0,1|1,0,1]=4 5562 B12R1.101 Cc1cc(cc(c1)OC(C)C)C 7a_100000210933_100000210206 [0,1,0,0,0,1|1,0,1]=4 5563 B12R1.101 Cc1cc(cc(c1)OC(C)C)Cl 34a_100000087485_100000210206 [0,1,0,0,0,1|1,0,1]=4 5564 B12R1.101 Cc1cc(cc(c1)OC(C)C)Cl 7a_100000087485_100000210206 [0,1,0,0,0,1|1,0,1]=4 5565 B12R1.101 Cc1cc(cc(c1)OC(C)C)F 34a_100011830401_100000210206 [0,1,0,0,0,1|1,0,1]=4 5566 B12R1.101 Cc1cc(cc(c1)OC(C)C)F 7a_100011830401_100000210206 [0,1,0,0,0,1|1,0,1]=4 5567 B12R1.101 Cc1cc(cc(c1)OC(C)C)N 34a_100011995906_100000210206 [0,1,0,0,0,1|1,0,1]=4 5568 B12R1.101 Cc1cc(cc(c1)OC(C)C)N 7a_100011995906_100000210206 [0,1,0,0,0,1|1,0,1]=4 5569 B12R1.101 Cc1cc(cc(c1)SC(C)C)C 62a_100000210206_100011215608 [0,1,0,0,0,1|1,0,1]=4 5570 B12R1.101 Cc1cc(cc(c1)SC(C)C)C 62a_100011215608_100000210206 [0,1,0,0,0,1|1,0,1]=4 5571 B12R1.101 Cc1cc(cc(c1)SC(C)C)Cl 62a_100000210206_100010172791 [0,1,0,0,0,1|1,0,1]=4 5572 B12R1.101 Cc1cc(cc(c1)SC(C)C)Cl 62a_100010172791_100000210206 [0,1,0,0,0,1|1,0,1]=4 5573 B12R1.101 Cc1cc(cc(c1)SC(C)C)F 62a_100000210206_100011356977 [0,1,0,0,0,1|1,0,1]=4 5574 B12R1.101 Cc1cc(cc(c1)SC(C)C)F 62a_100011356977_100000210206 [0,1,0,0,0,1|1,0,1]=4 5575 B12R1.101 Cc1cc(cc(c1)SC(C)C)N 62a_100000210206_100000695972 [0,1,0,0,0,1|1,0,1]=4 5576 B12R1.101 Cc1cc(cc(c1)SC(C)C)N 62a_100000695972_100000210206 [0,1,0,0,0,1|1,0,1]=4 5577 B12R1.101 Cc1cc(cc(c1)SC(C)C)O 62a_100000210206_100011999630 [0,1,0,0,0,1|1,0,1]=4 5578 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Br)Br 1458a_100010186705_200025704644 [0,1,0,0,0,1|1,0,0]=3 5579 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Br)F 1458a_100011935118_200025704644 [0,1,0,0,0,1|1,0,0]=3 5580 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_200025704644 [0,1,0,0,0,1|1,0,0]=3 5581 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Cl)F 1458a_100011217690_200025704644 [0,1,0,0,0,1|1,0,0]=3 5582 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)F)F 1458a_100011220011_200025704644 [0,1,0,0,0,1|1,0,0]=3 5583 B12R1.119 CS(=O)(=O)Cc1cccc(c1)O 271570a_203496583355_200009814643 [0,1,0,0,0,1|2,0,0]=4 5584 B12R1.119 CS(=O)(=O)Nc1cccc(c1)Br 40a_100000210019_100000738038 [0,1,0,0,0,1|2,0,0]=4 5585 B12R1.119 CS(=O)(=O)Nc1cccc(c1)Cl 40a_100000185859_100000738038 [0,1,0,0,0,1|2,0,0]=4 5586 B12R1.119 CS(=O)(=O)Nc1cccc(c1)F 40a_100000210047_100000738038 [0,1,0,0,0,1|2,0,0]=4 5587 B12R1.119 CS(=O)(=O)Nc1cccc(c1)I 40a_100000211102_100000738038 [0,1,0,0,0,1|2,0,0]=4 5588 B12R1.119 CS(=O)(=O)Nc1cccc(c1)O 271570a_203496583355_100000165606 [0,1,0,0,0,1|2,0,0]=4 5589 B12R1.119 CS(=O)(=O)Nc1cccc(c1)O 40a_100000210217_100000738038 [0,1,0,0,0,1|2,0,0]=4 5590 B12R1.119 Cc1cccc(c1)NC(C)(C)C 34a_100000188690_100000210625 [0,1,0,0,0,1|1,0,1]=4 5591 B12R1.119 Cc1cccc(c1)NS(=O)(=O)C 40a_100000188690_100000738038 [0,1,0,0,0,1|1,0,0]=3 5592 B12R1.119 Cc1cccc(c1)OC(C)(C)C 34a_100000210337_100000210625 [0,1,0,0,0,1|1,0,1]=4 5593 B12R1.119 Cc1cccc(c1)SC(C)(C)C 62a_100000211941_100011215228 [0,1,0,0,0,1|1,0,1]=4 5594 B12R1.119 Cc1cccc(c1)SC(C)(C)C 62a_100011215228_100000211941 [0,1,0,0,0,1|1,0,1]=4 5595 B12R1.127 CC(=Cc1cc(ccc1Br)Br)C 271570a_100102525489_100011483371 [0,1,0,0,0,1|2,0,0]=4 5596 B12R1.127 CC(=Cc1cc(ccc1Br)C)C 271570a_100102525489_100012353751 [0,1,0,0,0,1|1,0,0]=3 5597 B12R1.127 CC(=Cc1cc(ccc1Br)Cl)C 271570a_100102525489_100012339723 [0,1,0,0,0,1|2,0,0]=4 5598 B12R1.127 CC(=Cc1cc(ccc1Br)F)C 271570a_100102525489_100011217576 [0,1,0,0,0,1|2,0,0]=4 5599 B12R1.127 CC(=Cc1cc(ccc1Br)N)C 271570a_100102525489_100000750459 [0,1,0,0,0,1|2,0,0]=4 5600 B12R1.127 CC(=Cc1cc(ccc1Br)O)C 271570a_100102525489_100012339312 [0,1,0,0,0,1|2,0,0]=4 5601 B12R1.127 CC(=Cc1cc(ccc1C)Br)C 271570a_100102525489_100011344865 [0,1,0,0,0,1|2,0,0]=4 5602 B12R1.127 CC(=Cc1cc(ccc1C)C)C 271570a_100102525489_100000210833 [0,1,0,0,0,1|1,0,0]=3 5603 B12R1.127 CC(=Cc1cc(ccc1C)Cl)C 271570a_100102525489_100011263213 [0,1,0,0,0,1|2,0,0]=4 5604 B12R1.127 CC(=Cc1cc(ccc1C)F)C 271570a_100102525489_100011218078 [0,1,0,0,0,1|2,0,0]=4 5605 B12R1.127 CC(=Cc1cc(ccc1C)N)C 271570a_100102525489_100000736455 [0,1,0,0,0,1|2,0,0]=4 5606 B12R1.127 CC(=Cc1cc(ccc1C)O)C 271570a_100102525489_100011380479 [0,1,0,0,0,1|2,0,0]=4 5607 B12R1.127 CC(=Cc1cc(ccc1Cl)Br)C 271570a_100102525489_100011772130 [0,1,0,0,0,1|2,0,0]=4 5608 B12R1.127 CC(=Cc1cc(ccc1Cl)C)C 271570a_100102525489_100012356289 [0,1,0,0,0,1|1,0,0]=3 5609 B12R1.127 CC(=Cc1cc(ccc1Cl)Cl)C 271570a_100102525489_100000707729 [0,1,0,0,0,1|2,0,0]=4 5610 B12R1.127 CC(=Cc1cc(ccc1Cl)F)C 271570a_100102525489_100011217299 [0,1,0,0,0,1|2,0,0]=4 5611 B12R1.127 CC(=Cc1cc(ccc1Cl)N)C 271570a_100102525489_100012360549 [0,1,0,0,0,1|2,0,0]=4 5612 B12R1.127 CC(=Cc1cc(ccc1Cl)O)C 271570a_100102525489_100000049588 [0,1,0,0,0,1|2,0,0]=4 5613 B12R1.127 CC(=Cc1cc(ccc1F)Br)C 271570a_100102525489_100011217312 [0,1,0,0,0,1|2,0,0]=4 5614 B12R1.127 CC(=Cc1cc(ccc1F)C)C 271570a_100102525489_100000736223 [0,1,0,0,0,1|1,0,0]=3 5615 B12R1.127 CC(=Cc1cc(ccc1F)Cl)C 271570a_100102525489_100011218116 [0,1,0,0,0,1|2,0,0]=4 5616 B12R1.127 CC(=Cc1cc(ccc1F)F)C 271570a_100102525489_100000750033 [0,1,0,0,0,1|2,0,0]=4 5617 B12R1.127 CC(=Cc1cc(ccc1F)N)C 271570a_100102525489_100000760356 [0,1,0,0,0,1|2,0,0]=4 5618 B12R1.127 CC(=Cc1cc(ccc1F)O)C 271570a_100102525489_100000693481 [0,1,0,0,0,1|2,0,0]=4 5619 B12R1.127 CC(=Cc1cc(ccc1N)Br)C 271570a_100102525489_100000187925 [0,1,0,0,0,1|2,0,0]=4 5620 B12R1.127 CC(=Cc1cc(ccc1N)C)C 271570a_100102525489_100000210942 [0,1,0,0,0,1|1,0,0]=3 5621 B12R1.127 CC(=Cc1cc(ccc1N)Cl)C 271570a_100102525489_100000761889 [0,1,0,0,0,1|2,0,0]=4 5622 B12R1.127 CC(=Cc1cc(ccc1N)F)C 271570a_100102525489_100000760547 [0,1,0,0,0,1|2,0,0]=4 5623 B12R1.127 CC(=Cc1cc(ccc1N)N)C 271570a_100102525489_100011534242 [0,1,0,0,0,1|2,0,0]=4 5624 B12R1.127 CC(=Cc1cc(ccc1N)O)C 271570a_100102525489_100012001276 [0,1,0,0,0,1|2,0,0]=4 5625 B12R1.127 CC(=Cc1cc(ccc1O)Br)C 271570a_100102525489_100012355227 [0,1,0,0,0,1|2,0,0]=4 5626 B12R1.127 CC(=Cc1cc(ccc1O)C)C 271570a_100102525489_100000765521 [0,1,0,0,0,1|1,0,0]=3 5627 B12R1.127 CC(=Cc1cc(ccc1O)Cl)C 271570a_100102525489_100011356953 [0,1,0,0,0,1|2,0,0]=4 5628 B12R1.127 CC(=Cc1cc(ccc1O)F)C 271570a_100102525489_100000211999 [0,1,0,0,0,1|2,0,0]=4 5629 B12R1.127 CC(=Cc1cc(ccc1O)N)C 271570a_100102525489_100011534360 [0,1,0,0,0,1|2,0,0]=4 5630 B12R1.127 CC(=Cc1cc(ccc1O)O)C 271570a_100102525489_100009813629 [0,1,0,0,0,1|2,0,0]=4 5631 B12R1.127 CC(=Cc1cc(cnc1C)C)C 271570a_100102525489_100009817436 [0,1,0,0,0,1|2,0,0]=4 5632 B12R1.127 CC(=Cc1cc(cnc1Cl)C)C 271570a_100102525489_100010210167 [0,1,0,0,0,1|2,0,0]=4 5633 B12R1.127 CC(=Cc1cc(cnc1F)C)C 271570a_100102525489_100000049784 [0,1,0,0,0,1|2,0,0]=4 5634 B12R1.127 CC(=Cc1cc(cnc1N)C)C 271570a_100102525489_100000049664 [0,1,0,0,0,1|2,0,0]=4 5635 B12R1.127 CC(=Cc1cc(cnc1O)C)C 271570a_100102525489_100000049931 [0,1,0,0,0,1|2,0,0]=4 5636 B12R1.127 CC(=Cc1cc(ncc1C)C)C 271570a_100102525489_100009862788 [0,1,0,0,0,1|2,0,0]=4 5637 B12R1.127 CC(=Cc1cc(ncc1F)C)C 271570a_100102525489_100009867690 [0,1,0,0,0,1|2,0,0]=4 5638 B12R1.127 CC(=Cc1cc(ncc1O)C)C 271570a_100102525489_100009843476 [0,1,0,0,0,1|2,0,0]=4 5639 B12R1.127 CC(=Cc1cn(ccc1=O)C)C 271570a_100102525489_100010750718 [0,1,0,0,0,1|2,0,0]=4 5640 B12R1.127 CC(=Cc1nc(ccc1C)C)C 271570a_100102525489_100009854376 [0,1,0,0,0,1|2,0,0]=4 5641 B12R1.127 CC(=Cc1nc(ccc1F)C)C 271570a_100102525489_100009817602 [0,1,0,0,0,1|2,0,0]=4 5642 B12R1.127 CC(=Cc1nc(ccc1N)C)C 271570a_100102525489_100000685570 [0,1,0,0,0,1|2,0,0]=4 5643 B12R1.127 CC(=Cc1nc(ccc1O)C)C 271570a_100102525489_100000702858 [0,1,0,0,0,1|2,0,0]=4 5644 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100000070787_100011982794 [0,1,0,0,0,1|1,0,0]=3 5645 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200000210301 [0,1,0,0,0,1|1,0,0]=3 5646 B12R1.127 CC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_200000210301 [0,1,0,0,0,1|0,0,0]=2 5647 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000070787_100000733903 [0,1,0,0,0,1|1,0,0]=3 5648 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200000210301 [0,1,0,0,0,1|1,0,0]=3 5649 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000070787_100000736370 [0,1,0,0,0,1|1,0,0]=3 5650 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200000210301 [0,1,0,0,0,1|1,0,0]=3 5651 B12R1.127 CC(=O)Cc1cc(ccc1Br)I 1458a_100000070787_100012355412 [0,1,0,0,0,1|1,0,0]=3 5652 B12R1.127 CC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_200000210301 [0,1,0,0,0,1|1,0,0]=3 5653 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [0,1,0,0,0,1|0,0,0]=2 5654 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [0,1,0,0,0,1|0,0,0]=2 5655 B12R1.127 CC(=O)Cc1cc(ccc1C)Cl 1458a_100000070787_100012186985 [0,1,0,0,0,1|1,0,0]=3 5656 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100000070787_100000709795 [0,1,0,0,0,1|1,0,0]=3 5657 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100011219217_200000210301 [0,1,0,0,0,1|1,0,0]=3 5658 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100000070787_100000763347 [0,1,0,0,0,1|1,0,0]=3 5659 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200000210301 [0,1,0,0,0,1|1,0,0]=3 5660 B12R1.127 CC(=O)Cc1cc(ccc1Cl)C 1458a_100000070787_100009871730 [0,1,0,0,0,1|0,0,0]=2 5661 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000070787_100000754809 [0,1,0,0,0,1|1,0,0]=3 5662 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200000210301 [0,1,0,0,0,1|1,0,0]=3 5663 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100000070787_100000709952 [0,1,0,0,0,1|1,0,0]=3 5664 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200000210301 [0,1,0,0,0,1|1,0,0]=3 5665 B12R1.127 CC(=O)Cc1cc(ccc1Cl)I 1458a_100000070787_100010188191 [0,1,0,0,0,1|1,0,0]=3 5666 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000070787_100000736399 [0,1,0,0,0,1|1,0,0]=3 5667 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200000210301 [0,1,0,0,0,1|1,0,0]=3 5668 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100000070787_100011260760 [0,1,0,0,0,1|0,0,0]=2 5669 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100011667363_200000210301 [0,1,0,0,0,1|0,0,0]=2 5670 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100000070787_100000716957 [0,1,0,0,0,1|1,0,0]=3 5671 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200000210301 [0,1,0,0,0,1|1,0,0]=3 5672 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000070787_100000741279 [0,1,0,0,0,1|1,0,0]=3 5673 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000762760_200000210301 [0,1,0,0,0,1|1,0,0]=3 5674 B12R1.127 CC(=O)Cc1cc(ccc1F)I 1458a_100000070787_200010149601 [0,1,0,0,0,1|1,0,0]=3 5675 B12R1.127 CC(=O)Cc1cc(ccc1I)Br 1458a_100000070787_100012362523 [0,1,0,0,0,1|1,0,0]=3 5676 B12R1.127 CC(=O)Cc1cc(ccc1I)Cl 1458a_100000070787_100012348826 [0,1,0,0,0,1|1,0,0]=3 5677 B12R1.127 CC(=O)Cc1cc(ccc1I)F 1458a_100000070787_100010149606 [0,1,0,0,0,1|1,0,0]=3 5678 B12R1.127 CC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200000210301 [0,1,0,0,0,1|1,0,0]=3 5679 B12R1.127 CC(=O)Cc1cc(ccc1O)F 1458a_100000070787_100010161318 [0,1,0,0,0,1|1,0,0]=3 5680 B12R1.127 CC(=O)Cc1cc(ccc1O)O 1458a_100000038496_200000210301 [0,1,0,0,0,1|1,0,0]=3 5681 B12R1.127 CC(=O)Cc1cc(ccc1O)O 271570a_203496583355_200010006938 [0,1,0,0,0,1|1,0,0]=3 5682 B12R1.127 CC(=O)Cc1cc(cnc1Br)Br 1458a_100000070787_100010253922 [0,1,0,0,0,1|2,0,0]=4 5683 B12R1.127 CC(=O)Cc1cc(cnc1Cl)Br 1458a_100000070787_100009816982 [0,1,0,0,0,1|2,0,0]=4 5684 B12R1.127 CC(=O)Cc1nc(ccc1Cl)C 1458a_100000070787_200009852033 [0,1,0,0,0,1|1,0,0]=3 5685 B12R1.127 CC(=O)Cc1nc(ccc1Cl)Cl 1458a_100000070787_100000059412 [0,1,0,0,0,1|2,0,0]=4 5686 B12R1.127 CC(=O)Cc1nc(ccc1F)Br 1458a_100000070787_100010065826 [0,1,0,0,0,1|2,0,0]=4 5687 B12R1.127 CC(=O)Cc1nc(ccc1F)Cl 1458a_100000070787_100009881012 [0,1,0,0,0,1|2,0,0]=4 5688 B12R1.127 CC(=O)Cc1nc(ccc1O)C 1458a_100000070787_100020630696 [0,1,0,0,0,1|1,0,0]=3 5689 B12R1.127 CC(=O)Cn1cc(ccc1=O)Br 1458a_200000738489_200000210301 [0,1,0,0,0,1|2,0,0]=4 5690 B12R1.127 CC(=O)Cn1cc(ccc1=O)C 1458a_100009850670_200000210301 [0,1,0,0,0,1|1,0,0]=3 5691 B12R1.127 CC(=O)Cn1nc(ccc1=O)C 1458a_100000752069_200000210301 [0,1,0,0,0,1|2,0,0]=4 5692 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 11a_100000737762_100015343762 [0,1,0,0,0,1|1,0,0]=3 5693 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 1626a_100000737762_100015343762 [0,1,0,0,0,1|1,0,0]=3 5694 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100015343762 [0,1,0,0,0,1|0,0,0]=2 5695 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100015343762 [0,1,0,0,0,1|0,0,0]=2 5696 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 11a_100000687073_100015343762 [0,1,0,0,0,1|1,0,0]=3 5697 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 1626a_100000687073_100015343762 [0,1,0,0,0,1|1,0,0]=3 5698 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 11a_100000687223_100015343762 [0,1,0,0,0,1|1,0,0]=3 5699 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 1626a_100000687223_100015343762 [0,1,0,0,0,1|1,0,0]=3 5700 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 11a_100000750456_100015343762 [0,1,0,0,0,1|1,0,0]=3 5701 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 1626a_100000750456_100015343762 [0,1,0,0,0,1|1,0,0]=3 5702 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000070787 [0,1,0,0,0,1|1,0,0]=3 5703 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100103153847 [0,1,0,0,0,1|1,0,0]=3 5704 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 11a_100000741167_100015343762 [0,1,0,0,0,1|1,0,0]=3 5705 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100015343762 [0,1,0,0,0,1|1,0,0]=3 5706 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000070787 [0,1,0,0,0,1|1,0,0]=3 5707 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 527a_100000741167_100103153847 [0,1,0,0,0,1|1,0,0]=3 5708 B12R1.127 CC(=O)Nc1cc(ccc1C)C 11a_100000185781_100015343762 [0,1,0,0,0,1|0,0,0]=2 5709 B12R1.127 CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100015343762 [0,1,0,0,0,1|0,0,0]=2 5710 B12R1.127 CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000070787 [0,1,0,0,0,1|0,0,0]=2 5711 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 11a_100000211374_100015343762 [0,1,0,0,0,1|1,0,0]=3 5712 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100015343762 [0,1,0,0,0,1|1,0,0]=3 5713 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000070787 [0,1,0,0,0,1|1,0,0]=3 5714 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 527a_100000211374_100103153847 [0,1,0,0,0,1|1,0,0]=3 5715 B12R1.127 CC(=O)Nc1cc(ccc1C)F 11a_100000211107_100015343762 [0,1,0,0,0,1|1,0,0]=3 5716 B12R1.127 CC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100015343762 [0,1,0,0,0,1|1,0,0]=3 5717 B12R1.127 CC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000070787 [0,1,0,0,0,1|1,0,0]=3 5718 B12R1.127 CC(=O)Nc1cc(ccc1C)I 11a_100000761890_100015343762 [0,1,0,0,0,1|1,0,0]=3 5719 B12R1.127 CC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100015343762 [0,1,0,0,0,1|1,0,0]=3 5720 B12R1.127 CC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000070787 [0,1,0,0,0,1|1,0,0]=3 5721 B12R1.127 CC(=O)Nc1cc(ccc1C)I 527a_100000761890_100103153847 [0,1,0,0,0,1|1,0,0]=3 5722 B12R1.127 CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000070787 [0,1,0,0,0,1|1,0,0]=3 5723 B12R1.127 CC(=O)Nc1cc(ccc1C)O 271570a_203496583355_100011344836 [0,1,0,0,0,1|1,0,0]=3 5724 B12R1.127 CC(=O)Nc1cc(ccc1C)O 527a_100011216113_100103153847 [0,1,0,0,0,1|1,0,0]=3 5725 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 11a_100000750497_100015343762 [0,1,0,0,0,1|1,0,0]=3 5726 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 1626a_100000750497_100015343762 [0,1,0,0,0,1|1,0,0]=3 5727 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100015343762 [0,1,0,0,0,1|0,0,0]=2 5728 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100015343762 [0,1,0,0,0,1|0,0,0]=2 5729 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000070787 [0,1,0,0,0,1|0,0,0]=2 5730 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 11a_100000184485_100015343762 [0,1,0,0,0,1|1,0,0]=3 5731 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 1626a_100000184485_100015343762 [0,1,0,0,0,1|1,0,0]=3 5732 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 11a_100000751338_100015343762 [0,1,0,0,0,1|1,0,0]=3 5733 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 1626a_100000751338_100015343762 [0,1,0,0,0,1|1,0,0]=3 5734 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 11a_200000761891_100015343762 [0,1,0,0,0,1|1,0,0]=3 5735 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 1626a_200000761891_100015343762 [0,1,0,0,0,1|1,0,0]=3 5736 B12R1.127 CC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100103153847 [0,1,0,0,0,1|1,0,0]=3 5737 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 11a_100000740924_100015343762 [0,1,0,0,0,1|1,0,0]=3 5738 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 1626a_100000740924_100015343762 [0,1,0,0,0,1|1,0,0]=3 5739 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 22a_100000740924_100000070787 [0,1,0,0,0,1|1,0,0]=3 5740 B12R1.127 CC(=O)Nc1cc(ccc1F)C 11a_100000211285_100015343762 [0,1,0,0,0,1|0,0,0]=2 5741 B12R1.127 CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100015343762 [0,1,0,0,0,1|0,0,0]=2 5742 B12R1.127 CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000070787 [0,1,0,0,0,1|0,0,0]=2 5743 B12R1.127 CC(=O)Nc1cc(ccc1F)C 527a_100000211285_100103153847 [0,1,0,0,0,1|0,0,0]=2 5744 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 11a_100000212115_100015343762 [0,1,0,0,0,1|1,0,0]=3 5745 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 1626a_100000212115_100015343762 [0,1,0,0,0,1|1,0,0]=3 5746 B12R1.127 CC(=O)Nc1cc(ccc1F)F 11a_100000210742_100015343762 [0,1,0,0,0,1|1,0,0]=3 5747 B12R1.127 CC(=O)Nc1cc(ccc1F)F 1626a_100000210742_100015343762 [0,1,0,0,0,1|1,0,0]=3 5748 B12R1.127 CC(=O)Nc1cc(ccc1F)F 22a_100000210742_100000070787 [0,1,0,0,0,1|1,0,0]=3 5749 B12R1.127 CC(=O)Nc1cc(ccc1F)I 11a_100011464823_100015343762 [0,1,0,0,0,1|1,0,0]=3 5750 B12R1.127 CC(=O)Nc1cc(ccc1F)I 1626a_100011464823_100015343762 [0,1,0,0,0,1|1,0,0]=3 5751 B12R1.127 CC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100015343762 [0,1,0,0,0,1|1,0,0]=3 5752 B12R1.127 CC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000070787 [0,1,0,0,0,1|1,0,0]=3 5753 B12R1.127 CC(=O)Nc1cc(ccc1F)O 271570a_203496583355_200011951791 [0,1,0,0,0,1|1,0,0]=3 5754 B12R1.127 CC(=O)Nc1cc(ccc1F)O 527a_100012017239_100103153847 [0,1,0,0,0,1|1,0,0]=3 5755 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 11a_100000743836_100015343762 [0,1,0,0,0,1|1,0,0]=3 5756 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 1626a_100000743836_100015343762 [0,1,0,0,0,1|1,0,0]=3 5757 B12R1.127 CC(=O)Nc1cc(ccc1I)C 11a_100011216686_100015343762 [0,1,0,0,0,1|0,0,0]=2 5758 B12R1.127 CC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100015343762 [0,1,0,0,0,1|0,0,0]=2 5759 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 11a_100000761886_100015343762 [0,1,0,0,0,1|1,0,0]=3 5760 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 1626a_100000761886_100015343762 [0,1,0,0,0,1|1,0,0]=3 5761 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 22a_100000761886_100000070787 [0,1,0,0,0,1|1,0,0]=3 5762 B12R1.127 CC(=O)Nc1cc(ccc1I)F 11a_100011218093_100015343762 [0,1,0,0,0,1|1,0,0]=3 5763 B12R1.127 CC(=O)Nc1cc(ccc1I)F 1626a_100011218093_100015343762 [0,1,0,0,0,1|1,0,0]=3 5764 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000070787 [0,1,0,0,0,1|1,0,0]=3 5765 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100103153847 [0,1,0,0,0,1|1,0,0]=3 5766 B12R1.127 CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000070787 [0,1,0,0,0,1|0,0,0]=2 5767 B12R1.127 CC(=O)Nc1cc(ccc1O)C 271570a_203496583355_100000182586 [0,1,0,0,0,1|0,0,0]=2 5768 B12R1.127 CC(=O)Nc1cc(ccc1O)C 527a_100011215204_100103153847 [0,1,0,0,0,1|0,0,0]=2 5769 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000070787 [0,1,0,0,0,1|1,0,0]=3 5770 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100103153847 [0,1,0,0,0,1|1,0,0]=3 5771 B12R1.127 CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000070787 [0,1,0,0,0,1|1,0,0]=3 5772 B12R1.127 CC(=O)Nc1cc(ccc1O)F 271570a_203496583355_100012558231 [0,1,0,0,0,1|1,0,0]=3 5773 B12R1.127 CC(=O)Nc1cc(ccc1O)F 527a_100000759472_100103153847 [0,1,0,0,0,1|1,0,0]=3 5774 B12R1.127 CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000070787 [0,1,0,0,0,1|1,0,0]=3 5775 B12R1.127 CC(=O)Nc1cc(ccc1O)I 527a_100000753495_100103153847 [0,1,0,0,0,1|1,0,0]=3 5776 B12R1.127 CC(=O)Nc1cc(cnc1C)O 271570a_203496583355_100010117071 [0,1,0,0,0,1|2,0,0]=4 5777 B12R1.127 CC(=O)Oc1cc(ccc1C)O 271570a_203496583355_100103282185 [0,1,0,0,0,1|1,0,0]=3 5778 B12R1.127 CC(=O)Oc1cc(ccc1O)F 271570a_203496583355_200015685721 [0,1,0,0,0,1|1,0,0]=3 5779 B12R1.127 Cc1ccc(=O)n(c1)CC(=O)[13CH3] 1458a_100009850670_200025704644 [0,1,0,0,0,1|1,0,0]=3 5780 B12R1.127 Cc1ccc(=O)n(n1)CC(=O)[13CH3] 1458a_100000752069_200025704644 [0,1,0,0,0,1|2,0,0]=4 5781 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100010004923_200025704644 [0,1,0,0,0,1|0,0,0]=2 5782 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [0,1,0,0,0,1|0,0,0]=2 5783 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100011667363_200025704644 [0,1,0,0,0,1|0,0,0]=2 5784 B12R1.127 Cc1ccc(c(c1)CN(C)C)Br 270004a_100102631434_100011551863 [0,1,0,0,0,1|2,0,0]=4 5785 B12R1.127 Cc1ccc(c(c1)CN(C)C)C 2230a_100102631434_100000184699 [0,1,0,0,0,1|2,0,0]=4 5786 B12R1.127 Cc1ccc(c(c1)CN(C)C)C 269982a_100102631434_100000184699 [0,1,0,0,0,1|2,0,0]=4 5787 B12R1.127 Cc1ccc(c(c1)CN(C)C)C 270004a_100102631434_100000211343 [0,1,0,0,0,1|2,0,0]=4 5788 B12R1.127 Cc1ccc(c(c1)CN(C)C)Cl 2230a_100102631434_100009871730 [0,1,0,0,0,1|2,0,0]=4 5789 B12R1.127 Cc1ccc(c(c1)CN(C)C)Cl 269982a_100102631434_100009871730 [0,1,0,0,0,1|2,0,0]=4 5790 B12R1.127 Cc1ccc(c(c1)CN(C)C)Cl 270004a_100102631434_100011551332 [0,1,0,0,0,1|2,0,0]=4 5791 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 2230a_100102631434_100011260760 [0,1,0,0,0,1|2,0,0]=4 5792 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 2230a_102515433075_200000210301 [0,1,0,0,0,1|2,0,0]=4 5793 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 269982a_100102631434_100011260760 [0,1,0,0,0,1|2,0,0]=4 5794 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 269982a_102515433075_200000210301 [0,1,0,0,0,1|2,0,0]=4 5795 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 270004a_100102631434_100000756917 [0,1,0,0,0,1|2,0,0]=4 5796 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 34a_102515433075_200000210301 [0,1,0,0,0,1|2,0,0]=4 5797 B12R1.127 Cc1ccc(c(c1)CN(C)C)I 270004a_100102631434_100010150105 [0,1,0,0,0,1|2,0,0]=4 5798 B12R1.127 Cc1ccc(c(c1)CN(C)[13CH3])F 2230a_102515433075_200025704644 [0,1,0,0,0,1|2,0,0]=4 5799 B12R1.127 Cc1ccc(c(c1)CN(C)[13CH3])F 269982a_102515433075_200025704644 [0,1,0,0,0,1|2,0,0]=4 5800 B12R1.127 Cc1ccc(c(c1)CN(C)[13CH3])F 34a_102515433075_200025704644 [0,1,0,0,0,1|2,0,0]=4 5801 B12R1.127 Cc1ccc(c(c1)NC(C)C)Br 34a_100000745044_100000210206 [0,1,0,0,0,1|1,0,1]=4 5802 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 2230a_100000185781_100000210206 [0,1,0,0,0,1|1,0,1]=4 5803 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 34a_100000185781_100000210206 [0,1,0,0,0,1|1,0,1]=4 5804 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 7a_100000185781_100000210206 [0,1,0,0,0,1|1,0,1]=4 5805 B12R1.127 Cc1ccc(c(c1)NC(C)C)Cl 34a_100011215360_100000210206 [0,1,0,0,0,1|1,0,1]=4 5806 B12R1.127 Cc1ccc(c(c1)NC(C)C)F 34a_100000211285_100000210206 [0,1,0,0,0,1|1,0,1]=4 5807 B12R1.127 Cc1ccc(c(c1)NC(C)C)I 34a_100011216686_100000210206 [0,1,0,0,0,1|1,0,1]=4 5808 B12R1.127 Cc1ccc(c(c1)NC(C)C)O 34a_100011215204_100000210206 [0,1,0,0,0,1|1,0,1]=4 5809 B12R1.127 Cc1ccc(c(c1)OC(C)C)Br 34a_100012002257_100000210206 [0,1,0,0,0,1|1,0,1]=4 5810 B12R1.127 Cc1ccc(c(c1)OC(C)C)Br 7a_100012002257_100000210206 [0,1,0,0,0,1|1,0,1]=4 5811 B12R1.127 Cc1ccc(c(c1)OC(C)C)C 34a_100000210931_100000210206 [0,1,0,0,0,1|1,0,1]=4 5812 B12R1.127 Cc1ccc(c(c1)OC(C)C)C 7a_100000210931_100000210206 [0,1,0,0,0,1|1,0,1]=4 5813 B12R1.127 Cc1ccc(c(c1)OC(C)C)Cl 34a_100000211493_100000210206 [0,1,0,0,0,1|1,0,1]=4 5814 B12R1.127 Cc1ccc(c(c1)OC(C)C)Cl 7a_100000211493_100000210206 [0,1,0,0,0,1|1,0,1]=4 5815 B12R1.127 Cc1ccc(c(c1)OC(C)C)F 34a_100000759540_100000210206 [0,1,0,0,0,1|1,0,1]=4 5816 B12R1.127 Cc1ccc(c(c1)OC(C)C)F 7a_100000759540_100000210206 [0,1,0,0,0,1|1,0,1]=4 5817 B12R1.127 Cc1ccc(c(c1)OC(C)C)N 34a_100000211527_100000210206 [0,1,0,0,0,1|1,0,1]=4 5818 B12R1.127 Cc1ccc(c(c1)OC(C)C)N 7a_100000211527_100000210206 [0,1,0,0,0,1|1,0,1]=4 5819 B12R1.127 Cc1ccc(c(c1)SC(C)C)Br 62a_100000210206_100012353751 [0,1,0,0,0,1|1,0,1]=4 5820 B12R1.127 Cc1ccc(c(c1)SC(C)C)Br 62a_100012353751_100000210206 [0,1,0,0,0,1|1,0,1]=4 5821 B12R1.127 Cc1ccc(c(c1)SC(C)C)C 62a_100000210206_100000210833 [0,1,0,0,0,1|1,0,1]=4 5822 B12R1.127 Cc1ccc(c(c1)SC(C)C)C 62a_100000210833_100000210206 [0,1,0,0,0,1|1,0,1]=4 5823 B12R1.127 Cc1ccc(c(c1)SC(C)C)Cl 62a_100000210206_100012356289 [0,1,0,0,0,1|1,0,1]=4 5824 B12R1.127 Cc1ccc(c(c1)SC(C)C)Cl 62a_100012356289_100000210206 [0,1,0,0,0,1|1,0,1]=4 5825 B12R1.127 Cc1ccc(c(c1)SC(C)C)F 62a_100000210206_100000736223 [0,1,0,0,0,1|1,0,1]=4 5826 B12R1.127 Cc1ccc(c(c1)SC(C)C)F 62a_100000736223_100000210206 [0,1,0,0,0,1|1,0,1]=4 5827 B12R1.127 Cc1ccc(c(c1)SC(C)C)N 62a_100000210206_100011356834 [0,1,0,0,0,1|1,0,1]=4 5828 B12R1.127 Cc1ccc(c(c1)SC(C)C)N 62a_100011356834_100000210206 [0,1,0,0,0,1|1,0,1]=4 5829 B12R1.127 Cc1ccc(c(c1)SC(C)C)O 62a_100000210206_100000765521 [0,1,0,0,0,1|1,0,1]=4 5830 B12R1.127 Cc1ccc(c(c1)SC(C)C)O 62a_100000765521_100000210206 [0,1,0,0,0,1|1,0,1]=4 5831 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])Br 1458a_100010244045_200025704644 [0,1,0,0,0,1|1,0,0]=3 5832 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])F 1458a_100011219217_200025704644 [0,1,0,0,0,1|1,0,0]=3 5833 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200025704644 [0,1,0,0,0,1|1,0,0]=3 5834 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200025704644 [0,1,0,0,0,1|1,0,0]=3 5835 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200025704644 [0,1,0,0,0,1|1,0,0]=3 5836 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200025704644 [0,1,0,0,0,1|1,0,0]=3 5837 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200025704644 [0,1,0,0,0,1|1,0,0]=3 5838 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200025704644 [0,1,0,0,0,1|1,0,0]=3 5839 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200025704644 [0,1,0,0,0,1|1,0,0]=3 5840 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200025704644 [0,1,0,0,0,1|1,0,0]=3 5841 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)F 1458a_100000762760_200025704644 [0,1,0,0,0,1|1,0,0]=3 5842 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200025704644 [0,1,0,0,0,1|1,0,0]=3 5843 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)O 1458a_100000038496_200025704644 [0,1,0,0,0,1|1,0,0]=3 5844 B12R1.127 [13CH3]C(=O)Cn1cc(ccc1=O)Br 1458a_200000738489_200025704644 [0,1,0,0,0,1|2,0,0]=4 5845 B12R1.224 CC(=Cc1cccc(c1Br)O)C 271570a_100102525489_100010187914 [0,1,0,0,0,1|2,0,0]=4 5846 B12R1.224 CC(=Cc1cccc(c1C)Br)C 271570a_100102525489_100012353703 [0,1,0,0,0,1|2,0,0]=4 5847 B12R1.224 CC(=Cc1cccc(c1C)C)C 271570a_100102525489_100011214922 [0,1,0,0,0,1|1,0,0]=3 5848 B12R1.224 CC(=Cc1cccc(c1C)Cl)C 271570a_100102525489_100000726075 [0,1,0,0,0,1|2,0,0]=4 5849 B12R1.224 CC(=Cc1cccc(c1C)F)C 271570a_100102525489_100011216893 [0,1,0,0,0,1|2,0,0]=4 5850 B12R1.224 CC(=Cc1cccc(c1C)N)C 271570a_100102525489_100000761887 [0,1,0,0,0,1|2,0,0]=4 5851 B12R1.224 CC(=Cc1cccc(c1C)O)C 271570a_100102525489_100012002258 [0,1,0,0,0,1|2,0,0]=4 5852 B12R1.224 CC(=Cc1cccc(c1Cl)Br)C 271570a_100102525489_100010142854 [0,1,0,0,0,1|2,0,0]=4 5853 B12R1.224 CC(=Cc1cccc(c1Cl)C)C 271570a_100102525489_200012352035 [0,1,0,0,0,1|1,0,0]=3 5854 B12R1.224 CC(=Cc1cccc(c1Cl)Cl)C 271570a_100102525489_100011215384 [0,1,0,0,0,1|2,0,0]=4 5855 B12R1.224 CC(=Cc1cccc(c1Cl)F)C 271570a_100102525489_200010234923 [0,1,0,0,0,1|2,0,0]=4 5856 B12R1.224 CC(=Cc1cccc(c1Cl)O)C 271570a_100102525489_100000049636 [0,1,0,0,0,1|2,0,0]=4 5857 B12R1.224 CC(=Cc1cccc(c1F)Br)C 271570a_100102525489_100000702267 [0,1,0,0,0,1|2,0,0]=4 5858 B12R1.224 CC(=Cc1cccc(c1F)C)C 271570a_100102525489_100000717567 [0,1,0,0,0,1|1,0,0]=3 5859 B12R1.224 CC(=Cc1cccc(c1F)Cl)C 271570a_100102525489_100011217346 [0,1,0,0,0,1|2,0,0]=4 5860 B12R1.224 CC(=Cc1cccc(c1F)F)C 271570a_100102525489_100000694657 [0,1,0,0,0,1|2,0,0]=4 5861 B12R1.224 CC(=Cc1cccc(c1F)N)C 271570a_100102525489_100011935091 [0,1,0,0,0,1|2,0,0]=4 5862 B12R1.224 CC(=Cc1cccc(c1F)O)C 271570a_100102525489_100009817021 [0,1,0,0,0,1|2,0,0]=4 5863 B12R1.224 CC(=Cc1cccc(c1N)Br)C 271570a_100102525489_100010146558 [0,1,0,0,0,1|2,0,0]=4 5864 B12R1.224 CC(=Cc1cccc(c1N)C)C 271570a_100102525489_100011834072 [0,1,0,0,0,1|1,0,0]=3 5865 B12R1.224 CC(=Cc1cccc(c1N)Cl)C 271570a_100102525489_100010190421 [0,1,0,0,0,1|2,0,0]=4 5866 B12R1.224 CC(=Cc1cccc(c1N)F)C 271570a_100102525489_100000042321 [0,1,0,0,0,1|2,0,0]=4 5867 B12R1.224 CC(=Cc1cccc(c1N)N)C 271570a_100102525489_100015191791 [0,1,0,0,0,1|2,0,0]=4 5868 B12R1.224 CC(=Cc1cccc(c1N)O)C 271570a_100102525489_100011934926 [0,1,0,0,0,1|2,0,0]=4 5869 B12R1.224 CC(=Cc1cccc(c1O)Br)C 271570a_100102525489_100010084509 [0,1,0,0,0,1|2,0,0]=4 5870 B12R1.224 CC(=Cc1cccc(c1O)C)C 271570a_100102525489_100009817157 [0,1,0,0,0,1|1,0,0]=3 5871 B12R1.224 CC(=Cc1cccc(c1O)Cl)C 271570a_100102525489_100010202889 [0,1,0,0,0,1|2,0,0]=4 5872 B12R1.224 CC(=Cc1cccc(c1O)F)C 271570a_100102525489_100009813666 [0,1,0,0,0,1|2,0,0]=4 5873 B12R1.224 CC(=Cc1cccc(c1O)N)C 271570a_100102525489_100011934915 [0,1,0,0,0,1|2,0,0]=4 5874 B12R1.224 CC(=Cc1cccc(c1O)O)C 271570a_100102525489_100009815950 [0,1,0,0,0,1|2,0,0]=4 5875 B12R1.224 CC(=Cc1cccn(c1=O)C)C 271570a_100102525489_100000687173 [0,1,0,0,0,1|2,0,0]=4 5876 B12R1.224 CC(=Cc1ccnc(c1C)C)C 271570a_100102525489_100009846815 [0,1,0,0,0,1|2,0,0]=4 5877 B12R1.224 CC(=Cc1ccnc(c1Cl)C)C 271570a_100102525489_100000698670 [0,1,0,0,0,1|2,0,0]=4 5878 B12R1.224 CC(=Cc1ccnc(c1F)C)C 271570a_100102525489_100009849794 [0,1,0,0,0,1|2,0,0]=4 5879 B12R1.224 CC(=Cc1ccnc(c1N)C)C 271570a_100102525489_100009885578 [0,1,0,0,0,1|2,0,0]=4 5880 B12R1.224 CC(=Cc1cncc(c1C)C)C 271570a_100102525489_100009864703 [0,1,0,0,0,1|2,0,0]=4 5881 B12R1.224 CC(=Cc1cncc(c1N)C)C 271570a_100102525489_100009818025 [0,1,0,0,0,1|2,0,0]=4 5882 B12R1.224 CC(=Cc1nccc(c1C)C)C 271570a_100102525489_100009847204 [0,1,0,0,0,1|2,0,0]=4 5883 B12R1.224 CC(=Cc1nccc(c1F)C)C 271570a_100102525489_100009817629 [0,1,0,0,0,1|2,0,0]=4 5884 B12R1.224 CC(=Cc1nccc(c1N)C)C 271570a_100102525489_100000763560 [0,1,0,0,0,1|2,0,0]=4 5885 B12R1.224 CC(=Cc1nccc(c1O)C)C 271570a_100102525489_100000696282 [0,1,0,0,0,1|2,0,0]=4 5886 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100000070787_200012349612 [0,1,0,0,0,1|0,0,0]=2 5887 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100010147021_200000210301 [0,1,0,0,0,1|0,0,0]=2 5888 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100000070787_100010145525 [0,1,0,0,0,1|1,0,0]=3 5889 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200000210301 [0,1,0,0,0,1|1,0,0]=3 5890 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100000070787_100012351116 [0,1,0,0,0,1|1,0,0]=3 5891 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100012356664_200000210301 [0,1,0,0,0,1|1,0,0]=3 5892 B12R1.224 CC(=O)Cc1cccc(c1Br)I 1458a_100000070787_100010254545 [0,1,0,0,0,1|1,0,0]=3 5893 B12R1.224 CC(=O)Cc1cccc(c1C)Br 1458a_100000070787_100000694682 [0,1,0,0,0,1|1,0,0]=3 5894 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100000070787_100011515928 [0,1,0,0,0,1|0,0,0]=2 5895 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100011698479_200000210301 [0,1,0,0,0,1|0,0,0]=2 5896 B12R1.224 CC(=O)Cc1cccc(c1C)Cl 1458a_100000070787_100012186920 [0,1,0,0,0,1|1,0,0]=3 5897 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000035905_200000210301 [0,1,0,0,0,1|1,0,0]=3 5898 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000070787_100009813626 [0,1,0,0,0,1|1,0,0]=3 5899 B12R1.224 CC(=O)Cc1cccc(c1C)I 1458a_100000070787_100010150147 [0,1,0,0,0,1|1,0,0]=3 5900 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100000070787_100012349491 [0,1,0,0,0,1|1,0,0]=3 5901 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200000210301 [0,1,0,0,0,1|1,0,0]=3 5902 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000070787_100000720918 [0,1,0,0,0,1|1,0,0]=3 5903 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200000210301 [0,1,0,0,0,1|1,0,0]=3 5904 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100000070787_100000696688 [0,1,0,0,0,1|1,0,0]=3 5905 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200000210301 [0,1,0,0,0,1|1,0,0]=3 5906 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100000070787_100012356507 [0,1,0,0,0,1|1,0,0]=3 5907 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100011935088_200000210301 [0,1,0,0,0,1|1,0,0]=3 5908 B12R1.224 CC(=O)Cc1cccc(c1F)C 1458a_100000070787_100011216058 [0,1,0,0,0,1|0,0,0]=2 5909 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000070787_100000716733 [0,1,0,0,0,1|1,0,0]=3 5910 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200000210301 [0,1,0,0,0,1|1,0,0]=3 5911 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000070787_100000217499 [0,1,0,0,0,1|1,0,0]=3 5912 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000684727_200000210301 [0,1,0,0,0,1|1,0,0]=3 5913 B12R1.224 CC(=O)Cc1cccc(c1I)F 1458a_100000070787_100010149603 [0,1,0,0,0,1|1,0,0]=3 5914 B12R1.224 CC(=O)Cc1nccc(c1C)Cl 1458a_100000070787_100020614443 [0,1,0,0,0,1|2,0,0]=4 5915 B12R1.224 CC(=O)Cn1cccc(c1=O)C 1458a_100000697016_200000210301 [0,1,0,0,0,1|1,0,0]=3 5916 B12R1.224 CC(=O)Nc1cccc(c1Br)C 11a_100000684715_100015343762 [0,1,0,0,0,1|0,0,0]=2 5917 B12R1.224 CC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100015343762 [0,1,0,0,0,1|0,0,0]=2 5918 B12R1.224 CC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000070787 [0,1,0,0,0,1|0,0,0]=2 5919 B12R1.224 CC(=O)Nc1cccc(c1Br)Cl 11a_100000687072_100015343762 [0,1,0,0,0,1|1,0,0]=3 5920 B12R1.224 CC(=O)Nc1cccc(c1Br)Cl 1626a_100000687072_100015343762 [0,1,0,0,0,1|1,0,0]=3 5921 B12R1.224 CC(=O)Nc1cccc(c1Br)F 11a_100011934729_100015343762 [0,1,0,0,0,1|1,0,0]=3 5922 B12R1.224 CC(=O)Nc1cccc(c1Br)F 1626a_100011934729_100015343762 [0,1,0,0,0,1|1,0,0]=3 5923 B12R1.224 CC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000070787 [0,1,0,0,0,1|1,0,0]=3 5924 B12R1.224 CC(=O)Nc1cccc(c1C)Br 11a_100000750434_100015343762 [0,1,0,0,0,1|1,0,0]=3 5925 B12R1.224 CC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100015343762 [0,1,0,0,0,1|1,0,0]=3 5926 B12R1.224 CC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000070787 [0,1,0,0,0,1|1,0,0]=3 5927 B12R1.224 CC(=O)Nc1cccc(c1C)Br 527a_100000750434_100103153847 [0,1,0,0,0,1|1,0,0]=3 5928 B12R1.224 CC(=O)Nc1cccc(c1C)C 11a_100000210026_100015343762 [0,1,0,0,0,1|0,0,0]=2 5929 B12R1.224 CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100015343762 [0,1,0,0,0,1|0,0,0]=2 5930 B12R1.224 CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000070787 [0,1,0,0,0,1|0,0,0]=2 5931 B12R1.224 CC(=O)Nc1cccc(c1C)C 527a_100000210026_100103153847 [0,1,0,0,0,1|0,0,0]=2 5932 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 11a_100000210441_100015343762 [0,1,0,0,0,1|1,0,0]=3 5933 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100015343762 [0,1,0,0,0,1|1,0,0]=3 5934 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000070787 [0,1,0,0,0,1|1,0,0]=3 5935 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 527a_100000210441_100103153847 [0,1,0,0,0,1|1,0,0]=3 5936 B12R1.224 CC(=O)Nc1cccc(c1C)F 11a_100000745574_100015343762 [0,1,0,0,0,1|1,0,0]=3 5937 B12R1.224 CC(=O)Nc1cccc(c1C)F 1626a_100000745574_100015343762 [0,1,0,0,0,1|1,0,0]=3 5938 B12R1.224 CC(=O)Nc1cccc(c1C)F 22a_100000745574_100000070787 [0,1,0,0,0,1|1,0,0]=3 5939 B12R1.224 CC(=O)Nc1cccc(c1C)F 527a_100000745574_100103153847 [0,1,0,0,0,1|1,0,0]=3 5940 B12R1.224 CC(=O)Nc1cccc(c1C)I 11a_100000761887_100015343762 [0,1,0,0,0,1|1,0,0]=3 5941 B12R1.224 CC(=O)Nc1cccc(c1C)I 1626a_100000761887_100015343762 [0,1,0,0,0,1|1,0,0]=3 5942 B12R1.224 CC(=O)Nc1cccc(c1C)I 22a_100000761887_100000070787 [0,1,0,0,0,1|1,0,0]=3 5943 B12R1.224 CC(=O)Nc1cccc(c1C)I 527a_100000761887_100103153847 [0,1,0,0,0,1|1,0,0]=3 5944 B12R1.224 CC(=O)Nc1cccc(c1C)O 11a_100011216573_100015343762 [0,1,0,0,0,1|1,0,0]=3 5945 B12R1.224 CC(=O)Nc1cccc(c1C)O 22a_100011216573_100000070787 [0,1,0,0,0,1|1,0,0]=3 5946 B12R1.224 CC(=O)Nc1cccc(c1C)O 527a_100011216573_100103153847 [0,1,0,0,0,1|1,0,0]=3 5947 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 11a_100000687075_100015343762 [0,1,0,0,0,1|1,0,0]=3 5948 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 1626a_100000687075_100015343762 [0,1,0,0,0,1|1,0,0]=3 5949 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 527a_100000687075_100103153847 [0,1,0,0,0,1|1,0,0]=3 5950 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 11a_100000765562_100015343762 [0,1,0,0,0,1|0,0,0]=2 5951 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100015343762 [0,1,0,0,0,1|0,0,0]=2 5952 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000070787 [0,1,0,0,0,1|0,0,0]=2 5953 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 11a_100000185733_100015343762 [0,1,0,0,0,1|1,0,0]=3 5954 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 1626a_100000185733_100015343762 [0,1,0,0,0,1|1,0,0]=3 5955 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 11a_100000692321_100015343762 [0,1,0,0,0,1|1,0,0]=3 5956 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 1626a_100000692321_100015343762 [0,1,0,0,0,1|1,0,0]=3 5957 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 22a_100000692321_100000070787 [0,1,0,0,0,1|1,0,0]=3 5958 B12R1.224 CC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000070787 [0,1,0,0,0,1|1,0,0]=3 5959 B12R1.224 CC(=O)Nc1cccc(c1F)Br 11a_100011935091_100015343762 [0,1,0,0,0,1|1,0,0]=3 5960 B12R1.224 CC(=O)Nc1cccc(c1F)Br 1626a_100011935091_100015343762 [0,1,0,0,0,1|1,0,0]=3 5961 B12R1.224 CC(=O)Nc1cccc(c1F)Br 22a_100011935091_100000070787 [0,1,0,0,0,1|1,0,0]=3 5962 B12R1.224 CC(=O)Nc1cccc(c1F)Br 527a_100011935091_100103153847 [0,1,0,0,0,1|1,0,0]=3 5963 B12R1.224 CC(=O)Nc1cccc(c1F)C 11a_100000697159_100015343762 [0,1,0,0,0,1|0,0,0]=2 5964 B12R1.224 CC(=O)Nc1cccc(c1F)C 1626a_100000697159_100015343762 [0,1,0,0,0,1|0,0,0]=2 5965 B12R1.224 CC(=O)Nc1cccc(c1F)C 527a_100000697159_100103153847 [0,1,0,0,0,1|0,0,0]=2 5966 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 11a_100000199060_100015343762 [0,1,0,0,0,1|1,0,0]=3 5967 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 1626a_100000199060_100015343762 [0,1,0,0,0,1|1,0,0]=3 5968 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 22a_100000199060_100000070787 [0,1,0,0,0,1|1,0,0]=3 5969 B12R1.224 CC(=O)Nc1cccc(c1F)F 11a_100000743855_100015343762 [0,1,0,0,0,1|1,0,0]=3 5970 B12R1.224 CC(=O)Nc1cccc(c1F)F 1626a_100000743855_100015343762 [0,1,0,0,0,1|1,0,0]=3 5971 B12R1.224 CC(=O)Nc1cccc(c1F)F 22a_100000743855_100000070787 [0,1,0,0,0,1|1,0,0]=3 5972 B12R1.224 CC(=O)Nc1cccc(c1I)Br 11a_100020590159_100015343762 [0,1,0,0,0,1|1,0,0]=3 5973 B12R1.224 CC(=O)Nc1cccc(c1I)Br 1626a_100020590159_100015343762 [0,1,0,0,0,1|1,0,0]=3 5974 B12R1.224 CC(=O)Nc1cccc(c1I)C 11a_100000761888_100015343762 [0,1,0,0,0,1|0,0,0]=2 5975 B12R1.224 CC(=O)Nc1cccc(c1I)C 1626a_100000761888_100015343762 [0,1,0,0,0,1|0,0,0]=2 5976 B12R1.224 CC(=O)Nc1cccc(c1I)Cl 11a_100000049713_100015343762 [0,1,0,0,0,1|1,0,0]=3 5977 B12R1.224 CC(=O)Nc1cccc(c1I)Cl 1626a_100000049713_100015343762 [0,1,0,0,0,1|1,0,0]=3 5978 B12R1.224 CC(=O)Nc1cccc(c1I)F 11a_100000690935_100015343762 [0,1,0,0,0,1|1,0,0]=3 5979 B12R1.224 CC(=O)Nc1cccc(c1I)F 1626a_100000690935_100015343762 [0,1,0,0,0,1|1,0,0]=3 5980 B12R1.224 CC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000070787 [0,1,0,0,0,1|1,0,0]=3 5981 B12R1.224 CC(=O)Nc1cccc(c1O)Br 527a_100011934915_100103153847 [0,1,0,0,0,1|1,0,0]=3 5982 B12R1.224 CC(=O)Nc1cccc(c1O)C 11a_100000756359_100015343762 [0,1,0,0,0,1|0,0,0]=2 5983 B12R1.224 CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100015343762 [0,1,0,0,0,1|0,0,0]=2 5984 B12R1.224 CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000070787 [0,1,0,0,0,1|0,0,0]=2 5985 B12R1.224 CC(=O)Nc1cccc(c1O)C 527a_100000756359_100103153847 [0,1,0,0,0,1|0,0,0]=2 5986 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000070787 [0,1,0,0,0,1|1,0,0]=3 5987 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 527a_100000754742_100103153847 [0,1,0,0,0,1|1,0,0]=3 5988 B12R1.224 CC(=O)Nc1cccc(c1O)F 1626a_100011934987_100015343762 [0,1,0,0,0,1|1,0,0]=3 5989 B12R1.224 CC(=O)Nc1cccc(c1O)F 22a_100011934987_100000070787 [0,1,0,0,0,1|1,0,0]=3 5990 B12R1.224 CC(=O)Nc1cccc(c1O)F 527a_100011934987_100103153847 [0,1,0,0,0,1|1,0,0]=3 5991 B12R1.224 CC(=O)Nc1cccc(c1O)I 1626a_100010084371_100015343762 [0,1,0,0,0,1|1,0,0]=3 5992 B12R1.224 CC(=O)Nc1cccc(c1O)I 22a_100010084371_100000070787 [0,1,0,0,0,1|1,0,0]=3 5993 B12R1.224 CC(=O)Nc1cccc(c1O)I 527a_100010084371_100103153847 [0,1,0,0,0,1|1,0,0]=3 5994 B12R1.224 Cc1c(cccc1CC(=O)[13CH3])F 1458a_100000035905_200025704644 [0,1,0,0,0,1|1,0,0]=3 5995 B12R1.224 Cc1cccc(c1Br)CC(=O)[13CH3] 1458a_100010147021_200025704644 [0,1,0,0,0,1|0,0,0]=2 5996 B12R1.224 Cc1cccc(c1Br)CN(C)C 2230a_100102631434_200012349612 [0,1,0,0,0,1|2,0,0]=4 5997 B12R1.224 Cc1cccc(c1Br)CN(C)C 269982a_100102631434_200012349612 [0,1,0,0,0,1|2,0,0]=4 5998 B12R1.224 Cc1cccc(c1Br)CN(C)C 270004a_100102631434_100012186367 [0,1,0,0,0,1|2,0,0]=4 5999 B12R1.224 Cc1cccc(c1Br)NC(C)C 34a_100000684715_100000210206 [0,1,0,0,0,1|1,0,1]=4 6000 B12R1.224 Cc1cccc(c1Br)OC(C)C 34a_100000686692_100000210206 [0,1,0,0,0,1|1,0,1]=4 6001 B12R1.224 Cc1cccc(c1Br)OC(C)C 7a_100000686692_100000210206 [0,1,0,0,0,1|1,0,1]=4 6002 B12R1.224 Cc1cccc(c1Br)SC(C)C 62a_100000210206_100012362457 [0,1,0,0,0,1|1,0,1]=4 6003 B12R1.224 Cc1cccc(c1Br)SC(C)C 62a_100012362457_100000210206 [0,1,0,0,0,1|1,0,1]=4 6004 B12R1.224 Cc1cccc(c1C)CC(=O)[13CH3] 1458a_100011698479_200025704644 [0,1,0,0,0,1|0,0,0]=2 6005 B12R1.224 Cc1cccc(c1C)CN(C)C 2230a_100000207598_200000210301 [0,1,0,0,0,1|2,0,0]=4 6006 B12R1.224 Cc1cccc(c1C)CN(C)C 2230a_100102631434_100011515928 [0,1,0,0,0,1|2,0,0]=4 6007 B12R1.224 Cc1cccc(c1C)CN(C)C 269982a_100000207598_200000210301 [0,1,0,0,0,1|2,0,0]=4 6008 B12R1.224 Cc1cccc(c1C)CN(C)C 269982a_100102631434_100011515928 [0,1,0,0,0,1|2,0,0]=4 6009 B12R1.224 Cc1cccc(c1C)CN(C)C 270004a_100102631434_100000229941 [0,1,0,0,0,1|2,0,0]=4 6010 B12R1.224 Cc1cccc(c1C)CN(C)C 34a_100000207598_200000210301 [0,1,0,0,0,1|2,0,0]=4 6011 B12R1.224 Cc1cccc(c1C)CN(C)[13CH3] 2230a_100000207598_200025704644 [0,1,0,0,0,1|2,0,0]=4 6012 B12R1.224 Cc1cccc(c1C)CN(C)[13CH3] 269982a_100000207598_200025704644 [0,1,0,0,0,1|2,0,0]=4 6013 B12R1.224 Cc1cccc(c1C)CN(C)[13CH3] 34a_100000207598_200025704644 [0,1,0,0,0,1|2,0,0]=4 6014 B12R1.224 Cc1cccc(c1C)NC(C)C 2230a_100000210026_100000210206 [0,1,0,0,0,1|1,0,1]=4 6015 B12R1.224 Cc1cccc(c1C)NC(C)C 34a_100000210026_100000210206 [0,1,0,0,0,1|1,0,1]=4 6016 B12R1.224 Cc1cccc(c1C)NC(C)C 7a_100000210026_100000210206 [0,1,0,0,0,1|1,0,1]=4 6017 B12R1.224 Cc1cccc(c1C)OC(C)C 34a_100000185855_100000210206 [0,1,0,0,0,1|1,0,1]=4 6018 B12R1.224 Cc1cccc(c1C)OC(C)C 7a_100000185855_100000210206 [0,1,0,0,0,1|1,0,1]=4 6019 B12R1.224 Cc1cccc(c1C)SC(C)C 62a_100000210206_100011214922 [0,1,0,0,0,1|1,0,1]=4 6020 B12R1.224 Cc1cccc(c1C)SC(C)C 62a_100011214922_100000210206 [0,1,0,0,0,1|1,0,1]=4 6021 B12R1.224 Cc1cccc(c1Cl)CN(C)C 270004a_100102631434_100012017286 [0,1,0,0,0,1|2,0,0]=4 6022 B12R1.224 Cc1cccc(c1Cl)NC(C)C 34a_100000765562_100000210206 [0,1,0,0,0,1|1,0,1]=4 6023 B12R1.224 Cc1cccc(c1Cl)NC(C)C 7a_100000765562_100000210206 [0,1,0,0,0,1|1,0,1]=4 6024 B12R1.224 Cc1cccc(c1Cl)OC(C)C 34a_100000695629_100000210206 [0,1,0,0,0,1|1,0,1]=4 6025 B12R1.224 Cc1cccc(c1Cl)OC(C)C 7a_100000695629_100000210206 [0,1,0,0,0,1|1,0,1]=4 6026 B12R1.224 Cc1cccc(c1Cl)SC(C)C 62a_100000210206_200012352035 [0,1,0,0,0,1|1,0,1]=4 6027 B12R1.224 Cc1cccc(c1Cl)SC(C)C 62a_200012352035_100000210206 [0,1,0,0,0,1|1,0,1]=4 6028 B12R1.224 Cc1cccc(c1F)CN(C)C 2230a_100102631434_100011216058 [0,1,0,0,0,1|2,0,0]=4 6029 B12R1.224 Cc1cccc(c1F)CN(C)C 269982a_100102631434_100011216058 [0,1,0,0,0,1|2,0,0]=4 6030 B12R1.224 Cc1cccc(c1F)CN(C)C 270004a_100102631434_100011219516 [0,1,0,0,0,1|2,0,0]=4 6031 B12R1.224 Cc1cccc(c1F)NC(C)C 2230a_100000697159_100000210206 [0,1,0,0,0,1|1,0,1]=4 6032 B12R1.224 Cc1cccc(c1F)NC(C)C 34a_100000697159_100000210206 [0,1,0,0,0,1|1,0,1]=4 6033 B12R1.224 Cc1cccc(c1F)NC(C)C 7a_100000697159_100000210206 [0,1,0,0,0,1|1,0,1]=4 6034 B12R1.224 Cc1cccc(c1F)OC(C)C 34a_100000751311_100000210206 [0,1,0,0,0,1|1,0,1]=4 6035 B12R1.224 Cc1cccc(c1F)OC(C)C 7a_100000751311_100000210206 [0,1,0,0,0,1|1,0,1]=4 6036 B12R1.224 Cc1cccc(c1F)SC(C)C 62a_100000210206_100000717567 [0,1,0,0,0,1|1,0,1]=4 6037 B12R1.224 Cc1cccc(c1F)SC(C)C 62a_100000717567_100000210206 [0,1,0,0,0,1|1,0,1]=4 6038 B12R1.224 Cc1cccc(c1I)NC(C)C 34a_100000761888_100000210206 [0,1,0,0,0,1|1,0,1]=4 6039 B12R1.224 Cc1cccc(c1I)OC(C)C 34a_100010083724_100000210206 [0,1,0,0,0,1|1,0,1]=4 6040 B12R1.224 Cc1cccc(c1I)OC(C)C 7a_100010083724_100000210206 [0,1,0,0,0,1|1,0,1]=4 6041 B12R1.224 Cc1cccc(c1N)OC(C)C 34a_100000743429_100000210206 [0,1,0,0,0,1|1,0,1]=4 6042 B12R1.224 Cc1cccc(c1N)OC(C)C 7a_100000743429_100000210206 [0,1,0,0,0,1|1,0,1]=4 6043 B12R1.224 Cc1cccc(c1N)SC(C)C 62a_100000210206_100011834072 [0,1,0,0,0,1|1,0,1]=4 6044 B12R1.224 Cc1cccc(c1N)SC(C)C 62a_100011834072_100000210206 [0,1,0,0,0,1|1,0,1]=4 6045 B12R1.224 Cc1cccc(c1O)CC(=O)N 271570a_203496583355_100011096275 [0,1,0,0,0,1|1,0,0]=3 6046 B12R1.224 Cc1cccc(c1O)NC(C)C 34a_100000756359_100000210206 [0,1,0,0,0,1|1,0,1]=4 6047 B12R1.224 Cc1cccc(c1O)SC(C)C 62a_100000210206_100009817157 [0,1,0,0,0,1|1,0,1]=4 6048 B12R1.224 Cc1cccc(c1O)SC(C)C 62a_100009817157_100000210206 [0,1,0,0,0,1|1,0,1]=4 6049 B12R1.224 Cc1cccn(c1=O)CC(=O)[13CH3] 1458a_100000697016_200025704644 [0,1,0,0,0,1|1,0,0]=3 6050 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200025704644 [0,1,0,0,0,1|1,0,0]=3 6051 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)F 1458a_100012356664_200025704644 [0,1,0,0,0,1|1,0,0]=3 6052 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200025704644 [0,1,0,0,0,1|1,0,0]=3 6053 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200025704644 [0,1,0,0,0,1|1,0,0]=3 6054 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200025704644 [0,1,0,0,0,1|1,0,0]=3 6055 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Br 1458a_100011935088_200025704644 [0,1,0,0,0,1|1,0,0]=3 6056 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200025704644 [0,1,0,0,0,1|1,0,0]=3 6057 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)F 1458a_100000684727_200025704644 [0,1,0,0,0,1|1,0,0]=3 6058 B12R1.225 CC(=C(C)c1cc(ccn1)C)C 271570a_200000049429_100000750283 [0,1,0,0,0,1|2,0,0]=4 6059 B12R1.225 CC(=C(C)c1ccc[n+](c1)C)C 271570a_200000049429_100009996589 [0,1,0,0,0,1|2,0,0]=4 6060 B12R1.225 CC(=C(C)c1cccc(c1)Br)C 271570a_200000049429_100000691529 [0,1,0,0,0,1|2,0,0]=4 6061 B12R1.225 CC(=C(C)c1cccc(c1)C)C 271570a_200000049429_100011215228 [0,1,0,0,0,1|1,0,0]=3 6062 B12R1.225 CC(=C(C)c1cccc(c1)Cl)C 271570a_200000049429_100000699651 [0,1,0,0,0,1|2,0,0]=4 6063 B12R1.225 CC(=C(C)c1cccc(c1)F)C 271570a_200000049429_100000685547 [0,1,0,0,0,1|2,0,0]=4 6064 B12R1.225 CC(=C(C)c1cccc(c1)N)C 271570a_200000049429_100000210019 [0,1,0,0,0,1|2,0,0]=4 6065 B12R1.225 CC(=C(C)c1cccc(c1)O)C 271570a_200000049429_100000211634 [0,1,0,0,0,1|2,0,0]=4 6066 B12R1.225 CC(=C(C)c1cccc(c1)[S])C 271570a_200000049429_114929384022 [0,1,0,0,0,1|2,0,0]=4 6067 B12R1.225 CC(=C(C)c1cccc(n1)C)C 271570a_200000049429_100000742759 [0,1,0,0,0,1|2,0,0]=4 6068 B12R1.225 CC(=C(C)c1ccnc(c1)C)C 271570a_200000049429_100000758586 [0,1,0,0,0,1|2,0,0]=4 6069 B12R1.225 CC(=C(C)c1cncc(c1)C)C 271570a_200000049429_100000760492 [0,1,0,0,0,1|2,0,0]=4 6070 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [0,1,0,0,0,1|1,0,0]=3 6071 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [0,1,0,0,0,1|1,0,0]=3 6072 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [0,1,0,0,0,1|1,0,0]=3 6073 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,1,0,0,0,1|0,0,0]=2 6074 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,1,0,0,0,1|1,0,0]=3 6075 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,1,0,0,0,1|1,0,0]=3 6076 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100015343762 [0,1,0,0,0,1|1,0,0]=3 6077 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100015343762 [0,1,0,0,0,1|1,0,0]=3 6078 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000070787 [0,1,0,0,0,1|1,0,0]=3 6079 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100103153847 [0,1,0,0,0,1|1,0,0]=3 6080 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [0,1,0,0,0,1|0,0,0]=2 6081 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [0,1,0,0,0,1|0,0,0]=2 6082 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [0,1,0,0,0,1|0,0,0]=2 6083 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100015343762 [0,1,0,0,0,1|1,0,0]=3 6084 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100015343762 [0,1,0,0,0,1|1,0,0]=3 6085 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000070787 [0,1,0,0,0,1|1,0,0]=3 6086 B12R1.225 CC(=O)N(C)c1cccc(c1)F 11a_100020633736_100015343762 [0,1,0,0,0,1|1,0,0]=3 6087 B12R1.225 CC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100015343762 [0,1,0,0,0,1|1,0,0]=3 6088 B12R1.225 CC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000070787 [0,1,0,0,0,1|1,0,0]=3 6089 B12R1.225 CC(=O)N(C)c1cccc(c1)I 11a_100000221217_100015343762 [0,1,0,0,0,1|1,0,0]=3 6090 B12R1.225 CC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100015343762 [0,1,0,0,0,1|1,0,0]=3 6091 B12R1.225 CC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000070787 [0,1,0,0,0,1|1,0,0]=3 6092 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [0,1,0,0,0,1|1,0,0]=3 6093 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,1,0,0,0,1|0,0,0]=2 6094 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [0,1,0,0,0,1|1,0,0]=3 6095 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [0,1,0,0,0,1|1,0,0]=3 6096 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [0,1,0,0,0,1|1,0,0]=3 6097 B12R1.225 Cc1cccc(c1)C(=O)C(C)C 1458a_100000189346_100000210206 [0,1,0,0,0,1|1,0,1]=4 6098 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 11a_100102631434_100000189346 [0,1,0,0,0,1|2,0,0]=4 6099 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 1626a_100102631434_100000189346 [0,1,0,0,0,1|2,0,0]=4 6100 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 240690a_100102631434_100000189346 [0,1,0,0,0,1|2,0,0]=4 6101 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 527a_100102631434_100000189346 [0,1,0,0,0,1|2,0,0]=4 6102 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,1,0,0,0,1|0,0,0]=2 6103 B12R1.225 Cc1cccc(c1)N(C)C(C)C 2230a_100000219674_100000210206 [0,1,0,0,0,1|1,0,1]=4 6104 B12R1.225 Cc1cccc(c1)N(C)C(C)C 269982a_100000219674_100000210206 [0,1,0,0,0,1|1,0,1]=4 6105 B12R1.225 Cc1cccc(c1)N(C)C(C)C 34a_100000219674_100000210206 [0,1,0,0,0,1|1,0,1]=4 6106 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,1,0,0,0,1|0,0,0]=2 6107 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,1,0,0,0,1|1,0,0]=3 6108 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,1,0,0,0,1|1,0,0]=3 6109 B12R1.438 C#Cc1cccc(c1)NC(=O)C 11a_100000735509_100015343762 [0,1,0,0,0,1|0,0,1]=3 6110 B12R1.438 C#Cc1cccc(c1)NC(=O)C 1626a_100000735509_100015343762 [0,1,0,0,0,1|0,0,1]=3 6111 B12R1.438 C#Cc1cccc(c1)NC(=O)C 22a_100000735509_100000070787 [0,1,0,0,0,1|0,0,1]=3 6112 B12R1.438 C#Cc1cccc(c1)NC(=O)C 527a_100000735509_100103153847 [0,1,0,0,0,1|0,0,1]=3 6113 B12R1.438 C=Cc1cc(ccn1)NC(=O)C 271570a_100011290941_100000238608 [0,1,0,0,0,1|1,0,1]=4 6114 B12R1.438 C=Cc1cccc(c1)CC(=O)C 271570a_100011290941_100000689217 [0,1,0,0,0,1|0,0,1]=3 6115 B12R1.438 C=Cc1cccc(c1)CC(=O)N 271570a_100011290941_100011586816 [0,1,0,0,0,1|1,0,1]=4 6116 B12R1.438 C=Cc1cccc(c1)NC(=O)C 11a_100011827668_100015343762 [0,1,0,0,0,1|0,0,1]=3 6117 B12R1.438 C=Cc1cccc(c1)NC(=O)C 1626a_100011827668_100015343762 [0,1,0,0,0,1|0,0,1]=3 6118 B12R1.438 C=Cc1cccc(c1)NC(=O)C 22a_100011827668_100000070787 [0,1,0,0,0,1|0,0,1]=3 6119 B12R1.438 C=Cc1cccc(c1)NC(=O)C 271570a_100011290941_100000153616 [0,1,0,0,0,1|0,0,1]=3 6120 B12R1.438 C=Cc1cccc(c1)NC(=O)C 527a_100011827668_100103153847 [0,1,0,0,0,1|0,0,1]=3 6121 B12R1.438 C=Cc1cccc(c1)NC(=O)N 271570a_100011290941_100000238923 [0,1,0,0,0,1|1,0,1]=4 6122 B12R1.438 C=Cc1cccc(c1)OC(=O)C 271570a_100011290941_100009811612 [0,1,0,0,0,1|0,0,1]=3 6123 B12R1.438 C=Cc1cccc(n1)NC(=O)C 271570a_100011290941_200011307899 [0,1,0,0,0,1|1,0,1]=4 6124 B12R1.438 C=Cc1ccnc(c1)NC(=O)C 271570a_100011290941_100012362434 [0,1,0,0,0,1|1,0,1]=4 6125 B12R1.438 C=Cc1cncc(c1)NC(=O)C 271570a_100011290941_100012351681 [0,1,0,0,0,1|1,0,1]=4 6126 B12R1.438 CC(=Cc1cc(ccn1)CO)C 271570a_100102525489_100009814636 [0,1,0,0,0,1|2,0,0]=4 6127 B12R1.438 CC(=Cc1cccc(c1)C#N)C 271570a_100102525489_100000189340 [0,1,0,0,0,1|1,0,1]=4 6128 B12R1.438 CC(=Cc1cccc(c1)C=O)C 271570a_100102525489_100000014684 [0,1,0,0,0,1|1,0,1]=4 6129 B12R1.438 CC(=Cc1cccc(c1)CF)C 271570a_100102525489_100010878472 [0,1,0,0,0,1|1,0,0]=3 6130 B12R1.438 CC(=Cc1cccc(c1)CN)C 271570a_100102525489_100000106179 [0,1,0,0,0,1|1,0,0]=3 6131 B12R1.438 CC(=Cc1cccc(c1)CO)C 271570a_100102525489_100000687537 [0,1,0,0,0,1|1,0,0]=3 6132 B12R1.438 CC(=Cc1cccc(c1)NN)C 271570a_100102525489_100000217339 [0,1,0,0,0,1|2,0,0]=4 6133 B12R1.438 CC(=Cc1cccc(n1)CN)C 271570a_100102525489_100016990191 [0,1,0,0,0,1|2,0,0]=4 6134 B12R1.438 CC(=Cc1cccc(n1)CO)C 271570a_100102525489_100000694195 [0,1,0,0,0,1|2,0,0]=4 6135 B12R1.438 CC(=Cc1ccnc(c1)CN)C 271570a_100102525489_100000085674 [0,1,0,0,0,1|2,0,0]=4 6136 B12R1.438 CC(=Cc1ccnc(c1)CO)C 271570a_100102525489_100009819072 [0,1,0,0,0,1|2,0,0]=4 6137 B12R1.438 CC(=Cc1cncc(c1)CN)C 271570a_100102525489_100011249555 [0,1,0,0,0,1|2,0,0]=4 6138 B12R1.438 CC(=Cc1cncc(c1)CO)C 271570a_100102525489_100011259137 [0,1,0,0,0,1|2,0,0]=4 6139 B12R1.438 CC(=O)Cc1cccc(c1)C#N 1458a_100000070787_100000233786 [0,1,0,0,0,1|0,0,1]=3 6140 B12R1.438 CC(=O)Cc1cccc(c1)C#N 1458a_100000684415_200000210301 [0,1,0,0,0,1|0,0,1]=3 6141 B12R1.438 CC(=O)Cc1cccc(c1)C=O 1458a_100000070787_100009816774 [0,1,0,0,0,1|0,0,1]=3 6142 B12R1.438 CC(=O)Cc1cccc(c1)CO 1458a_100000070787_100010188025 [0,1,0,0,0,1|0,0,0]=2 6143 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [0,1,0,0,0,1|0,0,0]=2 6144 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [0,1,0,0,0,1|0,0,0]=2 6145 B12R1.438 CC(=O)Cc1cccc(n1)C#N 1458a_100000070787_100000097530 [0,1,0,0,0,1|1,0,1]=4 6146 B12R1.438 CC(=O)Cc1cccc(n1)CO 1458a_100000070787_100009813551 [0,1,0,0,0,1|1,0,0]=3 6147 B12R1.438 CC(=O)Cc1cncc(c1)C#N 1458a_100000070787_200020634941 [0,1,0,0,0,1|1,0,1]=4 6148 B12R1.438 CC(=O)Nc1cc(ccn1)S[13CH3] 62a_200025704644_100012362434 [0,1,0,0,0,1|1,0,0]=3 6149 B12R1.438 CC(=O)Nc1cccc(c1)C#N 11a_100000210922_100015343762 [0,1,0,0,0,1|0,0,1]=3 6150 B12R1.438 CC(=O)Nc1cccc(c1)C#N 1626a_100000210922_100015343762 [0,1,0,0,0,1|0,0,1]=3 6151 B12R1.438 CC(=O)Nc1cccc(c1)C#N 22a_100000210922_100000070787 [0,1,0,0,0,1|0,0,1]=3 6152 B12R1.438 CC(=O)Nc1cccc(c1)C#N 527a_100000210922_100103153847 [0,1,0,0,0,1|0,0,1]=3 6153 B12R1.438 CC(=O)Nc1cccc(c1)CF 11a_100000126320_100015343762 [0,1,0,0,0,1|0,0,0]=2 6154 B12R1.438 CC(=O)Nc1cccc(c1)CF 1626a_100000126320_100015343762 [0,1,0,0,0,1|0,0,0]=2 6155 B12R1.438 CC(=O)Nc1cccc(c1)CF 22a_100000126320_100000070787 [0,1,0,0,0,1|0,0,0]=2 6156 B12R1.438 CC(=O)Nc1cccc(c1)CF 527a_100000126320_100103153847 [0,1,0,0,0,1|0,0,0]=2 6157 B12R1.438 CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000070787 [0,1,0,0,0,1|0,0,0]=2 6158 B12R1.438 CC(=O)Nc1cccc(c1)N[13CH3] 34a_100000749408_200025704644 [0,1,0,0,0,1|0,0,0]=2 6159 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [0,1,0,0,0,1|0,0,0]=2 6160 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [0,1,0,0,0,1|0,0,0]=2 6161 B12R1.438 CC(=O)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000153616 [0,1,0,0,0,1|0,0,0]=2 6162 B12R1.438 CC(=O)Nc1cccc(n1)S[13CH3] 62a_200025704644_200011307899 [0,1,0,0,0,1|1,0,0]=3 6163 B12R1.438 CC(=O)Nc1ccnc(c1)S[13CH3] 62a_200025704644_100000238608 [0,1,0,0,0,1|1,0,0]=3 6164 B12R1.438 CC(=O)Nc1cncc(c1)S[13CH3] 62a_200025704644_100012351681 [0,1,0,0,0,1|1,0,0]=3 6165 B12R1.438 CC(=O)Nc1cncc(n1)S[13CH3] 62a_200025704644_100000703374 [0,1,0,0,0,1|2,0,0]=4 6166 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [0,1,0,0,0,1|0,0,0]=2 6167 B12R1.438 CC(=O)Oc1cccc(c1)S[13CH3] 62a_200025704644_100009811612 [0,1,0,0,0,1|0,0,0]=2 6168 B12R1.438 CC(C)Cc1cccc(c1)S[13CH3] 62a_100010883412_200025704644 [0,1,0,0,0,1|1,0,1]=4 6169 B12R1.438 CC(C)Cc1cccc(c1)S[13CH3] 62a_200025704644_100010883412 [0,1,0,0,0,1|1,0,1]=4 6170 B12R1.438 CC(C)Nc1cccc(c1)CF 2230a_100000126320_100000210206 [0,1,0,0,0,1|1,0,1]=4 6171 B12R1.438 CC(C)Nc1cccc(c1)CF 34a_100000126320_100000210206 [0,1,0,0,0,1|1,0,1]=4 6172 B12R1.438 CC(C)Nc1cccc(c1)CF 7a_100000126320_100000210206 [0,1,0,0,0,1|1,0,1]=4 6173 B12R1.438 CC(C)Nc1cccc(c1)CO 2230a_100000211919_100000210206 [0,1,0,0,0,1|1,0,1]=4 6174 B12R1.438 CC(C)Nc1cccc(c1)CO 34a_100000211919_100000210206 [0,1,0,0,0,1|1,0,1]=4 6175 B12R1.438 CC(C)Nc1cccc(c1)S[13CH3] 62a_100000219649_200025704644 [0,1,0,0,0,1|1,0,1]=4 6176 B12R1.438 CC(C)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000219649 [0,1,0,0,0,1|1,0,1]=4 6177 B12R1.438 CC(C)Oc1cccc(c1)CBr 34a_100011660834_100000210206 [0,1,0,0,0,1|1,0,1]=4 6178 B12R1.438 CC(C)Oc1cccc(c1)CBr 7a_100011660834_100000210206 [0,1,0,0,0,1|1,0,1]=4 6179 B12R1.438 CC(C)Oc1cccc(c1)CCl 34a_100000084143_100000210206 [0,1,0,0,0,1|1,0,1]=4 6180 B12R1.438 CC(C)Oc1cccc(c1)CCl 7a_100000084143_100000210206 [0,1,0,0,0,1|1,0,1]=4 6181 B12R1.438 CC(C)Oc1cccc(c1)CN 34a_100000743036_100000210206 [0,1,0,0,0,1|1,0,1]=4 6182 B12R1.438 CC(C)Oc1cccc(c1)CO 34a_100011214949_100000210206 [0,1,0,0,0,1|1,0,1]=4 6183 B12R1.438 CC(C)Oc1cccc(c1)CO 7a_100011214949_100000210206 [0,1,0,0,0,1|1,0,1]=4 6184 B12R1.438 CC(C)Oc1cccc(c1)N[13CH3] 2230a_100011194262_200025704644 [0,1,0,0,0,1|1,0,1]=4 6185 B12R1.438 CC(C)Oc1cccc(c1)N[13CH3] 34a_100011194262_200025704644 [0,1,0,0,0,1|1,0,1]=4 6186 B12R1.438 CC(C)Oc1cccc(c1)N[13CH3] 7a_100011194262_200025704644 [0,1,0,0,0,1|1,0,1]=4 6187 B12R1.438 CC(C)Oc1cccc(c1)O[13CH3] 34a_100000753242_200025704644 [0,1,0,0,0,1|1,0,1]=4 6188 B12R1.438 CC(C)Oc1cccc(c1)O[13CH3] 7a_100000753242_200025704644 [0,1,0,0,0,1|1,0,1]=4 6189 B12R1.438 CC(C)Oc1cccc(c1)S[13CH3] 62a_100000170003_200025704644 [0,1,0,0,0,1|1,0,1]=4 6190 B12R1.438 CC(C)Oc1cccc(c1)S[13CH3] 62a_200025704644_100000170003 [0,1,0,0,0,1|1,0,1]=4 6191 B12R1.438 CC(C)Sc1cccc(c1)CF 62a_100000210206_100010878472 [0,1,0,0,0,1|1,0,1]=4 6192 B12R1.438 CC(C)Sc1cccc(c1)CF 62a_100010878472_100000210206 [0,1,0,0,0,1|1,0,1]=4 6193 B12R1.438 CC(C)Sc1cccc(c1)CN 62a_100000106179_100000210206 [0,1,0,0,0,1|1,0,1]=4 6194 B12R1.438 CC(C)Sc1cccc(c1)CN 62a_100000210206_100000106179 [0,1,0,0,0,1|1,0,1]=4 6195 B12R1.438 CC(C)Sc1cccc(c1)CO 62a_100000210206_100000687537 [0,1,0,0,0,1|1,0,1]=4 6196 B12R1.438 CC(C)Sc1cccc(c1)CO 62a_100000687537_100000210206 [0,1,0,0,0,1|1,0,1]=4 6197 B12R1.438 CC(C)Sc1cccc(c1)S[13CH3] 62a_100009815759_200025704644 [0,1,0,0,0,1|1,0,1]=4 6198 B12R1.438 CC(C)Sc1cccc(c1)S[13CH3] 62a_200025704644_100009815759 [0,1,0,0,0,1|1,0,1]=4 6199 B12R1.438 CCc1cc(ccn1)C=C(C)C 271570a_100102525489_100009820011 [0,1,0,0,0,1|2,0,0]=4 6200 B12R1.438 CCc1cccc(c1)C=C(C)C 271570a_100102525489_100000684523 [0,1,0,0,0,1|1,0,0]=3 6201 B12R1.438 CCc1cccc(c1)CN(C)C 270004a_100102631434_100011999841 [0,1,0,0,0,1|2,0,0]=4 6202 B12R1.438 CCc1cccc(c1)NC(=O)C 11a_100000211250_100015343762 [0,1,0,0,0,1|0,0,0]=2 6203 B12R1.438 CCc1cccc(c1)NC(=O)C 1626a_100000211250_100015343762 [0,1,0,0,0,1|0,0,0]=2 6204 B12R1.438 CCc1cccc(c1)NC(=O)C 22a_100000211250_100000070787 [0,1,0,0,0,1|0,0,0]=2 6205 B12R1.438 CCc1cccc(c1)NC(=O)C 527a_100000211250_100103153847 [0,1,0,0,0,1|0,0,0]=2 6206 B12R1.438 CCc1cccc(c1)NC(C)C 2230a_100000211250_100000210206 [0,1,0,0,0,1|1,0,1]=4 6207 B12R1.438 CCc1cccc(c1)NC(C)C 34a_100000211250_100000210206 [0,1,0,0,0,1|1,0,1]=4 6208 B12R1.438 CCc1cccc(c1)NC(C)C 7a_100000211250_100000210206 [0,1,0,0,0,1|1,0,1]=4 6209 B12R1.438 CCc1cccc(c1)OC(C)C 34a_100000211550_100000210206 [0,1,0,0,0,1|1,0,1]=4 6210 B12R1.438 CCc1cccc(c1)OC(C)C 7a_100000211550_100000210206 [0,1,0,0,0,1|1,0,1]=4 6211 B12R1.438 CCc1cccc(c1)SC(C)C 62a_100000210206_100011263222 [0,1,0,0,0,1|1,0,1]=4 6212 B12R1.438 CCc1cccc(c1)SC(C)C 62a_100011263222_100000210206 [0,1,0,0,0,1|1,0,1]=4 6213 B12R1.438 CCc1cccc(n1)C=C(C)C 271570a_100102525489_100009856026 [0,1,0,0,0,1|2,0,0]=4 6214 B12R1.438 CCc1ccnc(c1)C=C(C)C 271570a_100102525489_100009817561 [0,1,0,0,0,1|2,0,0]=4 6215 B12R1.438 CCc1cncc(c1)C=C(C)C 271570a_100102525489_200009819073 [0,1,0,0,0,1|2,0,0]=4 6216 B12R1.438 CN(C)Cc1cccc(c1)CO 2230a_100102631434_100010188025 [0,1,0,0,0,1|2,0,0]=4 6217 B12R1.438 CN(C)Cc1cccc(c1)CO 269982a_100102631434_100010188025 [0,1,0,0,0,1|2,0,0]=4 6218 B12R1.438 CN(C)Cc1cccc(c1)CO 270004a_100102631434_200000050894 [0,1,0,0,0,1|2,0,0]=4 6219 B12R1.438 CN(C)Cc1cccc(c1)S[13CH3] 62a_100000174759_200025704644 [0,1,0,0,0,1|2,0,0]=4 6220 B12R1.438 CN(C)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000174759 [0,1,0,0,0,1|2,0,0]=4 6221 B12R1.438 CNc1cc(ccn1)C=C(C)C 271570a_100102525489_100009819592 [0,1,0,0,0,1|2,0,0]=4 6222 B12R1.438 CNc1cccc(c1)C=C(C)C 271570a_100102525489_100000219648 [0,1,0,0,0,1|1,0,0]=3 6223 B12R1.438 CNc1cccc(c1)CC(=O)N 2230a_200011690101_200000210301 [0,1,0,0,0,1|1,0,0]=3 6224 B12R1.438 CNc1cccc(c1)CC(=O)N 34a_200011690101_200000210301 [0,1,0,0,0,1|1,0,0]=3 6225 B12R1.438 CNc1cccc(c1)NC(=O)C 34a_100000749408_200000210301 [0,1,0,0,0,1|0,0,0]=2 6226 B12R1.438 CNc1cccc(c1)NC(=O)N 34a_100000736001_200000210301 [0,1,0,0,0,1|1,0,0]=3 6227 B12R1.438 CNc1cccc(c1)OC(C)C 2230a_100011194262_200000210301 [0,1,0,0,0,1|1,0,1]=4 6228 B12R1.438 CNc1cccc(c1)OC(C)C 34a_100000756613_100000210206 [0,1,0,0,0,1|1,0,1]=4 6229 B12R1.438 CNc1cccc(c1)OC(C)C 34a_100011194262_200000210301 [0,1,0,0,0,1|1,0,1]=4 6230 B12R1.438 CNc1cccc(c1)OC(C)C 7a_100000756613_100000210206 [0,1,0,0,0,1|1,0,1]=4 6231 B12R1.438 CNc1cccc(c1)OC(C)C 7a_100011194262_200000210301 [0,1,0,0,0,1|1,0,1]=4 6232 B12R1.438 CNc1cccc(c1)SC(C)C 62a_100000210206_100000219648 [0,1,0,0,0,1|1,0,1]=4 6233 B12R1.438 CNc1cccc(c1)SC(C)C 62a_100000219648_100000210206 [0,1,0,0,0,1|1,0,1]=4 6234 B12R1.438 CNc1cccc(n1)C=C(C)C 271570a_100102525489_100000703281 [0,1,0,0,0,1|2,0,0]=4 6235 B12R1.438 CNc1ccnc(c1)C=C(C)C 271570a_100102525489_100009869472 [0,1,0,0,0,1|2,0,0]=4 6236 B12R1.438 CNc1cncc(c1)C=C(C)C 271570a_100102525489_100012184536 [0,1,0,0,0,1|2,0,0]=4 6237 B12R1.438 COc1cc(ccn1)C=C(C)C 271570a_100102525489_100000117307 [0,1,0,0,0,1|2,0,0]=4 6238 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000070787_100103152439 [0,1,0,0,0,1|1,0,0]=3 6239 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000718155_200000210301 [0,1,0,0,0,1|1,0,0]=3 6240 B12R1.438 COc1cc(ccn1)CC(=O)[13CH3] 1458a_100000718155_200025704644 [0,1,0,0,0,1|1,0,0]=3 6241 B12R1.438 COc1cccc(c1)C=C(C)C 271570a_100102525489_100000170001 [0,1,0,0,0,1|1,0,0]=3 6242 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [0,1,0,0,0,1|0,0,0]=2 6243 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [0,1,0,0,0,1|0,0,0]=2 6244 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [0,1,0,0,0,1|1,0,0]=3 6245 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [0,1,0,0,0,1|1,0,0]=3 6246 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [0,1,0,0,0,1|0,0,0]=2 6247 B12R1.438 COc1cccc(c1)CN(C)C 2230a_100000184262_200000210301 [0,1,0,0,0,1|2,0,0]=4 6248 B12R1.438 COc1cccc(c1)CN(C)C 2230a_100102631434_100000211672 [0,1,0,0,0,1|2,0,0]=4 6249 B12R1.438 COc1cccc(c1)CN(C)C 269982a_100000184262_200000210301 [0,1,0,0,0,1|2,0,0]=4 6250 B12R1.438 COc1cccc(c1)CN(C)C 269982a_100102631434_100000688526 [0,1,0,0,0,1|2,0,0]=4 6251 B12R1.438 COc1cccc(c1)CN(C)C 270004a_100102631434_100000170238 [0,1,0,0,0,1|2,0,0]=4 6252 B12R1.438 COc1cccc(c1)CN(C)[13CH3] 2230a_100000184262_200025704644 [0,1,0,0,0,1|2,0,0]=4 6253 B12R1.438 COc1cccc(c1)CN(C)[13CH3] 269982a_100000184262_200025704644 [0,1,0,0,0,1|2,0,0]=4 6254 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [0,1,0,0,0,1|0,0,0]=2 6255 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [0,1,0,0,0,1|0,0,0]=2 6256 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [0,1,0,0,0,1|0,0,0]=2 6257 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [0,1,0,0,0,1|0,0,0]=2 6258 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [0,1,0,0,0,1|0,0,0]=2 6259 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [0,1,0,0,0,1|0,0,0]=2 6260 B12R1.438 COc1cccc(c1)NC(=O)N 34a_100011219624_200000210301 [0,1,0,0,0,1|1,0,0]=3 6261 B12R1.438 COc1cccc(c1)NC(=O)N 7a_100011219624_200000210301 [0,1,0,0,0,1|1,0,0]=3 6262 B12R1.438 COc1cccc(c1)NC(=S)N 7a_100000023991_200000210301 [0,1,0,0,0,1|1,1,0]=4 6263 B12R1.438 COc1cccc(c1)NC(C)C 34a_100000210024_100000210206 [0,1,0,0,0,1|1,0,1]=4 6264 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [0,1,0,0,0,1|0,0,0]=2 6265 B12R1.438 COc1cccc(c1)OC(C)C 34a_100000211255_100000210206 [0,1,0,0,0,1|1,0,1]=4 6266 B12R1.438 COc1cccc(c1)OC(C)C 34a_100000753242_200000210301 [0,1,0,0,0,1|1,0,1]=4 6267 B12R1.438 COc1cccc(c1)OC(C)C 7a_100000211255_100000210206 [0,1,0,0,0,1|1,0,1]=4 6268 B12R1.438 COc1cccc(c1)OC(C)C 7a_100000753242_200000210301 [0,1,0,0,0,1|1,0,1]=4 6269 B12R1.438 COc1cccc(c1)SC(C)C 62a_100000210206_100000170001 [0,1,0,0,0,1|1,0,1]=4 6270 B12R1.438 COc1cccc(n1)C=C(C)C 271570a_100102525489_100000760917 [0,1,0,0,0,1|2,0,0]=4 6271 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [0,1,0,0,0,1|1,0,0]=3 6272 B12R1.438 COc1ccnc(c1)C=C(C)C 271570a_100102525489_100011216251 [0,1,0,0,0,1|2,0,0]=4 6273 B12R1.438 COc1ccnc(c1)CC(=O)C 1458a_100000070787_100000752681 [0,1,0,0,0,1|1,0,0]=3 6274 B12R1.438 COc1cncc(c1)C=C(C)C 271570a_100102525489_100000684773 [0,1,0,0,0,1|2,0,0]=4 6275 B12R1.438 CSc1cc(ccn1)NC(=O)C 62a_200000210301_100000238608 [0,1,0,0,0,1|1,0,0]=3 6276 B12R1.438 CSc1cccc(c1)C=C(C)C 271570a_100102525489_100011215954 [0,1,0,0,0,1|1,0,0]=3 6277 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [0,1,0,0,0,1|0,0,0]=2 6278 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [0,1,0,0,0,1|0,0,0]=2 6279 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [0,1,0,0,0,1|0,0,0]=2 6280 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_100011586816_200000210301 [0,1,0,0,0,1|1,0,0]=3 6281 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_200000210301_100011586816 [0,1,0,0,0,1|1,0,0]=3 6282 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [0,1,0,0,0,1|0,0,0]=2 6283 B12R1.438 CSc1cccc(c1)CC(C)C 62a_100010883412_200000210301 [0,1,0,0,0,1|1,0,1]=4 6284 B12R1.438 CSc1cccc(c1)CC(C)C 62a_200000210301_100010883412 [0,1,0,0,0,1|1,0,1]=4 6285 B12R1.438 CSc1cccc(c1)CN(C)C 2230a_100011934695_200000210301 [0,1,0,0,0,1|2,0,0]=4 6286 B12R1.438 CSc1cccc(c1)CN(C)C 269982a_100011934695_200000210301 [0,1,0,0,0,1|2,0,0]=4 6287 B12R1.438 CSc1cccc(c1)CN(C)C 270004a_100102631434_100011935093 [0,1,0,0,0,1|2,0,0]=4 6288 B12R1.438 CSc1cccc(c1)CN(C)C 62a_100000174759_200000210301 [0,1,0,0,0,1|2,0,0]=4 6289 B12R1.438 CSc1cccc(c1)CN(C)C 62a_200000210301_100000174759 [0,1,0,0,0,1|2,0,0]=4 6290 B12R1.438 CSc1cccc(c1)CN(C)[13CH3] 2230a_100011934695_200025704644 [0,1,0,0,0,1|2,0,0]=4 6291 B12R1.438 CSc1cccc(c1)CN(C)[13CH3] 269982a_100011934695_200025704644 [0,1,0,0,0,1|2,0,0]=4 6292 B12R1.438 CSc1cccc(c1)NC(=O)C 11a_100000210049_100015343762 [0,1,0,0,0,1|0,0,0]=2 6293 B12R1.438 CSc1cccc(c1)NC(=O)C 1626a_100000210049_100015343762 [0,1,0,0,0,1|0,0,0]=2 6294 B12R1.438 CSc1cccc(c1)NC(=O)C 22a_100000210049_100000070787 [0,1,0,0,0,1|0,0,0]=2 6295 B12R1.438 CSc1cccc(c1)NC(=O)C 527a_100000210049_100103153847 [0,1,0,0,0,1|0,0,0]=2 6296 B12R1.438 CSc1cccc(c1)NC(=O)C 62a_200000210301_100000153616 [0,1,0,0,0,1|0,0,0]=2 6297 B12R1.438 CSc1cccc(c1)NC(=O)N 62a_200000210301_100000238923 [0,1,0,0,0,1|1,0,0]=3 6298 B12R1.438 CSc1cccc(c1)NC(C)C 2230a_100000210049_100000210206 [0,1,0,0,0,1|1,0,1]=4 6299 B12R1.438 CSc1cccc(c1)NC(C)C 34a_100000210049_100000210206 [0,1,0,0,0,1|1,0,1]=4 6300 B12R1.438 CSc1cccc(c1)NC(C)C 62a_100000219649_200000210301 [0,1,0,0,0,1|1,0,1]=4 6301 B12R1.438 CSc1cccc(c1)NC(C)C 62a_200000210301_100000219649 [0,1,0,0,0,1|1,0,1]=4 6302 B12R1.438 CSc1cccc(c1)OC(=O)C 62a_200000210301_100009811612 [0,1,0,0,0,1|0,0,0]=2 6303 B12R1.438 CSc1cccc(c1)OC(C)C 34a_100011265683_100000210206 [0,1,0,0,0,1|1,0,1]=4 6304 B12R1.438 CSc1cccc(c1)OC(C)C 62a_100000170003_200000210301 [0,1,0,0,0,1|1,0,1]=4 6305 B12R1.438 CSc1cccc(c1)OC(C)C 62a_200000210301_100000170003 [0,1,0,0,0,1|1,0,1]=4 6306 B12R1.438 CSc1cccc(c1)OC(C)C 7a_100011265683_100000210206 [0,1,0,0,0,1|1,0,1]=4 6307 B12R1.438 CSc1cccc(c1)SC(C)C 62a_100000210206_100011215954 [0,1,0,0,0,1|1,0,1]=4 6308 B12R1.438 CSc1cccc(c1)SC(C)C 62a_100009815759_200000210301 [0,1,0,0,0,1|1,0,1]=4 6309 B12R1.438 CSc1cccc(c1)SC(C)C 62a_100011215954_100000210206 [0,1,0,0,0,1|1,0,1]=4 6310 B12R1.438 CSc1cccc(c1)SC(C)C 62a_200000210301_100009815759 [0,1,0,0,0,1|1,0,1]=4 6311 B12R1.438 CSc1cccc(n1)C=C(C)C 271570a_100102525489_100011960944 [0,1,0,0,0,1|2,0,0]=4 6312 B12R1.438 CSc1cccc(n1)NC(=O)C 62a_200000210301_200011307899 [0,1,0,0,0,1|1,0,0]=3 6313 B12R1.438 CSc1ccnc(c1)C=C(C)C 271570a_100102525489_100010883326 [0,1,0,0,0,1|2,0,0]=4 6314 B12R1.438 CSc1ccnc(c1)NC(=O)C 62a_200000210301_100012362434 [0,1,0,0,0,1|1,0,0]=3 6315 B12R1.438 CSc1cncc(c1)C=C(C)C 271570a_100102525489_100009816972 [0,1,0,0,0,1|2,0,0]=4 6316 B12R1.438 CSc1cncc(c1)NC(=O)C 62a_200000210301_100012351681 [0,1,0,0,0,1|1,0,0]=3 6317 B12R1.438 CSc1cncc(n1)NC(=O)C 62a_200000210301_100000703374 [0,1,0,0,0,1|2,0,0]=4 6318 B12R1.438 [13CH3]C(=O)Cc1cccc(c1)C#N 1458a_100000684415_200025704644 [0,1,0,0,0,1|0,0,1]=3 6319 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 2230a_200011690101_200025704644 [0,1,0,0,0,1|1,0,0]=3 6320 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 34a_200011690101_200025704644 [0,1,0,0,0,1|1,0,0]=3 6321 B12R1.438 [13CH3]Nc1cccc(c1)NC(=O)N 34a_100000736001_200025704644 [0,1,0,0,0,1|1,0,0]=3 6322 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [0,1,0,0,0,1|1,0,0]=3 6323 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [0,1,0,0,0,1|1,0,0]=3 6324 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 34a_100011219624_200025704644 [0,1,0,0,0,1|1,0,0]=3 6325 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 7a_100011219624_200025704644 [0,1,0,0,0,1|1,0,0]=3 6326 B12R1.438 [13CH3]Oc1cccc(c1)NC(=S)N 7a_100000023991_200025704644 [0,1,0,0,0,1|1,1,0]=4 6327 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_100011586816_200025704644 [0,1,0,0,0,1|1,0,0]=3 6328 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_200025704644_100011586816 [0,1,0,0,0,1|1,0,0]=3 6329 B12R1.438 [13CH3]Sc1cccc(c1)NC(=O)N 62a_200025704644_100000238923 [0,1,0,0,0,1|1,0,0]=3 6330 B12R1.23 CS(=O)(=O)c1ccc(c(c1)F)O 271570a_203496583355_100010234714 [0,2,0,0,0,0|2,0,0]=4 6331 B12R1.23 CS(=O)(=O)c1ccc(c(c1)N)O 271570a_203496583355_200015322649 [0,2,0,0,0,0|2,0,0]=4 6332 B12R1.23 CS(=O)(=O)c1ccc(c(c1)O)F 271570a_203496583355_200000048130 [0,2,0,0,0,0|2,0,0]=4 6333 B12R1.23 CS(=O)(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000743533 [0,2,0,0,0,0|2,0,0]=4 6334 B12R1.23 Cc1cc(ccc1O)S(=O)(=O)C 271570a_203496583355_200010713620 [0,2,0,0,0,0|1,0,0]=3 6335 B12R1.23 Cc1cc(ccc1O)S(=O)(=O)N 271570a_203496583355_100000164573 [0,2,0,0,0,0|2,0,0]=4 6336 B12R1.23 Cc1cc(ncc1O)S(=O)(=O)C 271570a_203496583355_100015714225 [0,2,0,0,0,0|2,0,0]=4 6337 B12R1.23 Cc1ccc(cc1O)S(=O)(=O)C 271570a_203496583355_100010175561 [0,2,0,0,0,0|2,0,0]=4 6338 B12R1.48 C#Cc1ccc(cc1C)C(=O)C 1458a_100013243528_200000210301 [0,2,0,0,0,0|0,0,0]=2 6339 B12R1.48 C#Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100013243528_200025704644 [0,2,0,0,0,0|0,0,0]=2 6340 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)C 1458a_100014797261_200000210301 [0,2,0,0,0,0|1,0,0]=3 6341 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100014797261_200025704644 [0,2,0,0,0,0|1,0,0]=3 6342 B12R1.48 C=C(C)c1cc(c(cn1)C#N)C 271570a_100000694244_100012183107 [0,2,0,0,0,0|2,0,0]=4 6343 B12R1.48 C=C(C)c1cc(c(cn1)C=O)C 271570a_100000694244_100000085382 [0,2,0,0,0,0|2,0,0]=4 6344 B12R1.48 C=C(C)c1cc(c(cn1)CO)C 271570a_100000694244_100010277336 [0,2,0,0,0,0|2,0,0]=4 6345 B12R1.48 C=C(C)c1ccc(c(c1)Br)C#N 271570a_100000694244_100012349582 [0,2,0,0,0,0|2,0,0]=4 6346 B12R1.48 C=C(C)c1ccc(c(c1)Br)C=O 271570a_100000694244_100010185650 [0,2,0,0,0,0|2,0,0]=4 6347 B12R1.48 C=C(C)c1ccc(c(c1)Br)CO 271570a_100000694244_100010240206 [0,2,0,0,0,0|2,0,0]=4 6348 B12R1.48 C=C(C)c1ccc(c(c1)Br)OC 271570a_100000694244_100011249507 [0,2,0,0,0,0|2,0,0]=4 6349 B12R1.48 C=C(C)c1ccc(c(c1)C)C#N 271570a_100000694244_100000687762 [0,2,0,0,0,0|1,0,0]=3 6350 B12R1.48 C=C(C)c1ccc(c(c1)C)C=O 271570a_100000694244_100000687586 [0,2,0,0,0,0|1,0,0]=3 6351 B12R1.48 C=C(C)c1ccc(c(c1)C)CF 271570a_100000694244_200010711859 [0,2,0,0,0,0|1,0,0]=3 6352 B12R1.48 C=C(C)c1ccc(c(c1)C)CN 271570a_100000694244_100000753881 [0,2,0,0,0,0|1,0,0]=3 6353 B12R1.48 C=C(C)c1ccc(c(c1)C)CO 271570a_100000694244_100000748258 [0,2,0,0,0,0|1,0,0]=3 6354 B12R1.48 C=C(C)c1ccc(c(c1)C)NC 271570a_100000694244_100000221803 [0,2,0,0,0,0|1,0,0]=3 6355 B12R1.48 C=C(C)c1ccc(c(c1)C)NN 271570a_100000694244_100000751375 [0,2,0,0,0,0|1,0,0]=3 6356 B12R1.48 C=C(C)c1ccc(c(c1)C)OC 271570a_100000694244_100011219705 [0,2,0,0,0,0|1,0,0]=3 6357 B12R1.48 C=C(C)c1ccc(c(c1)Cl)C#N 271570a_100000694244_100012349662 [0,2,0,0,0,0|2,0,0]=4 6358 B12R1.48 C=C(C)c1ccc(c(c1)Cl)C=O 271570a_100000694244_100000727542 [0,2,0,0,0,0|2,0,0]=4 6359 B12R1.48 C=C(C)c1ccc(c(c1)Cl)OC 271570a_100000694244_100012355395 [0,2,0,0,0,0|2,0,0]=4 6360 B12R1.48 C=C(C)c1ccc(c(c1)Cl)SC 271570a_100000694244_206447510565 [0,2,0,0,0,0|2,0,0]=4 6361 B12R1.48 C=C(C)c1ccc(c(c1)F)C#N 271570a_100000694244_100000037869 [0,2,0,0,0,0|2,0,0]=4 6362 B12R1.48 C=C(C)c1ccc(c(c1)F)C=O 271570a_100000694244_100000211676 [0,2,0,0,0,0|2,0,0]=4 6363 B12R1.48 C=C(C)c1ccc(c(c1)F)CC 271570a_100000694244_200010071577 [0,2,0,0,0,0|2,0,0]=4 6364 B12R1.48 C=C(C)c1ccc(c(c1)F)CN 271570a_100000694244_100000754580 [0,2,0,0,0,0|2,0,0]=4 6365 B12R1.48 C=C(C)c1ccc(c(c1)F)CO 271570a_100000694244_100011191541 [0,2,0,0,0,0|2,0,0]=4 6366 B12R1.48 C=C(C)c1ccc(c(c1)F)NC 271570a_100000694244_100000743884 [0,2,0,0,0,0|2,0,0]=4 6367 B12R1.48 C=C(C)c1ccc(c(c1)F)NN 271570a_100000694244_100000751572 [0,2,0,0,0,0|2,0,0]=4 6368 B12R1.48 C=C(C)c1ccc(c(c1)F)OC 271570a_100000694244_100000185480 [0,2,0,0,0,0|2,0,0]=4 6369 B12R1.48 C=C(C)c1ccc(c(c1)F)SC 271570a_100000694244_100010161220 [0,2,0,0,0,0|2,0,0]=4 6370 B12R1.48 C=C(C)c1ccc(c(c1)N)C#N 271570a_100000694244_100000699244 [0,2,0,0,0,0|2,0,0]=4 6371 B12R1.48 C=C(C)c1ccc(c(c1)N)C=O 271570a_100000694244_100009814810 [0,2,0,0,0,0|2,0,0]=4 6372 B12R1.48 C=C(C)c1ccc(c(c1)N)CC 271570a_100000694244_100012354963 [0,2,0,0,0,0|2,0,0]=4 6373 B12R1.48 C=C(C)c1ccc(c(c1)N)CO 271570a_100000694244_100000718831 [0,2,0,0,0,0|2,0,0]=4 6374 B12R1.48 C=C(C)c1ccc(c(c1)N)NC 271570a_100000694244_100000741790 [0,2,0,0,0,0|2,0,0]=4 6375 B12R1.48 C=C(C)c1ccc(c(c1)N)OC 271570a_100000694244_100000743470 [0,2,0,0,0,0|2,0,0]=4 6376 B12R1.48 C=C(C)c1ccc(c(c1)O)C#N 271570a_100000694244_100011934713 [0,2,0,0,0,0|2,0,0]=4 6377 B12R1.48 C=C(C)c1ccc(c(c1)O)C=O 271570a_100000694244_100011277552 [0,2,0,0,0,0|2,0,0]=4 6378 B12R1.48 C=C(C)c1ccc(c(c1)O)CO 271570a_100000694244_100000071718 [0,2,0,0,0,0|2,0,0]=4 6379 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [0,2,0,0,0,0|2,0,0]=4 6380 B12R1.48 C=C(C)c1ccc(c(n1)C)C#N 271570a_100000694244_100000756285 [0,2,0,0,0,0|2,0,0]=4 6381 B12R1.48 C=C(C)c1ccc(c(n1)C)C=O 271570a_100000694244_100000050599 [0,2,0,0,0,0|2,0,0]=4 6382 B12R1.48 C=C(C)c1ccc(c(n1)C)OC 271570a_100000694244_100010244750 [0,2,0,0,0,0|2,0,0]=4 6383 B12R1.48 C=C(C)c1cnc(c(c1)C)C#N 271570a_100000694244_100009852605 [0,2,0,0,0,0|2,0,0]=4 6384 B12R1.48 C=C(C)c1cnc(c(c1)C)C=O 271570a_100000694244_100010185443 [0,2,0,0,0,0|2,0,0]=4 6385 B12R1.48 C=C(C)c1cnc(c(c1)C)CO 271570a_100000694244_100010116297 [0,2,0,0,0,0|2,0,0]=4 6386 B12R1.48 C=C(C)c1cnc(c(c1)C)NC 271570a_100000694244_100012357622 [0,2,0,0,0,0|2,0,0]=4 6387 B12R1.48 C=C(C)c1cnc(c(c1)C)OC 271570a_100000694244_100011290809 [0,2,0,0,0,0|2,0,0]=4 6388 B12R1.48 C=Cc1ccc(cc1Br)C(=O)C 271570a_100011290941_100010146554 [0,2,0,0,0,0|1,0,0]=3 6389 B12R1.48 C=Cc1ccc(cc1Br)C(=O)N 271570a_100011290941_100009814583 [0,2,0,0,0,0|2,0,0]=4 6390 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [0,2,0,0,0,0|0,0,0]=2 6391 B12R1.48 C=Cc1ccc(cc1C)C(=O)N 271570a_100011290941_100011218126 [0,2,0,0,0,0|1,0,0]=3 6392 B12R1.48 C=Cc1ccc(cc1C)N(C)C 271570a_100011290941_100011934168 [0,2,0,0,0,0|2,0,0]=4 6393 B12R1.48 C=Cc1ccc(cc1F)C(=O)C 271570a_100011290941_100000690002 [0,2,0,0,0,0|1,0,0]=3 6394 B12R1.48 C=Cc1ccc(cc1F)C(=O)N 271570a_100011290941_100000686215 [0,2,0,0,0,0|2,0,0]=4 6395 B12R1.48 C=Cc1ccc(cc1N)C(=O)C 271570a_100011290941_100009816534 [0,2,0,0,0,0|1,0,0]=3 6396 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [0,2,0,0,0,0|2,0,0]=4 6397 B12R1.48 C=Cc1cnc(cc1C)C(=O)C 271570a_100011290941_100011011822 [0,2,0,0,0,0|1,0,0]=3 6398 B12R1.48 C=Cc1ncc(cc1C)C(=O)C 271570a_100011290941_100009864263 [0,2,0,0,0,0|1,0,0]=3 6399 B12R1.48 CC(=O)c1cc(c(cn1)S[13CH3])C 62a_100011011822_200025704644 [0,2,0,0,0,0|1,0,0]=3 6400 B12R1.48 CC(=O)c1cc(c(cn1)S[13CH3])C 62a_200025704644_100011011822 [0,2,0,0,0,0|1,0,0]=3 6401 B12R1.48 CC(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200000210301 [0,2,0,0,0,0|1,0,0]=3 6402 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [0,2,0,0,0,0|1,0,0]=3 6403 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [0,2,0,0,0,0|1,0,0]=3 6404 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100010146554_200025704644 [0,2,0,0,0,0|1,0,0]=3 6405 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100010146554 [0,2,0,0,0,0|1,0,0]=3 6406 B12R1.48 CC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_200000210301 [0,2,0,0,0,0|0,0,0]=2 6407 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [0,2,0,0,0,0|0,0,0]=2 6408 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [0,2,0,0,0,0|0,0,0]=2 6409 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100000697869_200025704644 [0,2,0,0,0,0|0,0,0]=2 6410 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000697869 [0,2,0,0,0,0|0,0,0]=2 6411 B12R1.48 CC(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200000210301 [0,2,0,0,0,0|1,0,0]=3 6412 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [0,2,0,0,0,0|1,0,0]=3 6413 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [0,2,0,0,0,0|1,0,0]=3 6414 B12R1.48 CC(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200000210301 [0,2,0,0,0,0|1,0,0]=3 6415 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [0,2,0,0,0,0|1,0,0]=3 6416 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [0,2,0,0,0,0|1,0,0]=3 6417 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [0,2,0,0,0,0|1,0,0]=3 6418 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000690002_200025704644 [0,2,0,0,0,0|1,0,0]=3 6419 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000690002 [0,2,0,0,0,0|1,0,0]=3 6420 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [0,2,0,0,0,0|1,0,0]=3 6421 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [0,2,0,0,0,0|1,0,0]=3 6422 B12R1.48 CC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100009816534_200025704644 [0,2,0,0,0,0|1,0,0]=3 6423 B12R1.48 CC(=O)c1cnc(c(c1)C)S[13CH3] 62a_100009864263_200025704644 [0,2,0,0,0,0|1,0,0]=3 6424 B12R1.48 CC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009864263 [0,2,0,0,0,0|1,0,0]=3 6425 B12R1.48 CCc1ccc(cc1Br)C(=O)C 1458a_100012340589_200000210301 [0,2,0,0,0,0|1,0,0]=3 6426 B12R1.48 CCc1ccc(cc1Br)C(=O)[13CH3] 1458a_100012340589_200025704644 [0,2,0,0,0,0|1,0,0]=3 6427 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [0,2,0,0,0,0|1,0,0]=3 6428 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [0,2,0,0,0,0|1,0,0]=3 6429 B12R1.48 CNc1ccc(cc1Br)C(=O)N 27a_100102657272_100009814583 [0,2,0,0,0,0|2,0,0]=4 6430 B12R1.48 CNc1ccc(cc1C)C(=O)N 27a_100102657272_100011218126 [0,2,0,0,0,0|1,0,0]=3 6431 B12R1.48 CNc1ccc(cc1C)C(=O)N 34a_100000746439_200000210301 [0,2,0,0,0,0|1,0,0]=3 6432 B12R1.48 CNc1ccc(cc1C)C(=O)N 7a_100000746439_200000210301 [0,2,0,0,0,0|1,0,0]=3 6433 B12R1.48 CNc1ccc(cc1C)N(C)C 34a_100000246174_200000210301 [0,2,0,0,0,0|2,0,0]=4 6434 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_200000210301 [0,2,0,0,0,0|2,0,0]=4 6435 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_200000210301 [0,2,0,0,0,0|2,0,0]=4 6436 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_200000210301 [0,2,0,0,0,0|2,0,0]=4 6437 B12R1.48 CNc1ccc(cc1F)C(=O)N 27a_100102657272_100000686215 [0,2,0,0,0,0|2,0,0]=4 6438 B12R1.48 CNc1ncc(cc1C)C(=O)C 27a_100102657272_100009864263 [0,2,0,0,0,0|1,0,0]=3 6439 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [0,2,0,0,0,0|1,0,0]=3 6440 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [0,2,0,0,0,0|1,0,0]=3 6441 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [0,2,0,0,0,0|1,0,0]=3 6442 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [0,2,0,0,0,0|1,0,0]=3 6443 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [0,2,0,0,0,0|0,0,0]=2 6444 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [0,2,0,0,0,0|0,0,0]=2 6445 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [0,2,0,0,0,0|0,0,0]=2 6446 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [0,2,0,0,0,0|0,0,0]=2 6447 B12R1.48 COc1ccc(cc1C)C(C)C 34a_200012180908_200000210301 [0,2,0,0,0,0|1,0,1]=4 6448 B12R1.48 COc1ccc(cc1C)C(C)C 7a_200012180908_200000210301 [0,2,0,0,0,0|1,0,1]=4 6449 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_200000210301 [0,2,0,0,0,0|2,0,0]=4 6450 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_200000210301 [0,2,0,0,0,0|2,0,0]=4 6451 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [0,2,0,0,0,0|1,0,0]=3 6452 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [0,2,0,0,0,0|1,0,0]=3 6453 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [0,2,0,0,0,0|1,0,0]=3 6454 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [0,2,0,0,0,0|2,0,0]=4 6455 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [0,2,0,0,0,0|2,0,0]=4 6456 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [0,2,0,0,0,0|1,0,0]=3 6457 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [0,2,0,0,0,0|1,0,0]=3 6458 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [0,2,0,0,0,0|1,0,0]=3 6459 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [0,2,0,0,0,0|1,0,0]=3 6460 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [0,2,0,0,0,0|1,0,0]=3 6461 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [0,2,0,0,0,0|1,0,0]=3 6462 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [0,2,0,0,0,0|1,0,0]=3 6463 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [0,2,0,0,0,0|1,0,0]=3 6464 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [0,2,0,0,0,0|1,0,0]=3 6465 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [0,2,0,0,0,0|1,0,0]=3 6466 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [0,2,0,0,0,0|1,0,0]=3 6467 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [0,2,0,0,0,0|1,0,0]=3 6468 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_100010146554_200000210301 [0,2,0,0,0,0|1,0,0]=3 6469 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_200000210301_100010146554 [0,2,0,0,0,0|1,0,0]=3 6470 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_100009814583_200000210301 [0,2,0,0,0,0|2,0,0]=4 6471 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_200000210301_100009814583 [0,2,0,0,0,0|2,0,0]=4 6472 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_100000697869_200000210301 [0,2,0,0,0,0|0,0,0]=2 6473 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_200000210301_100000697869 [0,2,0,0,0,0|0,0,0]=2 6474 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_100011218126_200000210301 [0,2,0,0,0,0|1,0,0]=3 6475 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_200000210301_100011218126 [0,2,0,0,0,0|1,0,0]=3 6476 B12R1.48 CSc1ccc(cc1C)N(C)C 62a_100011934168_200000210301 [0,2,0,0,0,0|2,0,0]=4 6477 B12R1.48 CSc1ccc(cc1C)N(C)C 62a_200000210301_100011934168 [0,2,0,0,0,0|2,0,0]=4 6478 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_100000690002_200000210301 [0,2,0,0,0,0|1,0,0]=3 6479 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_200000210301_100000690002 [0,2,0,0,0,0|1,0,0]=3 6480 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_100000686215_200000210301 [0,2,0,0,0,0|2,0,0]=4 6481 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_200000210301_100000686215 [0,2,0,0,0,0|2,0,0]=4 6482 B12R1.48 CSc1ccc(cc1N)C(=O)C 62a_100009816534_200000210301 [0,2,0,0,0,0|1,0,0]=3 6483 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [0,2,0,0,0,0|2,0,0]=4 6484 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [0,2,0,0,0,0|2,0,0]=4 6485 B12R1.48 CSc1cnc(cc1C)C(=O)C 62a_100011011822_200000210301 [0,2,0,0,0,0|1,0,0]=3 6486 B12R1.48 CSc1cnc(cc1C)C(=O)C 62a_200000210301_100011011822 [0,2,0,0,0,0|1,0,0]=3 6487 B12R1.48 CSc1ncc(cc1C)C(=O)C 62a_100009864263_200000210301 [0,2,0,0,0,0|1,0,0]=3 6488 B12R1.48 CSc1ncc(cc1C)C(=O)C 62a_200000210301_100009864263 [0,2,0,0,0,0|1,0,0]=3 6489 B12R1.48 Cc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100012180287_200025704644 [0,2,0,0,0,0|0,0,0]=2 6490 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 34a_100000746439_200025704644 [0,2,0,0,0,0|1,0,0]=3 6491 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 7a_100000746439_200025704644 [0,2,0,0,0,0|1,0,0]=3 6492 B12R1.48 Cc1cc(ccc1N[13CH3])N(C)C 34a_100000246174_200025704644 [0,2,0,0,0,0|2,0,0]=4 6493 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 2230a_100000184110_200025704644 [0,2,0,0,0,0|2,0,0]=4 6494 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 34a_100000184110_200025704644 [0,2,0,0,0,0|2,0,0]=4 6495 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 7a_100000184110_200025704644 [0,2,0,0,0,0|2,0,0]=4 6496 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 34a_200012180908_200025704644 [0,2,0,0,0,0|1,0,1]=4 6497 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 7a_200012180908_200025704644 [0,2,0,0,0,0|1,0,1]=4 6498 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000744956_200025704644 [0,2,0,0,0,0|2,0,0]=4 6499 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000744956_200025704644 [0,2,0,0,0,0|2,0,0]=4 6500 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_100011218126_200025704644 [0,2,0,0,0,0|1,0,0]=3 6501 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_200025704644_100011218126 [0,2,0,0,0,0|1,0,0]=3 6502 B12R1.48 Cc1cc(ccc1S[13CH3])N(C)C 62a_100011934168_200025704644 [0,2,0,0,0,0|2,0,0]=4 6503 B12R1.48 Cc1cc(ccc1S[13CH3])N(C)C 62a_200025704644_100011934168 [0,2,0,0,0,0|2,0,0]=4 6504 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200025704644 [0,2,0,0,0,0|1,0,0]=3 6505 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200025704644 [0,2,0,0,0,0|1,0,0]=3 6506 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200025704644 [0,2,0,0,0,0|1,0,0]=3 6507 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [0,2,0,0,0,0|1,0,0]=3 6508 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [0,2,0,0,0,0|2,0,0]=4 6509 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [0,2,0,0,0,0|2,0,0]=4 6510 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_100009814583_200025704644 [0,2,0,0,0,0|2,0,0]=4 6511 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_200025704644_100009814583 [0,2,0,0,0,0|2,0,0]=4 6512 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_100000686215_200025704644 [0,2,0,0,0,0|2,0,0]=4 6513 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_200025704644_100000686215 [0,2,0,0,0,0|2,0,0]=4 6514 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [0,2,0,0,0,0|2,0,0]=4 6515 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [0,2,0,0,0,0|2,0,0]=4 6516 B12R1.56 C#Cc1cc(ccc1C)C(=O)C 1458a_200012278110_200000210301 [0,2,0,0,0,0|0,0,1]=3 6517 B12R1.56 C#Cc1cc(ccc1C)C(=O)[13CH3] 1458a_200012278110_200025704644 [0,2,0,0,0,0|0,0,1]=3 6518 B12R1.56 C=C(C)c1c[nH]c(=O)c(c1)OC 271570a_100000694244_100010125397 [0,2,0,0,0,0|2,0,0]=4 6519 B12R1.56 C=C(C)c1cc(c(cn1)C)OC 271570a_100000694244_100010067687 [0,2,0,0,0,0|2,0,0]=4 6520 B12R1.56 C=C(C)c1cc(c(cn1)F)CO 271570a_100000694244_100000081974 [0,2,0,0,0,0|2,0,0]=4 6521 B12R1.56 C=C(C)c1cc(c(cn1)F)OC 271570a_100000694244_200010136270 [0,2,0,0,0,0|2,0,0]=4 6522 B12R1.56 C=C(C)c1cc(c(cn1)N)OC 271570a_100000694244_100009887741 [0,2,0,0,0,0|2,0,0]=4 6523 B12R1.56 C=C(C)c1ccc(=O)n(c1)CC 271570a_100000694244_100000231005 [0,2,0,0,0,0|2,0,0]=4 6524 B12R1.56 C=C(C)c1ccc(c(c1)C#N)Br 271570a_100000694244_100012355174 [0,2,0,0,0,0|1,0,1]=4 6525 B12R1.56 C=C(C)c1ccc(c(c1)C#N)C 271570a_100000694244_100000698047 [0,2,0,0,0,0|1,0,1]=4 6526 B12R1.56 C=C(C)c1ccc(c(c1)C#N)Cl 271570a_100000694244_100011356831 [0,2,0,0,0,0|1,0,1]=4 6527 B12R1.56 C=C(C)c1ccc(c(c1)C#N)F 271570a_100000694244_100000037165 [0,2,0,0,0,0|1,0,1]=4 6528 B12R1.56 C=C(C)c1ccc(c(c1)C#N)N 271570a_100000694244_100000688460 [0,2,0,0,0,0|1,0,1]=4 6529 B12R1.56 C=C(C)c1ccc(c(c1)C#N)O 271570a_100000694244_100000687585 [0,2,0,0,0,0|1,0,1]=4 6530 B12R1.56 C=C(C)c1ccc(c(c1)C=O)Br 271570a_100000694244_100010185652 [0,2,0,0,0,0|1,0,1]=4 6531 B12R1.56 C=C(C)c1ccc(c(c1)C=O)C 271570a_100000694244_100011361606 [0,2,0,0,0,0|1,0,1]=4 6532 B12R1.56 C=C(C)c1ccc(c(c1)C=O)Cl 271570a_100000694244_100010254384 [0,2,0,0,0,0|1,0,1]=4 6533 B12R1.56 C=C(C)c1ccc(c(c1)C=O)F 271570a_100000694244_100000211465 [0,2,0,0,0,0|1,0,1]=4 6534 B12R1.56 C=C(C)c1ccc(c(c1)C=O)N 271570a_100000694244_100011935258 [0,2,0,0,0,0|1,0,1]=4 6535 B12R1.56 C=C(C)c1ccc(c(c1)C=O)O 271570a_100000694244_100000186750 [0,2,0,0,0,0|1,0,1]=4 6536 B12R1.56 C=C(C)c1ccc(c(c1)CC)Br 271570a_100000694244_100010244631 [0,2,0,0,0,0|1,0,0]=3 6537 B12R1.56 C=C(C)c1ccc(c(c1)CC)F 271570a_100000694244_100010244625 [0,2,0,0,0,0|1,0,0]=3 6538 B12R1.56 C=C(C)c1ccc(c(c1)CC)N 271570a_100000694244_100000686106 [0,2,0,0,0,0|1,0,0]=3 6539 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [0,2,0,0,0,0|1,0,0]=3 6540 B12R1.56 C=C(C)c1ccc(c(c1)CN)F 271570a_100000694244_100009815772 [0,2,0,0,0,0|1,0,0]=3 6541 B12R1.56 C=C(C)c1ccc(c(c1)CN)N 271570a_100000694244_100012349119 [0,2,0,0,0,0|1,0,0]=3 6542 B12R1.56 C=C(C)c1ccc(c(c1)CN)O 271570a_100000694244_100000730032 [0,2,0,0,0,0|1,0,0]=3 6543 B12R1.56 C=C(C)c1ccc(c(c1)CO)Br 271570a_100000694244_100012359683 [0,2,0,0,0,0|1,0,0]=3 6544 B12R1.56 C=C(C)c1ccc(c(c1)CO)C 271570a_100000694244_100000700630 [0,2,0,0,0,0|1,0,0]=3 6545 B12R1.56 C=C(C)c1ccc(c(c1)CO)Cl 271570a_100000694244_100010128486 [0,2,0,0,0,0|1,0,0]=3 6546 B12R1.56 C=C(C)c1ccc(c(c1)CO)F 271570a_100000694244_100000049604 [0,2,0,0,0,0|1,0,0]=3 6547 B12R1.56 C=C(C)c1ccc(c(c1)CO)N 271570a_100000694244_100012353972 [0,2,0,0,0,0|1,0,0]=3 6548 B12R1.56 C=C(C)c1ccc(c(c1)CO)O 271570a_100000694244_100000184703 [0,2,0,0,0,0|1,0,0]=3 6549 B12R1.56 C=C(C)c1ccc(c(c1)NC)C 271570a_100000694244_100020629602 [0,2,0,0,0,0|1,0,0]=3 6550 B12R1.56 C=C(C)c1ccc(c(c1)NC)F 271570a_100000694244_100011314990 [0,2,0,0,0,0|1,0,0]=3 6551 B12R1.56 C=C(C)c1ccc(c(c1)NC)N 271570a_100000694244_100000694363 [0,2,0,0,0,0|1,0,0]=3 6552 B12R1.56 C=C(C)c1ccc(c(c1)NN)F 271570a_100000694244_100020610843 [0,2,0,0,0,0|2,0,0]=4 6553 B12R1.56 C=C(C)c1ccc(c(c1)OC)Br 271570a_100000694244_100012353699 [0,2,0,0,0,0|1,0,0]=3 6554 B12R1.56 C=C(C)c1ccc(c(c1)OC)C 271570a_100000694244_100011830276 [0,2,0,0,0,0|1,0,0]=3 6555 B12R1.56 C=C(C)c1ccc(c(c1)OC)Cl 271570a_100000694244_100011356853 [0,2,0,0,0,0|1,0,0]=3 6556 B12R1.56 C=C(C)c1ccc(c(c1)OC)F 271570a_100000694244_100011934186 [0,2,0,0,0,0|1,0,0]=3 6557 B12R1.56 C=C(C)c1ccc(c(c1)OC)N 271570a_100000694244_100011279103 [0,2,0,0,0,0|1,0,0]=3 6558 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [0,2,0,0,0,0|1,0,0]=3 6559 B12R1.56 C=C(C)c1ccc(c(c1)SC)F 271570a_100000694244_100010341305 [0,2,0,0,0,0|1,0,0]=3 6560 B12R1.56 C=C(C)c1ccc(c(n1)CC)N 271570a_100000694244_100009871203 [0,2,0,0,0,0|2,0,0]=4 6561 B12R1.56 C=C(C)c1ccc(c(n1)CN)F 271570a_100000694244_100009887702 [0,2,0,0,0,0|2,0,0]=4 6562 B12R1.56 C=C(C)c1ccc(c(n1)OC)N 271570a_100000694244_100000687816 [0,2,0,0,0,0|2,0,0]=4 6563 B12R1.56 C=C(C)c1ccc(c(n1)OC)O 271570a_100000694244_100010893133 [0,2,0,0,0,0|2,0,0]=4 6564 B12R1.56 C=C(C)c1cnc(c(c1)CO)C 271570a_100000694244_100010894652 [0,2,0,0,0,0|2,0,0]=4 6565 B12R1.56 C=C(C)c1cnc(c(c1)CO)F 271570a_100000694244_100010202234 [0,2,0,0,0,0|2,0,0]=4 6566 B12R1.56 C=C(C)c1cnc(c(c1)CO)N 271570a_100000694244_100011934449 [0,2,0,0,0,0|2,0,0]=4 6567 B12R1.56 C=C(C)c1cnc(c(c1)CO)O 271570a_100000694244_100010065268 [0,2,0,0,0,0|2,0,0]=4 6568 B12R1.56 C=C(C)c1cnc(c(c1)NC)N 271570a_100000694244_100010506235 [0,2,0,0,0,0|2,0,0]=4 6569 B12R1.56 C=C(C)c1cnc(c(c1)OC)C 271570a_100000694244_100010254219 [0,2,0,0,0,0|2,0,0]=4 6570 B12R1.56 C=C(C)c1cnc(c(c1)OC)F 271570a_100000694244_100010214931 [0,2,0,0,0,0|2,0,0]=4 6571 B12R1.56 C=C(C)c1cnc(c(c1)OC)N 271570a_100000694244_106354213024 [0,2,0,0,0,0|2,0,0]=4 6572 B12R1.56 C=Cc1cc(ccc1Br)C(=O)C 271570a_100011290941_100010146556 [0,2,0,0,0,0|0,0,1]=3 6573 B12R1.56 C=Cc1cc(ccc1C)C(=O)C 271570a_100011290941_100011934287 [0,2,0,0,0,0|0,0,1]=3 6574 B12R1.56 C=Cc1cc(ccc1C)C(=O)N 271570a_100011290941_100000186401 [0,2,0,0,0,0|1,0,1]=4 6575 B12R1.56 C=Cc1cc(ccc1F)C(=O)C 271570a_100011290941_100000239719 [0,2,0,0,0,0|0,0,1]=3 6576 B12R1.56 C=Cc1cc(ccc1F)C(=O)N 271570a_100011290941_100011202321 [0,2,0,0,0,0|1,0,1]=4 6577 B12R1.56 C=Cc1cc(ccc1N)C(=O)C 271570a_100011290941_100012029215 [0,2,0,0,0,0|0,0,1]=3 6578 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [0,2,0,0,0,0|0,0,1]=3 6579 B12R1.56 C=Cc1cc(cnc1F)C(=O)C 271570a_100011290941_200010135287 [0,2,0,0,0,0|1,0,1]=4 6580 B12R1.56 CC(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_200000210301 [0,2,0,0,0,0|0,0,1]=3 6581 B12R1.56 CC(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_200000210301 [0,2,0,0,0,0|0,0,1]=3 6582 B12R1.56 CC(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_200000210301 [0,2,0,0,0,0|0,0,1]=3 6583 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200000210301 [0,2,0,0,0,0|0,0,1]=3 6584 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010125495 [0,2,0,0,0,0|0,0,1]=3 6585 B12R1.56 CC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200000210301 [0,2,0,0,0,0|0,0,0]=2 6586 B12R1.56 CC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200000210301 [0,2,0,0,0,0|0,0,0]=2 6587 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [0,2,0,0,0,0|0,0,0]=2 6588 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [0,2,0,0,0,0|0,0,0]=2 6589 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [0,2,0,0,0,0|0,0,0]=2 6590 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [0,2,0,0,0,0|0,0,0]=2 6591 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100010146556_200025704644 [0,2,0,0,0,0|0,0,0]=2 6592 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100010146556 [0,2,0,0,0,0|0,0,0]=2 6593 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_100011934287_200025704644 [0,2,0,0,0,0|0,0,0]=2 6594 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100011934287 [0,2,0,0,0,0|0,0,0]=2 6595 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000239719_200025704644 [0,2,0,0,0,0|0,0,0]=2 6596 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000239719 [0,2,0,0,0,0|0,0,0]=2 6597 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])N 62a_100012029215_200025704644 [0,2,0,0,0,0|0,0,0]=2 6598 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,2,0,0,0,0|0,0,0]=2 6599 B12R1.56 CC(=O)c1cnc(c(c1)S[13CH3])F 62a_200010135287_200025704644 [0,2,0,0,0,0|1,0,0]=3 6600 B12R1.56 CC(=O)c1cnc(c(c1)S[13CH3])F 62a_200025704644_200010135287 [0,2,0,0,0,0|1,0,0]=3 6601 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 34a_200000187366_200025704644 [0,2,0,0,0,0|1,0,1]=4 6602 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 7a_200000187366_200025704644 [0,2,0,0,0,0|1,0,1]=4 6603 B12R1.56 CC(C)c1ccc(c(c1)S[13CH3])N 62a_100011218581_200025704644 [0,2,0,0,0,0|1,0,1]=4 6604 B12R1.56 CC(C)c1ccc(c(c1)S[13CH3])N 62a_200025704644_100011218581 [0,2,0,0,0,0|1,0,1]=4 6605 B12R1.56 CC(O)c1ccc(c(c1)S[13CH3])F 62a_100011191524_200025704644 [0,2,0,0,0,0|0,0,2]=4 6606 B12R1.56 CC(O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100011191524 [0,2,0,0,0,0|0,0,2]=4 6607 B12R1.56 CCc1cc(ccc1Br)C(=O)C 1458a_100010152358_200000210301 [0,2,0,0,0,0|0,0,0]=2 6608 B12R1.56 CCc1cc(ccc1Br)C(=O)[13CH3] 1458a_100010152358_200025704644 [0,2,0,0,0,0|0,0,0]=2 6609 B12R1.56 CCc1cc(ccc1Cl)C(=O)C 1458a_100000102533_200000210301 [0,2,0,0,0,0|0,0,0]=2 6610 B12R1.56 CCc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000102533_200025704644 [0,2,0,0,0,0|0,0,0]=2 6611 B12R1.56 CCc1cc(ccc1F)C(=O)C 1458a_100009883079_200000210301 [0,2,0,0,0,0|0,0,0]=2 6612 B12R1.56 CCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009883079_200025704644 [0,2,0,0,0,0|0,0,0]=2 6613 B12R1.56 CN(C)c1ccc(c(c1)S[13CH3])N 62a_200013039233_200025704644 [0,2,0,0,0,0|2,0,0]=4 6614 B12R1.56 CN(C)c1ccc(c(c1)S[13CH3])N 62a_200025704644_200013039233 [0,2,0,0,0,0|2,0,0]=4 6615 B12R1.56 CNc1cc(ccc1C)C(=O)N 34a_100000188646_200000210301 [0,2,0,0,0,0|1,0,0]=3 6616 B12R1.56 CNc1cc(ccc1C)C(=O)N 7a_100000188646_200000210301 [0,2,0,0,0,0|1,0,0]=3 6617 B12R1.56 CNc1cc(ccc1C)C(C)C 2230a_100011216979_200000210301 [0,2,0,0,0,0|1,0,1]=4 6618 B12R1.56 CNc1cc(ccc1C)C(C)C 34a_100011216979_200000210301 [0,2,0,0,0,0|1,0,1]=4 6619 B12R1.56 CNc1cc(ccc1C)C(C)C 7a_100011216979_200000210301 [0,2,0,0,0,0|1,0,1]=4 6620 B12R1.56 CNc1cc(ccc1C)N(C)C 34a_100015186894_200000210301 [0,2,0,0,0,0|2,0,0]=4 6621 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 34a_100000184112_200000210301 [0,2,0,0,0,0|2,0,0]=4 6622 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 7a_100000184112_200000210301 [0,2,0,0,0,0|2,0,0]=4 6623 B12R1.56 CNc1cc(ccc1Cl)C(=O)N 34a_100000736751_200000210301 [0,2,0,0,0,0|1,0,0]=3 6624 B12R1.56 CNc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200000210301 [0,2,0,0,0,0|2,0,0]=4 6625 B12R1.56 CNc1cc(ccc1F)C(=O)N 34a_100000740466_200000210301 [0,2,0,0,0,0|1,0,0]=3 6626 B12R1.56 CNc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200000210301 [0,2,0,0,0,0|2,0,0]=4 6627 B12R1.56 CNc1cc(ccc1O)C(C)C 34a_200000187366_200000210301 [0,2,0,0,0,0|1,0,1]=4 6628 B12R1.56 CNc1cc(ccc1O)C(C)C 7a_200000187366_200000210301 [0,2,0,0,0,0|1,0,1]=4 6629 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [0,2,0,0,0,0|2,0,0]=4 6630 B12R1.56 CNc1cc(cnc1F)C(=O)C 27a_100102657272_200010135287 [0,2,0,0,0,0|1,0,0]=3 6631 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [0,2,0,0,0,0|0,0,0]=2 6632 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [0,2,0,0,0,0|1,0,0]=3 6633 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [0,2,0,0,0,0|1,0,0]=3 6634 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [0,2,0,0,0,0|0,0,0]=2 6635 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [0,2,0,0,0,0|2,0,0]=4 6636 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [0,2,0,0,0,0|2,0,0]=4 6637 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [0,2,0,0,0,0|0,0,0]=2 6638 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [0,2,0,0,0,0|0,0,0]=2 6639 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [0,2,0,0,0,0|0,0,0]=2 6640 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [0,2,0,0,0,0|0,0,0]=2 6641 B12R1.56 COc1cc(ccc1C)C(C)C 34a_100000212073_200000210301 [0,2,0,0,0,0|1,0,1]=4 6642 B12R1.56 COc1cc(ccc1C)C(C)C 7a_100000212073_200000210301 [0,2,0,0,0,0|1,0,1]=4 6643 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [0,2,0,0,0,0|2,0,0]=4 6644 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [0,2,0,0,0,0|2,0,0]=4 6645 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [0,2,0,0,0,0|0,0,0]=2 6646 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [0,2,0,0,0,0|0,0,0]=2 6647 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [0,2,0,0,0,0|2,0,0]=4 6648 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [0,2,0,0,0,0|2,0,0]=4 6649 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [0,2,0,0,0,0|0,0,0]=2 6650 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [0,2,0,0,0,0|0,0,0]=2 6651 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [0,2,0,0,0,0|0,0,0]=2 6652 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [0,2,0,0,0,0|0,0,0]=2 6653 B12R1.56 COc1cc(ccc1F)N(C)C 2230a_200012002703_200000210301 [0,2,0,0,0,0|2,0,0]=4 6654 B12R1.56 COc1cc(ccc1F)N(C)C 269982a_200012002703_200000210301 [0,2,0,0,0,0|2,0,0]=4 6655 B12R1.56 COc1cc(ccc1F)N(C)C 34a_200012002703_200000210301 [0,2,0,0,0,0|2,0,0]=4 6656 B12R1.56 COc1cc(ccc1F)N(C)C 38a_200012002703_200000210301 [0,2,0,0,0,0|2,0,0]=4 6657 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 2230a_200012002703_200025704644 [0,2,0,0,0,0|2,0,0]=4 6658 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 269982a_200012002703_200025704644 [0,2,0,0,0,0|2,0,0]=4 6659 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 34a_200012002703_200025704644 [0,2,0,0,0,0|2,0,0]=4 6660 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 38a_200012002703_200025704644 [0,2,0,0,0,0|2,0,0]=4 6661 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [0,2,0,0,0,0|2,0,0]=4 6662 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [0,2,0,0,0,0|2,0,0]=4 6663 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [0,2,0,0,0,0|0,0,0]=2 6664 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [0,2,0,0,0,0|0,0,0]=2 6665 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [0,2,0,0,0,0|2,0,0]=4 6666 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [0,2,0,0,0,0|2,0,0]=4 6667 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [0,2,0,0,0,0|1,0,0]=3 6668 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [0,2,0,0,0,0|1,0,0]=3 6669 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [0,2,0,0,0,0|2,0,0]=4 6670 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [0,2,0,0,0,0|2,0,0]=4 6671 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,2,0,0,0,0|0,0,0]=2 6672 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,2,0,0,0,0|0,0,0]=2 6673 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [0,2,0,0,0,0|1,0,0]=3 6674 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,2,0,0,0,0|0,0,0]=2 6675 B12R1.56 COc1cc(ccc1O)C(C)C 271570a_203496583355_100021623167 [0,2,0,0,0,0|1,0,1]=4 6676 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_100010146556_200000210301 [0,2,0,0,0,0|0,0,0]=2 6677 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_200000210301_100010146556 [0,2,0,0,0,0|0,0,0]=2 6678 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_100011934287_200000210301 [0,2,0,0,0,0|0,0,0]=2 6679 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_200000210301_100011934287 [0,2,0,0,0,0|0,0,0]=2 6680 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_100000186401_200000210301 [0,2,0,0,0,0|1,0,0]=3 6681 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_200000210301_100000186401 [0,2,0,0,0,0|1,0,0]=3 6682 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_100000239719_200000210301 [0,2,0,0,0,0|0,0,0]=2 6683 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_200000210301_100000239719 [0,2,0,0,0,0|0,0,0]=2 6684 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_100011202321_200000210301 [0,2,0,0,0,0|1,0,0]=3 6685 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_200000210301_100011202321 [0,2,0,0,0,0|1,0,0]=3 6686 B12R1.56 CSc1cc(ccc1F)C(C)O 62a_100011191524_200000210301 [0,2,0,0,0,0|0,0,2]=4 6687 B12R1.56 CSc1cc(ccc1F)C(C)O 62a_200000210301_100011191524 [0,2,0,0,0,0|0,0,2]=4 6688 B12R1.56 CSc1cc(ccc1F)[C@H](C)N 62a_100000753309_200000210301 [0,2,0,0,0,0|1,0,1]=4 6689 B12R1.56 CSc1cc(ccc1F)[C@H](C)N 62a_200000210301_100000753309 [0,2,0,0,0,0|1,0,1]=4 6690 B12R1.56 CSc1cc(ccc1N)C(=O)C 62a_100012029215_200000210301 [0,2,0,0,0,0|0,0,0]=2 6691 B12R1.56 CSc1cc(ccc1N)C(C)C 62a_100011218581_200000210301 [0,2,0,0,0,0|1,0,1]=4 6692 B12R1.56 CSc1cc(ccc1N)C(C)C 62a_200000210301_100011218581 [0,2,0,0,0,0|1,0,1]=4 6693 B12R1.56 CSc1cc(ccc1N)N(C)C 62a_200000210301_200013039233 [0,2,0,0,0,0|2,0,0]=4 6694 B12R1.56 CSc1cc(ccc1N)N(C)C 62a_200013039233_200000210301 [0,2,0,0,0,0|2,0,0]=4 6695 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,2,0,0,0,0|0,0,0]=2 6696 B12R1.56 CSc1cc(cnc1F)C(=O)C 62a_200000210301_200010135287 [0,2,0,0,0,0|1,0,0]=3 6697 B12R1.56 CSc1cc(cnc1F)C(=O)C 62a_200010135287_200000210301 [0,2,0,0,0,0|1,0,0]=3 6698 B12R1.56 C[C@H](N)c1ccc(c(c1)S[13CH3])F 62a_100000753309_200025704644 [0,2,0,0,0,0|1,0,1]=4 6699 B12R1.56 C[C@H](N)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000753309 [0,2,0,0,0,0|1,0,1]=4 6700 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 34a_100000188646_200025704644 [0,2,0,0,0,0|1,0,0]=3 6701 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 7a_100000188646_200025704644 [0,2,0,0,0,0|1,0,0]=3 6702 B12R1.56 Cc1ccc(cc1N[13CH3])C(C)C 2230a_100011216979_200025704644 [0,2,0,0,0,0|1,0,1]=4 6703 B12R1.56 Cc1ccc(cc1N[13CH3])C(C)C 34a_100011216979_200025704644 [0,2,0,0,0,0|1,0,1]=4 6704 B12R1.56 Cc1ccc(cc1N[13CH3])C(C)C 7a_100011216979_200025704644 [0,2,0,0,0,0|1,0,1]=4 6705 B12R1.56 Cc1ccc(cc1N[13CH3])N(C)C 34a_100015186894_200025704644 [0,2,0,0,0,0|2,0,0]=4 6706 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000184112_200025704644 [0,2,0,0,0,0|2,0,0]=4 6707 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 7a_100000184112_200025704644 [0,2,0,0,0,0|2,0,0]=4 6708 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 34a_100000212073_200025704644 [0,2,0,0,0,0|1,0,1]=4 6709 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 7a_100000212073_200025704644 [0,2,0,0,0,0|1,0,1]=4 6710 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [0,2,0,0,0,0|2,0,0]=4 6711 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [0,2,0,0,0,0|2,0,0]=4 6712 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_100000186401_200025704644 [0,2,0,0,0,0|1,0,0]=3 6713 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_200025704644_100000186401 [0,2,0,0,0,0|1,0,0]=3 6714 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_200025704644 [0,2,0,0,0,0|0,0,1]=3 6715 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_200025704644 [0,2,0,0,0,0|0,0,1]=3 6716 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_200025704644 [0,2,0,0,0,0|0,0,1]=3 6717 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200025704644 [0,2,0,0,0,0|0,0,1]=3 6718 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200025704644 [0,2,0,0,0,0|0,0,0]=2 6719 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200025704644 [0,2,0,0,0,0|0,0,0]=2 6720 B12R1.56 [13CH3]Nc1cc(ccc1Cl)C(=O)N 34a_100000736751_200025704644 [0,2,0,0,0,0|1,0,0]=3 6721 B12R1.56 [13CH3]Nc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200025704644 [0,2,0,0,0,0|2,0,0]=4 6722 B12R1.56 [13CH3]Nc1cc(ccc1F)C(=O)N 34a_100000740466_200025704644 [0,2,0,0,0,0|1,0,0]=3 6723 B12R1.56 [13CH3]Nc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200025704644 [0,2,0,0,0,0|2,0,0]=4 6724 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [0,2,0,0,0,0|2,0,0]=4 6725 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [0,2,0,0,0,0|1,0,0]=3 6726 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [0,2,0,0,0,0|1,0,0]=3 6727 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [0,2,0,0,0,0|2,0,0]=4 6728 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [0,2,0,0,0,0|2,0,0]=4 6729 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [0,2,0,0,0,0|2,0,0]=4 6730 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [0,2,0,0,0,0|2,0,0]=4 6731 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [0,2,0,0,0,0|2,0,0]=4 6732 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [0,2,0,0,0,0|2,0,0]=4 6733 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [0,2,0,0,0,0|2,0,0]=4 6734 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [0,2,0,0,0,0|2,0,0]=4 6735 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [0,2,0,0,0,0|1,0,0]=3 6736 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [0,2,0,0,0,0|1,0,0]=3 6737 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [0,2,0,0,0,0|2,0,0]=4 6738 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [0,2,0,0,0,0|2,0,0]=4 6739 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_100011202321_200025704644 [0,2,0,0,0,0|1,0,0]=3 6740 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_200025704644_100011202321 [0,2,0,0,0,0|1,0,0]=3 6741 B12R1.232 C=C(C)c1cc(c([nH]c1=O)C)C 271570a_100000694244_100010064231 [0,2,0,0,0,0|2,0,0]=4 6742 B12R1.232 C=C(C)c1cc(c(cc1Br)Br)Br 271570a_100000694244_100010151546 [0,2,0,0,0,0|2,0,0]=4 6743 B12R1.232 C=C(C)c1cc(c(cc1Br)Br)F 271570a_100000694244_200010212206 [0,2,0,0,0,0|2,0,0]=4 6744 B12R1.232 C=C(C)c1cc(c(cc1Br)C)Br 271570a_100000694244_100012929169 [0,2,0,0,0,0|2,0,0]=4 6745 B12R1.232 C=C(C)c1cc(c(cc1Br)C)F 271570a_100000694244_200009814774 [0,2,0,0,0,0|2,0,0]=4 6746 B12R1.232 C=C(C)c1cc(c(cc1Br)Cl)F 271570a_100000694244_100010254745 [0,2,0,0,0,0|2,0,0]=4 6747 B12R1.232 C=C(C)c1cc(c(cc1Br)Cl)O 271570a_100000694244_100021297947 [0,2,0,0,0,0|2,0,0]=4 6748 B12R1.232 C=C(C)c1cc(c(cc1Br)F)C 271570a_100000694244_200009814773 [0,2,0,0,0,0|1,0,0]=3 6749 B12R1.232 C=C(C)c1cc(c(cc1Br)F)F 271570a_100000694244_100010259568 [0,2,0,0,0,0|2,0,0]=4 6750 B12R1.232 C=C(C)c1cc(c(cc1C)Br)C 271570a_100000694244_100011356911 [0,2,0,0,0,0|1,0,0]=3 6751 B12R1.232 C=C(C)c1cc(c(cc1C)Br)Cl 271570a_100000694244_200009814780 [0,2,0,0,0,0|2,0,0]=4 6752 B12R1.232 C=C(C)c1cc(c(cc1C)Br)F 271570a_100000694244_100011356895 [0,2,0,0,0,0|2,0,0]=4 6753 B12R1.232 C=C(C)c1cc(c(cc1C)C)C 271570a_100000694244_100000759388 [0,2,0,0,0,0|1,0,0]=3 6754 B12R1.232 C=C(C)c1cc(c(cc1C)C)N 271570a_100000694244_100000703630 [0,2,0,0,0,0|2,0,0]=4 6755 B12R1.232 C=C(C)c1cc(c(cc1C)Cl)C 271570a_100000694244_100012357408 [0,2,0,0,0,0|1,0,0]=3 6756 B12R1.232 C=C(C)c1cc(c(cc1C)F)Br 271570a_100000694244_100011216669 [0,2,0,0,0,0|2,0,0]=4 6757 B12R1.232 C=C(C)c1cc(c(cc1C)F)C 271570a_100000694244_100010212296 [0,2,0,0,0,0|1,0,0]=3 6758 B12R1.232 C=C(C)c1cc(c(cc1C)F)F 271570a_100000694244_100009815990 [0,2,0,0,0,0|2,0,0]=4 6759 B12R1.232 C=C(C)c1cc(c(cc1C)F)N 271570a_100000694244_100011014115 [0,2,0,0,0,0|2,0,0]=4 6760 B12R1.232 C=C(C)c1cc(c(cc1C)F)O 271570a_100000694244_100010068922 [0,2,0,0,0,0|2,0,0]=4 6761 B12R1.232 C=C(C)c1cc(c(cc1C)N)C 271570a_100000694244_100011934712 [0,2,0,0,0,0|1,0,0]=3 6762 B12R1.232 C=C(C)c1cc(c(cc1C)N)F 271570a_100000694244_100000691575 [0,2,0,0,0,0|2,0,0]=4 6763 B12R1.232 C=C(C)c1cc(c(cc1C)N)N 271570a_100000694244_100010080480 [0,2,0,0,0,0|2,0,0]=4 6764 B12R1.232 C=C(C)c1cc(c(cc1C)N)O 271570a_100000694244_200010107346 [0,2,0,0,0,0|2,0,0]=4 6765 B12R1.232 C=C(C)c1cc(c(cc1C)O)C 271570a_100000694244_100000698207 [0,2,0,0,0,0|1,0,0]=3 6766 B12R1.232 C=C(C)c1cc(c(cc1C)O)F 271570a_100000694244_100012355673 [0,2,0,0,0,0|2,0,0]=4 6767 B12R1.232 C=C(C)c1cc(c(cc1C)O)N 271570a_100000694244_200010235796 [0,2,0,0,0,0|2,0,0]=4 6768 B12R1.232 C=C(C)c1cc(c(cc1Cl)Br)C 271570a_100000694244_100010259621 [0,2,0,0,0,0|1,0,0]=3 6769 B12R1.232 C=C(C)c1cc(c(cc1Cl)Br)Cl 271570a_100000694244_200010244590 [0,2,0,0,0,0|2,0,0]=4 6770 B12R1.232 C=C(C)c1cc(c(cc1Cl)Br)F 271570a_100000694244_100010212230 [0,2,0,0,0,0|2,0,0]=4 6771 B12R1.232 C=C(C)c1cc(c(cc1Cl)Cl)Cl 271570a_100000694244_200011216203 [0,2,0,0,0,0|2,0,0]=4 6772 B12R1.232 C=C(C)c1cc(c(cc1Cl)Cl)N 271570a_100000694244_100016224655 [0,2,0,0,0,0|2,0,0]=4 6773 B12R1.232 C=C(C)c1cc(c(cc1Cl)F)F 271570a_100000694244_100012349977 [0,2,0,0,0,0|2,0,0]=4 6774 B12R1.232 C=C(C)c1cc(c(cc1Cl)O)N 271570a_100000694244_100011011175 [0,2,0,0,0,0|2,0,0]=4 6775 B12R1.232 C=C(C)c1cc(c(cc1F)Br)Br 271570a_100000694244_200010212210 [0,2,0,0,0,0|2,0,0]=4 6776 B12R1.232 C=C(C)c1cc(c(cc1F)Br)C 271570a_100000694244_200009814772 [0,2,0,0,0,0|1,0,0]=3 6777 B12R1.232 C=C(C)c1cc(c(cc1F)Br)F 271570a_100000694244_100011356857 [0,2,0,0,0,0|2,0,0]=4 6778 B12R1.232 C=C(C)c1cc(c(cc1F)C)Br 271570a_100000694244_100011068846 [0,2,0,0,0,0|2,0,0]=4 6779 B12R1.232 C=C(C)c1cc(c(cc1F)C)C 271570a_100000694244_100010197417 [0,2,0,0,0,0|1,0,0]=3 6780 B12R1.232 C=C(C)c1cc(c(cc1F)C)F 271570a_100000694244_100011219510 [0,2,0,0,0,0|2,0,0]=4 6781 B12R1.232 C=C(C)c1cc(c(cc1F)C)N 271570a_100000694244_100000717900 [0,2,0,0,0,0|2,0,0]=4 6782 B12R1.232 C=C(C)c1cc(c(cc1F)C)O 271570a_100000694244_100014242602 [0,2,0,0,0,0|2,0,0]=4 6783 B12R1.232 C=C(C)c1cc(c(cc1F)Cl)F 271570a_100000694244_100010142863 [0,2,0,0,0,0|2,0,0]=4 6784 B12R1.232 C=C(C)c1cc(c(cc1F)Cl)O 271570a_100000694244_100010735246 [0,2,0,0,0,0|2,0,0]=4 6785 B12R1.232 C=C(C)c1cc(c(cc1F)F)Br 271570a_100000694244_100011356914 [0,2,0,0,0,0|2,0,0]=4 6786 B12R1.232 C=C(C)c1cc(c(cc1F)F)C 271570a_100000694244_100000692463 [0,2,0,0,0,0|1,0,0]=3 6787 B12R1.232 C=C(C)c1cc(c(cc1F)F)F 271570a_100000694244_100000686897 [0,2,0,0,0,0|2,0,0]=4 6788 B12R1.232 C=C(C)c1cc(c(cc1F)F)N 271570a_100000694244_100000700208 [0,2,0,0,0,0|2,0,0]=4 6789 B12R1.232 C=C(C)c1cc(c(cc1F)F)O 271570a_100000694244_100012457948 [0,2,0,0,0,0|2,0,0]=4 6790 B12R1.232 C=C(C)c1cc(c(cc1F)N)C 271570a_100000694244_100000695870 [0,2,0,0,0,0|1,0,0]=3 6791 B12R1.232 C=C(C)c1cc(c(cc1F)N)F 271570a_100000694244_100000690247 [0,2,0,0,0,0|2,0,0]=4 6792 B12R1.232 C=C(C)c1cc(c(cc1F)N)N 271570a_100000694244_100000766667 [0,2,0,0,0,0|2,0,0]=4 6793 B12R1.232 C=C(C)c1cc(c(cc1F)N)O 271570a_100000694244_100013038943 [0,2,0,0,0,0|2,0,0]=4 6794 B12R1.232 C=C(C)c1cc(c(cc1F)O)F 271570a_100000694244_100011830439 [0,2,0,0,0,0|2,0,0]=4 6795 B12R1.232 C=C(C)c1cc(c(cc1F)O)N 271570a_100000694244_100012359894 [0,2,0,0,0,0|2,0,0]=4 6796 B12R1.232 C=C(C)c1cc(c(cc1N)Br)C 271570a_100000694244_200015600912 [0,2,0,0,0,0|1,0,0]=3 6797 B12R1.232 C=C(C)c1cc(c(cc1N)Br)F 271570a_100000694244_200021016574 [0,2,0,0,0,0|2,0,0]=4 6798 B12R1.232 C=C(C)c1cc(c(cc1N)C)C 271570a_100000694244_100012337760 [0,2,0,0,0,0|1,0,0]=3 6799 B12R1.232 C=C(C)c1cc(c(cc1N)C)F 271570a_100000694244_100010233353 [0,2,0,0,0,0|2,0,0]=4 6800 B12R1.232 C=C(C)c1cc(c(cc1N)Cl)Cl 271570a_100000694244_200011093942 [0,2,0,0,0,0|2,0,0]=4 6801 B12R1.232 C=C(C)c1cc(c(cc1N)Cl)F 271570a_100000694244_200010992381 [0,2,0,0,0,0|2,0,0]=4 6802 B12R1.232 C=C(C)c1cc(c(cc1N)F)Br 271570a_100000694244_100010888672 [0,2,0,0,0,0|2,0,0]=4 6803 B12R1.232 C=C(C)c1cc(c(cc1N)F)C 271570a_100000694244_100011218008 [0,2,0,0,0,0|1,0,0]=3 6804 B12R1.232 C=C(C)c1cc(c(cc1N)F)Cl 271570a_100000694244_100010892166 [0,2,0,0,0,0|2,0,0]=4 6805 B12R1.232 C=C(C)c1cc(c(cc1N)F)F 271570a_100000694244_100000765032 [0,2,0,0,0,0|2,0,0]=4 6806 B12R1.232 C=C(C)c1cc(c(cc1N)N)C 271570a_100000694244_200013038441 [0,2,0,0,0,0|1,0,0]=3 6807 B12R1.232 C=C(C)c1cc(c(cc1N)N)F 271570a_100000694244_200010115645 [0,2,0,0,0,0|2,0,0]=4 6808 B12R1.232 C=C(C)c1cc(c(cc1O)C)C 271570a_100000694244_100009814663 [0,2,0,0,0,0|1,0,0]=3 6809 B12R1.232 C=C(C)c1cc(c(cc1O)F)F 271570a_100000694244_100009813768 [0,2,0,0,0,0|2,0,0]=4 6810 B12R1.232 C=C(C)c1cc(c(nc1N)C)C 271570a_100000694244_100009990238 [0,2,0,0,0,0|2,0,0]=4 6811 B12R1.232 CC(=O)c1cc(c(cc1Br)C)F 1458a_200012355688_200000210301 [0,2,0,0,0,0|1,0,0]=3 6812 B12R1.232 CC(=O)c1cc(c(cc1Br)F)C 1458a_100010204433_200000210301 [0,2,0,0,0,0|0,0,0]=2 6813 B12R1.232 CC(=O)c1cc(c(cc1Br)F)Cl 1458a_100012921620_200000210301 [0,2,0,0,0,0|1,0,0]=3 6814 B12R1.232 CC(=O)c1cc(c(cc1Br)F)F 1458a_100000685074_200000210301 [0,2,0,0,0,0|1,0,0]=3 6815 B12R1.232 CC(=O)c1cc(c(cc1C)Br)C 1458a_100000695896_200000210301 [0,2,0,0,0,0|0,0,0]=2 6816 B12R1.232 CC(=O)c1cc(c(cc1C)Br)F 1458a_100012344525_200000210301 [0,2,0,0,0,0|1,0,0]=3 6817 B12R1.232 CC(=O)c1cc(c(cc1C)C)Br 1458a_100012920494_200000210301 [0,2,0,0,0,0|1,0,0]=3 6818 B12R1.232 CC(=O)c1cc(c(cc1C)C)C 1458a_100011216168_200000210301 [0,2,0,0,0,0|0,0,0]=2 6819 B12R1.232 CC(=O)c1cc(c(cc1C)C)I 1458a_100000723791_200000210301 [0,2,0,0,0,0|1,0,0]=3 6820 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)Cl 1458a_100010439669_200000210301 [0,2,0,0,0,0|1,0,0]=3 6821 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)F 1458a_200010768543_200000210301 [0,2,0,0,0,0|1,0,0]=3 6822 B12R1.232 CC(=O)c1cc(c(cc1C)F)Br 1458a_100000724332_200000210301 [0,2,0,0,0,0|1,0,0]=3 6823 B12R1.232 CC(=O)c1cc(c(cc1C)F)F 1458a_100000062099_200000210301 [0,2,0,0,0,0|1,0,0]=3 6824 B12R1.232 CC(=O)c1cc(c(cc1C)F)I 1458a_100013328184_200000210301 [0,2,0,0,0,0|1,0,0]=3 6825 B12R1.232 CC(=O)c1cc(c(cc1Cl)Br)Cl 1458a_100000246132_200000210301 [0,2,0,0,0,0|1,0,0]=3 6826 B12R1.232 CC(=O)c1cc(c(cc1Cl)Br)F 1458a_100000724438_200000210301 [0,2,0,0,0,0|1,0,0]=3 6827 B12R1.232 CC(=O)c1cc(c(cc1Cl)C)Cl 1458a_100013033594_200000210301 [0,2,0,0,0,0|1,0,0]=3 6828 B12R1.232 CC(=O)c1cc(c(cc1Cl)C)F 1458a_100009857485_200000210301 [0,2,0,0,0,0|1,0,0]=3 6829 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_200000210301 [0,2,0,0,0,0|1,0,0]=3 6830 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)F 1458a_100000212284_200000210301 [0,2,0,0,0,0|1,0,0]=3 6831 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)C 1458a_100000687843_200000210301 [0,2,0,0,0,0|0,0,0]=2 6832 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)F 1458a_100025704182_200000210301 [0,2,0,0,0,0|1,0,0]=3 6833 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)I 1458a_100012920486_200000210301 [0,2,0,0,0,0|1,0,0]=3 6834 B12R1.232 CC(=O)c1cc(c(cc1F)Br)Br 1458a_200011217225_200000210301 [0,2,0,0,0,0|1,0,0]=3 6835 B12R1.232 CC(=O)c1cc(c(cc1F)Br)C 1458a_100012354683_200000210301 [0,2,0,0,0,0|0,0,0]=2 6836 B12R1.232 CC(=O)c1cc(c(cc1F)Br)Cl 1458a_100012347732_200000210301 [0,2,0,0,0,0|1,0,0]=3 6837 B12R1.232 CC(=O)c1cc(c(cc1F)Br)F 1458a_100012024349_200000210301 [0,2,0,0,0,0|1,0,0]=3 6838 B12R1.232 CC(=O)c1cc(c(cc1F)C)Br 1458a_100012920545_200000210301 [0,2,0,0,0,0|1,0,0]=3 6839 B12R1.232 CC(=O)c1cc(c(cc1F)C)Cl 1458a_100012180961_200000210301 [0,2,0,0,0,0|1,0,0]=3 6840 B12R1.232 CC(=O)c1cc(c(cc1F)C)F 1458a_100000686409_200000210301 [0,2,0,0,0,0|1,0,0]=3 6841 B12R1.232 CC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_200000210301 [0,2,0,0,0,0|1,0,0]=3 6842 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)Br 1458a_100011217226_200000210301 [0,2,0,0,0,0|1,0,0]=3 6843 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_200000210301 [0,2,0,0,0,0|1,0,0]=3 6844 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)F 1458a_100000690020_200000210301 [0,2,0,0,0,0|1,0,0]=3 6845 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)I 1458a_100012920488_200000210301 [0,2,0,0,0,0|1,0,0]=3 6846 B12R1.232 CC(=O)c1cc(c(cc1F)F)Br 1458a_100000718434_200000210301 [0,2,0,0,0,0|1,0,0]=3 6847 B12R1.232 CC(=O)c1cc(c(cc1F)F)C 1458a_100000767126_200000210301 [0,2,0,0,0,0|0,0,0]=2 6848 B12R1.232 CC(=O)c1cc(c(cc1F)F)Cl 1458a_100011997751_200000210301 [0,2,0,0,0,0|1,0,0]=3 6849 B12R1.232 CC(=O)c1cc(c(cc1F)F)F 1458a_100000687535_200000210301 [0,2,0,0,0,0|1,0,0]=3 6850 B12R1.232 CC(=O)c1cc(c(cc1F)F)I 1458a_100000691139_200000210301 [0,2,0,0,0,0|1,0,0]=3 6851 B12R1.232 CC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100009817148 [0,2,0,0,0,0|1,0,0]=3 6852 B12R1.232 CC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200000210301 [0,2,0,0,0,0|1,0,0]=3 6853 B12R1.232 CC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100012024335 [0,2,0,0,0,0|1,0,0]=3 6854 B12R1.232 CC(=O)c1cc(c(cc1I)C)C 1458a_100010184404_200000210301 [0,2,0,0,0,0|0,0,0]=2 6855 B12R1.232 CC(=O)c1cc(c(cc1I)F)F 1458a_100000688017_200000210301 [0,2,0,0,0,0|1,0,0]=3 6856 B12R1.232 CC(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200000210301 [0,2,0,0,0,0|1,0,0]=3 6857 B12R1.232 CC(=O)c1cc(c(cc1O)C)Br 1458a_100010233826_200000210301 [0,2,0,0,0,0|1,0,0]=3 6858 B12R1.232 CC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_200000210301 [0,2,0,0,0,0|0,0,0]=2 6859 B12R1.232 CC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_200010233951 [0,2,0,0,0,0|1,0,0]=3 6860 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200000210301 [0,2,0,0,0,0|1,0,0]=3 6861 B12R1.232 CC(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200000210301 [0,2,0,0,0,0|1,0,0]=3 6862 B12R1.232 CC(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200000210301 [0,2,0,0,0,0|1,0,0]=3 6863 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200000210301 [0,2,0,0,0,0|1,0,0]=3 6864 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100013243444 [0,2,0,0,0,0|1,0,0]=3 6865 B12R1.232 CC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100000691652 [0,2,0,0,0,0|1,0,0]=3 6866 B12R1.232 CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200000210301 [0,2,0,0,0,0|1,0,0]=3 6867 B12R1.232 CC(=O)c1cc(c(cc1O)O)C 271570a_203496583355_100009816031 [0,2,0,0,0,0|0,0,0]=2 6868 B12R1.232 CC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_200010245088 [0,2,0,0,0,0|1,0,0]=3 6869 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100012920494_200025704644 [0,2,0,0,0,0|1,0,0]=3 6870 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])F 1458a_100012920545_200025704644 [0,2,0,0,0,0|1,0,0]=3 6871 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100010233826_200025704644 [0,2,0,0,0,0|1,0,0]=3 6872 B12R1.232 Cc1cc(c(cc1Br)C)C(=O)[13CH3] 1458a_100000695896_200025704644 [0,2,0,0,0,0|0,0,0]=2 6873 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)[13CH3] 1458a_100012354683_200025704644 [0,2,0,0,0,0|0,0,0]=2 6874 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Br)F 1458a_100000724332_200025704644 [0,2,0,0,0,0|1,0,0]=3 6875 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Cl)Cl 1458a_100010439669_200025704644 [0,2,0,0,0,0|1,0,0]=3 6876 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Br 1458a_100012344525_200025704644 [0,2,0,0,0,0|1,0,0]=3 6877 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Cl 1458a_200010768543_200025704644 [0,2,0,0,0,0|1,0,0]=3 6878 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)F 1458a_100000062099_200025704644 [0,2,0,0,0,0|1,0,0]=3 6879 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])I)F 1458a_100013328184_200025704644 [0,2,0,0,0,0|1,0,0]=3 6880 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011216168_200025704644 [0,2,0,0,0,0|0,0,0]=2 6881 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])I 1458a_100010184404_200025704644 [0,2,0,0,0,0|0,0,0]=2 6882 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])O 1458a_100009831561_200025704644 [0,2,0,0,0,0|0,0,0]=2 6883 B12R1.232 Cc1cc(c(cc1Cl)C(=O)[13CH3])Cl 1458a_100013033594_200025704644 [0,2,0,0,0,0|1,0,0]=3 6884 B12R1.232 Cc1cc(c(cc1Cl)C(=O)[13CH3])F 1458a_100012180961_200025704644 [0,2,0,0,0,0|1,0,0]=3 6885 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010204433_200025704644 [0,2,0,0,0,0|0,0,0]=2 6886 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])Br 1458a_200012355688_200025704644 [0,2,0,0,0,0|1,0,0]=3 6887 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])Cl 1458a_100009857485_200025704644 [0,2,0,0,0,0|1,0,0]=3 6888 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])F 1458a_100000686409_200025704644 [0,2,0,0,0,0|1,0,0]=3 6889 B12R1.232 Cc1cc(c(cc1F)Cl)C(=O)[13CH3] 1458a_100000687843_200025704644 [0,2,0,0,0,0|0,0,0]=2 6890 B12R1.232 Cc1cc(c(cc1F)F)C(=O)[13CH3] 1458a_100000767126_200025704644 [0,2,0,0,0,0|0,0,0]=2 6891 B12R1.232 Cc1cc(c(cc1I)C(=O)[13CH3])C 1458a_100000723791_200025704644 [0,2,0,0,0,0|1,0,0]=3 6892 B12R1.232 Cc1cc(c(cc1O)C(=O)[13CH3])F 1458a_100009839767_200025704644 [0,2,0,0,0,0|1,0,0]=3 6893 B12R1.232 NC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100015235948 [0,2,0,0,0,0|2,0,0]=4 6894 B12R1.232 NC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010244962 [0,2,0,0,0,0|2,0,0]=4 6895 B12R1.232 NC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100015444839 [0,2,0,0,0,0|2,0,0]=4 6896 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Br)F)Cl 1458a_100012921620_200025704644 [0,2,0,0,0,0|1,0,0]=3 6897 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Br)F)F 1458a_100000685074_200025704644 [0,2,0,0,0,0|1,0,0]=3 6898 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Br)Cl 1458a_100000246132_200025704644 [0,2,0,0,0,0|1,0,0]=3 6899 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Br)F 1458a_100000724438_200025704644 [0,2,0,0,0,0|1,0,0]=3 6900 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_200025704644 [0,2,0,0,0,0|1,0,0]=3 6901 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Cl)F 1458a_100000212284_200025704644 [0,2,0,0,0,0|1,0,0]=3 6902 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)F)F 1458a_100025704182_200025704644 [0,2,0,0,0,0|1,0,0]=3 6903 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)F)I 1458a_100012920486_200025704644 [0,2,0,0,0,0|1,0,0]=3 6904 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)Br 1458a_200011217225_200025704644 [0,2,0,0,0,0|1,0,0]=3 6905 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)Cl 1458a_100012347732_200025704644 [0,2,0,0,0,0|1,0,0]=3 6906 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)F 1458a_100012024349_200025704644 [0,2,0,0,0,0|1,0,0]=3 6907 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)Br 1458a_100011217226_200025704644 [0,2,0,0,0,0|1,0,0]=3 6908 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_200025704644 [0,2,0,0,0,0|1,0,0]=3 6909 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)F 1458a_100000690020_200025704644 [0,2,0,0,0,0|1,0,0]=3 6910 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)I 1458a_100012920488_200025704644 [0,2,0,0,0,0|1,0,0]=3 6911 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)Br 1458a_100000718434_200025704644 [0,2,0,0,0,0|1,0,0]=3 6912 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)Cl 1458a_100011997751_200025704644 [0,2,0,0,0,0|1,0,0]=3 6913 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)F 1458a_100000687535_200025704644 [0,2,0,0,0,0|1,0,0]=3 6914 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)I 1458a_100000691139_200025704644 [0,2,0,0,0,0|1,0,0]=3 6915 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200025704644 [0,2,0,0,0,0|1,0,0]=3 6916 B12R1.232 [13CH3]C(=O)c1cc(c(cc1I)F)F 1458a_100000688017_200025704644 [0,2,0,0,0,0|1,0,0]=3 6917 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200025704644 [0,2,0,0,0,0|1,0,0]=3 6918 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200025704644 [0,2,0,0,0,0|1,0,0]=3 6919 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200025704644 [0,2,0,0,0,0|1,0,0]=3 6920 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200025704644 [0,2,0,0,0,0|1,0,0]=3 6921 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200025704644 [0,2,0,0,0,0|1,0,0]=3 6922 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200025704644 [0,2,0,0,0,0|1,0,0]=3 6923 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210202 [0,2,0,0,0,0|1,0,0]=3 6924 B12R1.367 CCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210202 [0,2,0,0,0,0|1,0,0]=3 6925 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210202 [0,2,0,0,0,0|1,0,0]=3 6926 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210202 [0,2,0,0,0,0|1,0,0]=3 6927 B12R1.367 CCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210202 [0,2,0,0,0,0|1,0,0]=3 6928 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [0,2,0,0,0,0|1,0,0]=3 6929 B12R1.367 CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210202 [0,2,0,0,0,0|0,0,0]=2 6930 B12R1.367 CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210202 [0,2,0,0,0,0|0,0,0]=2 6931 B12R1.367 CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210202 [0,2,0,0,0,0|0,0,0]=2 6932 B12R1.367 CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210202 [0,2,0,0,0,0|0,0,0]=2 6933 B12R1.367 CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210202 [0,2,0,0,0,0|0,0,0]=2 6934 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [0,2,0,0,0,0|0,0,0]=2 6935 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [0,2,0,0,0,0|0,0,0]=2 6936 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210202 [0,2,0,0,0,0|1,0,0]=3 6937 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210202 [0,2,0,0,0,0|1,0,0]=3 6938 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210202 [0,2,0,0,0,0|1,0,0]=3 6939 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210202 [0,2,0,0,0,0|1,0,0]=3 6940 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210202 [0,2,0,0,0,0|1,0,0]=3 6941 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [0,2,0,0,0,0|1,0,0]=3 6942 B12R1.367 CCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210202 [0,2,0,0,0,0|1,0,0]=3 6943 B12R1.367 CCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210202 [0,2,0,0,0,0|1,0,0]=3 6944 B12R1.367 CCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210202 [0,2,0,0,0,0|1,0,0]=3 6945 B12R1.367 CCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210202 [0,2,0,0,0,0|1,0,0]=3 6946 B12R1.367 CCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210202 [0,2,0,0,0,0|1,0,0]=3 6947 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [0,2,0,0,0,0|1,0,0]=3 6948 B12R1.367 CCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210202 [0,2,0,0,0,0|1,0,0]=3 6949 B12R1.367 CCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210202 [0,2,0,0,0,0|1,0,0]=3 6950 B12R1.367 CCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210202 [0,2,0,0,0,0|1,0,0]=3 6951 B12R1.367 CCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210202 [0,2,0,0,0,0|1,0,0]=3 6952 B12R1.367 CCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210202 [0,2,0,0,0,0|1,0,0]=3 6953 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [0,2,0,0,0,0|1,0,0]=3 6954 B12R1.367 CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210202 [0,2,0,0,0,0|1,0,0]=3 6955 B12R1.367 CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210202 [0,2,0,0,0,0|1,0,0]=3 6956 B12R1.367 CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210202 [0,2,0,0,0,0|1,0,0]=3 6957 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210202 [0,2,0,0,0,0|1,0,0]=3 6958 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011216493 [0,2,0,0,0,0|1,0,0]=3 6959 B12R1.367 CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210202 [0,2,0,0,0,0|1,0,0]=3 6960 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [0,2,0,0,0,0|1,0,0]=3 6961 B12R1.367 CCN(C)c1ccc(c(c1)C)Br 2230a_100015183089_200000210301 [0,2,0,0,0,0|2,0,0]=4 6962 B12R1.367 CCN(C)c1ccc(c(c1)C)Br 2230a_100102888905_100000210202 [0,2,0,0,0,0|2,0,0]=4 6963 B12R1.367 CCN(C)c1ccc(c(c1)C)Br 269982a_100015183089_200000210301 [0,2,0,0,0,0|2,0,0]=4 6964 B12R1.367 CCN(C)c1ccc(c(c1)C)Br 269982a_100102888905_100000204670 [0,2,0,0,0,0|2,0,0]=4 6965 B12R1.367 CCN(C)c1ccc(c(c1)C)Br 34a_100015183089_200000210301 [0,2,0,0,0,0|2,0,0]=4 6966 B12R1.367 CCN(C)c1ccc(c(c1)C)Br 34a_100102888905_100000210202 [0,2,0,0,0,0|2,0,0]=4 6967 B12R1.367 CCN(C)c1ccc(c(c1)C)Br 7a_100015183089_200000210301 [0,2,0,0,0,0|2,0,0]=4 6968 B12R1.367 CCN(C)c1ccc(c(c1)C)C 2230a_106256033975_200000210301 [0,2,0,0,0,0|2,0,0]=4 6969 B12R1.367 CCN(C)c1ccc(c(c1)C)C 269982a_106256033975_200000210301 [0,2,0,0,0,0|2,0,0]=4 6970 B12R1.367 CCN(C)c1ccc(c(c1)C)C 34a_106256033975_200000210301 [0,2,0,0,0,0|2,0,0]=4 6971 B12R1.367 CCN(C)c1ccc(c(c1)C)C 7a_106256033975_200000210301 [0,2,0,0,0,0|2,0,0]=4 6972 B12R1.367 CCN(C)c1ccc(c(c1)C)Cl 2230a_114849113799_100000210202 [0,2,0,0,0,0|2,0,0]=4 6973 B12R1.367 CCN(C)c1ccc(c(c1)C)Cl 269982a_114849113799_100000204670 [0,2,0,0,0,0|2,0,0]=4 6974 B12R1.367 CCN(C)c1ccc(c(c1)C)Cl 34a_114849113799_100000210202 [0,2,0,0,0,0|2,0,0]=4 6975 B12R1.367 CCN(C)c1ccc(c(c1)C)F 2230a_100011756966_100000210202 [0,2,0,0,0,0|2,0,0]=4 6976 B12R1.367 CCN(C)c1ccc(c(c1)C)F 269982a_100011756966_100000204670 [0,2,0,0,0,0|2,0,0]=4 6977 B12R1.367 CCN(C)c1ccc(c(c1)C)F 34a_100011756966_100000210202 [0,2,0,0,0,0|2,0,0]=4 6978 B12R1.367 CCN(C)c1ccc(c(c1)C)F 38a_100011756966_100000204670 [0,2,0,0,0,0|2,0,0]=4 6979 B12R1.367 CCN(C)c1ccc(c(c1)C)F 7a_100011756966_100000210202 [0,2,0,0,0,0|2,0,0]=4 6980 B12R1.367 CCN([13CH3])c1ccc(c(c1)C)Br 2230a_100015183089_200025704644 [0,2,0,0,0,0|2,0,0]=4 6981 B12R1.367 CCN([13CH3])c1ccc(c(c1)C)Br 269982a_100015183089_200025704644 [0,2,0,0,0,0|2,0,0]=4 6982 B12R1.367 CCN([13CH3])c1ccc(c(c1)C)Br 34a_100015183089_200025704644 [0,2,0,0,0,0|2,0,0]=4 6983 B12R1.367 CCN([13CH3])c1ccc(c(c1)C)Br 7a_100015183089_200025704644 [0,2,0,0,0,0|2,0,0]=4 6984 B12R1.367 CCN([13CH3])c1ccc(c(c1)C)C 2230a_106256033975_200025704644 [0,2,0,0,0,0|2,0,0]=4 6985 B12R1.367 CCN([13CH3])c1ccc(c(c1)C)C 269982a_106256033975_200025704644 [0,2,0,0,0,0|2,0,0]=4 6986 B12R1.367 CCN([13CH3])c1ccc(c(c1)C)C 34a_106256033975_200025704644 [0,2,0,0,0,0|2,0,0]=4 6987 B12R1.367 CCN([13CH3])c1ccc(c(c1)C)C 7a_106256033975_200025704644 [0,2,0,0,0,0|2,0,0]=4 6988 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 11a_106832991635_100012339404 [0,2,0,0,0,0|1,0,0]=3 6989 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 1626a_100102657272_100012339404 [0,2,0,0,0,0|1,0,0]=3 6990 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 240690a_100102657272_100012339404 [0,2,0,0,0,0|1,0,0]=3 6991 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 527a_100102657272_100012339404 [0,2,0,0,0,0|1,0,0]=3 6992 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 11a_106832991635_100000186397 [0,2,0,0,0,0|1,0,0]=3 6993 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 1626a_100102657272_100000186397 [0,2,0,0,0,0|1,0,0]=3 6994 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 240690a_100102657272_100000186397 [0,2,0,0,0,0|1,0,0]=3 6995 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 527a_100102657272_100000186397 [0,2,0,0,0,0|1,0,0]=3 6996 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 11a_106832991635_100000691181 [0,2,0,0,0,0|1,0,0]=3 6997 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 1626a_100102657272_100000691181 [0,2,0,0,0,0|1,0,0]=3 6998 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 240690a_100102657272_100000691181 [0,2,0,0,0,0|1,0,0]=3 6999 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 527a_100102657272_100000691181 [0,2,0,0,0,0|1,0,0]=3 7000 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 11a_106832991635_100000760357 [0,2,0,0,0,0|1,0,0]=3 7001 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 1626a_100102657272_100000760357 [0,2,0,0,0,0|1,0,0]=3 7002 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 240690a_100102657272_100000760357 [0,2,0,0,0,0|1,0,0]=3 7003 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 527a_100102657272_100000760357 [0,2,0,0,0,0|1,0,0]=3 7004 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 11a_106832991635_100000739115 [0,2,0,0,0,0|1,0,0]=3 7005 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 1626a_100102657272_100000739115 [0,2,0,0,0,0|1,0,0]=3 7006 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 240690a_100102657272_100000739115 [0,2,0,0,0,0|1,0,0]=3 7007 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 527a_100102657272_100000739115 [0,2,0,0,0,0|1,0,0]=3 7008 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [0,2,0,0,0,0|1,0,0]=3 7009 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 11a_106832991635_100000692631 [0,2,0,0,0,0|0,0,0]=2 7010 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 1626a_100102657272_100000692631 [0,2,0,0,0,0|0,0,0]=2 7011 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 240690a_100102657272_100000692631 [0,2,0,0,0,0|0,0,0]=2 7012 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 527a_100102657272_100000692631 [0,2,0,0,0,0|0,0,0]=2 7013 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 11a_106832991635_100000210898 [0,2,0,0,0,0|0,0,0]=2 7014 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 1626a_100102657272_100000210898 [0,2,0,0,0,0|0,0,0]=2 7015 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 240690a_100102657272_100000210898 [0,2,0,0,0,0|0,0,0]=2 7016 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 527a_100102657272_100000210898 [0,2,0,0,0,0|0,0,0]=2 7017 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 11a_106832991635_100000686306 [0,2,0,0,0,0|0,0,0]=2 7018 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 1626a_100102657272_100000686306 [0,2,0,0,0,0|0,0,0]=2 7019 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 240690a_100102657272_100000686306 [0,2,0,0,0,0|0,0,0]=2 7020 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 527a_100102657272_100000686306 [0,2,0,0,0,0|0,0,0]=2 7021 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 11a_106832991635_100000751819 [0,2,0,0,0,0|0,0,0]=2 7022 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 1626a_100102657272_100000751819 [0,2,0,0,0,0|0,0,0]=2 7023 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 240690a_100102657272_100000751819 [0,2,0,0,0,0|0,0,0]=2 7024 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 527a_100102657272_100000751819 [0,2,0,0,0,0|0,0,0]=2 7025 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 11a_106832991635_100000751300 [0,2,0,0,0,0|0,0,0]=2 7026 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 1626a_100102657272_100000751300 [0,2,0,0,0,0|0,0,0]=2 7027 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 240690a_100102657272_100000751300 [0,2,0,0,0,0|0,0,0]=2 7028 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 527a_100102657272_100000751300 [0,2,0,0,0,0|0,0,0]=2 7029 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [0,2,0,0,0,0|0,0,0]=2 7030 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [0,2,0,0,0,0|0,0,0]=2 7031 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 11a_106832991635_100000687082 [0,2,0,0,0,0|1,0,0]=3 7032 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 1626a_100102657272_100000687082 [0,2,0,0,0,0|1,0,0]=3 7033 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 240690a_100102657272_100000687082 [0,2,0,0,0,0|1,0,0]=3 7034 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 527a_100102657272_100000687082 [0,2,0,0,0,0|1,0,0]=3 7035 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 11a_106832991635_100000751740 [0,2,0,0,0,0|1,0,0]=3 7036 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 1626a_100102657272_100000751740 [0,2,0,0,0,0|1,0,0]=3 7037 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 240690a_100102657272_100000751740 [0,2,0,0,0,0|1,0,0]=3 7038 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 527a_100102657272_100000751740 [0,2,0,0,0,0|1,0,0]=3 7039 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 11a_106832991635_100000210401 [0,2,0,0,0,0|1,0,0]=3 7040 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 1626a_100102657272_100000210401 [0,2,0,0,0,0|1,0,0]=3 7041 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100102657272_100000210401 [0,2,0,0,0,0|1,0,0]=3 7042 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 527a_100102657272_100000210401 [0,2,0,0,0,0|1,0,0]=3 7043 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 11a_106832991635_100000686462 [0,2,0,0,0,0|1,0,0]=3 7044 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 1626a_100102657272_100000686462 [0,2,0,0,0,0|1,0,0]=3 7045 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 240690a_100102657272_100000686462 [0,2,0,0,0,0|1,0,0]=3 7046 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 527a_100102657272_100000686462 [0,2,0,0,0,0|1,0,0]=3 7047 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 11a_106832991635_100000684831 [0,2,0,0,0,0|1,0,0]=3 7048 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 1626a_100102657272_100000684831 [0,2,0,0,0,0|1,0,0]=3 7049 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 240690a_100102657272_100000684831 [0,2,0,0,0,0|1,0,0]=3 7050 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 527a_100102657272_100000684831 [0,2,0,0,0,0|1,0,0]=3 7051 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [0,2,0,0,0,0|1,0,0]=3 7052 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [0,2,0,0,0,0|1,0,0]=3 7053 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 11a_106832991635_100000743946 [0,2,0,0,0,0|1,0,0]=3 7054 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 1626a_100102657272_100000743946 [0,2,0,0,0,0|1,0,0]=3 7055 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 240690a_100102657272_100000743946 [0,2,0,0,0,0|1,0,0]=3 7056 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 527a_100102657272_100000743946 [0,2,0,0,0,0|1,0,0]=3 7057 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 11a_106832991635_100000212313 [0,2,0,0,0,0|1,0,0]=3 7058 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 1626a_100102657272_100000212313 [0,2,0,0,0,0|1,0,0]=3 7059 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 240690a_100102657272_100000212313 [0,2,0,0,0,0|1,0,0]=3 7060 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 527a_100102657272_100000212313 [0,2,0,0,0,0|1,0,0]=3 7061 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 11a_106832991635_100000743183 [0,2,0,0,0,0|1,0,0]=3 7062 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 1626a_100102657272_100000743183 [0,2,0,0,0,0|1,0,0]=3 7063 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 240690a_100102657272_100000743183 [0,2,0,0,0,0|1,0,0]=3 7064 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 527a_100102657272_100000743183 [0,2,0,0,0,0|1,0,0]=3 7065 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 11a_106832991635_100000209822 [0,2,0,0,0,0|1,0,0]=3 7066 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 1626a_100102657272_100000209822 [0,2,0,0,0,0|1,0,0]=3 7067 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 240690a_100102657272_100000209822 [0,2,0,0,0,0|1,0,0]=3 7068 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 527a_100102657272_100000209822 [0,2,0,0,0,0|1,0,0]=3 7069 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 11a_106832991635_100000062624 [0,2,0,0,0,0|1,0,0]=3 7070 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 1626a_100102657272_100000062624 [0,2,0,0,0,0|1,0,0]=3 7071 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 240690a_100102657272_100000062624 [0,2,0,0,0,0|1,0,0]=3 7072 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 527a_100102657272_100000062624 [0,2,0,0,0,0|1,0,0]=3 7073 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [0,2,0,0,0,0|1,0,0]=3 7074 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [0,2,0,0,0,0|1,0,0]=3 7075 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 11a_106832991635_100012343876 [0,2,0,0,0,0|1,0,0]=3 7076 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 1626a_100102657272_100012343876 [0,2,0,0,0,0|1,0,0]=3 7077 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 240690a_100102657272_100012343876 [0,2,0,0,0,0|1,0,0]=3 7078 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 527a_100102657272_100012343876 [0,2,0,0,0,0|1,0,0]=3 7079 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 11a_106832991635_100000751299 [0,2,0,0,0,0|1,0,0]=3 7080 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 1626a_100102657272_100000751299 [0,2,0,0,0,0|1,0,0]=3 7081 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 240690a_100102657272_100000751299 [0,2,0,0,0,0|1,0,0]=3 7082 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 527a_100102657272_100000751299 [0,2,0,0,0,0|1,0,0]=3 7083 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 11a_106832991635_100000739381 [0,2,0,0,0,0|1,0,0]=3 7084 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 1626a_100102657272_100000739381 [0,2,0,0,0,0|1,0,0]=3 7085 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 240690a_100102657272_100000739381 [0,2,0,0,0,0|1,0,0]=3 7086 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 527a_100102657272_100000739381 [0,2,0,0,0,0|1,0,0]=3 7087 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 11a_106832991635_100000688015 [0,2,0,0,0,0|1,0,0]=3 7088 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 1626a_100102657272_100000688015 [0,2,0,0,0,0|1,0,0]=3 7089 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 240690a_100102657272_100000688015 [0,2,0,0,0,0|1,0,0]=3 7090 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 527a_100102657272_100000688015 [0,2,0,0,0,0|1,0,0]=3 7091 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 11a_106832991635_100000725830 [0,2,0,0,0,0|1,0,0]=3 7092 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 1626a_100102657272_100000725830 [0,2,0,0,0,0|1,0,0]=3 7093 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 240690a_100102657272_100000725830 [0,2,0,0,0,0|1,0,0]=3 7094 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 527a_100102657272_100000725830 [0,2,0,0,0,0|1,0,0]=3 7095 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [0,2,0,0,0,0|1,0,0]=3 7096 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [0,2,0,0,0,0|1,0,0]=3 7097 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 240690a_100102657272_100000689001 [0,2,0,0,0,0|1,0,0]=3 7098 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 527a_100102657272_100000689001 [0,2,0,0,0,0|1,0,0]=3 7099 B12R1.367 CNC(=O)c1ccc(c(c1)O)C 240690a_100102657272_100000233767 [0,2,0,0,0,0|1,0,0]=3 7100 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 240690a_100102657272_100011933997 [0,2,0,0,0,0|1,0,0]=3 7101 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 527a_100102657272_100011933997 [0,2,0,0,0,0|1,0,0]=3 7102 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 240690a_100102657272_100000035894 [0,2,0,0,0,0|1,0,0]=3 7103 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359898 [0,2,0,0,0,0|1,0,0]=3 7104 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 527a_100102657272_100000035894 [0,2,0,0,0,0|1,0,0]=3 7105 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 1626a_100102657272_100000239334 [0,2,0,0,0,0|1,0,0]=3 7106 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 240690a_100102657272_100000239334 [0,2,0,0,0,0|1,0,0]=3 7107 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 527a_100102657272_100000239334 [0,2,0,0,0,0|1,0,0]=3 7108 B12R1.367 CNC(C)c1ccc(c(c1)C)Br 269862a_106832991636_100000697869 [0,2,0,0,0,0|1,0,1]=4 7109 B12R1.367 CNC(C)c1ccc(c(c1)C)C 269862a_106832991636_100000210971 [0,2,0,0,0,0|1,0,1]=4 7110 B12R1.367 CNC(C)c1ccc(c(c1)C)Cl 269862a_106832991636_100011216000 [0,2,0,0,0,0|1,0,1]=4 7111 B12R1.367 CNC(C)c1ccc(c(c1)C)F 2230a_100000705826_200000210301 [0,2,0,0,0,0|1,0,1]=4 7112 B12R1.367 CNC(C)c1ccc(c(c1)C)F 269862a_106832991636_100000754758 [0,2,0,0,0,0|1,0,1]=4 7113 B12R1.367 CNC(C)c1ccc(c(c1)C)F 34a_100000705826_200000210301 [0,2,0,0,0,0|1,0,1]=4 7114 B12R1.367 CNC(C)c1ccc(c(c1)C)O 269862a_106832991636_100000188726 [0,2,0,0,0,0|1,0,1]=4 7115 B12R1.367 CN[C@H](C)c1ccc(c(c1)C)C 2230a_100015184928_200000210301 [0,2,0,0,0,0|1,0,1]=4 7116 B12R1.367 CN[C@H](C)c1ccc(c(c1)C)C 34a_100015184928_200000210301 [0,2,0,0,0,0|1,0,1]=4 7117 B12R1.367 COC(=O)c1cc(c(cn1)C)O 271570a_203496583355_100000065005 [0,2,0,0,0,0|2,0,0]=4 7118 B12R1.367 COC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100010080863 [0,2,0,0,0,0|1,0,0]=3 7119 B12R1.367 COC(=O)c1cc(c(cn1)O)N 271570a_203496583355_100016001589 [0,2,0,0,0,0|2,0,0]=4 7120 B12R1.367 COC(=O)c1cc(c(nn1)O)C 271570a_203496583355_100102422153 [0,2,0,0,0,0|2,0,0]=4 7121 B12R1.367 COC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294788 [0,2,0,0,0,0|1,0,0]=3 7122 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [0,2,0,0,0,0|0,0,0]=2 7123 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [0,2,0,0,0,0|1,0,0]=3 7124 B12R1.367 COC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000703229 [0,2,0,0,0,0|1,0,0]=3 7125 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [0,2,0,0,0,0|1,0,0]=3 7126 B12R1.367 COC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100012349818 [0,2,0,0,0,0|1,0,0]=3 7127 B12R1.367 COC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011218856 [0,2,0,0,0,0|1,0,0]=3 7128 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100011294800 [0,2,0,0,0,0|1,0,0]=3 7129 B12R1.367 COC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000722584 [0,2,0,0,0,0|1,0,0]=3 7130 B12R1.367 COC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000187552 [0,2,0,0,0,0|1,0,0]=3 7131 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [0,2,0,0,0,0|1,0,0]=3 7132 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [0,2,0,0,0,0|1,0,0]=3 7133 B12R1.367 COC(=O)c1ccc(c(n1)C)O 271570a_203496583355_100010207261 [0,2,0,0,0,0|1,0,0]=3 7134 B12R1.367 COC(=O)c1ccc(c(n1)F)O 271570a_203496583355_100010189630 [0,2,0,0,0,0|2,0,0]=4 7135 B12R1.367 COC(=O)c1ccc(c(n1)N)O 271570a_203496583355_100010187631 [0,2,0,0,0,0|2,0,0]=4 7136 B12R1.367 COC(=O)c1ccc(c(n1)O)C 271570a_203496583355_100010143800 [0,2,0,0,0,0|2,0,0]=4 7137 B12R1.367 COC(=O)c1ccc(c(n1)O)F 271570a_203496583355_100010189626 [0,2,0,0,0,0|2,0,0]=4 7138 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189637 [0,2,0,0,0,0|2,0,0]=4 7139 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_200009815348 [0,2,0,0,0,0|2,0,0]=4 7140 B12R1.367 COC(=O)c1cnc(c(c1)Br)O 271570a_203496583355_100010114297 [0,2,0,0,0,0|2,0,0]=4 7141 B12R1.367 COC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009862495 [0,2,0,0,0,0|1,0,0]=3 7142 B12R1.367 COC(=O)c1cnc(c(c1)F)O 271570a_203496583355_100010189625 [0,2,0,0,0,0|2,0,0]=4 7143 B12R1.367 COC(=O)c1cnc(c(c1)N)O 271570a_203496583355_100000079130 [0,2,0,0,0,0|2,0,0]=4 7144 B12R1.367 COC(=O)c1cnc(c(c1)O)Cl 271570a_203496583355_100010188758 [0,2,0,0,0,0|2,0,0]=4 7145 B12R1.367 COC(=O)c1cnc(c(c1)O)F 271570a_203496583355_100000117919 [0,2,0,0,0,0|2,0,0]=4 7146 B12R1.367 COC(=O)c1cnc(c(c1)O)N 271570a_203496583355_100009816800 [0,2,0,0,0,0|2,0,0]=4 7147 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010109663 [0,2,0,0,0,0|2,0,0]=4 7148 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010999399 [0,2,0,0,0,0|2,0,0]=4 7149 B12R1.367 COC(=O)c1cnc(c(n1)C)O 271570a_203496583355_100000109192 [0,2,0,0,0,0|2,0,0]=4 7150 B12R1.367 COC(=O)c1coc(=O)c(c1)O 271570a_203496583355_100009812866 [0,2,0,0,0,0|2,0,0]=4 7151 B12R1.367 Cc1cc(ccc1Br)C(=O)CF 1458a_100000692631_100015361967 [0,2,0,0,0,0|0,0,0]=2 7152 B12R1.367 Cc1cc(ccc1Br)N(C)CF 269982a_100102888905_100015361967 [0,2,0,0,0,0|2,0,0]=4 7153 B12R1.367 Cc1cc(ccc1Br)N(C)CF 34a_100102888905_100015361967 [0,2,0,0,0,0|2,0,0]=4 7154 B12R1.367 Cc1cc(ccc1Cl)C(=O)CF 1458a_100000686306_100015361967 [0,2,0,0,0,0|0,0,0]=2 7155 B12R1.367 Cc1cc(ccc1Cl)N(C)CF 269982a_114849113799_100015361967 [0,2,0,0,0,0|2,0,0]=4 7156 B12R1.367 Cc1cc(ccc1Cl)N(C)CF 34a_114849113799_100015361967 [0,2,0,0,0,0|2,0,0]=4 7157 B12R1.367 Cc1cc(ccc1F)C(=O)CF 1458a_100000751819_100015361967 [0,2,0,0,0,0|0,0,0]=2 7158 B12R1.367 Cc1cc(ccc1F)C(C)N[13CH3] 2230a_100000705826_200025704644 [0,2,0,0,0,0|1,0,1]=4 7159 B12R1.367 Cc1cc(ccc1F)C(C)N[13CH3] 34a_100000705826_200025704644 [0,2,0,0,0,0|1,0,1]=4 7160 B12R1.367 Cc1cc(ccc1F)N(C)CF 269982a_100011756966_100015361967 [0,2,0,0,0,0|2,0,0]=4 7161 B12R1.367 Cc1cc(ccc1F)N(C)CF 34a_100011756966_100015361967 [0,2,0,0,0,0|2,0,0]=4 7162 B12R1.367 Cc1cc(ccc1F)N(C)CF 38a_100011756966_100015361967 [0,2,0,0,0,0|2,0,0]=4 7163 B12R1.367 Cc1cc(ccc1F)N(C)CF 7a_100011756966_100015361967 [0,2,0,0,0,0|2,0,0]=4 7164 B12R1.367 Cc1cc(ccc1I)C(=O)CF 1458a_100000751300_100015361967 [0,2,0,0,0,0|0,0,0]=2 7165 B12R1.367 Cc1cc(ccc1O)C(=O)CF 1458a_100000685612_100015361967 [0,2,0,0,0,0|0,0,0]=2 7166 B12R1.367 Cc1cc(ccc1O)C(=O)NN 271570a_203496583355_100012339724 [0,2,0,0,0,0|1,0,0]=3 7167 B12R1.367 Cc1ccc(cc1Br)C(=O)CF 1458a_100000186397_100015361967 [0,2,0,0,0,0|1,0,0]=3 7168 B12R1.367 Cc1ccc(cc1C)C(=O)CF 1458a_100000210898_100015361967 [0,2,0,0,0,0|0,0,0]=2 7169 B12R1.367 Cc1ccc(cc1C)[C@@H](C)N[13CH3] 2230a_100015184928_200025704644 [0,2,0,0,0,0|1,0,1]=4 7170 B12R1.367 Cc1ccc(cc1C)[C@@H](C)N[13CH3] 34a_100015184928_200025704644 [0,2,0,0,0,0|1,0,1]=4 7171 B12R1.367 Cc1ccc(cc1Cl)C(=O)CF 1458a_100000751740_100015361967 [0,2,0,0,0,0|1,0,0]=3 7172 B12R1.367 Cc1ccc(cc1F)C(=O)CF 1458a_100000212313_100015361967 [0,2,0,0,0,0|1,0,0]=3 7173 B12R1.367 Cc1ccc(cc1I)C(=O)CF 1458a_100000751299_100015361967 [0,2,0,0,0,0|1,0,0]=3 7174 B12R1.367 Cc1ccc(cc1O)C(=O)CF 1458a_100000233767_100015361967 [0,2,0,0,0,0|1,0,0]=3 7175 B12R1.367 Cc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000188075 [0,2,0,0,0,0|2,0,0]=4 7176 B12R1.367 NCC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100016989600 [0,2,0,0,0,0|1,0,0]=3 7177 B12R1.367 NNC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100000046573 [0,2,0,0,0,0|2,0,0]=4 7178 B12R1.367 O=C(CF)c1ccc(c(c1)Br)Br 1458a_100012339404_100015361967 [0,2,0,0,0,0|1,0,0]=3 7179 B12R1.367 O=C(CF)c1ccc(c(c1)Br)Cl 1458a_100000691181_100015361967 [0,2,0,0,0,0|1,0,0]=3 7180 B12R1.367 O=C(CF)c1ccc(c(c1)Br)F 1458a_100000760357_100015361967 [0,2,0,0,0,0|1,0,0]=3 7181 B12R1.367 O=C(CF)c1ccc(c(c1)Br)I 1458a_100000739115_100015361967 [0,2,0,0,0,0|1,0,0]=3 7182 B12R1.367 O=C(CF)c1ccc(c(c1)Br)O 1458a_100000189672_100015361967 [0,2,0,0,0,0|1,0,0]=3 7183 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)Br 1458a_100000687082_100015361967 [0,2,0,0,0,0|1,0,0]=3 7184 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100015361967 [0,2,0,0,0,0|1,0,0]=3 7185 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)F 1458a_100000686462_100015361967 [0,2,0,0,0,0|1,0,0]=3 7186 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)I 1458a_100000684831_100015361967 [0,2,0,0,0,0|1,0,0]=3 7187 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)O 1458a_100000212196_100015361967 [0,2,0,0,0,0|1,0,0]=3 7188 B12R1.367 O=C(CF)c1ccc(c(c1)F)Br 1458a_100000743946_100015361967 [0,2,0,0,0,0|1,0,0]=3 7189 B12R1.367 O=C(CF)c1ccc(c(c1)F)Cl 1458a_100000743183_100015361967 [0,2,0,0,0,0|1,0,0]=3 7190 B12R1.367 O=C(CF)c1ccc(c(c1)F)F 1458a_100000209822_100015361967 [0,2,0,0,0,0|1,0,0]=3 7191 B12R1.367 O=C(CF)c1ccc(c(c1)F)I 1458a_100000062624_100015361967 [0,2,0,0,0,0|1,0,0]=3 7192 B12R1.367 O=C(CF)c1ccc(c(c1)F)O 1458a_100000185466_100015361967 [0,2,0,0,0,0|1,0,0]=3 7193 B12R1.367 O=C(CF)c1ccc(c(c1)I)Br 1458a_100012343876_100015361967 [0,2,0,0,0,0|1,0,0]=3 7194 B12R1.367 O=C(CF)c1ccc(c(c1)I)Cl 1458a_100000739381_100015361967 [0,2,0,0,0,0|1,0,0]=3 7195 B12R1.367 O=C(CF)c1ccc(c(c1)I)F 1458a_100000688015_100015361967 [0,2,0,0,0,0|1,0,0]=3 7196 B12R1.367 O=C(CF)c1ccc(c(c1)I)I 1458a_100000725830_100015361967 [0,2,0,0,0,0|1,0,0]=3 7197 B12R1.367 O=C(CF)c1ccc(c(c1)I)O 1458a_100000037485_100015361967 [0,2,0,0,0,0|1,0,0]=3 7198 B12R1.367 O=C(CF)c1ccc(c(c1)O)Br 1458a_100000689001_100015361967 [0,2,0,0,0,0|1,0,0]=3 7199 B12R1.367 O=C(CF)c1ccc(c(c1)O)Cl 1458a_100011933997_100015361967 [0,2,0,0,0,0|1,0,0]=3 7200 B12R1.367 O=C(CF)c1ccc(c(c1)O)F 1458a_100000035894_100015361967 [0,2,0,0,0,0|1,0,0]=3 7201 B12R1.367 O=C(CF)c1ccc(c(c1)O)I 1458a_100000239334_100015361967 [0,2,0,0,0,0|1,0,0]=3 7202 B12R1.367 O=C(CF)c1ccc(c(c1)O)O 1458a_100000212155_100015361967 [0,2,0,0,0,0|1,0,0]=3 7203 B12R1.893 C=C(C)c1cc[n+](c(c1C)C)[O-] 271570a_100000694244_100000083769 [0,2,0,0,0,0|2,0,0]=4 7204 B12R1.893 C=C(C)c1ccc(c(c1C)C)Br 271570a_100000694244_200010185626 [0,2,0,0,0,0|1,0,0]=3 7205 B12R1.893 C=C(C)c1ccc(c(c1C)C)F 271570a_100000694244_100009816033 [0,2,0,0,0,0|1,0,0]=3 7206 B12R1.893 C=C(C)c1ccc(c(c1C)C)N 271570a_100000694244_100009816967 [0,2,0,0,0,0|1,0,0]=3 7207 B12R1.893 C=C(C)c1ccc(c(c1C)C)O 271570a_100000694244_100012353674 [0,2,0,0,0,0|1,0,0]=3 7208 B12R1.893 C=C(C)c1ccc(c(c1C)Cl)Br 271570a_100000694244_200010212245 [0,2,0,0,0,0|2,0,0]=4 7209 B12R1.893 C=C(C)c1ccc(c(c1C)F)Br 271570a_100000694244_100010208201 [0,2,0,0,0,0|2,0,0]=4 7210 B12R1.893 C=C(C)c1ccc(c(c1C)F)F 271570a_100000694244_100009815991 [0,2,0,0,0,0|2,0,0]=4 7211 B12R1.893 C=C(C)c1ccc(c(c1C)F)N 271570a_100000694244_100000722916 [0,2,0,0,0,0|2,0,0]=4 7212 B12R1.893 C=C(C)c1ccc(c(c1C)N)C 271570a_100000694244_200010074581 [0,2,0,0,0,0|2,0,0]=4 7213 B12R1.893 C=C(C)c1ccc(c(c1C)N)F 271570a_100000694244_100010588651 [0,2,0,0,0,0|2,0,0]=4 7214 B12R1.893 C=C(C)c1ccc(c(c1C)N)N 271570a_100000694244_100010009725 [0,2,0,0,0,0|2,0,0]=4 7215 B12R1.893 C=C(C)c1ccc(c(c1C)N)O 271570a_100000694244_100013039247 [0,2,0,0,0,0|2,0,0]=4 7216 B12R1.893 C=C(C)c1ccc(c(c1Cl)C)Br 271570a_100000694244_100055076181 [0,2,0,0,0,0|1,0,0]=3 7217 B12R1.893 C=C(C)c1ccc(c(c1Cl)C)Cl 271570a_100000694244_100010730154 [0,2,0,0,0,0|1,0,0]=3 7218 B12R1.893 C=C(C)c1ccc(c(c1Cl)Cl)Br 271570a_100000694244_200012356690 [0,2,0,0,0,0|2,0,0]=4 7219 B12R1.893 C=C(C)c1ccc(c(c1F)Br)F 271570a_100000694244_100010167943 [0,2,0,0,0,0|2,0,0]=4 7220 B12R1.893 C=C(C)c1ccc(c(c1F)Br)N 271570a_100000694244_100015781493 [0,2,0,0,0,0|2,0,0]=4 7221 B12R1.893 C=C(C)c1ccc(c(c1F)C)C 271570a_100000694244_200015555822 [0,2,0,0,0,0|1,0,0]=3 7222 B12R1.893 C=C(C)c1ccc(c(c1F)C)F 271570a_100000694244_100009815987 [0,2,0,0,0,0|1,0,0]=3 7223 B12R1.893 C=C(C)c1ccc(c(c1F)C)N 271570a_100000694244_100010208198 [0,2,0,0,0,0|1,0,0]=3 7224 B12R1.893 C=C(C)c1ccc(c(c1F)C)O 271570a_100000694244_100010390934 [0,2,0,0,0,0|1,0,0]=3 7225 B12R1.893 C=C(C)c1ccc(c(c1F)Cl)Br 271570a_100000694244_100010212236 [0,2,0,0,0,0|2,0,0]=4 7226 B12R1.893 C=C(C)c1ccc(c(c1F)Cl)F 271570a_100000694244_200000038702 [0,2,0,0,0,0|2,0,0]=4 7227 B12R1.893 C=C(C)c1ccc(c(c1F)F)Br 271570a_100000694244_100010212264 [0,2,0,0,0,0|2,0,0]=4 7228 B12R1.893 C=C(C)c1ccc(c(c1F)F)C 271570a_100000694244_100012766498 [0,2,0,0,0,0|2,0,0]=4 7229 B12R1.893 C=C(C)c1ccc(c(c1F)F)F 271570a_100000694244_100000750562 [0,2,0,0,0,0|2,0,0]=4 7230 B12R1.893 C=C(C)c1ccc(c(c1F)F)N 271570a_100000694244_100010200256 [0,2,0,0,0,0|2,0,0]=4 7231 B12R1.893 C=C(C)c1ccc(c(c1F)F)O 271570a_100000694244_100011830415 [0,2,0,0,0,0|2,0,0]=4 7232 B12R1.893 C=C(C)c1ccc(c(c1F)N)F 271570a_100000694244_100025793129 [0,2,0,0,0,0|2,0,0]=4 7233 B12R1.893 C=C(C)c1ccc(c(c1F)N)N 271570a_100000694244_100009814308 [0,2,0,0,0,0|2,0,0]=4 7234 B12R1.893 C=C(C)c1ccc(c(c1F)O)Br 271570a_100000694244_200010782288 [0,2,0,0,0,0|2,0,0]=4 7235 B12R1.893 C=C(C)c1ccc(c(c1F)O)F 271570a_100000694244_100010167067 [0,2,0,0,0,0|2,0,0]=4 7236 B12R1.893 C=C(C)c1ccc(c(c1N)C)F 271570a_100000694244_100011009917 [0,2,0,0,0,0|1,0,0]=3 7237 B12R1.893 C=C(C)c1ccc(c(c1N)F)F 271570a_100000694244_100010008850 [0,2,0,0,0,0|2,0,0]=4 7238 B12R1.893 C=C(C)c1ccc(c(c1N)N)F 271570a_100000694244_100011102919 [0,2,0,0,0,0|2,0,0]=4 7239 B12R1.893 C=C(C)c1ccc(c(c1N)O)Br 271570a_100000694244_100020748643 [0,2,0,0,0,0|2,0,0]=4 7240 B12R1.893 C=C(C)c1ccc(c(c1O)C)F 271570a_100000694244_200010391124 [0,2,0,0,0,0|1,0,0]=3 7241 B12R1.893 C=C(C)c1ccc(c(c1O)F)C 271570a_100000694244_100000722096 [0,2,0,0,0,0|2,0,0]=4 7242 B12R1.893 C=C(C)c1ccc(c(c1O)F)F 271570a_100000694244_100010243909 [0,2,0,0,0,0|2,0,0]=4 7243 B12R1.893 C=C(C)c1cnc(c(c1C)C)N 271570a_100000694244_100009813837 [0,2,0,0,0,0|2,0,0]=4 7244 B12R1.893 C=C(C)c1cnc(c(c1C)C)O 271570a_100000694244_200011099879 [0,2,0,0,0,0|2,0,0]=4 7245 B12R1.893 CC(=O)c1ccc(c(c1Br)F)F 1458a_100012356454_200000210301 [0,2,0,0,0,0|1,0,0]=3 7246 B12R1.893 CC(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200000210301 [0,2,0,0,0,0|1,0,0]=3 7247 B12R1.893 CC(=O)c1ccc(c(c1C)F)F 1458a_100000061971_200000210301 [0,2,0,0,0,0|1,0,0]=3 7248 B12R1.893 CC(=O)c1ccc(c(c1Cl)Br)Cl 1458a_100010208263_200000210301 [0,2,0,0,0,0|1,0,0]=3 7249 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)Cl 1458a_100010074829_200000210301 [0,2,0,0,0,0|0,0,0]=2 7250 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)F 1458a_100000061447_200000210301 [0,2,0,0,0,0|0,0,0]=2 7251 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Br 1458a_200012347731_200000210301 [0,2,0,0,0,0|1,0,0]=3 7252 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)F 1458a_100010209669_200000210301 [0,2,0,0,0,0|1,0,0]=3 7253 B12R1.893 CC(=O)c1ccc(c(c1Cl)F)Cl 1458a_200010192171_200000210301 [0,2,0,0,0,0|1,0,0]=3 7254 B12R1.893 CC(=O)c1ccc(c(c1Cl)F)F 1458a_100009888510_200000210301 [0,2,0,0,0,0|1,0,0]=3 7255 B12R1.893 CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200000210301 [0,2,0,0,0,0|1,0,0]=3 7256 B12R1.893 CC(=O)c1ccc(c(c1F)Br)Br 1458a_200016032200_200000210301 [0,2,0,0,0,0|1,0,0]=3 7257 B12R1.893 CC(=O)c1ccc(c(c1F)Br)F 1458a_100010204296_200000210301 [0,2,0,0,0,0|1,0,0]=3 7258 B12R1.893 CC(=O)c1ccc(c(c1F)C)Br 1458a_100000722919_200000210301 [0,2,0,0,0,0|0,0,0]=2 7259 B12R1.893 CC(=O)c1ccc(c(c1F)C)C 1458a_100010768504_200000210301 [0,2,0,0,0,0|0,0,0]=2 7260 B12R1.893 CC(=O)c1ccc(c(c1F)C)Cl 1458a_100012183103_200000210301 [0,2,0,0,0,0|0,0,0]=2 7261 B12R1.893 CC(=O)c1ccc(c(c1F)C)F 1458a_100000067293_200000210301 [0,2,0,0,0,0|0,0,0]=2 7262 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)Br 1458a_100000719840_200000210301 [0,2,0,0,0,0|1,0,0]=3 7263 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)C 1458a_100000722910_200000210301 [0,2,0,0,0,0|1,0,0]=3 7264 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)F 1458a_100000034381_200000210301 [0,2,0,0,0,0|1,0,0]=3 7265 B12R1.893 CC(=O)c1ccc(c(c1F)F)Br 1458a_100009816880_200000210301 [0,2,0,0,0,0|1,0,0]=3 7266 B12R1.893 CC(=O)c1ccc(c(c1F)F)C 1458a_100011219789_200000210301 [0,2,0,0,0,0|1,0,0]=3 7267 B12R1.893 CC(=O)c1ccc(c(c1F)F)Cl 1458a_100000085317_200000210301 [0,2,0,0,0,0|1,0,0]=3 7268 B12R1.893 CC(=O)c1ccc(c(c1F)F)F 1458a_100000766628_200000210301 [0,2,0,0,0,0|1,0,0]=3 7269 B12R1.893 CC(=O)c1ccc(c(c1F)F)I 1458a_100010177778_200000210301 [0,2,0,0,0,0|1,0,0]=3 7270 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200000210301 [0,2,0,0,0,0|1,0,0]=3 7271 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010174444 [0,2,0,0,0,0|1,0,0]=3 7272 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200000210301 [0,2,0,0,0,0|1,0,0]=3 7273 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100010179980 [0,2,0,0,0,0|1,0,0]=3 7274 B12R1.893 CC(=O)c1ccc(c(c1I)C)C 1458a_100010188221_200000210301 [0,2,0,0,0,0|0,0,0]=2 7275 B12R1.893 CC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_200000210301 [0,2,0,0,0,0|0,0,0]=2 7276 B12R1.893 CC(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_200000210301 [0,2,0,0,0,0|1,0,0]=3 7277 B12R1.893 CC(=O)c1ccc(c(c1O)F)F 1458a_100011799213_200000210301 [0,2,0,0,0,0|1,0,0]=3 7278 B12R1.893 CC(=O)c1ccc(c(c1O)F)F 271570a_203496583355_200013857550 [0,2,0,0,0,0|1,0,0]=3 7279 B12R1.893 CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200000210301 [0,2,0,0,0,0|1,0,0]=3 7280 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])Cl 1458a_100010074829_200025704644 [0,2,0,0,0,0|0,0,0]=2 7281 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])F 1458a_100000061447_200025704644 [0,2,0,0,0,0|0,0,0]=2 7282 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100000722919_200025704644 [0,2,0,0,0,0|0,0,0]=2 7283 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100012183103_200025704644 [0,2,0,0,0,0|0,0,0]=2 7284 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000067293_200025704644 [0,2,0,0,0,0|0,0,0]=2 7285 B12R1.893 Cc1c(ccc(c1F)F)C(=O)[13CH3] 1458a_100000061971_200025704644 [0,2,0,0,0,0|1,0,0]=3 7286 B12R1.893 Cc1ccc(c(c1C)F)C(=O)[13CH3] 1458a_100010768504_200025704644 [0,2,0,0,0,0|0,0,0]=2 7287 B12R1.893 Cc1ccc(c(c1C)I)C(=O)[13CH3] 1458a_100010188221_200025704644 [0,2,0,0,0,0|0,0,0]=2 7288 B12R1.893 Cc1ccc(c(c1C)O)C(=O)[13CH3] 1458a_100000742916_200025704644 [0,2,0,0,0,0|0,0,0]=2 7289 B12R1.893 Cc1ccc(c(c1Cl)F)C(=O)[13CH3] 1458a_100000722910_200025704644 [0,2,0,0,0,0|1,0,0]=3 7290 B12R1.893 Cc1ccc(c(c1F)F)C(=O)[13CH3] 1458a_100011219789_200025704644 [0,2,0,0,0,0|1,0,0]=3 7291 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)F)F 1458a_100012356454_200025704644 [0,2,0,0,0,0|1,0,0]=3 7292 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200025704644 [0,2,0,0,0,0|1,0,0]=3 7293 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Br)Cl 1458a_100010208263_200025704644 [0,2,0,0,0,0|1,0,0]=3 7294 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Cl)Br 1458a_200012347731_200025704644 [0,2,0,0,0,0|1,0,0]=3 7295 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Cl)F 1458a_100010209669_200025704644 [0,2,0,0,0,0|1,0,0]=3 7296 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)F)Cl 1458a_200010192171_200025704644 [0,2,0,0,0,0|1,0,0]=3 7297 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)F)F 1458a_100009888510_200025704644 [0,2,0,0,0,0|1,0,0]=3 7298 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200025704644 [0,2,0,0,0,0|1,0,0]=3 7299 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Br)Br 1458a_200016032200_200025704644 [0,2,0,0,0,0|1,0,0]=3 7300 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Br)F 1458a_100010204296_200025704644 [0,2,0,0,0,0|1,0,0]=3 7301 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Cl)Br 1458a_100000719840_200025704644 [0,2,0,0,0,0|1,0,0]=3 7302 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Cl)F 1458a_100000034381_200025704644 [0,2,0,0,0,0|1,0,0]=3 7303 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)Br 1458a_100009816880_200025704644 [0,2,0,0,0,0|1,0,0]=3 7304 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)Cl 1458a_100000085317_200025704644 [0,2,0,0,0,0|1,0,0]=3 7305 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)F 1458a_100000766628_200025704644 [0,2,0,0,0,0|1,0,0]=3 7306 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)I 1458a_100010177778_200025704644 [0,2,0,0,0,0|1,0,0]=3 7307 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200025704644 [0,2,0,0,0,0|1,0,0]=3 7308 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200025704644 [0,2,0,0,0,0|1,0,0]=3 7309 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_200025704644 [0,2,0,0,0,0|1,0,0]=3 7310 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)F)F 1458a_100011799213_200025704644 [0,2,0,0,0,0|1,0,0]=3 7311 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200025704644 [0,2,0,0,0,0|1,0,0]=3 7312 B12R1.1005 C=C(C)c1cc(c(=O)n(c1)C)C 271570a_100000694244_100011830242 [0,2,0,0,0,0|2,0,0]=4 7313 B12R1.1005 C=C(C)c1cc(c(=O)n(c1)C)F 271570a_100000694244_100010749421 [0,2,0,0,0,0|2,0,0]=4 7314 B12R1.1005 C=C(C)c1cc(c(=O)n(c1)C)N 271570a_100000694244_106446545582 [0,2,0,0,0,0|2,0,0]=4 7315 B12R1.1005 C=C(C)c1cc(c(c(c1)Br)C)Br 271570a_100000694244_100011099977 [0,2,0,0,0,0|2,0,0]=4 7316 B12R1.1005 C=C(C)c1cc(c(c(c1)Br)O)C 271570a_100000694244_100010982682 [0,2,0,0,0,0|1,0,0]=3 7317 B12R1.1005 C=C(C)c1cc(c(c(c1)C)C)C 271570a_100000694244_200011015895 [0,2,0,0,0,0|1,0,0]=3 7318 B12R1.1005 C=C(C)c1cc(c(c(c1)C)F)C 271570a_100000694244_100009814169 [0,2,0,0,0,0|1,0,0]=3 7319 B12R1.1005 C=C(C)c1cc(c(c(c1)C)N)C 271570a_100000694244_100000737279 [0,2,0,0,0,0|1,0,0]=3 7320 B12R1.1005 C=C(C)c1cc(c(c(c1)C)O)C 271570a_100000694244_100000187306 [0,2,0,0,0,0|1,0,0]=3 7321 B12R1.1005 C=C(C)c1cc(c(c(c1)Cl)Br)Cl 271570a_100000694244_200010212260 [0,2,0,0,0,0|2,0,0]=4 7322 B12R1.1005 C=C(C)c1cc(c(c(c1)Cl)F)Cl 271570a_100000694244_100012357505 [0,2,0,0,0,0|2,0,0]=4 7323 B12R1.1005 C=C(C)c1cc(c(c(c1)Cl)O)C 271570a_100000694244_200015900153 [0,2,0,0,0,0|1,0,0]=3 7324 B12R1.1005 C=C(C)c1cc(c(c(c1)Cl)O)Cl 271570a_100000694244_100012339652 [0,2,0,0,0,0|2,0,0]=4 7325 B12R1.1005 C=C(C)c1cc(c(c(c1)F)C)F 271570a_100000694244_100009814309 [0,2,0,0,0,0|2,0,0]=4 7326 B12R1.1005 C=C(C)c1cc(c(c(c1)F)C)N 271570a_100000694244_100009813729 [0,2,0,0,0,0|2,0,0]=4 7327 B12R1.1005 C=C(C)c1cc(c(c(c1)F)Cl)F 271570a_100000694244_100010154629 [0,2,0,0,0,0|2,0,0]=4 7328 B12R1.1005 C=C(C)c1cc(c(c(c1)F)F)C 271570a_100000694244_200011068660 [0,2,0,0,0,0|1,0,0]=3 7329 B12R1.1005 C=C(C)c1cc(c(c(c1)F)F)F 271570a_100000694244_100011215606 [0,2,0,0,0,0|2,0,0]=4 7330 B12R1.1005 C=C(C)c1cc(c(c(c1)F)F)O 271570a_100000694244_100000709865 [0,2,0,0,0,0|2,0,0]=4 7331 B12R1.1005 C=C(C)c1cc(c(c(c1)F)N)C 271570a_100000694244_100000709789 [0,2,0,0,0,0|1,0,0]=3 7332 B12R1.1005 C=C(C)c1cc(c(c(c1)F)N)F 271570a_100000694244_100000758902 [0,2,0,0,0,0|2,0,0]=4 7333 B12R1.1005 C=C(C)c1cc(c(c(c1)F)N)N 271570a_100000694244_100011218333 [0,2,0,0,0,0|2,0,0]=4 7334 B12R1.1005 C=C(C)c1cc(c(c(c1)F)N)O 271570a_100000694244_100015475841 [0,2,0,0,0,0|2,0,0]=4 7335 B12R1.1005 C=C(C)c1cc(c(c(c1)F)O)F 271570a_100000694244_100011216917 [0,2,0,0,0,0|2,0,0]=4 7336 B12R1.1005 C=C(C)c1cc(c(c(c1)F)O)N 271570a_100000694244_100011217383 [0,2,0,0,0,0|2,0,0]=4 7337 B12R1.1005 C=C(C)c1cc(c(c(c1)N)F)C 271570a_100000694244_100010381932 [0,2,0,0,0,0|1,0,0]=3 7338 B12R1.1005 C=C(C)c1cc(c(c(c1)N)N)C 271570a_100000694244_100000688557 [0,2,0,0,0,0|1,0,0]=3 7339 B12R1.1005 C=C(C)c1cc(c(c(c1)N)O)C 271570a_100000694244_100011825904 [0,2,0,0,0,0|1,0,0]=3 7340 B12R1.1005 C=C(C)c1cc(c(c(c1)O)N)C 271570a_100000694244_100010371313 [0,2,0,0,0,0|1,0,0]=3 7341 B12R1.1005 C=C(C)c1cc(c(c(n1)C)N)C 271570a_100000694244_100009817025 [0,2,0,0,0,0|2,0,0]=4 7342 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)C)Br 1458a_100000187602_200000210301 [0,2,0,0,0,0|1,0,0]=3 7343 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)C)F 1458a_200012347618_200000210301 [0,2,0,0,0,0|1,0,0]=3 7344 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)Cl)Cl 1458a_200012920480_200000210301 [0,2,0,0,0,0|1,0,0]=3 7345 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)Cl)F 1458a_100010291025_200000210301 [0,2,0,0,0,0|1,0,0]=3 7346 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)F)F 1458a_100010259547_200000210301 [0,2,0,0,0,0|1,0,0]=3 7347 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200000210301 [0,2,0,0,0,0|1,0,0]=3 7348 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200000210301 [0,2,0,0,0,0|1,0,0]=3 7349 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Br)C 1458a_100000700660_200000210301 [0,2,0,0,0,0|0,0,0]=2 7350 B12R1.1005 CC(=O)c1cc(c(c(c1)C)C)C 1458a_100000075298_200000210301 [0,2,0,0,0,0|0,0,0]=2 7351 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Cl)C 1458a_100000102532_200000210301 [0,2,0,0,0,0|0,0,0]=2 7352 B12R1.1005 CC(=O)c1cc(c(c(c1)C)F)C 1458a_100000741972_200000210301 [0,2,0,0,0,0|0,0,0]=2 7353 B12R1.1005 CC(=O)c1cc(c(c(c1)C)I)C 1458a_100010769667_200000210301 [0,2,0,0,0,0|0,0,0]=2 7354 B12R1.1005 CC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_200000210301 [0,2,0,0,0,0|0,0,0]=2 7355 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)Br)Cl 1458a_100012354307_200000210301 [0,2,0,0,0,0|1,0,0]=3 7356 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)C)Cl 1458a_100012356007_200000210301 [0,2,0,0,0,0|1,0,0]=3 7357 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)Cl)Cl 1458a_100012339221_200000210301 [0,2,0,0,0,0|1,0,0]=3 7358 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)Cl)F 1458a_200010244527_200000210301 [0,2,0,0,0,0|1,0,0]=3 7359 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)F)Cl 1458a_100011934374_200000210301 [0,2,0,0,0,0|1,0,0]=3 7360 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)F)F 1458a_100000068011_200000210301 [0,2,0,0,0,0|1,0,0]=3 7361 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200000210301 [0,2,0,0,0,0|1,0,0]=3 7362 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200000210301 [0,2,0,0,0,0|1,0,0]=3 7363 B12R1.1005 CC(=O)c1cc(c(c(c1)F)Br)F 1458a_100010078405_200000210301 [0,2,0,0,0,0|1,0,0]=3 7364 B12R1.1005 CC(=O)c1cc(c(c(c1)F)C)F 1458a_100000055762_200000210301 [0,2,0,0,0,0|1,0,0]=3 7365 B12R1.1005 CC(=O)c1cc(c(c(c1)F)Cl)F 1458a_100000104779_200000210301 [0,2,0,0,0,0|1,0,0]=3 7366 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)C 1458a_100000061453_200000210301 [0,2,0,0,0,0|0,0,0]=2 7367 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)F 1458a_100000751656_200000210301 [0,2,0,0,0,0|1,0,0]=3 7368 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_200000210301 [0,2,0,0,0,0|1,0,0]=3 7369 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200000210301 [0,2,0,0,0,0|1,0,0]=3 7370 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 271570a_203496583355_100010371124 [0,2,0,0,0,0|1,0,0]=3 7371 B12R1.1005 CC(=O)c1cc(c(c(c1)I)C)F 1458a_100012344050_200000210301 [0,2,0,0,0,0|1,0,0]=3 7372 B12R1.1005 CC(=O)c1cc(c(c(c1)I)I)I 1458a_100000033816_200000210301 [0,2,0,0,0,0|1,0,0]=3 7373 B12R1.1005 CC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200000210301 [0,2,0,0,0,0|1,0,0]=3 7374 B12R1.1005 CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_200000210301 [0,2,0,0,0,0|1,0,0]=3 7375 B12R1.1005 CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200000210301 [0,2,0,0,0,0|1,0,0]=3 7376 B12R1.1005 CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200000210301 [0,2,0,0,0,0|1,0,0]=3 7377 B12R1.1005 Cc1c(cc(cc1Br)C(=O)[13CH3])Br 1458a_100000187602_200025704644 [0,2,0,0,0,0|1,0,0]=3 7378 B12R1.1005 Cc1c(cc(cc1Br)C(=O)[13CH3])F 1458a_200012347618_200025704644 [0,2,0,0,0,0|1,0,0]=3 7379 B12R1.1005 Cc1c(cc(cc1Cl)C(=O)[13CH3])Cl 1458a_100012356007_200025704644 [0,2,0,0,0,0|1,0,0]=3 7380 B12R1.1005 Cc1c(cc(cc1F)C(=O)[13CH3])F 1458a_100000055762_200025704644 [0,2,0,0,0,0|1,0,0]=3 7381 B12R1.1005 Cc1c(cc(cc1I)C(=O)[13CH3])F 1458a_100012344050_200025704644 [0,2,0,0,0,0|1,0,0]=3 7382 B12R1.1005 Cc1c(cc(cc1O)C(=O)[13CH3])O 1458a_100000031928_200025704644 [0,2,0,0,0,0|1,0,0]=3 7383 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)[13CH3] 1458a_100000700660_200025704644 [0,2,0,0,0,0|0,0,0]=2 7384 B12R1.1005 Cc1cc(cc(c1C)C)C(=O)[13CH3] 1458a_100000075298_200025704644 [0,2,0,0,0,0|0,0,0]=2 7385 B12R1.1005 Cc1cc(cc(c1Cl)C)C(=O)[13CH3] 1458a_100000102532_200025704644 [0,2,0,0,0,0|0,0,0]=2 7386 B12R1.1005 Cc1cc(cc(c1F)C)C(=O)[13CH3] 1458a_100000741972_200025704644 [0,2,0,0,0,0|0,0,0]=2 7387 B12R1.1005 Cc1cc(cc(c1F)F)C(=O)[13CH3] 1458a_100000061453_200025704644 [0,2,0,0,0,0|0,0,0]=2 7388 B12R1.1005 Cc1cc(cc(c1I)C)C(=O)[13CH3] 1458a_100010769667_200025704644 [0,2,0,0,0,0|0,0,0]=2 7389 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)N 271570a_203496583355_200009816865 [0,2,0,0,0,0|1,0,0]=3 7390 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)[13CH3] 1458a_100011219978_200025704644 [0,2,0,0,0,0|0,0,0]=2 7391 B12R1.1005 Cc1cc(cc(c1O)C)N(C)C 271570a_203496583355_100011935182 [0,2,0,0,0,0|2,0,0]=4 7392 B12R1.1005 NC(=O)c1cc(c(c(c1)O)O)O 271570a_203496583355_200009814324 [0,2,0,0,0,0|2,0,0]=4 7393 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)Cl)Cl 1458a_200012920480_200025704644 [0,2,0,0,0,0|1,0,0]=3 7394 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)Cl)F 1458a_100010291025_200025704644 [0,2,0,0,0,0|1,0,0]=3 7395 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)F)F 1458a_100010259547_200025704644 [0,2,0,0,0,0|1,0,0]=3 7396 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200025704644 [0,2,0,0,0,0|1,0,0]=3 7397 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200025704644 [0,2,0,0,0,0|1,0,0]=3 7398 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)Br)Cl 1458a_100012354307_200025704644 [0,2,0,0,0,0|1,0,0]=3 7399 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)Cl)Cl 1458a_100012339221_200025704644 [0,2,0,0,0,0|1,0,0]=3 7400 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)Cl)F 1458a_200010244527_200025704644 [0,2,0,0,0,0|1,0,0]=3 7401 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)F)Cl 1458a_100011934374_200025704644 [0,2,0,0,0,0|1,0,0]=3 7402 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)F)F 1458a_100000068011_200025704644 [0,2,0,0,0,0|1,0,0]=3 7403 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200025704644 [0,2,0,0,0,0|1,0,0]=3 7404 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200025704644 [0,2,0,0,0,0|1,0,0]=3 7405 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)Br)F 1458a_100010078405_200025704644 [0,2,0,0,0,0|1,0,0]=3 7406 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)Cl)F 1458a_100000104779_200025704644 [0,2,0,0,0,0|1,0,0]=3 7407 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)F)F 1458a_100000751656_200025704644 [0,2,0,0,0,0|1,0,0]=3 7408 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_200025704644 [0,2,0,0,0,0|1,0,0]=3 7409 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200025704644 [0,2,0,0,0,0|1,0,0]=3 7410 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)I)I)I 1458a_100000033816_200025704644 [0,2,0,0,0,0|1,0,0]=3 7411 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200025704644 [0,2,0,0,0,0|1,0,0]=3 7412 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200025704644 [0,2,0,0,0,0|1,0,0]=3 7413 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200025704644 [0,2,0,0,0,0|1,0,0]=3 7414 B12R1.10 CCS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100009815775 [0,2,0,0,0,0|2,0,0]=4 7415 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br 270084a_100102657272_100000184224 [0,2,0,0,0,0|2,0,0]=4 7416 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br 274078a_100102657272_100000184224 [0,2,0,0,0,0|2,0,0]=4 7417 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br 40a_100102657272_100010340488 [0,2,0,0,0,0|2,0,0]=4 7418 B12R1.10 CNS(=O)(=O)c1cccc(c1)C 270084a_100102657272_100000182797 [0,2,0,0,0,0|1,0,0]=3 7419 B12R1.10 CNS(=O)(=O)c1cccc(c1)C 274078a_100102657272_100000182797 [0,2,0,0,0,0|1,0,0]=3 7420 B12R1.10 CNS(=O)(=O)c1cccc(c1)C 40a_100102657272_100010983817 [0,2,0,0,0,0|1,0,0]=3 7421 B12R1.10 CNS(=O)(=O)c1cccc(c1)Cl 270084a_100102657272_100000182923 [0,2,0,0,0,0|2,0,0]=4 7422 B12R1.10 CNS(=O)(=O)c1cccc(c1)Cl 274078a_100102657272_100000182923 [0,2,0,0,0,0|2,0,0]=4 7423 B12R1.10 CNS(=O)(=O)c1cccc(c1)F 270084a_100102657272_100000184201 [0,2,0,0,0,0|2,0,0]=4 7424 B12R1.10 CNS(=O)(=O)c1cccc(c1)F 274078a_100102657272_100000184201 [0,2,0,0,0,0|2,0,0]=4 7425 B12R1.10 CNS(=O)(=O)c1cccc(c1)N 40a_100102657272_100000034547 [0,2,0,0,0,0|2,0,0]=4 7426 B12R1.10 CNS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100000165148 [0,2,0,0,0,0|2,0,0]=4 7427 B12R1.13 CCC(NC)c1cccc(c1)C 269862a_106832991636_100000730664 [0,2,0,0,0,0|1,0,1]=4 7428 B12R1.13 CCN(CC)c1cccc(c1)C 2230a_100000182157_100000210202 [0,2,0,0,0,0|2,0,0]=4 7429 B12R1.13 CCN(CC)c1cccc(c1)C 269982a_100000182157_100000204670 [0,2,0,0,0,0|2,0,0]=4 7430 B12R1.13 CCN(CC)c1cccc(c1)C 34a_100000182157_100000210202 [0,2,0,0,0,0|2,0,0]=4 7431 B12R1.13 CCN(CC)c1cccc(c1)C 7a_100000182157_100000210202 [0,2,0,0,0,0|2,0,0]=4 7432 B12R1.13 CCN(CF)c1cccc(c1)C 269982a_100000182157_100015361967 [0,2,0,0,0,0|2,0,0]=4 7433 B12R1.13 CCN(CF)c1cccc(c1)C 34a_100000182157_100015361967 [0,2,0,0,0,0|2,0,0]=4 7434 B12R1.13 CCN(CF)c1cccc(c1)C 7a_100000182157_100015361967 [0,2,0,0,0,0|2,0,0]=4 7435 B12R1.13 CC[C@@H](NC)c1cccc(c1)C 2230a_200016991486_200000210301 [0,2,0,0,0,0|1,0,1]=4 7436 B12R1.13 CC[C@@H](NC)c1cccc(c1)C 34a_200016991486_200000210301 [0,2,0,0,0,0|1,0,1]=4 7437 B12R1.13 CC[C@@H](N[13CH3])c1cccc(c1)C 2230a_200016991486_200025704644 [0,2,0,0,0,0|1,0,1]=4 7438 B12R1.13 CC[C@@H](N[13CH3])c1cccc(c1)C 34a_200016991486_200025704644 [0,2,0,0,0,0|1,0,1]=4 7439 B12R1.13 CN[C@H](CO)c1cccc(c1)C 2230a_100009818812_200000210301 [0,2,0,0,0,0|0,0,2]=4 7440 B12R1.13 CN[C@H](CO)c1cccc(c1)C 34a_100009818812_200000210301 [0,2,0,0,0,0|0,0,2]=4 7441 B12R1.13 Cc1cccc(c1)[C@@H](CO)N[13CH3] 2230a_100009818812_200025704644 [0,2,0,0,0,0|0,0,2]=4 7442 B12R1.13 Cc1cccc(c1)[C@@H](CO)N[13CH3] 34a_100009818812_200025704644 [0,2,0,0,0,0|0,0,2]=4 7443 B12R1.17 C#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000184674 [0,2,0,0,0,0|1,0,0]=3 7444 B12R1.17 C#CCC(=O)c1cccc(c1)C 1458a_100000189346_100000184674 [0,2,0,0,0,0|0,0,0]=2 7445 B12R1.17 C#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000184674 [0,2,0,0,0,0|1,0,0]=3 7446 B12R1.17 C#CCC(=O)c1cccc(c1)F 1458a_100000210950_100000184674 [0,2,0,0,0,0|1,0,0]=3 7447 B12R1.17 C#CCC(=O)c1cccc(c1)I 1458a_100000184098_100000184674 [0,2,0,0,0,0|1,0,0]=3 7448 B12R1.17 C#CCC(=O)c1cccc(c1)O 1458a_100000183914_100000184674 [0,2,0,0,0,0|1,0,0]=3 7449 B12R1.17 C#CCN(C)c1cccc(c1)C 2230a_100000219674_100000038162 [0,2,0,0,0,0|2,0,0]=4 7450 B12R1.17 C#CCN(C)c1cccc(c1)C 34a_100000219674_100000184674 [0,2,0,0,0,0|2,0,0]=4 7451 B12R1.17 C=CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210623 [0,2,0,0,0,0|1,0,0]=3 7452 B12R1.17 C=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210623 [0,2,0,0,0,0|0,0,0]=2 7453 B12R1.17 C=CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210623 [0,2,0,0,0,0|1,0,0]=3 7454 B12R1.17 C=CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210623 [0,2,0,0,0,0|1,0,0]=3 7455 B12R1.17 C=CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210623 [0,2,0,0,0,0|1,0,0]=3 7456 B12R1.17 C=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210623 [0,2,0,0,0,0|1,0,0]=3 7457 B12R1.17 C=CCN(C)c1cccc(c1)C 2230a_100000219674_100000210623 [0,2,0,0,0,0|2,0,0]=4 7458 B12R1.17 C=CCN(C)c1cccc(c1)C 269982a_100000219674_100000210623 [0,2,0,0,0,0|2,0,0]=4 7459 B12R1.17 C=CCN(C)c1cccc(c1)C 34a_100000219674_100015514636 [0,2,0,0,0,0|2,0,0]=4 7460 B12R1.17 CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210303 [0,2,0,0,0,0|1,0,0]=3 7461 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [0,2,0,0,0,0|0,0,0]=2 7462 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210303 [0,2,0,0,0,0|1,0,0]=3 7463 B12R1.17 CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210303 [0,2,0,0,0,0|1,0,0]=3 7464 B12R1.17 CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210303 [0,2,0,0,0,0|1,0,0]=3 7465 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [0,2,0,0,0,0|1,0,0]=3 7466 B12R1.17 CCCN(C)c1cccc(c1)C 2230a_100000219674_100000210303 [0,2,0,0,0,0|2,0,0]=4 7467 B12R1.17 CCCN(C)c1cccc(c1)C 269982a_100000219674_100000210303 [0,2,0,0,0,0|2,0,0]=4 7468 B12R1.17 CCCN(C)c1cccc(c1)C 34a_100000219674_100000210303 [0,2,0,0,0,0|2,0,0]=4 7469 B12R1.17 CCNC(=O)c1cc(ccn1)O 271570a_203496583355_100000194128 [0,2,0,0,0,0|2,0,0]=4 7470 B12R1.17 CCNC(=O)c1cccc(c1)Br 11a_100015525214_100000210664 [0,2,0,0,0,0|1,0,0]=3 7471 B12R1.17 CCNC(=O)c1cccc(c1)Br 240690a_100015525214_100000210664 [0,2,0,0,0,0|1,0,0]=3 7472 B12R1.17 CCNC(=O)c1cccc(c1)Br 527a_100015525214_100000210664 [0,2,0,0,0,0|1,0,0]=3 7473 B12R1.17 CCNC(=O)c1cccc(c1)C 11a_100015525214_100000189346 [0,2,0,0,0,0|0,0,0]=2 7474 B12R1.17 CCNC(=O)c1cccc(c1)C 240690a_100015525214_100000189346 [0,2,0,0,0,0|0,0,0]=2 7475 B12R1.17 CCNC(=O)c1cccc(c1)C 527a_100015525214_100000189346 [0,2,0,0,0,0|0,0,0]=2 7476 B12R1.17 CCNC(=O)c1cccc(c1)Cl 11a_100015525214_100000210390 [0,2,0,0,0,0|1,0,0]=3 7477 B12R1.17 CCNC(=O)c1cccc(c1)Cl 240690a_100015525214_100000210390 [0,2,0,0,0,0|1,0,0]=3 7478 B12R1.17 CCNC(=O)c1cccc(c1)Cl 527a_100015525214_100000210390 [0,2,0,0,0,0|1,0,0]=3 7479 B12R1.17 CCNC(=O)c1cccc(c1)F 11a_100015525214_100000210950 [0,2,0,0,0,0|1,0,0]=3 7480 B12R1.17 CCNC(=O)c1cccc(c1)F 240690a_100015525214_100000210950 [0,2,0,0,0,0|1,0,0]=3 7481 B12R1.17 CCNC(=O)c1cccc(c1)F 527a_100015525214_100000210950 [0,2,0,0,0,0|1,0,0]=3 7482 B12R1.17 CCNC(=O)c1cccc(c1)I 11a_100015525214_100000184098 [0,2,0,0,0,0|1,0,0]=3 7483 B12R1.17 CCNC(=O)c1cccc(c1)I 240690a_100015525214_100000184098 [0,2,0,0,0,0|1,0,0]=3 7484 B12R1.17 CCNC(=O)c1cccc(c1)I 527a_100015525214_100000184098 [0,2,0,0,0,0|1,0,0]=3 7485 B12R1.17 CCNC(=O)c1cccc(c1)O 240690a_100015525214_100000183914 [0,2,0,0,0,0|1,0,0]=3 7486 B12R1.17 CCNC(=O)c1cccc(c1)O 271570a_203496583355_100000155180 [0,2,0,0,0,0|1,0,0]=3 7487 B12R1.17 CCNC(=O)c1cccc(c1)O 527a_100015525214_100000183914 [0,2,0,0,0,0|1,0,0]=3 7488 B12R1.17 CCNC(=O)c1ccnc(c1)O 271570a_203496583355_100000229823 [0,2,0,0,0,0|2,0,0]=4 7489 B12R1.17 CCNC(=O)c1cncc(c1)O 271570a_203496583355_200000155184 [0,2,0,0,0,0|2,0,0]=4 7490 B12R1.17 CCNC(C)c1cccc(c1)C 269862a_100015525214_100000211476 [0,2,0,0,0,0|1,0,1]=4 7491 B12R1.17 CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210202 [0,2,0,0,0,0|1,0,1]=4 7492 B12R1.17 CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210202 [0,2,0,0,0,0|1,0,1]=4 7493 B12R1.17 CCOC(=O)c1cc(ccn1)O 271570a_203496583355_100010210110 [0,2,0,0,0,0|2,0,0]=4 7494 B12R1.17 CCOC(=O)c1cccc(c1)O 271570a_203496583355_100000170211 [0,2,0,0,0,0|1,0,0]=3 7495 B12R1.17 CCOC(=O)c1cccc(n1)O 271570a_203496583355_100000695914 [0,2,0,0,0,0|2,0,0]=4 7496 B12R1.17 CCOC(=O)c1ccnc(c1)O 271570a_203496583355_100011213083 [0,2,0,0,0,0|2,0,0]=4 7497 B12R1.17 CCOC(=O)c1cncc(c1)O 271570a_203496583355_100000170250 [0,2,0,0,0,0|2,0,0]=4 7498 B12R1.17 CCOC(C)c1cccc(c1)C 34a_100000757818_100000210202 [0,2,0,0,0,0|0,0,2]=4 7499 B12R1.17 CCOC(C)c1cccc(c1)C 7a_100000757818_100000210202 [0,2,0,0,0,0|0,0,2]=4 7500 B12R1.17 CN(CC=O)c1cccc(c1)Br 2230a_100000219648_200015260668 [0,2,0,0,0,0|2,0,0]=4 7501 B12R1.17 CN(CC=O)c1cccc(c1)Br 269982a_100000219648_200015260668 [0,2,0,0,0,0|2,0,0]=4 7502 B12R1.17 CN(CC=O)c1cccc(c1)Br 34a_100000219648_200009817547 [0,2,0,0,0,0|2,0,0]=4 7503 B12R1.17 CN(CC=O)c1cccc(c1)Cl 2230a_100000220044_200015260668 [0,2,0,0,0,0|2,0,0]=4 7504 B12R1.17 CN(CC=O)c1cccc(c1)Cl 269982a_100000220044_200015260668 [0,2,0,0,0,0|2,0,0]=4 7505 B12R1.17 CN(CC=O)c1cccc(c1)Cl 34a_100000220044_200009817547 [0,2,0,0,0,0|2,0,0]=4 7506 B12R1.17 CN(CC=O)c1cccc(c1)F 2230a_100020633736_200015260668 [0,2,0,0,0,0|2,0,0]=4 7507 B12R1.17 CN(CC=O)c1cccc(c1)F 269982a_100020633736_200015260668 [0,2,0,0,0,0|2,0,0]=4 7508 B12R1.17 CN(CC=O)c1cccc(c1)F 34a_100020633736_200009817547 [0,2,0,0,0,0|2,0,0]=4 7509 B12R1.17 CN(CC=O)c1cccc(c1)I 2230a_100000221217_200015260668 [0,2,0,0,0,0|2,0,0]=4 7510 B12R1.17 CN(CC=O)c1cccc(c1)I 269982a_100000221217_200015260668 [0,2,0,0,0,0|2,0,0]=4 7511 B12R1.17 CN(CC=O)c1cccc(c1)I 34a_100000221217_200009817547 [0,2,0,0,0,0|2,0,0]=4 7512 B12R1.17 CN(CC=O)c1cccc(c1)O 2230a_100000756613_200015260668 [0,2,0,0,0,0|2,0,0]=4 7513 B12R1.17 CN(CC=O)c1cccc(c1)O 269982a_100000756613_200015260668 [0,2,0,0,0,0|2,0,0]=4 7514 B12R1.17 CN(CC=O)c1cccc(c1)O 34a_100000756613_200009817547 [0,2,0,0,0,0|2,0,0]=4 7515 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [0,2,0,0,0,0|1,0,0]=3 7516 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [0,2,0,0,0,0|1,0,0]=3 7517 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [0,2,0,0,0,0|1,0,0]=3 7518 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [0,2,0,0,0,0|0,0,0]=2 7519 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [0,2,0,0,0,0|0,0,0]=2 7520 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [0,2,0,0,0,0|0,0,0]=2 7521 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [0,2,0,0,0,0|1,0,0]=3 7522 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [0,2,0,0,0,0|1,0,0]=3 7523 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [0,2,0,0,0,0|1,0,0]=3 7524 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [0,2,0,0,0,0|1,0,0]=3 7525 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [0,2,0,0,0,0|1,0,0]=3 7526 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [0,2,0,0,0,0|1,0,0]=3 7527 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [0,2,0,0,0,0|1,0,0]=3 7528 B12R1.17 CNNC(=O)c1cccc(c1)Br 22a_100016993582_100000210664 [0,2,0,0,0,0|1,0,0]=3 7529 B12R1.17 CNNC(=O)c1cccc(c1)C 22a_100016993582_100000189346 [0,2,0,0,0,0|0,0,0]=2 7530 B12R1.17 CNNC(=O)c1cccc(c1)Cl 22a_100016993582_100000210390 [0,2,0,0,0,0|1,0,0]=3 7531 B12R1.17 CNNC(=O)c1cccc(c1)F 22a_100016993582_100000210950 [0,2,0,0,0,0|1,0,0]=3 7532 B12R1.17 CNNC(=O)c1cccc(c1)I 22a_100016993582_100000184098 [0,2,0,0,0,0|1,0,0]=3 7533 B12R1.17 CNNC(=O)c1cccc(c1)O 22a_100016993582_100000183914 [0,2,0,0,0,0|1,0,0]=3 7534 B12R1.17 COCC(=O)c1cccc(c1)Br 34a_100138415774_100000212080 [0,2,0,0,0,0|1,0,0]=3 7535 B12R1.17 COCC(=O)c1cccc(c1)C 34a_100138415774_100000739480 [0,2,0,0,0,0|0,0,0]=2 7536 B12R1.17 COCC(=O)c1cccc(c1)Cl 34a_100138415774_100000211444 [0,2,0,0,0,0|1,0,0]=3 7537 B12R1.17 COCC(=O)c1cccc(c1)Cl 7a_200011592804_200000210301 [0,2,0,0,0,0|1,0,0]=3 7538 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100011592800_200000210301 [0,2,0,0,0,0|1,0,0]=3 7539 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100138415774_100000215616 [0,2,0,0,0,0|1,0,0]=3 7540 B12R1.17 COCC(=O)c1cccc(c1)F 7a_100011592800_200000210301 [0,2,0,0,0,0|1,0,0]=3 7541 B12R1.17 COCC(=O)c1cccc(c1)O 34a_100138415774_100009813753 [0,2,0,0,0,0|1,0,0]=3 7542 B12R1.17 COCN(C)c1cccc(c1)C 2230a_100000219674_100000766300 [0,2,0,0,0,0|1,0,1]=4 7543 B12R1.17 COCN(C)c1cccc(c1)C 269982a_100000219674_100000766300 [0,2,0,0,0,0|1,0,1]=4 7544 B12R1.17 COC[C@@H](N)c1cccc(c1)C 34a_100009818812_200000210301 [0,2,0,0,0,0|1,0,1]=4 7545 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_100000212080_200000210301 [0,2,0,0,0,0|1,0,0]=3 7546 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_200000210301_100000212080 [0,2,0,0,0,0|1,0,0]=3 7547 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_100000739480_200000210301 [0,2,0,0,0,0|0,0,0]=2 7548 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_200000210301_100000739480 [0,2,0,0,0,0|0,0,0]=2 7549 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_100000211444_200000210301 [0,2,0,0,0,0|1,0,0]=3 7550 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_200000210301_100000211444 [0,2,0,0,0,0|1,0,0]=3 7551 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_100000215616_200000210301 [0,2,0,0,0,0|1,0,0]=3 7552 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_200000210301_100000215616 [0,2,0,0,0,0|1,0,0]=3 7553 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_100009813753_200000210301 [0,2,0,0,0,0|1,0,0]=3 7554 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_200000210301_100009813753 [0,2,0,0,0,0|1,0,0]=3 7555 B12R1.17 CSCC(=O)c1ccnc(c1)Cl 62a_100009817076_200000210301 [0,2,0,0,0,0|2,0,0]=4 7556 B12R1.17 CSCC(=O)c1ccnc(c1)Cl 62a_200000210301_100009817076 [0,2,0,0,0,0|2,0,0]=4 7557 B12R1.17 CSCN(C)c1cccc(c1)C 2230a_100000219674_100011218213 [0,2,0,0,0,0|1,1,0]=4 7558 B12R1.17 CSCN(C)c1cccc(c1)C 269982a_100000219674_100011218213 [0,2,0,0,0,0|1,1,0]=4 7559 B12R1.17 CSCN(C)c1cccc(c1)C 34a_100000219674_100011218213 [0,2,0,0,0,0|1,1,0]=4 7560 B12R1.17 Cc1cccc(c1)C(=O)CC#N 1458a_100000189346_100011214920 [0,2,0,0,0,0|0,0,0]=2 7561 B12R1.17 Cc1cccc(c1)C(=O)CCF 1458a_100000189346_100011217306 [0,2,0,0,0,0|0,0,0]=2 7562 B12R1.17 Cc1cccc(c1)C(=O)CCO 1458a_100000189346_100000211926 [0,2,0,0,0,0|0,0,0]=2 7563 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_100000739480_200025704644 [0,2,0,0,0,0|0,0,0]=2 7564 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000739480 [0,2,0,0,0,0|0,0,0]=2 7565 B12R1.17 Cc1cccc(c1)C(C)OCF 34a_100000757818_100015361967 [0,2,0,0,0,0|0,0,2]=4 7566 B12R1.17 Cc1cccc(c1)C(C)OCF 7a_100000757818_100015361967 [0,2,0,0,0,0|0,0,2]=4 7567 B12R1.17 Cc1cccc(c1)N(C)CC#N 2230a_100000219674_100011215382 [0,2,0,0,0,0|2,0,0]=4 7568 B12R1.17 Cc1cccc(c1)N(C)CC#N 269982a_100000219674_100011214920 [0,2,0,0,0,0|2,0,0]=4 7569 B12R1.17 Cc1cccc(c1)N(C)CC=O 2230a_100000219674_200015260668 [0,2,0,0,0,0|1,0,0]=3 7570 B12R1.17 Cc1cccc(c1)N(C)CC=O 269982a_100000219674_200015260668 [0,2,0,0,0,0|1,0,0]=3 7571 B12R1.17 Cc1cccc(c1)N(C)CC=O 34a_100000219674_200009817547 [0,2,0,0,0,0|1,0,0]=3 7572 B12R1.17 Cc1cccc(c1)N(C)CCF 2230a_100000219674_100011217306 [0,2,0,0,0,0|2,0,0]=4 7573 B12R1.17 Cc1cccc(c1)N(C)CCF 269982a_100000219674_100011217306 [0,2,0,0,0,0|2,0,0]=4 7574 B12R1.17 Cc1cccc(c1)N(C)CCF 34a_100000219674_100011217306 [0,2,0,0,0,0|2,0,0]=4 7575 B12R1.17 Cc1cccc(c1)N(C)CCO 2230a_100000219674_100000211926 [0,2,0,0,0,0|1,0,1]=4 7576 B12R1.17 Cc1cccc(c1)N(C)CCO 269982a_100000219674_100000211926 [0,2,0,0,0,0|1,0,1]=4 7577 B12R1.17 Cc1cccc(c1)N(C)CCO 34a_100000219674_100000211926 [0,2,0,0,0,0|1,0,1]=4 7578 B12R1.17 Cc1cccc(c1)[C@@H](C)NCF 34a_100000698126_100015361967 [0,2,0,0,0,0|1,0,1]=4 7579 B12R1.17 Cc1cccc(c1)[C@H](N)CO[13CH3] 34a_100009818812_200025704644 [0,2,0,0,0,0|1,0,1]=4 7580 B12R1.17 N#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100011214920 [0,2,0,0,0,0|1,0,0]=3 7581 B12R1.17 N#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011214920 [0,2,0,0,0,0|1,0,0]=3 7582 B12R1.17 N#CCC(=O)c1cccc(c1)F 1458a_100000210950_100011214920 [0,2,0,0,0,0|1,0,0]=3 7583 B12R1.17 N#CCC(=O)c1cccc(c1)I 1458a_100000184098_100011214920 [0,2,0,0,0,0|1,0,0]=3 7584 B12R1.17 N#CCC(=O)c1cccc(c1)O 1458a_100000183914_100011214920 [0,2,0,0,0,0|1,0,0]=3 7585 B12R1.17 N#CCC(=O)c1cccc(c1)O 271570a_203496583355_100000740218 [0,2,0,0,0,0|1,0,0]=3 7586 B12R1.17 O=C(CCF)c1cccc(c1)Br 1458a_100000210664_100011217306 [0,2,0,0,0,0|1,0,0]=3 7587 B12R1.17 O=C(CCF)c1cccc(c1)Cl 1458a_100000210390_100011217306 [0,2,0,0,0,0|1,0,0]=3 7588 B12R1.17 O=C(CCF)c1cccc(c1)F 1458a_100000210950_100011217306 [0,2,0,0,0,0|1,0,0]=3 7589 B12R1.17 O=C(CCF)c1cccc(c1)I 1458a_100000184098_100011217306 [0,2,0,0,0,0|1,0,0]=3 7590 B12R1.17 O=C(CCF)c1cccc(c1)O 1458a_100000183914_100011217306 [0,2,0,0,0,0|1,0,0]=3 7591 B12R1.17 O=C(CCO)c1cccc(c1)Br 1458a_100000210664_100000211926 [0,2,0,0,0,0|1,0,0]=3 7592 B12R1.17 O=C(CCO)c1cccc(c1)Cl 1458a_100000210390_100000211926 [0,2,0,0,0,0|1,0,0]=3 7593 B12R1.17 O=C(CCO)c1cccc(c1)F 1458a_100000210950_100000211926 [0,2,0,0,0,0|1,0,0]=3 7594 B12R1.17 O=C(CCO)c1cccc(c1)I 1458a_100000184098_100000211926 [0,2,0,0,0,0|1,0,0]=3 7595 B12R1.17 O=C(CCO)c1cccc(c1)O 1458a_100000183914_100000211926 [0,2,0,0,0,0|1,0,0]=3 7596 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)Cl 7a_200011592804_200025704644 [0,2,0,0,0,0|1,0,0]=3 7597 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 34a_100011592800_200025704644 [0,2,0,0,0,0|1,0,0]=3 7598 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 7a_100011592800_200025704644 [0,2,0,0,0,0|1,0,0]=3 7599 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_100000212080_200025704644 [0,2,0,0,0,0|1,0,0]=3 7600 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_200025704644_100000212080 [0,2,0,0,0,0|1,0,0]=3 7601 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_100000211444_200025704644 [0,2,0,0,0,0|1,0,0]=3 7602 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_200025704644_100000211444 [0,2,0,0,0,0|1,0,0]=3 7603 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_100000215616_200025704644 [0,2,0,0,0,0|1,0,0]=3 7604 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_200025704644_100000215616 [0,2,0,0,0,0|1,0,0]=3 7605 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_100009813753_200025704644 [0,2,0,0,0,0|1,0,0]=3 7606 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_200025704644_100009813753 [0,2,0,0,0,0|1,0,0]=3 7607 B12R1.17 [13CH3]SCC(=O)c1ccnc(c1)Cl 62a_100009817076_200025704644 [0,2,0,0,0,0|2,0,0]=4 7608 B12R1.17 [13CH3]SCC(=O)c1ccnc(c1)Cl 62a_200025704644_100009817076 [0,2,0,0,0,0|2,0,0]=4 7609 B12R1.24 CCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210202 [0,2,0,0,0,0|1,0,0]=3 7610 B12R1.24 CCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210202 [0,2,0,0,0,0|0,0,0]=2 7611 B12R1.24 CCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210202 [0,2,0,0,0,0|1,0,0]=3 7612 B12R1.24 CCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210202 [0,2,0,0,0,0|1,0,0]=3 7613 B12R1.24 CCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210202 [0,2,0,0,0,0|1,0,0]=3 7614 B12R1.24 CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210202 [0,2,0,0,0,0|1,0,0]=3 7615 B12R1.24 CCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210202 [0,2,0,0,0,0|1,0,0]=3 7616 B12R1.24 CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210202 [0,2,0,0,0,0|0,0,0]=2 7617 B12R1.24 CCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210202 [0,2,0,0,0,0|1,0,0]=3 7618 B12R1.24 CCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210202 [0,2,0,0,0,0|1,0,0]=3 7619 B12R1.24 CCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210202 [0,2,0,0,0,0|1,0,0]=3 7620 B12R1.24 CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210202 [0,2,0,0,0,0|1,0,0]=3 7621 B12R1.24 CCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210202 [0,2,0,0,0,0|1,0,0]=3 7622 B12R1.24 CCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210202 [0,2,0,0,0,0|0,0,0]=2 7623 B12R1.24 CCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210202 [0,2,0,0,0,0|1,0,0]=3 7624 B12R1.24 CCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210202 [0,2,0,0,0,0|1,0,0]=3 7625 B12R1.24 CCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210202 [0,2,0,0,0,0|1,0,0]=3 7626 B12R1.24 CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210202 [0,2,0,0,0,0|1,0,0]=3 7627 B12R1.24 CCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210202 [0,2,0,0,0,0|1,0,0]=3 7628 B12R1.24 CCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210202 [0,2,0,0,0,0|0,0,0]=2 7629 B12R1.24 CCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210202 [0,2,0,0,0,0|1,0,0]=3 7630 B12R1.24 CCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210202 [0,2,0,0,0,0|1,0,0]=3 7631 B12R1.24 CCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210202 [0,2,0,0,0,0|1,0,0]=3 7632 B12R1.24 CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210202 [0,2,0,0,0,0|1,0,0]=3 7633 B12R1.24 CCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210202 [0,2,0,0,0,0|1,0,0]=3 7634 B12R1.24 CCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210202 [0,2,0,0,0,0|0,0,0]=2 7635 B12R1.24 CCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210202 [0,2,0,0,0,0|1,0,0]=3 7636 B12R1.24 CCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210202 [0,2,0,0,0,0|1,0,0]=3 7637 B12R1.24 CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210202 [0,2,0,0,0,0|1,0,0]=3 7638 B12R1.24 CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210202 [0,2,0,0,0,0|1,0,0]=3 7639 B12R1.24 CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210202 [0,2,0,0,0,0|0,0,0]=2 7640 B12R1.24 CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210202 [0,2,0,0,0,0|1,0,0]=3 7641 B12R1.24 CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210202 [0,2,0,0,0,0|1,0,0]=3 7642 B12R1.24 CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210202 [0,2,0,0,0,0|1,0,0]=3 7643 B12R1.24 CCN(C)c1cccc(c1C)C 2230a_100000219776_200000210301 [0,2,0,0,0,0|2,0,0]=4 7644 B12R1.24 CCN(C)c1cccc(c1C)C 269982a_100000219776_200000210301 [0,2,0,0,0,0|2,0,0]=4 7645 B12R1.24 CCN(C)c1cccc(c1C)C 34a_100000219776_200000210301 [0,2,0,0,0,0|2,0,0]=4 7646 B12R1.24 CCN(C)c1cccc(c1C)C 7a_100000219776_200000210301 [0,2,0,0,0,0|2,0,0]=4 7647 B12R1.24 CCN([13CH3])c1cccc(c1C)C 2230a_100000219776_200025704644 [0,2,0,0,0,0|2,0,0]=4 7648 B12R1.24 CCN([13CH3])c1cccc(c1C)C 269982a_100000219776_200025704644 [0,2,0,0,0,0|2,0,0]=4 7649 B12R1.24 CCN([13CH3])c1cccc(c1C)C 34a_100000219776_200025704644 [0,2,0,0,0,0|2,0,0]=4 7650 B12R1.24 CCN([13CH3])c1cccc(c1C)C 7a_100000219776_200025704644 [0,2,0,0,0,0|2,0,0]=4 7651 B12R1.24 CNC(=O)c1cccc(c1Br)Br 11a_106832991635_100012360534 [0,2,0,0,0,0|1,0,0]=3 7652 B12R1.24 CNC(=O)c1cccc(c1Br)Br 1626a_100102657272_100012360534 [0,2,0,0,0,0|1,0,0]=3 7653 B12R1.24 CNC(=O)c1cccc(c1Br)Br 240690a_100102657272_100012360534 [0,2,0,0,0,0|1,0,0]=3 7654 B12R1.24 CNC(=O)c1cccc(c1Br)Br 527a_100102657272_100012360534 [0,2,0,0,0,0|1,0,0]=3 7655 B12R1.24 CNC(=O)c1cccc(c1Br)C 11a_106832991635_100000692419 [0,2,0,0,0,0|0,0,0]=2 7656 B12R1.24 CNC(=O)c1cccc(c1Br)C 1626a_100102657272_100000692419 [0,2,0,0,0,0|0,0,0]=2 7657 B12R1.24 CNC(=O)c1cccc(c1Br)C 240690a_100102657272_100000692419 [0,2,0,0,0,0|0,0,0]=2 7658 B12R1.24 CNC(=O)c1cccc(c1Br)C 527a_100102657272_100000692419 [0,2,0,0,0,0|0,0,0]=2 7659 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 11a_106832991635_100012339722 [0,2,0,0,0,0|1,0,0]=3 7660 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 1626a_100102657272_100012339722 [0,2,0,0,0,0|1,0,0]=3 7661 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 240690a_100102657272_100012339722 [0,2,0,0,0,0|1,0,0]=3 7662 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 527a_100102657272_100012339722 [0,2,0,0,0,0|1,0,0]=3 7663 B12R1.24 CNC(=O)c1cccc(c1Br)F 11a_106832991635_100011217547 [0,2,0,0,0,0|1,0,0]=3 7664 B12R1.24 CNC(=O)c1cccc(c1Br)F 1626a_100102657272_100011217547 [0,2,0,0,0,0|1,0,0]=3 7665 B12R1.24 CNC(=O)c1cccc(c1Br)F 240690a_100102657272_100011217547 [0,2,0,0,0,0|1,0,0]=3 7666 B12R1.24 CNC(=O)c1cccc(c1Br)F 527a_100102657272_100011217547 [0,2,0,0,0,0|1,0,0]=3 7667 B12R1.24 CNC(=O)c1cccc(c1Br)I 11a_106832991635_100010232522 [0,2,0,0,0,0|1,0,0]=3 7668 B12R1.24 CNC(=O)c1cccc(c1Br)I 1626a_100102657272_100010232522 [0,2,0,0,0,0|1,0,0]=3 7669 B12R1.24 CNC(=O)c1cccc(c1Br)I 240690a_100102657272_100010232522 [0,2,0,0,0,0|1,0,0]=3 7670 B12R1.24 CNC(=O)c1cccc(c1Br)I 527a_100102657272_100010232522 [0,2,0,0,0,0|1,0,0]=3 7671 B12R1.24 CNC(=O)c1cccc(c1Br)O 240690a_100102657272_100010230362 [0,2,0,0,0,0|1,0,0]=3 7672 B12R1.24 CNC(=O)c1cccc(c1Br)O 527a_100102657272_100010230362 [0,2,0,0,0,0|1,0,0]=3 7673 B12R1.24 CNC(=O)c1cccc(c1C)Br 11a_106832991635_100000760464 [0,2,0,0,0,0|1,0,0]=3 7674 B12R1.24 CNC(=O)c1cccc(c1C)Br 1626a_100102657272_100000760464 [0,2,0,0,0,0|1,0,0]=3 7675 B12R1.24 CNC(=O)c1cccc(c1C)Br 240690a_100102657272_100000760464 [0,2,0,0,0,0|1,0,0]=3 7676 B12R1.24 CNC(=O)c1cccc(c1C)Br 527a_100102657272_100000760464 [0,2,0,0,0,0|1,0,0]=3 7677 B12R1.24 CNC(=O)c1cccc(c1C)C 11a_106832991635_100000183679 [0,2,0,0,0,0|0,0,0]=2 7678 B12R1.24 CNC(=O)c1cccc(c1C)C 1626a_100102657272_100000183679 [0,2,0,0,0,0|0,0,0]=2 7679 B12R1.24 CNC(=O)c1cccc(c1C)C 240690a_100102657272_100000183679 [0,2,0,0,0,0|0,0,0]=2 7680 B12R1.24 CNC(=O)c1cccc(c1C)C 527a_100102657272_100000183679 [0,2,0,0,0,0|0,0,0]=2 7681 B12R1.24 CNC(=O)c1cccc(c1C)Cl 11a_106832991635_100000690184 [0,2,0,0,0,0|1,0,0]=3 7682 B12R1.24 CNC(=O)c1cccc(c1C)Cl 1626a_100102657272_100000690184 [0,2,0,0,0,0|1,0,0]=3 7683 B12R1.24 CNC(=O)c1cccc(c1C)Cl 240690a_100102657272_100000690184 [0,2,0,0,0,0|1,0,0]=3 7684 B12R1.24 CNC(=O)c1cccc(c1C)Cl 527a_100102657272_100000690184 [0,2,0,0,0,0|1,0,0]=3 7685 B12R1.24 CNC(=O)c1cccc(c1C)F 11a_106832991635_100011218272 [0,2,0,0,0,0|1,0,0]=3 7686 B12R1.24 CNC(=O)c1cccc(c1C)F 1626a_100102657272_100011218272 [0,2,0,0,0,0|1,0,0]=3 7687 B12R1.24 CNC(=O)c1cccc(c1C)F 240690a_100102657272_100011218272 [0,2,0,0,0,0|1,0,0]=3 7688 B12R1.24 CNC(=O)c1cccc(c1C)F 527a_100102657272_100011218272 [0,2,0,0,0,0|1,0,0]=3 7689 B12R1.24 CNC(=O)c1cccc(c1C)I 11a_106832991635_100000751865 [0,2,0,0,0,0|1,0,0]=3 7690 B12R1.24 CNC(=O)c1cccc(c1C)I 1626a_100102657272_100000751865 [0,2,0,0,0,0|1,0,0]=3 7691 B12R1.24 CNC(=O)c1cccc(c1C)I 240690a_100102657272_100000751865 [0,2,0,0,0,0|1,0,0]=3 7692 B12R1.24 CNC(=O)c1cccc(c1C)I 527a_100102657272_100000751865 [0,2,0,0,0,0|1,0,0]=3 7693 B12R1.24 CNC(=O)c1cccc(c1C)O 240690a_100102657272_100000766327 [0,2,0,0,0,0|1,0,0]=3 7694 B12R1.24 CNC(=O)c1cccc(c1C)O 527a_100102657272_100000766327 [0,2,0,0,0,0|1,0,0]=3 7695 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 11a_106832991635_100000760540 [0,2,0,0,0,0|1,0,0]=3 7696 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 1626a_100102657272_100000760540 [0,2,0,0,0,0|1,0,0]=3 7697 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 240690a_100102657272_100000760540 [0,2,0,0,0,0|1,0,0]=3 7698 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 527a_100102657272_100000760540 [0,2,0,0,0,0|1,0,0]=3 7699 B12R1.24 CNC(=O)c1cccc(c1Cl)C 11a_106832991635_100000693142 [0,2,0,0,0,0|0,0,0]=2 7700 B12R1.24 CNC(=O)c1cccc(c1Cl)C 1626a_100102657272_100000693142 [0,2,0,0,0,0|0,0,0]=2 7701 B12R1.24 CNC(=O)c1cccc(c1Cl)C 240690a_100102657272_100000693142 [0,2,0,0,0,0|0,0,0]=2 7702 B12R1.24 CNC(=O)c1cccc(c1Cl)C 527a_100102657272_100000693142 [0,2,0,0,0,0|0,0,0]=2 7703 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 11a_106832991635_100000183631 [0,2,0,0,0,0|1,0,0]=3 7704 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 1626a_100102657272_100000183631 [0,2,0,0,0,0|1,0,0]=3 7705 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 240690a_100102657272_100000183631 [0,2,0,0,0,0|1,0,0]=3 7706 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 527a_100102657272_100000183631 [0,2,0,0,0,0|1,0,0]=3 7707 B12R1.24 CNC(=O)c1cccc(c1Cl)F 11a_106832991635_100000759904 [0,2,0,0,0,0|1,0,0]=3 7708 B12R1.24 CNC(=O)c1cccc(c1Cl)F 1626a_100102657272_100000759904 [0,2,0,0,0,0|1,0,0]=3 7709 B12R1.24 CNC(=O)c1cccc(c1Cl)F 240690a_100102657272_100000759904 [0,2,0,0,0,0|1,0,0]=3 7710 B12R1.24 CNC(=O)c1cccc(c1Cl)F 527a_100102657272_100000759904 [0,2,0,0,0,0|1,0,0]=3 7711 B12R1.24 CNC(=O)c1cccc(c1Cl)I 11a_106832991635_100010176783 [0,2,0,0,0,0|1,0,0]=3 7712 B12R1.24 CNC(=O)c1cccc(c1Cl)I 1626a_100102657272_100010176783 [0,2,0,0,0,0|1,0,0]=3 7713 B12R1.24 CNC(=O)c1cccc(c1Cl)I 240690a_100102657272_100010176783 [0,2,0,0,0,0|1,0,0]=3 7714 B12R1.24 CNC(=O)c1cccc(c1Cl)I 527a_100102657272_100010176783 [0,2,0,0,0,0|1,0,0]=3 7715 B12R1.24 CNC(=O)c1cccc(c1Cl)O 240690a_100102657272_100000092362 [0,2,0,0,0,0|1,0,0]=3 7716 B12R1.24 CNC(=O)c1cccc(c1Cl)O 527a_100102657272_100000092362 [0,2,0,0,0,0|1,0,0]=3 7717 B12R1.24 CNC(=O)c1cccc(c1F)Br 11a_106832991635_100000756403 [0,2,0,0,0,0|1,0,0]=3 7718 B12R1.24 CNC(=O)c1cccc(c1F)Br 1626a_100102657272_100000756403 [0,2,0,0,0,0|1,0,0]=3 7719 B12R1.24 CNC(=O)c1cccc(c1F)Br 240690a_100102657272_100000756403 [0,2,0,0,0,0|1,0,0]=3 7720 B12R1.24 CNC(=O)c1cccc(c1F)Br 527a_100102657272_100000756403 [0,2,0,0,0,0|1,0,0]=3 7721 B12R1.24 CNC(=O)c1cccc(c1F)C 11a_106832991635_100000766181 [0,2,0,0,0,0|0,0,0]=2 7722 B12R1.24 CNC(=O)c1cccc(c1F)C 1626a_100102657272_100000766181 [0,2,0,0,0,0|0,0,0]=2 7723 B12R1.24 CNC(=O)c1cccc(c1F)C 240690a_100102657272_100000766181 [0,2,0,0,0,0|0,0,0]=2 7724 B12R1.24 CNC(=O)c1cccc(c1F)C 527a_100102657272_100000766181 [0,2,0,0,0,0|0,0,0]=2 7725 B12R1.24 CNC(=O)c1cccc(c1F)Cl 11a_106832991635_100000688816 [0,2,0,0,0,0|1,0,0]=3 7726 B12R1.24 CNC(=O)c1cccc(c1F)Cl 1626a_100102657272_100000688816 [0,2,0,0,0,0|1,0,0]=3 7727 B12R1.24 CNC(=O)c1cccc(c1F)Cl 240690a_100102657272_100000688816 [0,2,0,0,0,0|1,0,0]=3 7728 B12R1.24 CNC(=O)c1cccc(c1F)Cl 527a_100102657272_100000688816 [0,2,0,0,0,0|1,0,0]=3 7729 B12R1.24 CNC(=O)c1cccc(c1F)F 11a_106832991635_100000748134 [0,2,0,0,0,0|1,0,0]=3 7730 B12R1.24 CNC(=O)c1cccc(c1F)F 1626a_100102657272_100000748134 [0,2,0,0,0,0|1,0,0]=3 7731 B12R1.24 CNC(=O)c1cccc(c1F)F 240690a_100102657272_100000748134 [0,2,0,0,0,0|1,0,0]=3 7732 B12R1.24 CNC(=O)c1cccc(c1F)F 527a_100102657272_100000748134 [0,2,0,0,0,0|1,0,0]=3 7733 B12R1.24 CNC(=O)c1cccc(c1F)I 11a_106832991635_100010185205 [0,2,0,0,0,0|1,0,0]=3 7734 B12R1.24 CNC(=O)c1cccc(c1F)I 1626a_100102657272_100010185205 [0,2,0,0,0,0|1,0,0]=3 7735 B12R1.24 CNC(=O)c1cccc(c1F)I 240690a_100102657272_100010185205 [0,2,0,0,0,0|1,0,0]=3 7736 B12R1.24 CNC(=O)c1cccc(c1F)I 527a_100102657272_100010185205 [0,2,0,0,0,0|1,0,0]=3 7737 B12R1.24 CNC(=O)c1cccc(c1F)O 240690a_100102657272_100000037433 [0,2,0,0,0,0|1,0,0]=3 7738 B12R1.24 CNC(=O)c1cccc(c1F)O 527a_100102657272_100000037433 [0,2,0,0,0,0|1,0,0]=3 7739 B12R1.24 CNC(=O)c1cccc(c1I)Br 11a_106832991635_100000688019 [0,2,0,0,0,0|1,0,0]=3 7740 B12R1.24 CNC(=O)c1cccc(c1I)Br 1626a_100102657272_100000688019 [0,2,0,0,0,0|1,0,0]=3 7741 B12R1.24 CNC(=O)c1cccc(c1I)Br 240690a_100102657272_100000688019 [0,2,0,0,0,0|1,0,0]=3 7742 B12R1.24 CNC(=O)c1cccc(c1I)Br 527a_100102657272_100000688019 [0,2,0,0,0,0|1,0,0]=3 7743 B12R1.24 CNC(=O)c1cccc(c1I)C 11a_106832991635_100000739377 [0,2,0,0,0,0|0,0,0]=2 7744 B12R1.24 CNC(=O)c1cccc(c1I)C 1626a_100102657272_100000739377 [0,2,0,0,0,0|0,0,0]=2 7745 B12R1.24 CNC(=O)c1cccc(c1I)C 240690a_100102657272_100000739377 [0,2,0,0,0,0|0,0,0]=2 7746 B12R1.24 CNC(=O)c1cccc(c1I)C 527a_100102657272_100000739377 [0,2,0,0,0,0|0,0,0]=2 7747 B12R1.24 CNC(=O)c1cccc(c1I)Cl 11a_106832991635_100010176784 [0,2,0,0,0,0|1,0,0]=3 7748 B12R1.24 CNC(=O)c1cccc(c1I)Cl 1626a_100102657272_100010176784 [0,2,0,0,0,0|1,0,0]=3 7749 B12R1.24 CNC(=O)c1cccc(c1I)Cl 240690a_100102657272_100010176784 [0,2,0,0,0,0|1,0,0]=3 7750 B12R1.24 CNC(=O)c1cccc(c1I)Cl 527a_100102657272_100010176784 [0,2,0,0,0,0|1,0,0]=3 7751 B12R1.24 CNC(=O)c1cccc(c1I)F 11a_106832991635_100000690930 [0,2,0,0,0,0|1,0,0]=3 7752 B12R1.24 CNC(=O)c1cccc(c1I)F 1626a_100102657272_100000690930 [0,2,0,0,0,0|1,0,0]=3 7753 B12R1.24 CNC(=O)c1cccc(c1I)F 240690a_100102657272_100000690930 [0,2,0,0,0,0|1,0,0]=3 7754 B12R1.24 CNC(=O)c1cccc(c1I)F 527a_100102657272_100000690930 [0,2,0,0,0,0|1,0,0]=3 7755 B12R1.24 CNC(=O)c1cccc(c1I)O 527a_100102657272_100010084636 [0,2,0,0,0,0|1,0,0]=3 7756 B12R1.24 CNC(=O)c1cccc(c1O)Br 240690a_100102657272_100000752940 [0,2,0,0,0,0|1,0,0]=3 7757 B12R1.24 CNC(=O)c1cccc(c1O)Br 527a_100102657272_100000752940 [0,2,0,0,0,0|1,0,0]=3 7758 B12R1.24 CNC(=O)c1cccc(c1O)C 240690a_100102657272_100000183896 [0,2,0,0,0,0|0,0,0]=2 7759 B12R1.24 CNC(=O)c1cccc(c1O)C 527a_100102657272_100000183896 [0,2,0,0,0,0|0,0,0]=2 7760 B12R1.24 CNC(=O)c1cccc(c1O)Cl 240690a_100102657272_100000742801 [0,2,0,0,0,0|1,0,0]=3 7761 B12R1.24 CNC(=O)c1cccc(c1O)Cl 527a_100102657272_100000742801 [0,2,0,0,0,0|1,0,0]=3 7762 B12R1.24 CNC(=O)c1cccc(c1O)F 240690a_100102657272_100011217230 [0,2,0,0,0,0|1,0,0]=3 7763 B12R1.24 CNC(=O)c1cccc(c1O)F 527a_100102657272_100011217230 [0,2,0,0,0,0|1,0,0]=3 7764 B12R1.24 CNC(=O)c1cccc(c1O)O 527a_100102657272_100000690420 [0,2,0,0,0,0|1,0,0]=3 7765 B12R1.24 CNC(C)c1cccc(c1C)C 2230a_106832991635_100012183177 [0,2,0,0,0,0|1,0,1]=4 7766 B12R1.24 CNC(C)c1cccc(c1C)C 269862a_106832991636_100000756305 [0,2,0,0,0,0|1,0,1]=4 7767 B12R1.24 CNC(C)c1cccc(c1C)C 34a_100102657272_100012183177 [0,2,0,0,0,0|1,0,1]=4 7768 B12R1.24 CNC(C)c1cccc(c1C)C 7a_106832991635_100012183177 [0,2,0,0,0,0|1,0,1]=4 7769 B12R1.24 CNC(C)c1cccc(c1F)C 269862a_106832991636_100012182731 [0,2,0,0,0,0|1,0,1]=4 7770 B12R1.24 CNC(C)c1cccc(c1O)C 269862a_106832991636_100009847209 [0,2,0,0,0,0|1,0,1]=4 7771 B12R1.24 COC(=O)c1c[nH]cc(c1=O)O 271570a_203496583355_100010873956 [0,2,0,0,0,0|2,0,0]=4 7772 B12R1.24 COC(=O)c1cccc(c1Br)O 271570a_203496583355_100010240208 [0,2,0,0,0,0|1,0,0]=3 7773 B12R1.24 COC(=O)c1cccc(c1C)O 271570a_203496583355_100012298220 [0,2,0,0,0,0|1,0,0]=3 7774 B12R1.24 COC(=O)c1cccc(c1F)O 271570a_203496583355_100012355674 [0,2,0,0,0,0|1,0,0]=3 7775 B12R1.24 COC(=O)c1cccc(c1N)O 271570a_203496583355_100011356556 [0,2,0,0,0,0|1,0,0]=3 7776 B12R1.24 COC(=O)c1cccc(c1O)Br 271570a_203496583355_100010150843 [0,2,0,0,0,0|1,0,0]=3 7777 B12R1.24 COC(=O)c1cccc(c1O)C 271570a_203496583355_100012002529 [0,2,0,0,0,0|0,0,0]=2 7778 B12R1.24 COC(=O)c1cccc(c1O)F 271570a_203496583355_100012357630 [0,2,0,0,0,0|1,0,0]=3 7779 B12R1.24 COC(=O)c1cccc(c1O)N 271570a_203496583355_100000719424 [0,2,0,0,0,0|1,0,0]=3 7780 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_100009816214 [0,2,0,0,0,0|1,0,0]=3 7781 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_200010230364 [0,2,0,0,0,0|1,0,0]=3 7782 B12R1.24 COC(=O)c1ccnc(c1C)O 271570a_203496583355_100000087782 [0,2,0,0,0,0|2,0,0]=4 7783 B12R1.24 COC(=O)c1ccnc(c1F)O 271570a_203496583355_100000081818 [0,2,0,0,0,0|2,0,0]=4 7784 B12R1.24 COC(=O)c1ccnc(c1N)O 271570a_203496583355_100000067308 [0,2,0,0,0,0|2,0,0]=4 7785 B12R1.24 COC(=O)c1cncc(c1C)O 271570a_203496583355_100010713144 [0,2,0,0,0,0|2,0,0]=4 7786 B12R1.24 COC(=O)c1nccc(c1C)O 271570a_203496583355_100000094583 [0,2,0,0,0,0|2,0,0]=4 7787 B12R1.24 COC(=O)c1nccc(c1F)O 271570a_203496583355_100000687924 [0,2,0,0,0,0|2,0,0]=4 7788 B12R1.24 COC(C)c1cccc(c1C)C 34a_100138415774_100012183177 [0,2,0,0,0,0|0,0,2]=4 7789 B12R1.24 CSC(C)c1cccc(c1C)C 62a_100012183177_200000210301 [0,2,0,0,0,0|0,1,1]=4 7790 B12R1.24 CSC(C)c1cccc(c1C)C 62a_200000210301_100012183177 [0,2,0,0,0,0|0,1,1]=4 7791 B12R1.24 Cc1c(cccc1C(=O)CF)Br 1458a_100000760464_100015361967 [0,2,0,0,0,0|1,0,0]=3 7792 B12R1.24 Cc1c(cccc1C(=O)CF)Cl 1458a_100000690184_100015361967 [0,2,0,0,0,0|1,0,0]=3 7793 B12R1.24 Cc1c(cccc1C(=O)CF)F 1458a_100011218272_100015361967 [0,2,0,0,0,0|1,0,0]=3 7794 B12R1.24 Cc1c(cccc1C(=O)CF)I 1458a_100000751865_100015361967 [0,2,0,0,0,0|1,0,0]=3 7795 B12R1.24 Cc1c(cccc1C(=O)CF)O 1458a_100000766327_100015361967 [0,2,0,0,0,0|1,0,0]=3 7796 B12R1.24 Cc1c(cccc1C(=O)NN)O 271570a_203496583355_200012298103 [0,2,0,0,0,0|2,0,0]=4 7797 B12R1.24 Cc1cccc(c1Br)C(=O)CF 1458a_100000692419_100015361967 [0,2,0,0,0,0|0,0,0]=2 7798 B12R1.24 Cc1cccc(c1C)C(=O)CF 1458a_100000183679_100015361967 [0,2,0,0,0,0|0,0,0]=2 7799 B12R1.24 Cc1cccc(c1C)C(C)S[13CH3] 62a_100012183177_200025704644 [0,2,0,0,0,0|0,1,1]=4 7800 B12R1.24 Cc1cccc(c1C)C(C)S[13CH3] 62a_200025704644_100012183177 [0,2,0,0,0,0|0,1,1]=4 7801 B12R1.24 Cc1cccc(c1Cl)C(=O)CF 1458a_100000693142_100015361967 [0,2,0,0,0,0|0,0,0]=2 7802 B12R1.24 Cc1cccc(c1F)C(=O)CF 1458a_100000766181_100015361967 [0,2,0,0,0,0|0,0,0]=2 7803 B12R1.24 Cc1cccc(c1I)C(=O)CF 1458a_100000739377_100015361967 [0,2,0,0,0,0|0,0,0]=2 7804 B12R1.24 Cc1cccc(c1O)C(=O)CF 1458a_100000183896_100015361967 [0,2,0,0,0,0|0,0,0]=2 7805 B12R1.24 O=C(CF)c1cccc(c1Br)Br 1458a_100012360534_100015361967 [0,2,0,0,0,0|1,0,0]=3 7806 B12R1.24 O=C(CF)c1cccc(c1Br)Cl 1458a_100012339722_100015361967 [0,2,0,0,0,0|1,0,0]=3 7807 B12R1.24 O=C(CF)c1cccc(c1Br)F 1458a_100011217547_100015361967 [0,2,0,0,0,0|1,0,0]=3 7808 B12R1.24 O=C(CF)c1cccc(c1Br)I 1458a_100010232522_100015361967 [0,2,0,0,0,0|1,0,0]=3 7809 B12R1.24 O=C(CF)c1cccc(c1Br)O 1458a_100010230362_100015361967 [0,2,0,0,0,0|1,0,0]=3 7810 B12R1.24 O=C(CF)c1cccc(c1Cl)Br 1458a_100000760540_100015361967 [0,2,0,0,0,0|1,0,0]=3 7811 B12R1.24 O=C(CF)c1cccc(c1Cl)Cl 1458a_100000183631_100015361967 [0,2,0,0,0,0|1,0,0]=3 7812 B12R1.24 O=C(CF)c1cccc(c1Cl)F 1458a_100000759904_100015361967 [0,2,0,0,0,0|1,0,0]=3 7813 B12R1.24 O=C(CF)c1cccc(c1Cl)I 1458a_100010176783_100015361967 [0,2,0,0,0,0|1,0,0]=3 7814 B12R1.24 O=C(CF)c1cccc(c1Cl)O 1458a_100000092362_100015361967 [0,2,0,0,0,0|1,0,0]=3 7815 B12R1.24 O=C(CF)c1cccc(c1F)Br 1458a_100000756403_100015361967 [0,2,0,0,0,0|1,0,0]=3 7816 B12R1.24 O=C(CF)c1cccc(c1F)Cl 1458a_100000688816_100015361967 [0,2,0,0,0,0|1,0,0]=3 7817 B12R1.24 O=C(CF)c1cccc(c1F)F 1458a_100000748134_100015361967 [0,2,0,0,0,0|1,0,0]=3 7818 B12R1.24 O=C(CF)c1cccc(c1F)I 1458a_100010185205_100015361967 [0,2,0,0,0,0|1,0,0]=3 7819 B12R1.24 O=C(CF)c1cccc(c1F)O 1458a_100000037433_100015361967 [0,2,0,0,0,0|1,0,0]=3 7820 B12R1.24 O=C(CF)c1cccc(c1I)Br 1458a_100000688019_100015361967 [0,2,0,0,0,0|1,0,0]=3 7821 B12R1.24 O=C(CF)c1cccc(c1I)Cl 1458a_100010176784_100015361967 [0,2,0,0,0,0|1,0,0]=3 7822 B12R1.24 O=C(CF)c1cccc(c1I)F 1458a_100000690930_100015361967 [0,2,0,0,0,0|1,0,0]=3 7823 B12R1.24 O=C(CF)c1cccc(c1I)O 1458a_100010084636_100015361967 [0,2,0,0,0,0|1,0,0]=3 7824 B12R1.24 O=C(CF)c1cccc(c1O)Br 1458a_100000752940_100015361967 [0,2,0,0,0,0|1,0,0]=3 7825 B12R1.24 O=C(CF)c1cccc(c1O)Cl 1458a_100000742801_100015361967 [0,2,0,0,0,0|1,0,0]=3 7826 B12R1.24 O=C(CF)c1cccc(c1O)F 1458a_100011217230_100015361967 [0,2,0,0,0,0|1,0,0]=3 7827 B12R1.24 O=C(CF)c1cccc(c1O)O 1458a_100000690420_100015361967 [0,2,0,0,0,0|1,0,0]=3 7828 B12R1.354 CCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210202 [0,2,0,0,0,0|1,0,0]=3 7829 B12R1.354 CCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210202 [0,2,0,0,0,0|0,0,0]=2 7830 B12R1.354 CCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210202 [0,2,0,0,0,0|1,0,0]=3 7831 B12R1.354 CCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210202 [0,2,0,0,0,0|1,0,0]=3 7832 B12R1.354 CCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210202 [0,2,0,0,0,0|1,0,0]=3 7833 B12R1.354 CCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210202 [0,2,0,0,0,0|1,0,0]=3 7834 B12R1.354 CCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210202 [0,2,0,0,0,0|1,0,0]=3 7835 B12R1.354 CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210202 [0,2,0,0,0,0|0,0,0]=2 7836 B12R1.354 CCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210202 [0,2,0,0,0,0|1,0,0]=3 7837 B12R1.354 CCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210202 [0,2,0,0,0,0|1,0,0]=3 7838 B12R1.354 CCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210202 [0,2,0,0,0,0|1,0,0]=3 7839 B12R1.354 CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210202 [0,2,0,0,0,0|1,0,0]=3 7840 B12R1.354 CCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210202 [0,2,0,0,0,0|1,0,0]=3 7841 B12R1.354 CCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210202 [0,2,0,0,0,0|0,0,0]=2 7842 B12R1.354 CCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210202 [0,2,0,0,0,0|1,0,0]=3 7843 B12R1.354 CCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210202 [0,2,0,0,0,0|1,0,0]=3 7844 B12R1.354 CCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210202 [0,2,0,0,0,0|1,0,0]=3 7845 B12R1.354 CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210202 [0,2,0,0,0,0|1,0,0]=3 7846 B12R1.354 CCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210202 [0,2,0,0,0,0|1,0,0]=3 7847 B12R1.354 CCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210202 [0,2,0,0,0,0|0,0,0]=2 7848 B12R1.354 CCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210202 [0,2,0,0,0,0|1,0,0]=3 7849 B12R1.354 CCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210202 [0,2,0,0,0,0|1,0,0]=3 7850 B12R1.354 CCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210202 [0,2,0,0,0,0|1,0,0]=3 7851 B12R1.354 CCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210202 [0,2,0,0,0,0|1,0,0]=3 7852 B12R1.354 CCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210202 [0,2,0,0,0,0|1,0,0]=3 7853 B12R1.354 CCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210202 [0,2,0,0,0,0|0,0,0]=2 7854 B12R1.354 CCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210202 [0,2,0,0,0,0|1,0,0]=3 7855 B12R1.354 CCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210202 [0,2,0,0,0,0|1,0,0]=3 7856 B12R1.354 CCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210202 [0,2,0,0,0,0|1,0,0]=3 7857 B12R1.354 CCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210202 [0,2,0,0,0,0|1,0,0]=3 7858 B12R1.354 CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210202 [0,2,0,0,0,0|1,0,0]=3 7859 B12R1.354 CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210202 [0,2,0,0,0,0|0,0,0]=2 7860 B12R1.354 CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210202 [0,2,0,0,0,0|1,0,0]=3 7861 B12R1.354 CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210202 [0,2,0,0,0,0|1,0,0]=3 7862 B12R1.354 CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210202 [0,2,0,0,0,0|1,0,0]=3 7863 B12R1.354 CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210202 [0,2,0,0,0,0|1,0,0]=3 7864 B12R1.354 CCC(=O)c1cc(ccc1O)O 271570a_203496583355_100000183607 [0,2,0,0,0,0|1,0,0]=3 7865 B12R1.354 CCN(C)c1cc(ccc1C)C 2230a_100000743043_200000210301 [0,2,0,0,0,0|2,0,0]=4 7866 B12R1.354 CCN(C)c1cc(ccc1C)C 269982a_100000743043_200000210301 [0,2,0,0,0,0|2,0,0]=4 7867 B12R1.354 CCN(C)c1cc(ccc1C)C 34a_100000743043_200000210301 [0,2,0,0,0,0|2,0,0]=4 7868 B12R1.354 CCN(C)c1cc(ccc1C)C 7a_100000743043_200000210301 [0,2,0,0,0,0|2,0,0]=4 7869 B12R1.354 CCN([13CH3])c1cc(ccc1C)C 2230a_100000743043_200025704644 [0,2,0,0,0,0|2,0,0]=4 7870 B12R1.354 CCN([13CH3])c1cc(ccc1C)C 269982a_100000743043_200025704644 [0,2,0,0,0,0|2,0,0]=4 7871 B12R1.354 CCN([13CH3])c1cc(ccc1C)C 34a_100000743043_200025704644 [0,2,0,0,0,0|2,0,0]=4 7872 B12R1.354 CCN([13CH3])c1cc(ccc1C)C 7a_100000743043_200025704644 [0,2,0,0,0,0|2,0,0]=4 7873 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 11a_106832991635_100000690610 [0,2,0,0,0,0|1,0,0]=3 7874 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 1626a_100102657272_100000690610 [0,2,0,0,0,0|1,0,0]=3 7875 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 240690a_100102657272_100000690610 [0,2,0,0,0,0|1,0,0]=3 7876 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 527a_100102657272_100000690610 [0,2,0,0,0,0|1,0,0]=3 7877 B12R1.354 CNC(=O)c1cc(ccc1Br)C 11a_106832991635_100000689033 [0,2,0,0,0,0|0,0,0]=2 7878 B12R1.354 CNC(=O)c1cc(ccc1Br)C 1626a_100102657272_100000689033 [0,2,0,0,0,0|0,0,0]=2 7879 B12R1.354 CNC(=O)c1cc(ccc1Br)C 240690a_100102657272_100000689033 [0,2,0,0,0,0|0,0,0]=2 7880 B12R1.354 CNC(=O)c1cc(ccc1Br)C 527a_100102657272_100000689033 [0,2,0,0,0,0|0,0,0]=2 7881 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 11a_106832991635_100000736951 [0,2,0,0,0,0|1,0,0]=3 7882 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 1626a_100102657272_100000736951 [0,2,0,0,0,0|1,0,0]=3 7883 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 240690a_100102657272_100000736951 [0,2,0,0,0,0|1,0,0]=3 7884 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 527a_100102657272_100000736951 [0,2,0,0,0,0|1,0,0]=3 7885 B12R1.354 CNC(=O)c1cc(ccc1Br)F 11a_106832991635_100000212315 [0,2,0,0,0,0|1,0,0]=3 7886 B12R1.354 CNC(=O)c1cc(ccc1Br)F 1626a_100102657272_100000212315 [0,2,0,0,0,0|1,0,0]=3 7887 B12R1.354 CNC(=O)c1cc(ccc1Br)F 240690a_100102657272_100000212315 [0,2,0,0,0,0|1,0,0]=3 7888 B12R1.354 CNC(=O)c1cc(ccc1Br)F 527a_100102657272_100000212315 [0,2,0,0,0,0|1,0,0]=3 7889 B12R1.354 CNC(=O)c1cc(ccc1Br)I 11a_106832991635_100000698340 [0,2,0,0,0,0|1,0,0]=3 7890 B12R1.354 CNC(=O)c1cc(ccc1Br)I 1626a_100102657272_100000698340 [0,2,0,0,0,0|1,0,0]=3 7891 B12R1.354 CNC(=O)c1cc(ccc1Br)I 240690a_100102657272_100000698340 [0,2,0,0,0,0|1,0,0]=3 7892 B12R1.354 CNC(=O)c1cc(ccc1Br)I 527a_100102657272_100000698340 [0,2,0,0,0,0|1,0,0]=3 7893 B12R1.354 CNC(=O)c1cc(ccc1Br)O 240690a_100102657272_100012352043 [0,2,0,0,0,0|1,0,0]=3 7894 B12R1.354 CNC(=O)c1cc(ccc1Br)O 527a_100102657272_100012352043 [0,2,0,0,0,0|1,0,0]=3 7895 B12R1.354 CNC(=O)c1cc(ccc1C)Br 11a_106832991635_100000759961 [0,2,0,0,0,0|1,0,0]=3 7896 B12R1.354 CNC(=O)c1cc(ccc1C)Br 1626a_100102657272_100000759961 [0,2,0,0,0,0|1,0,0]=3 7897 B12R1.354 CNC(=O)c1cc(ccc1C)Br 240690a_100102657272_100000759961 [0,2,0,0,0,0|1,0,0]=3 7898 B12R1.354 CNC(=O)c1cc(ccc1C)Br 527a_100102657272_100000759961 [0,2,0,0,0,0|1,0,0]=3 7899 B12R1.354 CNC(=O)c1cc(ccc1C)C 11a_106832991635_100000195421 [0,2,0,0,0,0|0,0,0]=2 7900 B12R1.354 CNC(=O)c1cc(ccc1C)C 1626a_100102657272_100000195421 [0,2,0,0,0,0|0,0,0]=2 7901 B12R1.354 CNC(=O)c1cc(ccc1C)C 240690a_100102657272_100000195421 [0,2,0,0,0,0|0,0,0]=2 7902 B12R1.354 CNC(=O)c1cc(ccc1C)C 527a_100102657272_100000195421 [0,2,0,0,0,0|0,0,0]=2 7903 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 11a_106832991635_100000692595 [0,2,0,0,0,0|1,0,0]=3 7904 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 1626a_100102657272_100000692595 [0,2,0,0,0,0|1,0,0]=3 7905 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 240690a_100102657272_100000692595 [0,2,0,0,0,0|1,0,0]=3 7906 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 527a_100102657272_100000692595 [0,2,0,0,0,0|1,0,0]=3 7907 B12R1.354 CNC(=O)c1cc(ccc1C)F 11a_106832991635_100000240043 [0,2,0,0,0,0|1,0,0]=3 7908 B12R1.354 CNC(=O)c1cc(ccc1C)F 1626a_100102657272_100000240043 [0,2,0,0,0,0|1,0,0]=3 7909 B12R1.354 CNC(=O)c1cc(ccc1C)F 240690a_100102657272_100000240043 [0,2,0,0,0,0|1,0,0]=3 7910 B12R1.354 CNC(=O)c1cc(ccc1C)F 527a_100102657272_100000240043 [0,2,0,0,0,0|1,0,0]=3 7911 B12R1.354 CNC(=O)c1cc(ccc1C)I 11a_106832991635_100000688012 [0,2,0,0,0,0|1,0,0]=3 7912 B12R1.354 CNC(=O)c1cc(ccc1C)I 1626a_100102657272_100000688012 [0,2,0,0,0,0|1,0,0]=3 7913 B12R1.354 CNC(=O)c1cc(ccc1C)I 240690a_100102657272_100000688012 [0,2,0,0,0,0|1,0,0]=3 7914 B12R1.354 CNC(=O)c1cc(ccc1C)I 527a_100102657272_100000688012 [0,2,0,0,0,0|1,0,0]=3 7915 B12R1.354 CNC(=O)c1cc(ccc1C)O 240690a_100102657272_100000687834 [0,2,0,0,0,0|1,0,0]=3 7916 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 11a_106832991635_100000211212 [0,2,0,0,0,0|1,0,0]=3 7917 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 1626a_100102657272_100000211212 [0,2,0,0,0,0|1,0,0]=3 7918 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 240690a_100102657272_100000211212 [0,2,0,0,0,0|1,0,0]=3 7919 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 527a_100102657272_100000211212 [0,2,0,0,0,0|1,0,0]=3 7920 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 11a_106832991635_100011290873 [0,2,0,0,0,0|0,0,0]=2 7921 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 1626a_100102657272_100011290873 [0,2,0,0,0,0|0,0,0]=2 7922 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 240690a_100102657272_100011290873 [0,2,0,0,0,0|0,0,0]=2 7923 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 527a_100102657272_100011290873 [0,2,0,0,0,0|0,0,0]=2 7924 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 11a_106832991635_100000210642 [0,2,0,0,0,0|1,0,0]=3 7925 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 1626a_100102657272_100000210642 [0,2,0,0,0,0|1,0,0]=3 7926 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 240690a_100102657272_100000210642 [0,2,0,0,0,0|1,0,0]=3 7927 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 527a_100102657272_100000210642 [0,2,0,0,0,0|1,0,0]=3 7928 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 11a_106832991635_100011219680 [0,2,0,0,0,0|1,0,0]=3 7929 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 1626a_100102657272_100011219680 [0,2,0,0,0,0|1,0,0]=3 7930 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 240690a_100102657272_100011219680 [0,2,0,0,0,0|1,0,0]=3 7931 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 527a_100102657272_100011219680 [0,2,0,0,0,0|1,0,0]=3 7932 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 11a_106832991635_100000688013 [0,2,0,0,0,0|1,0,0]=3 7933 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 1626a_100102657272_100000688013 [0,2,0,0,0,0|1,0,0]=3 7934 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 240690a_100102657272_100000688013 [0,2,0,0,0,0|1,0,0]=3 7935 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 527a_100102657272_100000688013 [0,2,0,0,0,0|1,0,0]=3 7936 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 240690a_100102657272_100000719527 [0,2,0,0,0,0|1,0,0]=3 7937 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 527a_100102657272_100000719527 [0,2,0,0,0,0|1,0,0]=3 7938 B12R1.354 CNC(=O)c1cc(ccc1F)Br 11a_106832991635_100000212322 [0,2,0,0,0,0|1,0,0]=3 7939 B12R1.354 CNC(=O)c1cc(ccc1F)Br 1626a_100102657272_100000212322 [0,2,0,0,0,0|1,0,0]=3 7940 B12R1.354 CNC(=O)c1cc(ccc1F)Br 240690a_100102657272_100000212322 [0,2,0,0,0,0|1,0,0]=3 7941 B12R1.354 CNC(=O)c1cc(ccc1F)Br 527a_100102657272_100000212322 [0,2,0,0,0,0|1,0,0]=3 7942 B12R1.354 CNC(=O)c1cc(ccc1F)C 11a_106832991635_100000749327 [0,2,0,0,0,0|0,0,0]=2 7943 B12R1.354 CNC(=O)c1cc(ccc1F)C 1626a_100102657272_100000749327 [0,2,0,0,0,0|0,0,0]=2 7944 B12R1.354 CNC(=O)c1cc(ccc1F)C 240690a_100102657272_100000749327 [0,2,0,0,0,0|0,0,0]=2 7945 B12R1.354 CNC(=O)c1cc(ccc1F)C 527a_100102657272_100000749327 [0,2,0,0,0,0|0,0,0]=2 7946 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 11a_106832991635_100000214954 [0,2,0,0,0,0|1,0,0]=3 7947 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 1626a_100102657272_100000214954 [0,2,0,0,0,0|1,0,0]=3 7948 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 240690a_100102657272_100000214954 [0,2,0,0,0,0|1,0,0]=3 7949 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 527a_100102657272_100000214954 [0,2,0,0,0,0|1,0,0]=3 7950 B12R1.354 CNC(=O)c1cc(ccc1F)F 11a_106832991635_100000198512 [0,2,0,0,0,0|1,0,0]=3 7951 B12R1.354 CNC(=O)c1cc(ccc1F)F 1626a_100102657272_100000198512 [0,2,0,0,0,0|1,0,0]=3 7952 B12R1.354 CNC(=O)c1cc(ccc1F)F 240690a_100102657272_100000198512 [0,2,0,0,0,0|1,0,0]=3 7953 B12R1.354 CNC(=O)c1cc(ccc1F)F 527a_100102657272_100000198512 [0,2,0,0,0,0|1,0,0]=3 7954 B12R1.354 CNC(=O)c1cc(ccc1F)I 11a_106832991635_100000688014 [0,2,0,0,0,0|1,0,0]=3 7955 B12R1.354 CNC(=O)c1cc(ccc1F)I 1626a_100102657272_100000688014 [0,2,0,0,0,0|1,0,0]=3 7956 B12R1.354 CNC(=O)c1cc(ccc1F)I 240690a_100102657272_100000688014 [0,2,0,0,0,0|1,0,0]=3 7957 B12R1.354 CNC(=O)c1cc(ccc1F)I 527a_100102657272_100000688014 [0,2,0,0,0,0|1,0,0]=3 7958 B12R1.354 CNC(=O)c1cc(ccc1F)O 240690a_100102657272_100000037260 [0,2,0,0,0,0|1,0,0]=3 7959 B12R1.354 CNC(=O)c1cc(ccc1F)O 271570a_203496583355_100000155058 [0,2,0,0,0,0|1,0,0]=3 7960 B12R1.354 CNC(=O)c1cc(ccc1F)O 527a_100102657272_100000037260 [0,2,0,0,0,0|1,0,0]=3 7961 B12R1.354 CNC(=O)c1cc(ccc1I)Br 11a_106832991635_100000183945 [0,2,0,0,0,0|1,0,0]=3 7962 B12R1.354 CNC(=O)c1cc(ccc1I)Br 1626a_100102657272_100000183945 [0,2,0,0,0,0|1,0,0]=3 7963 B12R1.354 CNC(=O)c1cc(ccc1I)Br 240690a_100102657272_100000183945 [0,2,0,0,0,0|1,0,0]=3 7964 B12R1.354 CNC(=O)c1cc(ccc1I)C 11a_106832991635_100000057929 [0,2,0,0,0,0|0,0,0]=2 7965 B12R1.354 CNC(=O)c1cc(ccc1I)C 1626a_100102657272_100000057929 [0,2,0,0,0,0|0,0,0]=2 7966 B12R1.354 CNC(=O)c1cc(ccc1I)C 240690a_100102657272_100000057929 [0,2,0,0,0,0|0,0,0]=2 7967 B12R1.354 CNC(=O)c1cc(ccc1I)C 527a_100102657272_100000057929 [0,2,0,0,0,0|0,0,0]=2 7968 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 11a_106832991635_100000739379 [0,2,0,0,0,0|1,0,0]=3 7969 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 1626a_100102657272_100000739379 [0,2,0,0,0,0|1,0,0]=3 7970 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 240690a_100102657272_100000739379 [0,2,0,0,0,0|1,0,0]=3 7971 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 527a_100102657272_100000739379 [0,2,0,0,0,0|1,0,0]=3 7972 B12R1.354 CNC(=O)c1cc(ccc1I)F 11a_106832991635_100000748905 [0,2,0,0,0,0|1,0,0]=3 7973 B12R1.354 CNC(=O)c1cc(ccc1I)F 1626a_100102657272_100000748905 [0,2,0,0,0,0|1,0,0]=3 7974 B12R1.354 CNC(=O)c1cc(ccc1I)F 240690a_100102657272_100000748905 [0,2,0,0,0,0|1,0,0]=3 7975 B12R1.354 CNC(=O)c1cc(ccc1I)F 527a_100102657272_100000748905 [0,2,0,0,0,0|1,0,0]=3 7976 B12R1.354 CNC(=O)c1cc(ccc1I)I 11a_106832991635_100000750460 [0,2,0,0,0,0|1,0,0]=3 7977 B12R1.354 CNC(=O)c1cc(ccc1I)I 1626a_100102657272_100000750460 [0,2,0,0,0,0|1,0,0]=3 7978 B12R1.354 CNC(=O)c1cc(ccc1I)I 240690a_100102657272_100000750460 [0,2,0,0,0,0|1,0,0]=3 7979 B12R1.354 CNC(=O)c1cc(ccc1I)I 527a_100102657272_100000750460 [0,2,0,0,0,0|1,0,0]=3 7980 B12R1.354 CNC(=O)c1cc(ccc1I)O 1626a_100102657272_200009995701 [0,2,0,0,0,0|1,0,0]=3 7981 B12R1.354 CNC(=O)c1cc(ccc1I)O 240690a_100102657272_200009995701 [0,2,0,0,0,0|1,0,0]=3 7982 B12R1.354 CNC(=O)c1cc(ccc1I)O 527a_100102657272_200009995701 [0,2,0,0,0,0|1,0,0]=3 7983 B12R1.354 CNC(=O)c1cc(ccc1N)O 271570a_203496583355_100000690504 [0,2,0,0,0,0|1,0,0]=3 7984 B12R1.354 CNC(=O)c1cc(ccc1O)Br 1626a_100102657272_100000212140 [0,2,0,0,0,0|1,0,0]=3 7985 B12R1.354 CNC(=O)c1cc(ccc1O)Br 240690a_100102657272_100000212140 [0,2,0,0,0,0|1,0,0]=3 7986 B12R1.354 CNC(=O)c1cc(ccc1O)Br 527a_100102657272_100000212140 [0,2,0,0,0,0|1,0,0]=3 7987 B12R1.354 CNC(=O)c1cc(ccc1O)C 240690a_100102657272_100000229998 [0,2,0,0,0,0|0,0,0]=2 7988 B12R1.354 CNC(=O)c1cc(ccc1O)C 527a_100102657272_100000229998 [0,2,0,0,0,0|0,0,0]=2 7989 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 11a_106832991635_100000212143 [0,2,0,0,0,0|1,0,0]=3 7990 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 1626a_100102657272_100000212143 [0,2,0,0,0,0|1,0,0]=3 7991 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 240690a_100102657272_100000212143 [0,2,0,0,0,0|1,0,0]=3 7992 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 271570a_203496583355_200011279454 [0,2,0,0,0,0|1,0,0]=3 7993 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 527a_100102657272_100000212143 [0,2,0,0,0,0|1,0,0]=3 7994 B12R1.354 CNC(=O)c1cc(ccc1O)F 240690a_100102657272_100000742286 [0,2,0,0,0,0|1,0,0]=3 7995 B12R1.354 CNC(=O)c1cc(ccc1O)F 271570a_203496583355_200000206232 [0,2,0,0,0,0|1,0,0]=3 7996 B12R1.354 CNC(=O)c1cc(ccc1O)F 527a_100102657272_100000742286 [0,2,0,0,0,0|1,0,0]=3 7997 B12R1.354 CNC(=O)c1cc(ccc1O)I 240690a_100102657272_100000212111 [0,2,0,0,0,0|1,0,0]=3 7998 B12R1.354 CNC(=O)c1cc(ccc1O)I 527a_100102657272_100000212111 [0,2,0,0,0,0|1,0,0]=3 7999 B12R1.354 CNC(C)c1cc(ccc1Br)C 269862a_106832991636_100012361225 [0,2,0,0,0,0|1,0,1]=4 8000 B12R1.354 CNC(C)c1cc(ccc1C)C 269862a_106832991636_100000211711 [0,2,0,0,0,0|1,0,1]=4 8001 B12R1.354 CNC(C)c1cc(ccc1F)C 269862a_106832991636_100000760338 [0,2,0,0,0,0|1,0,1]=4 8002 B12R1.354 CNC(C)c1cc(ccc1O)C 269862a_106832991636_100000195442 [0,2,0,0,0,0|1,0,1]=4 8003 B12R1.354 CN[C@@H](C)c1cc(ccc1C)C 2230a_100000695983_200000210301 [0,2,0,0,0,0|1,0,1]=4 8004 B12R1.354 CN[C@@H](C)c1cc(ccc1C)C 34a_100000695983_200000210301 [0,2,0,0,0,0|1,0,1]=4 8005 B12R1.354 COC(=O)c1cc(c[nH]c1=O)O 271570a_203496583355_100009816710 [0,2,0,0,0,0|2,0,0]=4 8006 B12R1.354 COC(=O)c1cc(ccc1Br)O 271570a_203496583355_100012340073 [0,2,0,0,0,0|1,0,0]=3 8007 B12R1.354 COC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360116 [0,2,0,0,0,0|1,0,0]=3 8008 B12R1.354 COC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100012353682 [0,2,0,0,0,0|1,0,0]=3 8009 B12R1.354 COC(=O)c1cc(ccc1F)O 271570a_203496583355_100000154357 [0,2,0,0,0,0|1,0,0]=3 8010 B12R1.354 COC(=O)c1cc(ccc1N)O 271570a_203496583355_100000212070 [0,2,0,0,0,0|1,0,0]=3 8011 B12R1.354 COC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000148213 [0,2,0,0,0,0|1,0,0]=3 8012 B12R1.354 COC(=O)c1cc(ccc1O)C 271570a_203496583355_100012339458 [0,2,0,0,0,0|0,0,0]=2 8013 B12R1.354 COC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294804 [0,2,0,0,0,0|1,0,0]=3 8014 B12R1.354 COC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205820 [0,2,0,0,0,0|1,0,0]=3 8015 B12R1.354 COC(=O)c1cc(ccc1O)N 271570a_203496583355_100000696289 [0,2,0,0,0,0|1,0,0]=3 8016 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100000149868 [0,2,0,0,0,0|1,0,0]=3 8017 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100010230369 [0,2,0,0,0,0|1,0,0]=3 8018 B12R1.354 COC(=O)c1cc(cnc1C)O 271570a_203496583355_100010180201 [0,2,0,0,0,0|2,0,0]=4 8019 B12R1.354 COC(=O)c1cc(cnc1F)O 271570a_203496583355_100010243567 [0,2,0,0,0,0|2,0,0]=4 8020 B12R1.354 COC(=O)c1cc(cnc1N)O 271570a_203496583355_100009816750 [0,2,0,0,0,0|2,0,0]=4 8021 B12R1.354 COC(=O)c1cc(cnc1O)C 271570a_203496583355_100000085774 [0,2,0,0,0,0|1,0,0]=3 8022 B12R1.354 COC(=O)c1cc(cnc1O)F 271570a_203496583355_100012000215 [0,2,0,0,0,0|2,0,0]=4 8023 B12R1.354 COC(=O)c1cc(cnc1O)N 271570a_203496583355_200012182668 [0,2,0,0,0,0|2,0,0]=4 8024 B12R1.354 COC(=O)c1cc(ncc1C)O 271570a_203496583355_100009858526 [0,2,0,0,0,0|2,0,0]=4 8025 B12R1.354 COC(=O)c1cc(ncc1F)O 271570a_203496583355_100010218257 [0,2,0,0,0,0|2,0,0]=4 8026 B12R1.354 COC(=O)c1cc(ncc1N)O 271570a_203496583355_100012180746 [0,2,0,0,0,0|2,0,0]=4 8027 B12R1.354 COC(=O)c1cc(ncc1O)N 271570a_203496583355_100011934820 [0,2,0,0,0,0|2,0,0]=4 8028 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100009816900 [0,2,0,0,0,0|2,0,0]=4 8029 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100010136202 [0,2,0,0,0,0|2,0,0]=4 8030 B12R1.354 COC(=O)c1nc(ccc1C)O 271570a_203496583355_100000117997 [0,2,0,0,0,0|2,0,0]=4 8031 B12R1.354 COC(=O)c1nc(ccc1F)O 271570a_203496583355_100000697719 [0,2,0,0,0,0|2,0,0]=4 8032 B12R1.354 COC(=O)c1nc(ccc1N)O 271570a_203496583355_100009860768 [0,2,0,0,0,0|2,0,0]=4 8033 B12R1.354 COC(=O)c1nc(ccc1O)N 271570a_203496583355_100009816986 [0,2,0,0,0,0|2,0,0]=4 8034 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100000697862 [0,2,0,0,0,0|2,0,0]=4 8035 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100010189638 [0,2,0,0,0,0|2,0,0]=4 8036 B12R1.354 COC(C)c1cc(ccc1C)C 34a_200000246511_200000210301 [0,2,0,0,0,0|0,0,2]=4 8037 B12R1.354 COC(C)c1cc(ccc1C)C 7a_200000246511_200000210301 [0,2,0,0,0,0|0,0,2]=4 8038 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Br 1458a_100000689033_100015361967 [0,2,0,0,0,0|0,0,0]=2 8039 B12R1.354 Cc1ccc(c(c1)C(=O)CF)C 1458a_100000195421_100015361967 [0,2,0,0,0,0|0,0,0]=2 8040 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Cl 1458a_100011290873_100015361967 [0,2,0,0,0,0|0,0,0]=2 8041 B12R1.354 Cc1ccc(c(c1)C(=O)CF)F 1458a_100000749327_100015361967 [0,2,0,0,0,0|0,0,0]=2 8042 B12R1.354 Cc1ccc(c(c1)C(=O)CF)I 1458a_100000057929_100015361967 [0,2,0,0,0,0|0,0,0]=2 8043 B12R1.354 Cc1ccc(c(c1)C(=O)CF)O 1458a_100000229998_100015361967 [0,2,0,0,0,0|0,0,0]=2 8044 B12R1.354 Cc1ccc(c(c1)C(C)O[13CH3])C 34a_200000246511_200025704644 [0,2,0,0,0,0|0,0,2]=4 8045 B12R1.354 Cc1ccc(c(c1)C(C)O[13CH3])C 7a_200000246511_200025704644 [0,2,0,0,0,0|0,0,2]=4 8046 B12R1.354 Cc1ccc(c(c1)[C@H](C)N[13CH3])C 2230a_100000695983_200025704644 [0,2,0,0,0,0|1,0,1]=4 8047 B12R1.354 Cc1ccc(c(c1)[C@H](C)N[13CH3])C 34a_100000695983_200025704644 [0,2,0,0,0,0|1,0,1]=4 8048 B12R1.354 Cc1ccc(cc1C(=O)CF)Br 1458a_100000759961_100015361967 [0,2,0,0,0,0|1,0,0]=3 8049 B12R1.354 Cc1ccc(cc1C(=O)CF)Cl 1458a_100000692595_100015361967 [0,2,0,0,0,0|1,0,0]=3 8050 B12R1.354 Cc1ccc(cc1C(=O)CF)F 1458a_100000240043_100015361967 [0,2,0,0,0,0|1,0,0]=3 8051 B12R1.354 Cc1ccc(cc1C(=O)CF)I 1458a_100000688012_100015361967 [0,2,0,0,0,0|1,0,0]=3 8052 B12R1.354 Cc1ccc(cc1C(=O)CF)O 1458a_100000687834_100015361967 [0,2,0,0,0,0|1,0,0]=3 8053 B12R1.354 NNC(=O)c1cc(ccc1Br)O 271570a_203496583355_200011356971 [0,2,0,0,0,0|2,0,0]=4 8054 B12R1.354 NNC(=O)c1cc(ccc1Cl)O 271570a_203496583355_200000049959 [0,2,0,0,0,0|2,0,0]=4 8055 B12R1.354 NNC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205862 [0,2,0,0,0,0|2,0,0]=4 8056 B12R1.354 NNC(=O)c1cc(ccc1O)O 271570a_203496583355_100000193350 [0,2,0,0,0,0|2,0,0]=4 8057 B12R1.354 O=C(CF)c1cc(ccc1Br)Br 1458a_100000690610_100015361967 [0,2,0,0,0,0|1,0,0]=3 8058 B12R1.354 O=C(CF)c1cc(ccc1Br)Cl 1458a_100000736951_100015361967 [0,2,0,0,0,0|1,0,0]=3 8059 B12R1.354 O=C(CF)c1cc(ccc1Br)F 1458a_100000212315_100015361967 [0,2,0,0,0,0|1,0,0]=3 8060 B12R1.354 O=C(CF)c1cc(ccc1Br)I 1458a_100000698340_100015361967 [0,2,0,0,0,0|1,0,0]=3 8061 B12R1.354 O=C(CF)c1cc(ccc1Br)O 1458a_100012352043_100015361967 [0,2,0,0,0,0|1,0,0]=3 8062 B12R1.354 O=C(CF)c1cc(ccc1Cl)Br 1458a_100000211212_100015361967 [0,2,0,0,0,0|1,0,0]=3 8063 B12R1.354 O=C(CF)c1cc(ccc1Cl)Cl 1458a_100000210642_100015361967 [0,2,0,0,0,0|1,0,0]=3 8064 B12R1.354 O=C(CF)c1cc(ccc1Cl)F 1458a_100011219680_100015361967 [0,2,0,0,0,0|1,0,0]=3 8065 B12R1.354 O=C(CF)c1cc(ccc1Cl)I 1458a_100000688013_100015361967 [0,2,0,0,0,0|1,0,0]=3 8066 B12R1.354 O=C(CF)c1cc(ccc1Cl)O 1458a_100000719527_100015361967 [0,2,0,0,0,0|1,0,0]=3 8067 B12R1.354 O=C(CF)c1cc(ccc1F)Br 1458a_100000212322_100015361967 [0,2,0,0,0,0|1,0,0]=3 8068 B12R1.354 O=C(CF)c1cc(ccc1F)Cl 1458a_100000214954_100015361967 [0,2,0,0,0,0|1,0,0]=3 8069 B12R1.354 O=C(CF)c1cc(ccc1F)F 1458a_100000198512_100015361967 [0,2,0,0,0,0|1,0,0]=3 8070 B12R1.354 O=C(CF)c1cc(ccc1F)I 1458a_100000688014_100015361967 [0,2,0,0,0,0|1,0,0]=3 8071 B12R1.354 O=C(CF)c1cc(ccc1F)O 1458a_100000037260_100015361967 [0,2,0,0,0,0|1,0,0]=3 8072 B12R1.354 O=C(CF)c1cc(ccc1I)Br 1458a_100000183945_100015361967 [0,2,0,0,0,0|1,0,0]=3 8073 B12R1.354 O=C(CF)c1cc(ccc1I)Cl 1458a_100000739379_100015361967 [0,2,0,0,0,0|1,0,0]=3 8074 B12R1.354 O=C(CF)c1cc(ccc1I)F 1458a_100000748905_100015361967 [0,2,0,0,0,0|1,0,0]=3 8075 B12R1.354 O=C(CF)c1cc(ccc1I)I 1458a_100000750460_100015361967 [0,2,0,0,0,0|1,0,0]=3 8076 B12R1.354 O=C(CF)c1cc(ccc1I)O 1458a_200009995701_100015361967 [0,2,0,0,0,0|1,0,0]=3 8077 B12R1.354 O=C(CF)c1cc(ccc1O)Br 1458a_100000212140_100015361967 [0,2,0,0,0,0|1,0,0]=3 8078 B12R1.354 O=C(CF)c1cc(ccc1O)Cl 1458a_100000212143_100015361967 [0,2,0,0,0,0|1,0,0]=3 8079 B12R1.354 O=C(CF)c1cc(ccc1O)F 1458a_100000742286_100015361967 [0,2,0,0,0,0|1,0,0]=3 8080 B12R1.354 O=C(CF)c1cc(ccc1O)I 1458a_100000212111_100015361967 [0,2,0,0,0,0|1,0,0]=3 8081 B12R1.354 O=C(CF)c1cc(ccc1O)O 1458a_100000758025_100015361967 [0,2,0,0,0,0|1,0,0]=3 8082 B12R1.358 CCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000210202 [0,2,0,0,0,0|1,0,0]=3 8083 B12R1.358 CCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210202 [0,2,0,0,0,0|0,0,0]=2 8084 B12R1.358 CCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000210202 [0,2,0,0,0,0|1,0,0]=3 8085 B12R1.358 CCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000210202 [0,2,0,0,0,0|1,0,0]=3 8086 B12R1.358 CCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210202 [0,2,0,0,0,0|1,0,0]=3 8087 B12R1.358 CCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210202 [0,2,0,0,0,0|0,0,0]=2 8088 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210202 [0,2,0,0,0,0|0,0,0]=2 8089 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000210202 [0,2,0,0,0,0|1,0,0]=3 8090 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000210202 [0,2,0,0,0,0|1,0,0]=3 8091 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210202 [0,2,0,0,0,0|1,0,0]=3 8092 B12R1.358 CCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210202 [0,2,0,0,0,0|0,0,0]=2 8093 B12R1.358 CCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000210202 [0,2,0,0,0,0|1,0,0]=3 8094 B12R1.358 CCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210202 [0,2,0,0,0,0|1,0,0]=3 8095 B12R1.358 CCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000210202 [0,2,0,0,0,0|1,0,0]=3 8096 B12R1.358 CCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210202 [0,2,0,0,0,0|0,0,0]=2 8097 B12R1.358 CCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000210202 [0,2,0,0,0,0|1,0,0]=3 8098 B12R1.358 CCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000210202 [0,2,0,0,0,0|1,0,0]=3 8099 B12R1.358 CCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000210202 [0,2,0,0,0,0|1,0,0]=3 8100 B12R1.358 CCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210202 [0,2,0,0,0,0|0,0,0]=2 8101 B12R1.358 CCN(C)c1cc(cc(c1)C)C 2230a_100000743038_200000210301 [0,2,0,0,0,0|2,0,0]=4 8102 B12R1.358 CCN(C)c1cc(cc(c1)C)C 269982a_100000743038_200000210301 [0,2,0,0,0,0|2,0,0]=4 8103 B12R1.358 CCN(C)c1cc(cc(c1)C)C 34a_100000743038_200000210301 [0,2,0,0,0,0|2,0,0]=4 8104 B12R1.358 CCN(C)c1cc(cc(c1)C)C 7a_100000743038_200000210301 [0,2,0,0,0,0|2,0,0]=4 8105 B12R1.358 CCN(C)c1cc(cc(c1)F)C 2230a_103496528823_100000210202 [0,2,0,0,0,0|2,0,0]=4 8106 B12R1.358 CCN(C)c1cc(cc(c1)F)C 269982a_103496528823_100000204670 [0,2,0,0,0,0|2,0,0]=4 8107 B12R1.358 CCN(C)c1cc(cc(c1)F)C 34a_103496528823_100000210202 [0,2,0,0,0,0|2,0,0]=4 8108 B12R1.358 CCN(C)c1cc(cc(c1)F)C 38a_103496528823_100000204670 [0,2,0,0,0,0|2,0,0]=4 8109 B12R1.358 CCN(C)c1cc(cc(c1)F)C 7a_103496528823_100000210202 [0,2,0,0,0,0|2,0,0]=4 8110 B12R1.358 CCN([13CH3])c1cc(cc(c1)C)C 2230a_100000743038_200025704644 [0,2,0,0,0,0|2,0,0]=4 8111 B12R1.358 CCN([13CH3])c1cc(cc(c1)C)C 269982a_100000743038_200025704644 [0,2,0,0,0,0|2,0,0]=4 8112 B12R1.358 CCN([13CH3])c1cc(cc(c1)C)C 34a_100000743038_200025704644 [0,2,0,0,0,0|2,0,0]=4 8113 B12R1.358 CCN([13CH3])c1cc(cc(c1)C)C 7a_100000743038_200025704644 [0,2,0,0,0,0|2,0,0]=4 8114 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 11a_106832991635_100000687083 [0,2,0,0,0,0|1,0,0]=3 8115 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 1626a_100102657272_100000687083 [0,2,0,0,0,0|1,0,0]=3 8116 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 240690a_100102657272_100000687083 [0,2,0,0,0,0|1,0,0]=3 8117 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 527a_100102657272_100000687083 [0,2,0,0,0,0|1,0,0]=3 8118 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 11a_106832991635_100000760426 [0,2,0,0,0,0|0,0,0]=2 8119 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 1626a_100102657272_100000760426 [0,2,0,0,0,0|0,0,0]=2 8120 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 240690a_100102657272_100000760426 [0,2,0,0,0,0|0,0,0]=2 8121 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 527a_100102657272_100000760426 [0,2,0,0,0,0|0,0,0]=2 8122 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 11a_106832991635_100000687899 [0,2,0,0,0,0|1,0,0]=3 8123 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 1626a_100102657272_100000687899 [0,2,0,0,0,0|1,0,0]=3 8124 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 240690a_100102657272_100000687899 [0,2,0,0,0,0|1,0,0]=3 8125 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 527a_100102657272_100000687899 [0,2,0,0,0,0|1,0,0]=3 8126 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 11a_106832991635_100000739618 [0,2,0,0,0,0|1,0,0]=3 8127 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 1626a_100102657272_100000739618 [0,2,0,0,0,0|1,0,0]=3 8128 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 240690a_100102657272_100000739618 [0,2,0,0,0,0|1,0,0]=3 8129 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 527a_100102657272_100000739618 [0,2,0,0,0,0|1,0,0]=3 8130 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O 240690a_100102657272_100011934545 [0,2,0,0,0,0|1,0,0]=3 8131 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O 527a_100102657272_100011934545 [0,2,0,0,0,0|1,0,0]=3 8132 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 11a_106832991635_100000210874 [0,2,0,0,0,0|0,0,0]=2 8133 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 1626a_100102657272_100000210874 [0,2,0,0,0,0|0,0,0]=2 8134 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 240690a_100102657272_100000210874 [0,2,0,0,0,0|0,0,0]=2 8135 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 527a_100102657272_100000210874 [0,2,0,0,0,0|0,0,0]=2 8136 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 11a_106832991635_100000684526 [0,2,0,0,0,0|0,0,0]=2 8137 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 1626a_100102657272_100000684526 [0,2,0,0,0,0|0,0,0]=2 8138 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 240690a_100102657272_100000684526 [0,2,0,0,0,0|0,0,0]=2 8139 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 527a_100102657272_100000684526 [0,2,0,0,0,0|0,0,0]=2 8140 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 11a_106832991635_100000210701 [0,2,0,0,0,0|1,0,0]=3 8141 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 1626a_100102657272_100000210701 [0,2,0,0,0,0|1,0,0]=3 8142 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100102657272_100000210701 [0,2,0,0,0,0|1,0,0]=3 8143 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 527a_100102657272_100000210701 [0,2,0,0,0,0|1,0,0]=3 8144 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 11a_106832991635_100000685768 [0,2,0,0,0,0|1,0,0]=3 8145 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 1626a_100102657272_100000685768 [0,2,0,0,0,0|1,0,0]=3 8146 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 240690a_100102657272_100000685768 [0,2,0,0,0,0|1,0,0]=3 8147 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 527a_100102657272_100000685768 [0,2,0,0,0,0|1,0,0]=3 8148 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O 240690a_100102657272_100011997059 [0,2,0,0,0,0|1,0,0]=3 8149 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O 527a_100102657272_100011997059 [0,2,0,0,0,0|1,0,0]=3 8150 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 11a_106832991635_100000763163 [0,2,0,0,0,0|0,0,0]=2 8151 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 1626a_100102657272_100000763163 [0,2,0,0,0,0|0,0,0]=2 8152 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 240690a_100102657272_100000763163 [0,2,0,0,0,0|0,0,0]=2 8153 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 527a_100102657272_100000763163 [0,2,0,0,0,0|0,0,0]=2 8154 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 11a_106832991635_100000211655 [0,2,0,0,0,0|1,0,0]=3 8155 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 1626a_100102657272_100000211655 [0,2,0,0,0,0|1,0,0]=3 8156 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 240690a_100102657272_100000211655 [0,2,0,0,0,0|1,0,0]=3 8157 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 527a_100102657272_100000211655 [0,2,0,0,0,0|1,0,0]=3 8158 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 11a_106832991635_100012017291 [0,2,0,0,0,0|1,0,0]=3 8159 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 240690a_100102657272_100012017291 [0,2,0,0,0,0|1,0,0]=3 8160 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011295653 [0,2,0,0,0,0|1,0,0]=3 8161 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 527a_100102657272_100012017291 [0,2,0,0,0,0|1,0,0]=3 8162 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 11a_106832991635_100000689235 [0,2,0,0,0,0|1,0,0]=3 8163 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 1626a_100102657272_100000689235 [0,2,0,0,0,0|1,0,0]=3 8164 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 240690a_100102657272_100000689235 [0,2,0,0,0,0|1,0,0]=3 8165 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 527a_100102657272_100000689235 [0,2,0,0,0,0|1,0,0]=3 8166 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 11a_106832991635_100000729426 [0,2,0,0,0,0|0,0,0]=2 8167 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 1626a_100102657272_100000729426 [0,2,0,0,0,0|0,0,0]=2 8168 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 240690a_100102657272_100000729426 [0,2,0,0,0,0|0,0,0]=2 8169 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 527a_100102657272_100000729426 [0,2,0,0,0,0|0,0,0]=2 8170 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 11a_106832991635_100012047205 [0,2,0,0,0,0|1,0,0]=3 8171 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 1626a_100102657272_100012047205 [0,2,0,0,0,0|1,0,0]=3 8172 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 240690a_100102657272_100012047205 [0,2,0,0,0,0|1,0,0]=3 8173 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 527a_100102657272_100012047205 [0,2,0,0,0,0|1,0,0]=3 8174 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 11a_106832991635_100012047268 [0,2,0,0,0,0|1,0,0]=3 8175 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 1626a_100102657272_100012047268 [0,2,0,0,0,0|1,0,0]=3 8176 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 240690a_100102657272_100012047268 [0,2,0,0,0,0|1,0,0]=3 8177 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 527a_100102657272_100012047268 [0,2,0,0,0,0|1,0,0]=3 8178 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 11a_106832991635_100011204819 [0,2,0,0,0,0|1,0,0]=3 8179 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 1626a_100102657272_100011204819 [0,2,0,0,0,0|1,0,0]=3 8180 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 240690a_100102657272_100011204819 [0,2,0,0,0,0|1,0,0]=3 8181 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 527a_100102657272_100011204819 [0,2,0,0,0,0|1,0,0]=3 8182 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 240690a_100102657272_100000094094 [0,2,0,0,0,0|0,0,0]=2 8183 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 527a_100102657272_100000094094 [0,2,0,0,0,0|0,0,0]=2 8184 B12R1.358 CNC(=O)c1cc(cc(c1)O)O 240690a_100102657272_100000690292 [0,2,0,0,0,0|1,0,0]=3 8185 B12R1.358 CNC(=O)c1cc(cc(c1)O)O 527a_100102657272_100000690292 [0,2,0,0,0,0|1,0,0]=3 8186 B12R1.358 CNC(C)c1cc(cc(c1)Br)C 269862a_106832991636_100000694479 [0,2,0,0,0,0|1,0,1]=4 8187 B12R1.358 CNC(C)c1cc(cc(c1)C)C 2230a_100000753145_200000210301 [0,2,0,0,0,0|1,0,1]=4 8188 B12R1.358 CNC(C)c1cc(cc(c1)C)C 269862a_106832991636_100000753124 [0,2,0,0,0,0|1,0,1]=4 8189 B12R1.358 CNC(C)c1cc(cc(c1)C)C 34a_100000753145_200000210301 [0,2,0,0,0,0|1,0,1]=4 8190 B12R1.358 CNC(C)c1cc(cc(c1)F)C 269862a_106832991636_100011830400 [0,2,0,0,0,0|1,0,1]=4 8191 B12R1.358 CNC(C)c1cc(cc(c1)O)C 269862a_106832991636_100009855872 [0,2,0,0,0,0|1,0,1]=4 8192 B12R1.358 COC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100012339729 [0,2,0,0,0,0|1,0,0]=3 8193 B12R1.358 COC(=O)c1cc(cc(c1)Cl)O 271570a_203496583355_100000695173 [0,2,0,0,0,0|1,0,0]=3 8194 B12R1.358 COC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100000698578 [0,2,0,0,0,0|1,0,0]=3 8195 B12R1.358 COC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100012359405 [0,2,0,0,0,0|0,0,0]=2 8196 B12R1.358 COC(=O)c1cc(cc(c1)O)N 271570a_203496583355_100138415615 [0,2,0,0,0,0|1,0,0]=3 8197 B12R1.358 COC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100000696291 [0,2,0,0,0,0|1,0,0]=3 8198 B12R1.358 COC(=O)c1cc(cc(n1)O)C 271570a_203496583355_100009865194 [0,2,0,0,0,0|1,0,0]=3 8199 B12R1.358 COC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100000695393 [0,2,0,0,0,0|1,0,0]=3 8200 B12R1.358 COC(=O)c1cc(nc(c1)O)N 271570a_203496583355_100000062536 [0,2,0,0,0,0|2,0,0]=4 8201 B12R1.358 COC(=O)c1cc(nc(n1)O)C 271570a_203496583355_100000724386 [0,2,0,0,0,0|2,0,0]=4 8202 B12R1.358 Cc1cc(cc(c1)C(=O)CF)Br 1458a_100000760426_100015361967 [0,2,0,0,0,0|0,0,0]=2 8203 B12R1.358 Cc1cc(cc(c1)C(=O)CF)C 1458a_100000210874_100015361967 [0,2,0,0,0,0|0,0,0]=2 8204 B12R1.358 Cc1cc(cc(c1)C(=O)CF)Cl 1458a_100000684526_100015361967 [0,2,0,0,0,0|0,0,0]=2 8205 B12R1.358 Cc1cc(cc(c1)C(=O)CF)F 1458a_100000763163_100015361967 [0,2,0,0,0,0|0,0,0]=2 8206 B12R1.358 Cc1cc(cc(c1)C(=O)CF)I 1458a_100000729426_100015361967 [0,2,0,0,0,0|0,0,0]=2 8207 B12R1.358 Cc1cc(cc(c1)C(=O)CF)O 1458a_100000094094_100015361967 [0,2,0,0,0,0|0,0,0]=2 8208 B12R1.358 Cc1cc(cc(c1)C(C)N[13CH3])C 2230a_100000753145_200025704644 [0,2,0,0,0,0|1,0,1]=4 8209 B12R1.358 Cc1cc(cc(c1)C(C)N[13CH3])C 34a_100000753145_200025704644 [0,2,0,0,0,0|1,0,1]=4 8210 B12R1.358 Cc1cc(cc(c1)N(C)CF)F 269982a_103496528823_100015361967 [0,2,0,0,0,0|2,0,0]=4 8211 B12R1.358 Cc1cc(cc(c1)N(C)CF)F 34a_103496528823_100015361967 [0,2,0,0,0,0|2,0,0]=4 8212 B12R1.358 Cc1cc(cc(c1)N(C)CF)F 38a_103496528823_100015361967 [0,2,0,0,0,0|2,0,0]=4 8213 B12R1.358 Cc1cc(cc(c1)N(C)CF)F 7a_103496528823_100015361967 [0,2,0,0,0,0|2,0,0]=4 8214 B12R1.358 NNC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100011279999 [0,2,0,0,0,0|2,0,0]=4 8215 B12R1.358 O=C(CF)c1cc(cc(c1)Br)Br 1458a_100000687083_100015361967 [0,2,0,0,0,0|1,0,0]=3 8216 B12R1.358 O=C(CF)c1cc(cc(c1)Br)Cl 1458a_100000687899_100015361967 [0,2,0,0,0,0|1,0,0]=3 8217 B12R1.358 O=C(CF)c1cc(cc(c1)Br)F 1458a_100000739618_100015361967 [0,2,0,0,0,0|1,0,0]=3 8218 B12R1.358 O=C(CF)c1cc(cc(c1)Br)O 1458a_100011934545_100015361967 [0,2,0,0,0,0|1,0,0]=3 8219 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100015361967 [0,2,0,0,0,0|1,0,0]=3 8220 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)F 1458a_100000685768_100015361967 [0,2,0,0,0,0|1,0,0]=3 8221 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)O 1458a_100011997059_100015361967 [0,2,0,0,0,0|1,0,0]=3 8222 B12R1.358 O=C(CF)c1cc(cc(c1)F)F 1458a_100000211655_100015361967 [0,2,0,0,0,0|1,0,0]=3 8223 B12R1.358 O=C(CF)c1cc(cc(c1)F)O 1458a_100012017291_100015361967 [0,2,0,0,0,0|1,0,0]=3 8224 B12R1.358 O=C(CF)c1cc(cc(c1)I)Br 1458a_100000689235_100015361967 [0,2,0,0,0,0|1,0,0]=3 8225 B12R1.358 O=C(CF)c1cc(cc(c1)I)Cl 1458a_100012047205_100015361967 [0,2,0,0,0,0|1,0,0]=3 8226 B12R1.358 O=C(CF)c1cc(cc(c1)I)F 1458a_100012047268_100015361967 [0,2,0,0,0,0|1,0,0]=3 8227 B12R1.358 O=C(CF)c1cc(cc(c1)I)I 1458a_100011204819_100015361967 [0,2,0,0,0,0|1,0,0]=3 8228 B12R1.435 C#Cc1cccc(c1)C(=O)CC 1458a_100011997762_100000210202 [0,2,0,0,0,0|0,0,1]=3 8229 B12R1.435 C#Cc1cccc(c1)C(=O)CF 1458a_100011997762_100015361967 [0,2,0,0,0,0|0,0,1]=3 8230 B12R1.435 C#Cc1cccc(c1)C(=O)NC 11a_106832991635_100011997762 [0,2,0,0,0,0|0,0,1]=3 8231 B12R1.435 C#Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011997762 [0,2,0,0,0,0|0,0,1]=3 8232 B12R1.435 C#Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011997762 [0,2,0,0,0,0|0,0,1]=3 8233 B12R1.435 C#Cc1cccc(c1)C(=O)NC 527a_100102657272_100011997762 [0,2,0,0,0,0|0,0,1]=3 8234 B12R1.435 C=Cc1cc(ccn1)C(=O)NC 271570a_100011290941_100011196506 [0,2,0,0,0,0|1,0,1]=4 8235 B12R1.435 C=Cc1cc(ccn1)C(=O)OC 271570a_100011290941_100011934382 [0,2,0,0,0,0|1,0,1]=4 8236 B12R1.435 C=Cc1cccc(c1)C(=O)C#N 271570a_100011290941_100010169886 [0,2,0,0,0,0|0,0,2]=4 8237 B12R1.435 C=Cc1cccc(c1)C(=O)C=O 271570a_100011290941_100000726164 [0,2,0,0,0,0|0,0,2]=4 8238 B12R1.435 C=Cc1cccc(c1)C(=O)CC 1458a_100011215009_100000210202 [0,2,0,0,0,0|0,0,1]=3 8239 B12R1.435 C=Cc1cccc(c1)C(=O)CC 271570a_100011290941_100000211677 [0,2,0,0,0,0|0,0,1]=3 8240 B12R1.435 C=Cc1cccc(c1)C(=O)CF 1458a_100011215009_100015361967 [0,2,0,0,0,0|0,0,1]=3 8241 B12R1.435 C=Cc1cccc(c1)C(=O)CN 271570a_100011290941_100020587001 [0,2,0,0,0,0|0,0,1]=3 8242 B12R1.435 C=Cc1cccc(c1)C(=O)NC 11a_106832991635_100011215009 [0,2,0,0,0,0|0,0,1]=3 8243 B12R1.435 C=Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011215009 [0,2,0,0,0,0|0,0,1]=3 8244 B12R1.435 C=Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011215009 [0,2,0,0,0,0|0,0,1]=3 8245 B12R1.435 C=Cc1cccc(c1)C(=O)NC 271570a_100011290941_100000155082 [0,2,0,0,0,0|0,0,1]=3 8246 B12R1.435 C=Cc1cccc(c1)C(=O)NC 527a_100102657272_100011215009 [0,2,0,0,0,0|0,0,1]=3 8247 B12R1.435 C=Cc1cccc(c1)C(=O)NN 271570a_100011290941_100000189783 [0,2,0,0,0,0|1,0,1]=4 8248 B12R1.435 C=Cc1cccc(c1)C(=O)OC 271570a_100011290941_100000148679 [0,2,0,0,0,0|0,0,1]=3 8249 B12R1.435 C=Cc1cccc(n1)C(=O)CC 271570a_100011290941_100011004013 [0,2,0,0,0,0|1,0,1]=4 8250 B12R1.435 C=Cc1cccc(n1)C(=O)NC 271570a_100011290941_100000755456 [0,2,0,0,0,0|1,0,1]=4 8251 B12R1.435 C=Cc1cccc(n1)C(=O)OC 271570a_100011290941_100000708286 [0,2,0,0,0,0|1,0,1]=4 8252 B12R1.435 C=Cc1ccnc(c1)C(=O)CC 271570a_100011290941_200000094848 [0,2,0,0,0,0|1,0,1]=4 8253 B12R1.435 C=Cc1ccnc(c1)C(=O)NC 271570a_100011290941_100000204654 [0,2,0,0,0,0|1,0,1]=4 8254 B12R1.435 C=Cc1ccnc(c1)C(=O)OC 271570a_100011290941_100000693414 [0,2,0,0,0,0|1,0,1]=4 8255 B12R1.435 C=Cc1cncc(c1)C(=O)NC 271570a_100011290941_200000155086 [0,2,0,0,0,0|1,0,1]=4 8256 B12R1.435 C=Cc1cncc(c1)C(=O)OC 271570a_100011290941_100000148912 [0,2,0,0,0,0|1,0,1]=4 8257 B12R1.435 CC(=NN)c1cccc(c1)O[13CH3] 34a_100000689795_200025704644 [0,2,0,0,0,0|1,0,0]=3 8258 B12R1.435 CCC(=O)c1cc(ccn1)SC 62a_200000094848_200000210301 [0,2,0,0,0,0|1,0,0]=3 8259 B12R1.435 CCC(=O)c1cc(ccn1)SC 62a_200000210301_200000094848 [0,2,0,0,0,0|1,0,0]=3 8260 B12R1.435 CCC(=O)c1cc(ccn1)S[13CH3] 62a_200000094848_200025704644 [0,2,0,0,0,0|1,0,0]=3 8261 B12R1.435 CCC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_200000094848 [0,2,0,0,0,0|1,0,0]=3 8262 B12R1.435 CCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000210202 [0,2,0,0,0,0|0,0,1]=3 8263 B12R1.435 CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210202 [0,2,0,0,0,0|0,0,0]=2 8264 B12R1.435 CCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210202 [0,2,0,0,0,0|0,0,0]=2 8265 B12R1.435 CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210202 [0,2,0,0,0,0|0,0,0]=2 8266 B12R1.435 CCC(=O)c1cccc(c1)OC 34a_100011996911_200000210301 [0,2,0,0,0,0|0,0,0]=2 8267 B12R1.435 CCC(=O)c1cccc(c1)OC 7a_100011996911_200000210301 [0,2,0,0,0,0|0,0,0]=2 8268 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 34a_100011996911_200025704644 [0,2,0,0,0,0|0,0,0]=2 8269 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 7a_100011996911_200025704644 [0,2,0,0,0,0|0,0,0]=2 8270 B12R1.435 CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210202 [0,2,0,0,0,0|0,0,0]=2 8271 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_100000211677_200000210301 [0,2,0,0,0,0|0,0,0]=2 8272 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_200000210301_100000211677 [0,2,0,0,0,0|0,0,0]=2 8273 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_100000211677_200025704644 [0,2,0,0,0,0|0,0,0]=2 8274 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000211677 [0,2,0,0,0,0|0,0,0]=2 8275 B12R1.435 CCC(=O)c1cccc(n1)SC 62a_100011004013_200000210301 [0,2,0,0,0,0|1,0,0]=3 8276 B12R1.435 CCC(=O)c1cccc(n1)SC 62a_200000210301_100011004013 [0,2,0,0,0,0|1,0,0]=3 8277 B12R1.435 CCC(=O)c1cccc(n1)S[13CH3] 62a_100011004013_200025704644 [0,2,0,0,0,0|1,0,0]=3 8278 B12R1.435 CCC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100011004013 [0,2,0,0,0,0|1,0,0]=3 8279 B12R1.435 CCC(N)c1cccc(c1)OC 34a_100159312145_200000210301 [0,2,0,0,0,0|1,0,1]=4 8280 B12R1.435 CCC(N)c1cccc(c1)O[13CH3] 34a_100159312145_200025704644 [0,2,0,0,0,0|1,0,1]=4 8281 B12R1.435 CCC(O)c1cccc(c1)SC 62a_200000210301_200013212081 [0,2,0,0,0,0|0,0,2]=4 8282 B12R1.435 CCC(O)c1cccc(c1)SC 62a_200013212081_200000210301 [0,2,0,0,0,0|0,0,2]=4 8283 B12R1.435 CCC(O)c1cccc(c1)S[13CH3] 62a_200013212081_200025704644 [0,2,0,0,0,0|0,0,2]=4 8284 B12R1.435 CCC(O)c1cccc(c1)S[13CH3] 62a_200025704644_200013212081 [0,2,0,0,0,0|0,0,2]=4 8285 B12R1.435 CCN(C)c1cccc(c1)OC 2230a_100000219725_100000210202 [0,2,0,0,0,0|2,0,0]=4 8286 B12R1.435 CCN(C)c1cccc(c1)OC 2230a_100000219733_200000210301 [0,2,0,0,0,0|2,0,0]=4 8287 B12R1.435 CCN(C)c1cccc(c1)OC 269982a_100000219725_100000204670 [0,2,0,0,0,0|2,0,0]=4 8288 B12R1.435 CCN(C)c1cccc(c1)OC 269982a_100000219733_200000210301 [0,2,0,0,0,0|2,0,0]=4 8289 B12R1.435 CCN(C)c1cccc(c1)OC 34a_100000219725_100000210202 [0,2,0,0,0,0|2,0,0]=4 8290 B12R1.435 CCN(C)c1cccc(c1)OC 34a_100000219733_200000210301 [0,2,0,0,0,0|2,0,0]=4 8291 B12R1.435 CCN(C)c1cccc(c1)SC 2230a_100020672454_100000210202 [0,2,0,0,0,0|2,0,0]=4 8292 B12R1.435 CCN(C)c1cccc(c1)SC 269982a_100020672454_100000204670 [0,2,0,0,0,0|2,0,0]=4 8293 B12R1.435 CCN(C)c1cccc(c1)SC 34a_100020672454_100000210202 [0,2,0,0,0,0|2,0,0]=4 8294 B12R1.435 CCN([13CH3])c1cccc(c1)OC 2230a_100000219733_200025704644 [0,2,0,0,0,0|2,0,0]=4 8295 B12R1.435 CCN([13CH3])c1cccc(c1)OC 269982a_100000219733_200025704644 [0,2,0,0,0,0|2,0,0]=4 8296 B12R1.435 CCN([13CH3])c1cccc(c1)OC 34a_100000219733_200025704644 [0,2,0,0,0,0|2,0,0]=4 8297 B12R1.435 CC[C@H](N)c1cccc(c1)SC 62a_100102422761_200000210301 [0,2,0,0,0,0|1,0,1]=4 8298 B12R1.435 CC[C@H](N)c1cccc(c1)SC 62a_200000210301_100102422761 [0,2,0,0,0,0|1,0,1]=4 8299 B12R1.435 CC[C@H](N)c1cccc(c1)S[13CH3] 62a_100102422761_200025704644 [0,2,0,0,0,0|1,0,1]=4 8300 B12R1.435 CC[C@H](N)c1cccc(c1)S[13CH3] 62a_200025704644_100102422761 [0,2,0,0,0,0|1,0,1]=4 8301 B12R1.435 CCc1cccc(c1)C(=O)CF 1458a_100011933908_100015361967 [0,2,0,0,0,0|0,0,0]=2 8302 B12R1.435 CCc1cccc(c1)C(=O)NC 11a_106832991635_100011933908 [0,2,0,0,0,0|0,0,0]=2 8303 B12R1.435 CCc1cccc(c1)C(=O)NC 1626a_100102657272_100011933908 [0,2,0,0,0,0|0,0,0]=2 8304 B12R1.435 CCc1cccc(c1)C(=O)NC 240690a_100102657272_100011933908 [0,2,0,0,0,0|0,0,0]=2 8305 B12R1.435 CCc1cccc(c1)C(=O)NC 527a_100102657272_100011933908 [0,2,0,0,0,0|0,0,0]=2 8306 B12R1.435 CCc1cccc(c1)C(C)NC 269862a_106832991636_100011220055 [0,2,0,0,0,0|1,0,1]=4 8307 B12R1.435 CNC(=O)c1cc(ccn1)NC 27a_100102657272_100000204654 [0,2,0,0,0,0|1,0,0]=3 8308 B12R1.435 CNC(=O)c1cc(ccn1)SC 62a_100000204654_200000210301 [0,2,0,0,0,0|1,0,0]=3 8309 B12R1.435 CNC(=O)c1cc(ccn1)SC 62a_200000210301_100000204654 [0,2,0,0,0,0|1,0,0]=3 8310 B12R1.435 CNC(=O)c1cc(ccn1)S[13CH3] 62a_100000204654_200025704644 [0,2,0,0,0,0|1,0,0]=3 8311 B12R1.435 CNC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000204654 [0,2,0,0,0,0|1,0,0]=3 8312 B12R1.435 CNC(=O)c1cccc(c1)C#N 11a_106832991635_100000183950 [0,2,0,0,0,0|0,0,1]=3 8313 B12R1.435 CNC(=O)c1cccc(c1)C#N 1626a_100102657272_100000183950 [0,2,0,0,0,0|0,0,1]=3 8314 B12R1.435 CNC(=O)c1cccc(c1)C#N 240690a_100102657272_100000183950 [0,2,0,0,0,0|0,0,1]=3 8315 B12R1.435 CNC(=O)c1cccc(c1)C#N 527a_100102657272_100000183950 [0,2,0,0,0,0|0,0,1]=3 8316 B12R1.435 CNC(=O)c1cccc(c1)CO 240690a_100102657272_100000746274 [0,2,0,0,0,0|0,0,0]=2 8317 B12R1.435 CNC(=O)c1cccc(c1)NC 34a_100000185133_200000210301 [0,2,0,0,0,0|0,0,0]=2 8318 B12R1.435 CNC(=O)c1cccc(c1)N[13CH3] 34a_100000185133_200025704644 [0,2,0,0,0,0|0,0,0]=2 8319 B12R1.435 CNC(=O)c1cccc(c1)OC 11a_106832991635_100000188888 [0,2,0,0,0,0|0,0,0]=2 8320 B12R1.435 CNC(=O)c1cccc(c1)OC 1626a_100102657272_100000188888 [0,2,0,0,0,0|0,0,0]=2 8321 B12R1.435 CNC(=O)c1cccc(c1)OC 240690a_100102657272_100000188888 [0,2,0,0,0,0|0,0,0]=2 8322 B12R1.435 CNC(=O)c1cccc(c1)OC 34a_100000159807_200000210301 [0,2,0,0,0,0|0,0,0]=2 8323 B12R1.435 CNC(=O)c1cccc(c1)OC 527a_100102657272_100000188888 [0,2,0,0,0,0|0,0,0]=2 8324 B12R1.435 CNC(=O)c1cccc(c1)OC 7a_100000159807_200000210301 [0,2,0,0,0,0|0,0,0]=2 8325 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 34a_100000159807_200025704644 [0,2,0,0,0,0|0,0,0]=2 8326 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 7a_100000159807_200025704644 [0,2,0,0,0,0|0,0,0]=2 8327 B12R1.435 CNC(=O)c1cccc(c1)SC 11a_106832991635_100011217804 [0,2,0,0,0,0|0,0,0]=2 8328 B12R1.435 CNC(=O)c1cccc(c1)SC 1626a_100102657272_100011217804 [0,2,0,0,0,0|0,0,0]=2 8329 B12R1.435 CNC(=O)c1cccc(c1)SC 240690a_100102657272_100011217804 [0,2,0,0,0,0|0,0,0]=2 8330 B12R1.435 CNC(=O)c1cccc(c1)SC 527a_100102657272_100011217804 [0,2,0,0,0,0|0,0,0]=2 8331 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_100000155082_200000210301 [0,2,0,0,0,0|0,0,0]=2 8332 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_200000210301_100000155082 [0,2,0,0,0,0|0,0,0]=2 8333 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_100000155082_200025704644 [0,2,0,0,0,0|0,0,0]=2 8334 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155082 [0,2,0,0,0,0|0,0,0]=2 8335 B12R1.435 CNC(=O)c1cccc(n1)NC 27a_100102657272_100000755456 [0,2,0,0,0,0|1,0,0]=3 8336 B12R1.435 CNC(=O)c1cccc(n1)SC 62a_100000755456_200000210301 [0,2,0,0,0,0|1,0,0]=3 8337 B12R1.435 CNC(=O)c1cccc(n1)SC 62a_200000210301_100000755456 [0,2,0,0,0,0|1,0,0]=3 8338 B12R1.435 CNC(=O)c1cccc(n1)S[13CH3] 62a_100000755456_200025704644 [0,2,0,0,0,0|1,0,0]=3 8339 B12R1.435 CNC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000755456 [0,2,0,0,0,0|1,0,0]=3 8340 B12R1.435 CNC(=O)c1ccnc(c1)SC 62a_100011196506_200000210301 [0,2,0,0,0,0|1,0,0]=3 8341 B12R1.435 CNC(=O)c1ccnc(c1)SC 62a_200000210301_100011196506 [0,2,0,0,0,0|1,0,0]=3 8342 B12R1.435 CNC(=O)c1ccnc(c1)S[13CH3] 62a_100011196506_200025704644 [0,2,0,0,0,0|1,0,0]=3 8343 B12R1.435 CNC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011196506 [0,2,0,0,0,0|1,0,0]=3 8344 B12R1.435 CNC(=O)c1cncc(c1)NC 27a_100102657272_200000155086 [0,2,0,0,0,0|1,0,0]=3 8345 B12R1.435 CNC(=O)c1cncc(c1)SC 62a_200000155086_200000210301 [0,2,0,0,0,0|1,0,0]=3 8346 B12R1.435 CNC(=O)c1cncc(c1)SC 62a_200000210301_200000155086 [0,2,0,0,0,0|1,0,0]=3 8347 B12R1.435 CNC(=O)c1cncc(c1)S[13CH3] 62a_200000155086_200025704644 [0,2,0,0,0,0|1,0,0]=3 8348 B12R1.435 CNC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_200000155086 [0,2,0,0,0,0|1,0,0]=3 8349 B12R1.435 CNC(C)c1cccc(c1)OC 2230a_100000737859_200000210301 [0,2,0,0,0,0|1,0,1]=4 8350 B12R1.435 CNC(C)c1cccc(c1)OC 269862a_106832991636_100000171656 [0,2,0,0,0,0|1,0,1]=4 8351 B12R1.435 CNC(C)c1cccc(c1)SC 62a_100025717457_200000210301 [0,2,0,0,0,0|1,0,1]=4 8352 B12R1.435 CNC(C)c1cccc(c1)SC 62a_200000210301_100025717457 [0,2,0,0,0,0|1,0,1]=4 8353 B12R1.435 CNC(C)c1cccc(c1)S[13CH3] 62a_100025717457_200025704644 [0,2,0,0,0,0|1,0,1]=4 8354 B12R1.435 CNC(C)c1cccc(c1)S[13CH3] 62a_200025704644_100025717457 [0,2,0,0,0,0|1,0,1]=4 8355 B12R1.435 CNc1cc(cnn1)C(=O)OC 27a_100102657272_100009862058 [0,2,0,0,0,0|2,0,0]=4 8356 B12R1.435 CNc1cc(ncn1)C(=O)OC 27a_100102657272_100000051410 [0,2,0,0,0,0|2,0,0]=4 8357 B12R1.435 CNc1cccc(n1)C(=O)OC 27a_100102657272_100000708286 [0,2,0,0,0,0|1,0,0]=3 8358 B12R1.435 CNc1cncc(n1)C(=O)OC 27a_100102657272_100000765340 [0,2,0,0,0,0|2,0,0]=4 8359 B12R1.435 CNc1nccc(n1)C(=O)OC 27a_100102657272_100000070389 [0,2,0,0,0,0|2,0,0]=4 8360 B12R1.435 COC(=O)c1cc(ccn1)OC 34a_200020638413_200000210301 [0,2,0,0,0,0|1,0,0]=3 8361 B12R1.435 COC(=O)c1cc(ccn1)O[13CH3] 34a_200020638413_200025704644 [0,2,0,0,0,0|1,0,0]=3 8362 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_100000693414_200000210301 [0,2,0,0,0,0|1,0,0]=3 8363 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_200000210301_100000693414 [0,2,0,0,0,0|1,0,0]=3 8364 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_100000693414_200025704644 [0,2,0,0,0,0|1,0,0]=3 8365 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000693414 [0,2,0,0,0,0|1,0,0]=3 8366 B12R1.435 COC(=O)c1cc(ncn1)SC 62a_100000051410_200000210301 [0,2,0,0,0,0|2,0,0]=4 8367 B12R1.435 COC(=O)c1cc(ncn1)SC 62a_200000210301_100000051410 [0,2,0,0,0,0|2,0,0]=4 8368 B12R1.435 COC(=O)c1cc(ncn1)S[13CH3] 62a_100000051410_200025704644 [0,2,0,0,0,0|2,0,0]=4 8369 B12R1.435 COC(=O)c1cc(ncn1)S[13CH3] 62a_200025704644_100000051410 [0,2,0,0,0,0|2,0,0]=4 8370 B12R1.435 COC(=O)c1cccc(c1)OC 34a_100000150331_200000210301 [0,2,0,0,0,0|0,0,0]=2 8371 B12R1.435 COC(=O)c1cccc(c1)OC 7a_100000150331_200000210301 [0,2,0,0,0,0|0,0,0]=2 8372 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 34a_100000150331_200025704644 [0,2,0,0,0,0|0,0,0]=2 8373 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 7a_100000150331_200025704644 [0,2,0,0,0,0|0,0,0]=2 8374 B12R1.435 COC(=O)c1cccc(c1)SC 62a_100000148848_200000210301 [0,2,0,0,0,0|0,0,0]=2 8375 B12R1.435 COC(=O)c1cccc(c1)SC 62a_200000210301_100000148848 [0,2,0,0,0,0|0,0,0]=2 8376 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_100000148848_200025704644 [0,2,0,0,0,0|0,0,0]=2 8377 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000148848 [0,2,0,0,0,0|0,0,0]=2 8378 B12R1.435 COC(=O)c1cccc(n1)SC 62a_100000708286_200000210301 [0,2,0,0,0,0|1,0,0]=3 8379 B12R1.435 COC(=O)c1cccc(n1)SC 62a_200000210301_100000708286 [0,2,0,0,0,0|1,0,0]=3 8380 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_100000708286_200025704644 [0,2,0,0,0,0|1,0,0]=3 8381 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000708286 [0,2,0,0,0,0|1,0,0]=3 8382 B12R1.435 COC(=O)c1ccnc(c1)OC 34a_100138552365_200000210301 [0,2,0,0,0,0|1,0,0]=3 8383 B12R1.435 COC(=O)c1ccnc(c1)O[13CH3] 34a_100138552365_200025704644 [0,2,0,0,0,0|1,0,0]=3 8384 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_100011934382_200000210301 [0,2,0,0,0,0|1,0,0]=3 8385 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_200000210301_100011934382 [0,2,0,0,0,0|1,0,0]=3 8386 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_100011934382_200025704644 [0,2,0,0,0,0|1,0,0]=3 8387 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011934382 [0,2,0,0,0,0|1,0,0]=3 8388 B12R1.435 COC(=O)c1ccnc(n1)SC 62a_100000070389_200000210301 [0,2,0,0,0,0|2,0,0]=4 8389 B12R1.435 COC(=O)c1ccnc(n1)SC 62a_200000210301_100000070389 [0,2,0,0,0,0|2,0,0]=4 8390 B12R1.435 COC(=O)c1ccnc(n1)S[13CH3] 62a_100000070389_200025704644 [0,2,0,0,0,0|2,0,0]=4 8391 B12R1.435 COC(=O)c1ccnc(n1)S[13CH3] 62a_200025704644_100000070389 [0,2,0,0,0,0|2,0,0]=4 8392 B12R1.435 COC(=O)c1cncc(c1)OC 34a_100000687108_200000210301 [0,2,0,0,0,0|1,0,0]=3 8393 B12R1.435 COC(=O)c1cncc(c1)OC 7a_100000687108_200000210301 [0,2,0,0,0,0|1,0,0]=3 8394 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 34a_100000687108_200025704644 [0,2,0,0,0,0|1,0,0]=3 8395 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 7a_100000687108_200025704644 [0,2,0,0,0,0|1,0,0]=3 8396 B12R1.435 COC(=O)c1cncc(c1)SC 62a_100000148912_200000210301 [0,2,0,0,0,0|1,0,0]=3 8397 B12R1.435 COC(=O)c1cncc(c1)SC 62a_200000210301_100000148912 [0,2,0,0,0,0|1,0,0]=3 8398 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_100000148912_200025704644 [0,2,0,0,0,0|1,0,0]=3 8399 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100000148912 [0,2,0,0,0,0|1,0,0]=3 8400 B12R1.435 COC(=O)c1cncc(n1)SC 62a_100000765340_200000210301 [0,2,0,0,0,0|2,0,0]=4 8401 B12R1.435 COC(=O)c1cncc(n1)SC 62a_200000210301_100000765340 [0,2,0,0,0,0|2,0,0]=4 8402 B12R1.435 COC(=O)c1cncc(n1)S[13CH3] 62a_100000765340_200025704644 [0,2,0,0,0,0|2,0,0]=4 8403 B12R1.435 COC(=O)c1cncc(n1)S[13CH3] 62a_200025704644_100000765340 [0,2,0,0,0,0|2,0,0]=4 8404 B12R1.435 COC(=O)c1cnnc(c1)SC 62a_100009862058_200000210301 [0,2,0,0,0,0|2,0,0]=4 8405 B12R1.435 COC(=O)c1cnnc(c1)SC 62a_200000210301_100009862058 [0,2,0,0,0,0|2,0,0]=4 8406 B12R1.435 COC(=O)c1cnnc(c1)S[13CH3] 62a_100009862058_200025704644 [0,2,0,0,0,0|2,0,0]=4 8407 B12R1.435 COC(=O)c1cnnc(c1)S[13CH3] 62a_200025704644_100009862058 [0,2,0,0,0,0|2,0,0]=4 8408 B12R1.435 COc1cccc(c1)C(=NN)C 34a_100000689795_200000210301 [0,2,0,0,0,0|1,0,0]=3 8409 B12R1.435 COc1cccc(c1)C(=NO)N 34a_100000738085_200000210301 [0,2,0,0,0,0|1,0,1]=4 8410 B12R1.435 COc1cccc(c1)C(=O)CBr 7a_100009813753_200000210301 [0,2,0,0,0,0|0,0,0]=2 8411 B12R1.435 COc1cccc(c1)C(=O)CF 1458a_100000188888_100015361967 [0,2,0,0,0,0|0,0,0]=2 8412 B12R1.435 COc1cccc(c1)C(=O)NN 34a_100000184184_200000210301 [0,2,0,0,0,0|1,0,0]=3 8413 B12R1.435 COc1cccc(c1)C(C)N[13CH3] 2230a_100000737859_200025704644 [0,2,0,0,0,0|1,0,1]=4 8414 B12R1.435 COc1cccc(c1)C(C)OC 34a_100000246466_200000210301 [0,2,0,0,0,0|0,0,2]=4 8415 B12R1.435 COc1cccc(c1)C(C)OC 7a_100000246466_200000210301 [0,2,0,0,0,0|0,0,2]=4 8416 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 34a_100000246466_200025704644 [0,2,0,0,0,0|0,0,2]=4 8417 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 7a_100000246466_200025704644 [0,2,0,0,0,0|0,0,2]=4 8418 B12R1.435 COc1cccc(c1)C(N)CO 34a_100025717460_200000210301 [0,2,0,0,0,0|1,0,1]=4 8419 B12R1.435 COc1cccc(c1)C(O)CN 34a_100020657549_200000210301 [0,2,0,0,0,0|0,0,2]=4 8420 B12R1.435 COc1cccc(c1)N(C)CF 269982a_100000219725_100015361967 [0,2,0,0,0,0|2,0,0]=4 8421 B12R1.435 COc1cccc(c1)N(C)CF 34a_100000219725_100015361967 [0,2,0,0,0,0|2,0,0]=4 8422 B12R1.435 CSc1cc(ccn1)C(=O)NN 62a_100000021280_200000210301 [0,2,0,0,0,0|2,0,0]=4 8423 B12R1.435 CSc1cc(ccn1)C(=O)NN 62a_200000210301_100000021280 [0,2,0,0,0,0|2,0,0]=4 8424 B12R1.435 CSc1cccc(c1)C(=O)C#N 62a_200000210301_100010169886 [0,2,0,0,0,0|0,0,1]=3 8425 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_100000726164_200000210301 [0,2,0,0,0,0|0,0,1]=3 8426 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_200000210301_100000726164 [0,2,0,0,0,0|0,0,1]=3 8427 B12R1.435 CSc1cccc(c1)C(=O)CF 1458a_100011217804_100015361967 [0,2,0,0,0,0|0,0,0]=2 8428 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_100020587001_200000210301 [0,2,0,0,0,0|0,0,0]=2 8429 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_200000210301_100020587001 [0,2,0,0,0,0|0,0,0]=2 8430 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_100000189783_200000210301 [0,2,0,0,0,0|1,0,0]=3 8431 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_200000210301_100000189783 [0,2,0,0,0,0|1,0,0]=3 8432 B12R1.435 CSc1cccc(c1)C(N)CO 62a_100000690078_200000210301 [0,2,0,0,0,0|1,0,1]=4 8433 B12R1.435 CSc1cccc(c1)C(N)CO 62a_200000210301_100000690078 [0,2,0,0,0,0|1,0,1]=4 8434 B12R1.435 CSc1cccc(c1)N(C)CF 269982a_100020672454_100015361967 [0,2,0,0,0,0|2,0,0]=4 8435 B12R1.435 CSc1cccc(c1)N(C)CF 34a_100020672454_100015361967 [0,2,0,0,0,0|2,0,0]=4 8436 B12R1.435 CSc1cccc(n1)C(=O)NN 62a_100011631096_200000210301 [0,2,0,0,0,0|2,0,0]=4 8437 B12R1.435 CSc1cccc(n1)C(=O)NN 62a_200000210301_100011631096 [0,2,0,0,0,0|2,0,0]=4 8438 B12R1.435 CSc1ccnc(c1)C(=O)NN 62a_100000017052_200000210301 [0,2,0,0,0,0|2,0,0]=4 8439 B12R1.435 CSc1ccnc(c1)C(=O)NN 62a_200000210301_100000017052 [0,2,0,0,0,0|2,0,0]=4 8440 B12R1.435 CSc1cncc(c1)C(=O)NN 62a_100000189809_200000210301 [0,2,0,0,0,0|2,0,0]=4 8441 B12R1.435 CSc1cncc(c1)C(=O)NN 62a_200000210301_100000189809 [0,2,0,0,0,0|2,0,0]=4 8442 B12R1.435 N#Cc1cccc(c1)C(=O)CF 1458a_100000183950_100015361967 [0,2,0,0,0,0|0,0,1]=3 8443 B12R1.435 O=C(CF)c1cccc(c1)CO 1458a_100000746274_100015361967 [0,2,0,0,0,0|0,0,0]=2 8444 B12R1.435 [13CH3]Oc1cccc(c1)C(=NO)N 34a_100000738085_200025704644 [0,2,0,0,0,0|1,0,1]=4 8445 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)CBr 7a_100009813753_200025704644 [0,2,0,0,0,0|0,0,0]=2 8446 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)NN 34a_100000184184_200025704644 [0,2,0,0,0,0|1,0,0]=3 8447 B12R1.435 [13CH3]Oc1cccc(c1)C(N)CO 34a_100025717460_200025704644 [0,2,0,0,0,0|1,0,1]=4 8448 B12R1.435 [13CH3]Oc1cccc(c1)C(O)CN 34a_100020657549_200025704644 [0,2,0,0,0,0|0,0,2]=4 8449 B12R1.435 [13CH3]Sc1cc(ccn1)C(=O)NN 62a_100000021280_200025704644 [0,2,0,0,0,0|2,0,0]=4 8450 B12R1.435 [13CH3]Sc1cc(ccn1)C(=O)NN 62a_200025704644_100000021280 [0,2,0,0,0,0|2,0,0]=4 8451 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C#N 62a_200025704644_100010169886 [0,2,0,0,0,0|0,0,1]=3 8452 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_100000726164_200025704644 [0,2,0,0,0,0|0,0,1]=3 8453 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_200025704644_100000726164 [0,2,0,0,0,0|0,0,1]=3 8454 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_100020587001_200025704644 [0,2,0,0,0,0|0,0,0]=2 8455 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_200025704644_100020587001 [0,2,0,0,0,0|0,0,0]=2 8456 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_100000189783_200025704644 [0,2,0,0,0,0|1,0,0]=3 8457 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_200025704644_100000189783 [0,2,0,0,0,0|1,0,0]=3 8458 B12R1.435 [13CH3]Sc1cccc(c1)C(N)CO 62a_100000690078_200025704644 [0,2,0,0,0,0|1,0,1]=4 8459 B12R1.435 [13CH3]Sc1cccc(c1)C(N)CO 62a_200025704644_100000690078 [0,2,0,0,0,0|1,0,1]=4 8460 B12R1.435 [13CH3]Sc1cccc(n1)C(=O)NN 62a_100011631096_200025704644 [0,2,0,0,0,0|2,0,0]=4 8461 B12R1.435 [13CH3]Sc1cccc(n1)C(=O)NN 62a_200025704644_100011631096 [0,2,0,0,0,0|2,0,0]=4 8462 B12R1.435 [13CH3]Sc1ccnc(c1)C(=O)NN 62a_100000017052_200025704644 [0,2,0,0,0,0|2,0,0]=4 8463 B12R1.435 [13CH3]Sc1ccnc(c1)C(=O)NN 62a_200025704644_100000017052 [0,2,0,0,0,0|2,0,0]=4 8464 B12R1.435 [13CH3]Sc1cncc(c1)C(=O)NN 62a_100000189809_200025704644 [0,2,0,0,0,0|2,0,0]=4 8465 B12R1.435 [13CH3]Sc1cncc(c1)C(=O)NN 62a_200025704644_100000189809 [0,2,0,0,0,0|2,0,0]=4 8466 B12R1.11 C=C(C)c1cc(cc(c1)C#N)Br 271570a_100000694244_100009997436 [0,2,0,0,0,0|1,0,1]=4 8467 B12R1.11 C=C(C)c1cc(cc(c1)C#N)C 271570a_100000694244_100011998626 [0,2,0,0,0,0|1,0,0]=3 8468 B12R1.11 C=C(C)c1cc(cc(c1)C#N)Cl 271570a_100000694244_100009827952 [0,2,0,0,0,0|1,0,1]=4 8469 B12R1.11 C=C(C)c1cc(cc(c1)C#N)F 271570a_100000694244_100000756176 [0,2,0,0,0,0|1,0,1]=4 8470 B12R1.11 C=C(C)c1cc(cc(c1)C#N)N 271570a_100000694244_100012002331 [0,2,0,0,0,0|1,0,1]=4 8471 B12R1.11 C=C(C)c1cc(cc(c1)C#N)O 271570a_100000694244_100012180112 [0,2,0,0,0,0|1,0,1]=4 8472 B12R1.11 C=C(C)c1cc(cc(c1)C=O)Br 271570a_100000694244_100010185649 [0,2,0,0,0,0|1,0,1]=4 8473 B12R1.11 C=C(C)c1cc(cc(c1)C=O)C 271570a_100000694244_100000686105 [0,2,0,0,0,0|1,0,0]=3 8474 B12R1.11 C=C(C)c1cc(cc(c1)C=O)F 271570a_100000694244_100011794424 [0,2,0,0,0,0|1,0,1]=4 8475 B12R1.11 C=C(C)c1cc(cc(c1)C=O)O 271570a_100000694244_100010176088 [0,2,0,0,0,0|1,0,1]=4 8476 B12R1.11 C=C(C)c1cc(cc(c1)CC)N 271570a_100000694244_100010074814 [0,2,0,0,0,0|1,0,0]=3 8477 B12R1.11 C=C(C)c1cc(cc(c1)CN)F 271570a_100000694244_100020611034 [0,2,0,0,0,0|1,0,0]=3 8478 B12R1.11 C=C(C)c1cc(cc(c1)CO)Br 271570a_100000694244_100009814756 [0,2,0,0,0,0|1,0,0]=3 8479 B12R1.11 C=C(C)c1cc(cc(c1)CO)C 271570a_100000694244_100000720511 [0,2,0,0,0,0|1,0,0]=3 8480 B12R1.11 C=C(C)c1cc(cc(c1)CO)F 271570a_100000694244_100000766897 [0,2,0,0,0,0|1,0,0]=3 8481 B12R1.11 C=C(C)c1cc(cc(c1)NC)F 271570a_100000694244_106741647397 [0,2,0,0,0,0|1,0,0]=3 8482 B12R1.11 C=C(C)c1cc(cc(c1)OC)Br 271570a_100000694244_100010141301 [0,2,0,0,0,0|1,0,0]=3 8483 B12R1.11 C=C(C)c1cc(cc(c1)OC)C 271570a_100000694244_100010187550 [0,2,0,0,0,0|1,0,0]=3 8484 B12R1.11 C=C(C)c1cc(cc(c1)OC)Cl 271570a_100000694244_100010147680 [0,2,0,0,0,0|1,0,0]=3 8485 B12R1.11 C=C(C)c1cc(cc(c1)OC)F 271570a_100000694244_100011934182 [0,2,0,0,0,0|1,0,0]=3 8486 B12R1.11 C=C(C)c1cc(cc(c1)OC)N 271570a_100000694244_100000750983 [0,2,0,0,0,0|1,0,0]=3 8487 B12R1.11 C=C(C)c1cc(cc(c1)OC)O 271570a_100000694244_100010068927 [0,2,0,0,0,0|1,0,0]=3 8488 B12R1.11 C=C(C)c1cc(cc(c1)SC)C 271570a_100000694244_200010709730 [0,2,0,0,0,0|1,0,0]=3 8489 B12R1.11 C=C(C)c1cc(cc(c1)SC)F 271570a_100000694244_200010245467 [0,2,0,0,0,0|1,0,0]=3 8490 B12R1.11 C=C(C)c1cc(cc(n1)C)C#N 271570a_100000694244_100000692097 [0,2,0,0,0,0|2,0,0]=4 8491 B12R1.11 C=C(C)c1cc(cc(n1)C)OC 271570a_100000694244_200009849800 [0,2,0,0,0,0|2,0,0]=4 8492 B12R1.11 C=C(C)c1cc(cc(n1)CO)C 271570a_100000694244_100000725198 [0,2,0,0,0,0|2,0,0]=4 8493 B12R1.11 C=C(C)c1cc(cc(n1)N)OC 271570a_100000694244_100010257270 [0,2,0,0,0,0|2,0,0]=4 8494 B12R1.11 C=C(C)c1cc(cc(n1)OC)C 271570a_100000694244_100009856763 [0,2,0,0,0,0|2,0,0]=4 8495 B12R1.11 C=C(C)c1cc(cc(n1)OC)N 271570a_100000694244_100012187057 [0,2,0,0,0,0|2,0,0]=4 8496 B12R1.11 C=C(C)c1cc(nc(c1)C#N)C 271570a_100000694244_100000730222 [0,2,0,0,0,0|2,0,0]=4 8497 B12R1.11 C=C(C)c1cc(nc(c1)C=O)C 271570a_100000694244_100009814795 [0,2,0,0,0,0|2,0,0]=4 8498 B12R1.11 C=C(C)c1cc(nc(c1)CN)C 271570a_100000694244_100010178683 [0,2,0,0,0,0|2,0,0]=4 8499 B12R1.11 C=C(C)c1cc(nc(c1)CO)C 271570a_100000694244_100010178681 [0,2,0,0,0,0|2,0,0]=4 8500 B12R1.11 C=C(C)c1cc(nc(c1)OC)C 271570a_100000694244_100010067692 [0,2,0,0,0,0|2,0,0]=4 8501 B12R1.11 C=C(C)c1cc(nc(c1)OC)N 271570a_100000694244_100010136845 [0,2,0,0,0,0|2,0,0]=4 8502 B12R1.11 C=Cc1cc(cc(c1)C(=O)C)Br 271570a_100011290941_100010005435 [0,2,0,0,0,0|0,0,1]=3 8503 B12R1.11 C=Cc1cc(cc(c1)C(=O)C)C 271570a_100011290941_100000694479 [0,2,0,0,0,0|0,0,0]=2 8504 B12R1.11 C=Cc1cc(cc(c1)C(=O)C)F 271570a_100011290941_100012361402 [0,2,0,0,0,0|0,0,1]=3 8505 B12R1.11 C=Cc1cc(cc(c1)C(=O)N)C 271570a_100011290941_200012348365 [0,2,0,0,0,0|1,0,0]=3 8506 B12R1.11 C=Cc1cc(cc(c1)C(=O)N)F 271570a_100011290941_200011280034 [0,2,0,0,0,0|1,0,1]=4 8507 B12R1.11 C=Cc1cc(cc(c1)C(=O)N)O 271570a_100011290941_100010084318 [0,2,0,0,0,0|1,0,1]=4 8508 B12R1.11 C=Cc1cc(cc(n1)C)C(=O)C 271570a_100011290941_100009884196 [0,2,0,0,0,0|1,0,0]=3 8509 B12R1.11 CC(=O)c1cc(cc(c1)C#N)Br 1458a_100011935128_200000210301 [0,2,0,0,0,0|0,0,1]=3 8510 B12R1.11 CC(=O)c1cc(cc(c1)C#N)C 1458a_100012001805_200000210301 [0,2,0,0,0,0|0,0,0]=2 8511 B12R1.11 CC(=O)c1cc(cc(c1)C#N)Cl 1458a_100011997934_200000210301 [0,2,0,0,0,0|0,0,1]=3 8512 B12R1.11 CC(=O)c1cc(cc(c1)C#N)F 1458a_100011356446_200000210301 [0,2,0,0,0,0|0,0,1]=3 8513 B12R1.11 CC(=O)c1cc(cc(c1)CO)Cl 1458a_100009925505_200000210301 [0,2,0,0,0,0|0,0,0]=2 8514 B12R1.11 CC(=O)c1cc(cc(c1)CO)F 1458a_100012278920_200000210301 [0,2,0,0,0,0|0,0,0]=2 8515 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 34a_100009855872_200025704644 [0,2,0,0,0,0|0,0,0]=2 8516 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 7a_100009855872_200025704644 [0,2,0,0,0,0|0,0,0]=2 8517 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])Br 62a_100010005435_200025704644 [0,2,0,0,0,0|0,0,0]=2 8518 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])Br 62a_200025704644_100010005435 [0,2,0,0,0,0|0,0,0]=2 8519 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_100000694479_200025704644 [0,2,0,0,0,0|0,0,0]=2 8520 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_200025704644_100000694479 [0,2,0,0,0,0|0,0,0]=2 8521 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])F 62a_100012361402_200025704644 [0,2,0,0,0,0|0,0,0]=2 8522 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])F 62a_200025704644_100012361402 [0,2,0,0,0,0|0,0,0]=2 8523 B12R1.11 CC(=O)c1cc(nc(c1)S[13CH3])C 62a_100009884196_200025704644 [0,2,0,0,0,0|1,0,0]=3 8524 B12R1.11 CC(=O)c1cc(nc(c1)S[13CH3])C 62a_200025704644_100009884196 [0,2,0,0,0,0|1,0,0]=3 8525 B12R1.11 CC(C)c1cc(cc(c1)N[13CH3])Br 2230a_100010369243_200025704644 [0,2,0,0,0,0|1,0,1]=4 8526 B12R1.11 CC(C)c1cc(cc(c1)N[13CH3])Br 34a_100010369243_200025704644 [0,2,0,0,0,0|1,0,1]=4 8527 B12R1.11 CC(C)c1cc(cc(c1)N[13CH3])Br 7a_100010369243_200025704644 [0,2,0,0,0,0|1,0,1]=4 8528 B12R1.11 CC(C)c1cc(cc(c1)S[13CH3])Br 62a_200015473176_200025704644 [0,2,0,0,0,0|1,0,1]=4 8529 B12R1.11 CC(C)c1cc(cc(c1)S[13CH3])Br 62a_200025704644_200015473176 [0,2,0,0,0,0|1,0,1]=4 8530 B12R1.11 CC(C)c1cc(cc(c1)S[13CH3])N 62a_100010369243_200025704644 [0,2,0,0,0,0|1,0,1]=4 8531 B12R1.11 CC(C)c1cc(cc(c1)S[13CH3])N 62a_200025704644_100010369243 [0,2,0,0,0,0|1,0,1]=4 8532 B12R1.11 CNc1cc(cc(c1)C(=O)N)F 34a_200011998915_200000210301 [0,2,0,0,0,0|1,0,0]=3 8533 B12R1.11 CNc1cc(cc(c1)C(=O)N)F 7a_200011998915_200000210301 [0,2,0,0,0,0|1,0,0]=3 8534 B12R1.11 CNc1cc(cc(c1)C(C)C)Br 2230a_100010369243_200000210301 [0,2,0,0,0,0|1,0,1]=4 8535 B12R1.11 CNc1cc(cc(c1)C(C)C)Br 34a_100010369243_200000210301 [0,2,0,0,0,0|1,0,1]=4 8536 B12R1.11 CNc1cc(cc(c1)C(C)C)Br 7a_100010369243_200000210301 [0,2,0,0,0,0|1,0,1]=4 8537 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])Br 34a_100000728782_200000210301 [0,2,0,0,0,0|2,0,0]=4 8538 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])Br 7a_100000728782_200000210301 [0,2,0,0,0,0|2,0,0]=4 8539 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])C 2230a_100011707342_200000210301 [0,2,0,0,0,0|2,0,0]=4 8540 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])C 34a_100011707342_200000210301 [0,2,0,0,0,0|2,0,0]=4 8541 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])C 7a_100011707342_200000210301 [0,2,0,0,0,0|2,0,0]=4 8542 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100012181248_200000210301 [0,2,0,0,0,0|2,0,0]=4 8543 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100012181248_200000210301 [0,2,0,0,0,0|2,0,0]=4 8544 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])F 34a_100000756922_200000210301 [0,2,0,0,0,0|2,0,0]=4 8545 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])F 7a_100000756922_200000210301 [0,2,0,0,0,0|2,0,0]=4 8546 B12R1.11 COc1cc(cc(c1)C(=O)C)Br 1458a_100011934030_200000210301 [0,2,0,0,0,0|0,0,0]=2 8547 B12R1.11 COc1cc(cc(c1)C(=O)C)C 1458a_100000117910_200000210301 [0,2,0,0,0,0|0,0,0]=2 8548 B12R1.11 COc1cc(cc(c1)C(=O)C)C 34a_100009855872_200000210301 [0,2,0,0,0,0|0,0,0]=2 8549 B12R1.11 COc1cc(cc(c1)C(=O)C)C 7a_100009855872_200000210301 [0,2,0,0,0,0|0,0,0]=2 8550 B12R1.11 COc1cc(cc(c1)C(=O)C)Cl 1458a_100000066651_200000210301 [0,2,0,0,0,0|0,0,0]=2 8551 B12R1.11 COc1cc(cc(c1)C(=O)C)F 1458a_100011934639_200000210301 [0,2,0,0,0,0|0,0,0]=2 8552 B12R1.11 COc1cc(cc(c1)C(=O)C)I 1458a_200010292657_200000210301 [0,2,0,0,0,0|0,0,0]=2 8553 B12R1.11 COc1cc(cc(c1)C(=O)C)O 1458a_100000083963_200000210301 [0,2,0,0,0,0|0,0,0]=2 8554 B12R1.11 COc1cc(cc(c1)C(=O)C)O 271570a_203496583355_100010713257 [0,2,0,0,0,0|0,0,0]=2 8555 B12R1.11 COc1cc(cc(c1)C(=O)N)Br 34a_100010084318_200000210301 [0,2,0,0,0,0|1,0,0]=3 8556 B12R1.11 COc1cc(cc(c1)C(=O)N)Br 7a_100010084318_200000210301 [0,2,0,0,0,0|1,0,0]=3 8557 B12R1.11 COc1cc(cc(c1)C(=O)N)O 271570a_203496583355_100010146780 [0,2,0,0,0,0|1,0,0]=3 8558 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100011934030_200025704644 [0,2,0,0,0,0|0,0,0]=2 8559 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000117910_200025704644 [0,2,0,0,0,0|0,0,0]=2 8560 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000066651_200025704644 [0,2,0,0,0,0|0,0,0]=2 8561 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])F 1458a_100011934639_200025704644 [0,2,0,0,0,0|0,0,0]=2 8562 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])I 1458a_200010292657_200025704644 [0,2,0,0,0,0|0,0,0]=2 8563 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000083963_200025704644 [0,2,0,0,0,0|0,0,0]=2 8564 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010219246_200000210301 [0,2,0,0,0,0|2,0,0]=4 8565 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010219246_200000210301 [0,2,0,0,0,0|2,0,0]=4 8566 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])C 34a_200000091708_200000210301 [0,2,0,0,0,0|2,0,0]=4 8567 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])C 7a_200000091708_200000210301 [0,2,0,0,0,0|2,0,0]=4 8568 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000118981_200000210301 [0,2,0,0,0,0|2,0,0]=4 8569 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000118981_200000210301 [0,2,0,0,0,0|2,0,0]=4 8570 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])F 34a_100000690918_200000210301 [0,2,0,0,0,0|2,0,0]=4 8571 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])F 7a_100000690918_200000210301 [0,2,0,0,0,0|2,0,0]=4 8572 B12R1.11 CSc1cc(cc(c1)C(=O)C)Br 62a_100010005435_200000210301 [0,2,0,0,0,0|0,0,0]=2 8573 B12R1.11 CSc1cc(cc(c1)C(=O)C)Br 62a_200000210301_100010005435 [0,2,0,0,0,0|0,0,0]=2 8574 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_100000694479_200000210301 [0,2,0,0,0,0|0,0,0]=2 8575 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_200000210301_100000694479 [0,2,0,0,0,0|0,0,0]=2 8576 B12R1.11 CSc1cc(cc(c1)C(=O)C)F 62a_100012361402_200000210301 [0,2,0,0,0,0|0,0,0]=2 8577 B12R1.11 CSc1cc(cc(c1)C(=O)C)F 62a_200000210301_100012361402 [0,2,0,0,0,0|0,0,0]=2 8578 B12R1.11 CSc1cc(cc(c1)C(=O)N)C 62a_200000210301_200012348365 [0,2,0,0,0,0|1,0,0]=3 8579 B12R1.11 CSc1cc(cc(c1)C(=O)N)C 62a_200012348365_200000210301 [0,2,0,0,0,0|1,0,0]=3 8580 B12R1.11 CSc1cc(cc(c1)C(=O)N)F 62a_200000210301_200011280034 [0,2,0,0,0,0|1,0,0]=3 8581 B12R1.11 CSc1cc(cc(c1)C(=O)N)F 62a_200011280034_200000210301 [0,2,0,0,0,0|1,0,0]=3 8582 B12R1.11 CSc1cc(cc(c1)C(=O)N)O 62a_100010084318_200000210301 [0,2,0,0,0,0|1,0,0]=3 8583 B12R1.11 CSc1cc(cc(c1)C(=O)N)O 62a_200000210301_100010084318 [0,2,0,0,0,0|1,0,0]=3 8584 B12R1.11 CSc1cc(cc(c1)C(C)C)Br 62a_200000210301_200015473176 [0,2,0,0,0,0|1,0,1]=4 8585 B12R1.11 CSc1cc(cc(c1)C(C)C)Br 62a_200015473176_200000210301 [0,2,0,0,0,0|1,0,1]=4 8586 B12R1.11 CSc1cc(cc(c1)C(C)C)N 62a_100010369243_200000210301 [0,2,0,0,0,0|1,0,1]=4 8587 B12R1.11 CSc1cc(cc(c1)C(C)C)N 62a_200000210301_100010369243 [0,2,0,0,0,0|1,0,1]=4 8588 B12R1.11 CSc1cc(cc(n1)C)C(=O)C 62a_100009884196_200000210301 [0,2,0,0,0,0|1,0,0]=3 8589 B12R1.11 CSc1cc(cc(n1)C)C(=O)C 62a_200000210301_100009884196 [0,2,0,0,0,0|1,0,0]=3 8590 B12R1.11 Cc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200012348365_200025704644 [0,2,0,0,0,0|1,0,0]=3 8591 B12R1.11 Cc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200025704644_200012348365 [0,2,0,0,0,0|1,0,0]=3 8592 B12R1.11 Cc1cc(cc(c1)C(=O)[13CH3])C#N 1458a_100012001805_200025704644 [0,2,0,0,0,0|0,0,0]=2 8593 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])N[13CH3] 2230a_100011707342_200025704644 [0,2,0,0,0,0|2,0,0]=4 8594 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])N[13CH3] 34a_100011707342_200025704644 [0,2,0,0,0,0|2,0,0]=4 8595 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])N[13CH3] 7a_100011707342_200025704644 [0,2,0,0,0,0|2,0,0]=4 8596 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])O[13CH3] 34a_200000091708_200025704644 [0,2,0,0,0,0|2,0,0]=4 8597 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])O[13CH3] 7a_200000091708_200025704644 [0,2,0,0,0,0|2,0,0]=4 8598 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)C#N)Br 1458a_100011935128_200025704644 [0,2,0,0,0,0|0,0,1]=3 8599 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)C#N)Cl 1458a_100011997934_200025704644 [0,2,0,0,0,0|0,0,1]=3 8600 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)C#N)F 1458a_100011356446_200025704644 [0,2,0,0,0,0|0,0,1]=3 8601 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)CO)Cl 1458a_100009925505_200025704644 [0,2,0,0,0,0|0,0,0]=2 8602 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)CO)F 1458a_100012278920_200025704644 [0,2,0,0,0,0|0,0,0]=2 8603 B12R1.11 [13CH3]Nc1cc(cc(c1)C(=O)N)F 34a_200011998915_200025704644 [0,2,0,0,0,0|1,0,0]=3 8604 B12R1.11 [13CH3]Nc1cc(cc(c1)C(=O)N)F 7a_200011998915_200025704644 [0,2,0,0,0,0|1,0,0]=3 8605 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])Br 34a_100000728782_200025704644 [0,2,0,0,0,0|2,0,0]=4 8606 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])Br 7a_100000728782_200025704644 [0,2,0,0,0,0|2,0,0]=4 8607 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100012181248_200025704644 [0,2,0,0,0,0|2,0,0]=4 8608 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100012181248_200025704644 [0,2,0,0,0,0|2,0,0]=4 8609 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])F 34a_100000756922_200025704644 [0,2,0,0,0,0|2,0,0]=4 8610 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])F 7a_100000756922_200025704644 [0,2,0,0,0,0|2,0,0]=4 8611 B12R1.11 [13CH3]Oc1cc(cc(c1)C(=O)N)Br 34a_100010084318_200025704644 [0,2,0,0,0,0|1,0,0]=3 8612 B12R1.11 [13CH3]Oc1cc(cc(c1)C(=O)N)Br 7a_100010084318_200025704644 [0,2,0,0,0,0|1,0,0]=3 8613 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010219246_200025704644 [0,2,0,0,0,0|2,0,0]=4 8614 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010219246_200025704644 [0,2,0,0,0,0|2,0,0]=4 8615 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000118981_200025704644 [0,2,0,0,0,0|2,0,0]=4 8616 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000118981_200025704644 [0,2,0,0,0,0|2,0,0]=4 8617 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])F 34a_100000690918_200025704644 [0,2,0,0,0,0|2,0,0]=4 8618 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])F 7a_100000690918_200025704644 [0,2,0,0,0,0|2,0,0]=4 8619 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)F 62a_200011280034_200025704644 [0,2,0,0,0,0|1,0,0]=3 8620 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)F 62a_200025704644_200011280034 [0,2,0,0,0,0|1,0,0]=3 8621 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)O 62a_100010084318_200025704644 [0,2,0,0,0,0|1,0,0]=3 8622 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)O 62a_200025704644_100010084318 [0,2,0,0,0,0|1,0,0]=3 8623 B12R1.102 CS(=O)(=O)c1cc(cc(c1)F)O 271570a_203496583355_200010884439 [0,2,0,0,0,0|2,0,0]=4 8624 B12R1.102 CS(=O)(=O)c1cc(cc(c1)O)N 271570a_203496583355_200010115582 [0,2,0,0,0,0|2,0,0]=4 8625 B12R1.102 Cc1cc(cc(c1)C(C)(C)C)O 271570a_203496583355_200009817001 [0,2,0,0,0,0|1,0,1]=4 8626 B12R1.511 C=C(C)c1cc(cc(c1Br)F)F 271570a_100000694244_100010256416 [0,2,0,0,0,0|2,0,0]=4 8627 B12R1.511 C=C(C)c1cc(cc(c1C)C)N 271570a_100000694244_100010368239 [0,2,0,0,0,0|1,0,0]=3 8628 B12R1.511 C=C(C)c1cc(cc(c1C)C)O 271570a_100000694244_100010068915 [0,2,0,0,0,0|1,0,0]=3 8629 B12R1.511 C=C(C)c1cc(cc(c1C)F)C 271570a_100000694244_100015473476 [0,2,0,0,0,0|1,0,0]=3 8630 B12R1.511 C=C(C)c1cc(cc(c1C)F)F 271570a_100000694244_100015579730 [0,2,0,0,0,0|2,0,0]=4 8631 B12R1.511 C=C(C)c1cc(cc(c1C)F)N 271570a_100000694244_100010254531 [0,2,0,0,0,0|2,0,0]=4 8632 B12R1.511 C=C(C)c1cc(cc(c1C)N)C 271570a_100000694244_102495365385 [0,2,0,0,0,0|1,0,0]=3 8633 B12R1.511 C=C(C)c1cc(cc(c1C)N)Cl 271570a_100000694244_200000050010 [0,2,0,0,0,0|2,0,0]=4 8634 B12R1.511 C=C(C)c1cc(cc(c1C)N)F 271570a_100000694244_100009814351 [0,2,0,0,0,0|2,0,0]=4 8635 B12R1.511 C=C(C)c1cc(cc(c1Cl)Cl)Cl 271570a_100000694244_200000042848 [0,2,0,0,0,0|2,0,0]=4 8636 B12R1.511 C=C(C)c1cc(cc(c1F)C)C 271570a_100000694244_200010204574 [0,2,0,0,0,0|1,0,0]=3 8637 B12R1.511 C=C(C)c1cc(cc(c1F)C)F 271570a_100000694244_100010291795 [0,2,0,0,0,0|1,0,0]=3 8638 B12R1.511 C=C(C)c1cc(cc(c1F)Cl)Br 271570a_100000694244_100010270166 [0,2,0,0,0,0|2,0,0]=4 8639 B12R1.511 C=C(C)c1cc(cc(c1F)F)C 271570a_100000694244_100010141297 [0,2,0,0,0,0|1,0,0]=3 8640 B12R1.511 C=C(C)c1cc(cc(c1F)F)F 271570a_100000694244_100000724850 [0,2,0,0,0,0|2,0,0]=4 8641 B12R1.511 C=C(C)c1cc(cc(c1F)F)N 271570a_100000694244_100009816004 [0,2,0,0,0,0|2,0,0]=4 8642 B12R1.511 C=C(C)c1cc(cc(c1F)N)C 271570a_100000694244_100010589139 [0,2,0,0,0,0|1,0,0]=3 8643 B12R1.511 C=C(C)c1cc(cc(c1F)N)F 271570a_100000694244_100000722353 [0,2,0,0,0,0|2,0,0]=4 8644 B12R1.511 C=C(C)c1cc(cc(c1N)Br)Cl 271570a_100000694244_200012970264 [0,2,0,0,0,0|2,0,0]=4 8645 B12R1.511 C=C(C)c1cc(cc(c1N)C)Br 271570a_100000694244_200000690823 [0,2,0,0,0,0|1,0,0]=3 8646 B12R1.511 C=C(C)c1cc(cc(c1N)C)C 271570a_100000694244_100000688863 [0,2,0,0,0,0|1,0,0]=3 8647 B12R1.511 C=C(C)c1cc(cc(c1N)C)Cl 271570a_100000694244_100012344046 [0,2,0,0,0,0|1,0,0]=3 8648 B12R1.511 C=C(C)c1cc(cc(c1N)C)F 271570a_100000694244_100011216670 [0,2,0,0,0,0|1,0,0]=3 8649 B12R1.511 C=C(C)c1cc(cc(c1N)Cl)Cl 271570a_100000694244_100011216899 [0,2,0,0,0,0|2,0,0]=4 8650 B12R1.511 C=C(C)c1cc(cc(c1N)F)Br 271570a_100000694244_100012970276 [0,2,0,0,0,0|2,0,0]=4 8651 B12R1.511 C=C(C)c1cc(cc(c1N)F)C 271570a_100000694244_100012353694 [0,2,0,0,0,0|1,0,0]=3 8652 B12R1.511 C=C(C)c1cc(cc(c1N)F)Cl 271570a_100000694244_100011214900 [0,2,0,0,0,0|2,0,0]=4 8653 B12R1.511 C=C(C)c1cc(cc(c1N)F)F 271570a_100000694244_100000211602 [0,2,0,0,0,0|2,0,0]=4 8654 B12R1.511 C=C(C)c1cc(cc(c1N)N)C 271570a_100000694244_100012348275 [0,2,0,0,0,0|1,0,0]=3 8655 B12R1.511 C=C(C)c1cc(cc(c1N)N)F 271570a_100000694244_100011934818 [0,2,0,0,0,0|2,0,0]=4 8656 B12R1.511 C=C(C)c1cc(cc(c1O)Br)F 271570a_100000694244_200013085147 [0,2,0,0,0,0|2,0,0]=4 8657 B12R1.511 C=C(C)c1cc(cc(c1O)C)C 271570a_100000694244_100011934984 [0,2,0,0,0,0|1,0,0]=3 8658 B12R1.511 C=C(C)c1cc(cc(c1O)C)Cl 271570a_100000694244_100012343667 [0,2,0,0,0,0|1,0,0]=3 8659 B12R1.511 C=C(C)c1cc(cc(c1O)C)N 271570a_100000694244_100010064301 [0,2,0,0,0,0|1,0,0]=3 8660 B12R1.511 C=C(C)c1cc(cc(c1O)Cl)Cl 271570a_100000694244_200012339341 [0,2,0,0,0,0|2,0,0]=4 8661 B12R1.511 C=C(C)c1cc(cc(c1O)F)Br 271570a_100000694244_100013354677 [0,2,0,0,0,0|2,0,0]=4 8662 B12R1.511 C=C(C)c1cc(cc(c1O)F)C 271570a_100000694244_200135191068 [0,2,0,0,0,0|1,0,0]=3 8663 B12R1.511 C=C(C)c1cc(cc(c1O)F)F 271570a_100000694244_100000688693 [0,2,0,0,0,0|2,0,0]=4 8664 B12R1.511 C=C(C)c1cc(cc(c1O)N)F 271570a_100000694244_200011217456 [0,2,0,0,0,0|2,0,0]=4 8665 B12R1.511 C=C(C)c1cc(cn(c1=O)C)C 271570a_100000694244_100011068373 [0,2,0,0,0,0|2,0,0]=4 8666 B12R1.511 C=C(C)c1nc(cc(c1N)C)C 271570a_100000694244_100009816701 [0,2,0,0,0,0|2,0,0]=4 8667 B12R1.511 C=C(C)c1nc(cc(c1N)C)Cl 271570a_100000694244_100021194808 [0,2,0,0,0,0|2,0,0]=4 8668 B12R1.511 CC(=O)c1cc(cc(c1Br)Br)C 1458a_200012920551_200000210301 [0,2,0,0,0,0|0,0,0]=2 8669 B12R1.511 CC(=O)c1cc(cc(c1Br)C)C 1458a_200000701928_200000210301 [0,2,0,0,0,0|0,0,0]=2 8670 B12R1.511 CC(=O)c1cc(cc(c1Br)F)F 1458a_100010209673_200000210301 [0,2,0,0,0,0|1,0,0]=3 8671 B12R1.511 CC(=O)c1cc(cc(c1C)Br)Br 1458a_100012356187_200000210301 [0,2,0,0,0,0|1,0,0]=3 8672 B12R1.511 CC(=O)c1cc(cc(c1C)Br)F 1458a_100012347597_200000210301 [0,2,0,0,0,0|1,0,0]=3 8673 B12R1.511 CC(=O)c1cc(cc(c1C)C)Br 1458a_100012920495_200000210301 [0,2,0,0,0,0|0,0,0]=2 8674 B12R1.511 CC(=O)c1cc(cc(c1C)Cl)Br 1458a_100012921640_200000210301 [0,2,0,0,0,0|1,0,0]=3 8675 B12R1.511 CC(=O)c1cc(cc(c1C)Cl)F 1458a_100012177191_200000210301 [0,2,0,0,0,0|1,0,0]=3 8676 B12R1.511 CC(=O)c1cc(cc(c1C)F)Br 1458a_100010768523_200000210301 [0,2,0,0,0,0|1,0,0]=3 8677 B12R1.511 CC(=O)c1cc(cc(c1C)O)Br 1458a_100011101721_200000210301 [0,2,0,0,0,0|1,0,0]=3 8678 B12R1.511 CC(=O)c1cc(cc(c1Cl)Br)Cl 1458a_200012920481_200000210301 [0,2,0,0,0,0|1,0,0]=3 8679 B12R1.511 CC(=O)c1cc(cc(c1Cl)Br)F 1458a_100011105905_200000210301 [0,2,0,0,0,0|1,0,0]=3 8680 B12R1.511 CC(=O)c1cc(cc(c1Cl)C)F 1458a_200010768536_200000210301 [0,2,0,0,0,0|0,0,0]=2 8681 B12R1.511 CC(=O)c1cc(cc(c1Cl)Cl)Cl 1458a_100011215521_200000210301 [0,2,0,0,0,0|1,0,0]=3 8682 B12R1.511 CC(=O)c1cc(cc(c1Cl)Cl)F 1458a_200010244589_200000210301 [0,2,0,0,0,0|1,0,0]=3 8683 B12R1.511 CC(=O)c1cc(cc(c1Cl)F)Cl 1458a_200012352169_200000210301 [0,2,0,0,0,0|1,0,0]=3 8684 B12R1.511 CC(=O)c1cc(cc(c1Cl)F)F 1458a_100009888511_200000210301 [0,2,0,0,0,0|1,0,0]=3 8685 B12R1.511 CC(=O)c1cc(cc(c1F)Br)C 1458a_100009996753_200000210301 [0,2,0,0,0,0|0,0,0]=2 8686 B12R1.511 CC(=O)c1cc(cc(c1F)Br)Cl 1458a_100000720295_200000210301 [0,2,0,0,0,0|1,0,0]=3 8687 B12R1.511 CC(=O)c1cc(cc(c1F)Br)F 1458a_100012920464_200000210301 [0,2,0,0,0,0|1,0,0]=3 8688 B12R1.511 CC(=O)c1cc(cc(c1F)C)Br 1458a_100012928937_200000210301 [0,2,0,0,0,0|0,0,0]=2 8689 B12R1.511 CC(=O)c1cc(cc(c1F)Cl)Br 1458a_100012920557_200000210301 [0,2,0,0,0,0|1,0,0]=3 8690 B12R1.511 CC(=O)c1cc(cc(c1F)Cl)I 1458a_100012920558_200000210301 [0,2,0,0,0,0|1,0,0]=3 8691 B12R1.511 CC(=O)c1cc(cc(c1F)F)Br 1458a_100012349847_200000210301 [0,2,0,0,0,0|1,0,0]=3 8692 B12R1.511 CC(=O)c1cc(cc(c1F)F)C 1458a_100000094381_200000210301 [0,2,0,0,0,0|0,0,0]=2 8693 B12R1.511 CC(=O)c1cc(cc(c1F)F)F 1458a_100011217470_200000210301 [0,2,0,0,0,0|1,0,0]=3 8694 B12R1.511 CC(=O)c1cc(cc(c1F)F)I 1458a_100012344719_200000210301 [0,2,0,0,0,0|1,0,0]=3 8695 B12R1.511 CC(=O)c1cc(cc(c1I)I)I 1458a_100000211575_200000210301 [0,2,0,0,0,0|1,0,0]=3 8696 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_200000210301 [0,2,0,0,0,0|1,0,0]=3 8697 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_200000210301 [0,2,0,0,0,0|1,0,0]=3 8698 B12R1.511 CC(=O)c1cc(cc(c1O)C)Br 1458a_100011825902_200000210301 [0,2,0,0,0,0|0,0,0]=2 8699 B12R1.511 CC(=O)c1cc(cc(c1O)C)Cl 1458a_100011255218_200000210301 [0,2,0,0,0,0|0,0,0]=2 8700 B12R1.511 CC(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200000210301 [0,2,0,0,0,0|1,0,0]=3 8701 B12R1.511 CC(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_200000210301 [0,2,0,0,0,0|1,0,0]=3 8702 B12R1.511 CC(=O)c1cc(cc(c1O)F)F 1458a_100011255242_200000210301 [0,2,0,0,0,0|1,0,0]=3 8703 B12R1.511 CC(=O)c1cc(cc(c1O)I)I 1458a_100000748652_200000210301 [0,2,0,0,0,0|1,0,0]=3 8704 B12R1.511 CC(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_200000210301 [0,2,0,0,0,0|1,0,0]=3 8705 B12R1.511 CC(=O)c1cc(cc(c1O)O)C 271570a_203496583355_100011659362 [0,2,0,0,0,0|0,0,0]=2 8706 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)Br 1458a_100012356187_200025704644 [0,2,0,0,0,0|1,0,0]=3 8707 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)Cl 1458a_100012921640_200025704644 [0,2,0,0,0,0|1,0,0]=3 8708 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)F 1458a_100010768523_200025704644 [0,2,0,0,0,0|1,0,0]=3 8709 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)O 1458a_100011101721_200025704644 [0,2,0,0,0,0|1,0,0]=3 8710 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])F)Br 1458a_100012347597_200025704644 [0,2,0,0,0,0|1,0,0]=3 8711 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])F)Cl 1458a_100012177191_200025704644 [0,2,0,0,0,0|1,0,0]=3 8712 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)Br 1458a_200012920551_200025704644 [0,2,0,0,0,0|0,0,0]=2 8713 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)C 1458a_200000701928_200025704644 [0,2,0,0,0,0|0,0,0]=2 8714 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])F)Br 1458a_100009996753_200025704644 [0,2,0,0,0,0|0,0,0]=2 8715 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])F)F 1458a_100000094381_200025704644 [0,2,0,0,0,0|0,0,0]=2 8716 B12R1.511 Cc1cc(cc(c1C)C(=O)[13CH3])Br 1458a_100012920495_200025704644 [0,2,0,0,0,0|0,0,0]=2 8717 B12R1.511 Cc1cc(cc(c1Cl)C(=O)[13CH3])F 1458a_200010768536_200025704644 [0,2,0,0,0,0|0,0,0]=2 8718 B12R1.511 Cc1cc(cc(c1F)C(=O)[13CH3])Br 1458a_100012928937_200025704644 [0,2,0,0,0,0|0,0,0]=2 8719 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Br 1458a_100011825902_200025704644 [0,2,0,0,0,0|0,0,0]=2 8720 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Cl 1458a_100011255218_200025704644 [0,2,0,0,0,0|0,0,0]=2 8721 B12R1.511 NC(=O)c1cc(cc(c1O)O)F 271570a_203496583355_200135271384 [0,2,0,0,0,0|2,0,0]=4 8722 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Br)F)F 1458a_100010209673_200025704644 [0,2,0,0,0,0|1,0,0]=3 8723 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Br)Cl 1458a_200012920481_200025704644 [0,2,0,0,0,0|1,0,0]=3 8724 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Br)F 1458a_100011105905_200025704644 [0,2,0,0,0,0|1,0,0]=3 8725 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Cl)Cl 1458a_100011215521_200025704644 [0,2,0,0,0,0|1,0,0]=3 8726 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Cl)F 1458a_200010244589_200025704644 [0,2,0,0,0,0|1,0,0]=3 8727 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)F)Cl 1458a_200012352169_200025704644 [0,2,0,0,0,0|1,0,0]=3 8728 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)F)F 1458a_100009888511_200025704644 [0,2,0,0,0,0|1,0,0]=3 8729 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Br)Cl 1458a_100000720295_200025704644 [0,2,0,0,0,0|1,0,0]=3 8730 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Br)F 1458a_100012920464_200025704644 [0,2,0,0,0,0|1,0,0]=3 8731 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Cl)Br 1458a_100012920557_200025704644 [0,2,0,0,0,0|1,0,0]=3 8732 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Cl)I 1458a_100012920558_200025704644 [0,2,0,0,0,0|1,0,0]=3 8733 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)F)Br 1458a_100012349847_200025704644 [0,2,0,0,0,0|1,0,0]=3 8734 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)F)F 1458a_100011217470_200025704644 [0,2,0,0,0,0|1,0,0]=3 8735 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)F)I 1458a_100012344719_200025704644 [0,2,0,0,0,0|1,0,0]=3 8736 B12R1.511 [13CH3]C(=O)c1cc(cc(c1I)I)I 1458a_100000211575_200025704644 [0,2,0,0,0,0|1,0,0]=3 8737 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_200025704644 [0,2,0,0,0,0|1,0,0]=3 8738 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_200025704644 [0,2,0,0,0,0|1,0,0]=3 8739 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200025704644 [0,2,0,0,0,0|1,0,0]=3 8740 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_200025704644 [0,2,0,0,0,0|1,0,0]=3 8741 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)F)F 1458a_100011255242_200025704644 [0,2,0,0,0,0|1,0,0]=3 8742 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)I)I 1458a_100000748652_200025704644 [0,2,0,0,0,0|1,0,0]=3 8743 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_200025704644 [0,2,0,0,0,0|1,0,0]=3 8744 B12R1.128 CS(=O)(=O)c1cc(ccc1Br)O 271570a_203496583355_100011102953 [0,2,0,0,0,0|2,0,0]=4 8745 B12R1.128 CS(=O)(=O)c1cc(ccc1F)O 271570a_203496583355_100010195686 [0,2,0,0,0,0|2,0,0]=4 8746 B12R1.128 CS(=O)(=O)c1cc(ccc1N)O 271570a_203496583355_100000692581 [0,2,0,0,0,0|2,0,0]=4 8747 B12R1.128 CS(=O)(=O)c1cc(ccc1O)O 271570a_203496583355_200015712519 [0,2,0,0,0,0|2,0,0]=4 8748 B12R1.128 Cc1ccc(cc1S(=O)(=O)C)O 271570a_203496583355_100009814363 [0,2,0,0,0,0|2,0,0]=4 8749 B12R1.228 Cc1cccc(c1O)S(=O)(=O)N 271570a_203496583355_200012348303 [0,2,0,0,0,0|2,0,0]=4 8750 B12R1.436 C=Cc1cccc(c1)S(=O)(=O)C 271570a_100011290941_100009815773 [0,2,0,0,0,0|1,0,1]=4 8751 B12R1.436 CC(C)(C)c1cccc(c1)N[13CH3] 2230a_100000035496_200025704644 [0,2,0,0,0,0|1,0,1]=4 8752 B12R1.436 CC(C)(C)c1cccc(c1)N[13CH3] 34a_100000035496_200025704644 [0,2,0,0,0,0|1,0,1]=4 8753 B12R1.436 CC(C)(C)c1cccc(c1)N[13CH3] 7a_100000035496_200025704644 [0,2,0,0,0,0|1,0,1]=4 8754 B12R1.436 CC(C)(C)c1cccc(c1)O[13CH3] 34a_100000211624_200025704644 [0,2,0,0,0,0|1,0,1]=4 8755 B12R1.436 CC(C)(C)c1cccc(c1)O[13CH3] 7a_100000211624_200025704644 [0,2,0,0,0,0|1,0,1]=4 8756 B12R1.436 CC(C)(C)c1cccc(c1)S[13CH3] 62a_100009816526_200025704644 [0,2,0,0,0,0|1,0,1]=4 8757 B12R1.436 CC(C)(C)c1cccc(c1)S[13CH3] 62a_200025704644_100009816526 [0,2,0,0,0,0|1,0,1]=4 8758 B12R1.436 CC(C)(N)c1cccc(c1)S[13CH3] 62a_100016995529_200025704644 [0,2,0,0,0,0|1,0,1]=4 8759 B12R1.436 CC(C)(N)c1cccc(c1)S[13CH3] 62a_200025704644_100016995529 [0,2,0,0,0,0|1,0,1]=4 8760 B12R1.436 CC(C)(O)c1cccc(c1)O[13CH3] 34a_200000085863_200025704644 [0,2,0,0,0,0|0,0,2]=4 8761 B12R1.436 CC(C)(O)c1cccc(c1)O[13CH3] 7a_200000085863_200025704644 [0,2,0,0,0,0|0,0,2]=4 8762 B12R1.436 CC(C)(O)c1cccc(c1)S[13CH3] 62a_100011346009_200025704644 [0,2,0,0,0,0|0,0,2]=4 8763 B12R1.436 CC(C)(O)c1cccc(c1)S[13CH3] 62a_200025704644_100011346009 [0,2,0,0,0,0|0,0,2]=4 8764 B12R1.436 CC(F)(F)c1cccc(c1)N[13CH3] 34a_100000709193_200025704644 [0,2,0,0,0,0|1,0,1]=4 8765 B12R1.436 CC(F)(F)c1cccc(c1)N[13CH3] 7a_100000709193_200025704644 [0,2,0,0,0,0|1,0,1]=4 8766 B12R1.436 CC(F)(F)c1cccc(c1)S[13CH3] 62a_100010232180_200025704644 [0,2,0,0,0,0|1,0,1]=4 8767 B12R1.436 CC(F)(F)c1cccc(c1)S[13CH3] 62a_200025704644_100010232180 [0,2,0,0,0,0|1,0,1]=4 8768 B12R1.436 CNc1cccc(c1)C(C)(C)C 2230a_100000035496_200000210301 [0,2,0,0,0,0|1,0,1]=4 8769 B12R1.436 CNc1cccc(c1)C(C)(C)C 34a_100000035496_200000210301 [0,2,0,0,0,0|1,0,1]=4 8770 B12R1.436 CNc1cccc(c1)C(C)(C)C 7a_100000035496_200000210301 [0,2,0,0,0,0|1,0,1]=4 8771 B12R1.436 CNc1cccc(c1)C(C)(F)F 34a_100000709193_200000210301 [0,2,0,0,0,0|1,0,1]=4 8772 B12R1.436 CNc1cccc(c1)C(C)(F)F 7a_100000709193_200000210301 [0,2,0,0,0,0|1,0,1]=4 8773 B12R1.436 CNc1cccc(c1)S(=O)(=O)C 34a_100000209861_200000210301 [0,2,0,0,0,0|1,0,0]=3 8774 B12R1.436 CNc1cccc(c1)S(=O)(=O)C 7a_100000209861_200000210301 [0,2,0,0,0,0|1,0,0]=3 8775 B12R1.436 CNc1cccc(c1)S(=O)(=O)N 34a_100000182236_200000210301 [0,2,0,0,0,0|2,0,0]=4 8776 B12R1.436 CNc1cccc(n1)S(=O)(=O)C 27a_100102657272_100010191205 [0,2,0,0,0,0|2,0,0]=4 8777 B12R1.436 CNc1cncc(c1)S(=O)(=O)C 27a_100102657272_100000702611 [0,2,0,0,0,0|2,0,0]=4 8778 B12R1.436 COc1cccc(c1)C(C)(C)C 34a_100000211624_200000210301 [0,2,0,0,0,0|1,0,1]=4 8779 B12R1.436 COc1cccc(c1)C(C)(C)C 7a_100000211624_200000210301 [0,2,0,0,0,0|1,0,1]=4 8780 B12R1.436 COc1cccc(c1)C(C)(C)O 34a_200000085863_200000210301 [0,2,0,0,0,0|0,0,2]=4 8781 B12R1.436 COc1cccc(c1)C(C)(C)O 7a_200000085863_200000210301 [0,2,0,0,0,0|0,0,2]=4 8782 B12R1.436 COc1cccc(c1)S(=O)(=O)[O-] 7a_100000116945_200000210301 [0,2,0,0,0,0|2,0,0]=4 8783 B12R1.436 CS(=O)(=O)c1cccc(c1)N[13CH3] 34a_100000209861_200025704644 [0,2,0,0,0,0|1,0,0]=3 8784 B12R1.436 CS(=O)(=O)c1cccc(c1)N[13CH3] 7a_100000209861_200025704644 [0,2,0,0,0,0|1,0,0]=3 8785 B12R1.436 CS(=O)(=O)c1cccc(c1)S[13CH3] 62a_100009815773_200025704644 [0,2,0,0,0,0|1,0,0]=3 8786 B12R1.436 CS(=O)(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009815773 [0,2,0,0,0,0|1,0,0]=3 8787 B12R1.436 CS(=O)(=O)c1cccc(n1)S[13CH3] 62a_100010191205_200025704644 [0,2,0,0,0,0|2,0,0]=4 8788 B12R1.436 CS(=O)(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100010191205 [0,2,0,0,0,0|2,0,0]=4 8789 B12R1.436 CS(=O)(=O)c1ccnc(c1)S[13CH3] 62a_100016215246_200025704644 [0,2,0,0,0,0|2,0,0]=4 8790 B12R1.436 CS(=O)(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100016215246 [0,2,0,0,0,0|2,0,0]=4 8791 B12R1.436 CS(=O)(=O)c1cncc(c1)S[13CH3] 62a_100000702611_200025704644 [0,2,0,0,0,0|2,0,0]=4 8792 B12R1.436 CS(=O)(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100000702611 [0,2,0,0,0,0|2,0,0]=4 8793 B12R1.436 CSc1cc(ccn1)S(=O)(=O)C 62a_100016215246_200000210301 [0,2,0,0,0,0|2,0,0]=4 8794 B12R1.436 CSc1cc(ccn1)S(=O)(=O)C 62a_200000210301_100016215246 [0,2,0,0,0,0|2,0,0]=4 8795 B12R1.436 CSc1cccc(c1)C(C)(C)C 62a_100009816526_200000210301 [0,2,0,0,0,0|1,0,1]=4 8796 B12R1.436 CSc1cccc(c1)C(C)(C)C 62a_200000210301_100009816526 [0,2,0,0,0,0|1,0,1]=4 8797 B12R1.436 CSc1cccc(c1)C(C)(C)N 62a_100016995529_200000210301 [0,2,0,0,0,0|1,0,1]=4 8798 B12R1.436 CSc1cccc(c1)C(C)(C)N 62a_200000210301_100016995529 [0,2,0,0,0,0|1,0,1]=4 8799 B12R1.436 CSc1cccc(c1)C(C)(C)O 62a_100011346009_200000210301 [0,2,0,0,0,0|0,0,2]=4 8800 B12R1.436 CSc1cccc(c1)C(C)(C)O 62a_200000210301_100011346009 [0,2,0,0,0,0|0,0,2]=4 8801 B12R1.436 CSc1cccc(c1)C(C)(F)F 62a_100010232180_200000210301 [0,2,0,0,0,0|1,0,1]=4 8802 B12R1.436 CSc1cccc(c1)C(C)(F)F 62a_200000210301_100010232180 [0,2,0,0,0,0|1,0,1]=4 8803 B12R1.436 CSc1cccc(c1)S(=O)(=O)C 62a_100009815773_200000210301 [0,2,0,0,0,0|1,0,0]=3 8804 B12R1.436 CSc1cccc(c1)S(=O)(=O)C 62a_200000210301_100009815773 [0,2,0,0,0,0|1,0,0]=3 8805 B12R1.436 CSc1cccc(c1)S(=O)(=O)N 62a_100000164563_200000210301 [0,2,0,0,0,0|2,0,0]=4 8806 B12R1.436 CSc1cccc(c1)S(=O)(=O)N 62a_200000210301_100000164563 [0,2,0,0,0,0|2,0,0]=4 8807 B12R1.436 CSc1cccc(c1)[Si](C)(C)C 62a_100009816414_200000210301 [0,2,0,0,0,0|1,1,0]=4 8808 B12R1.436 CSc1cccc(c1)[Si](C)(C)C 62a_200000210301_100009816414 [0,2,0,0,0,0|1,1,0]=4 8809 B12R1.436 CSc1cccc(n1)S(=O)(=O)C 62a_100010191205_200000210301 [0,2,0,0,0,0|2,0,0]=4 8810 B12R1.436 CSc1cccc(n1)S(=O)(=O)C 62a_200000210301_100010191205 [0,2,0,0,0,0|2,0,0]=4 8811 B12R1.436 CSc1cncc(c1)S(=O)(=O)C 62a_100000702611_200000210301 [0,2,0,0,0,0|2,0,0]=4 8812 B12R1.436 CSc1cncc(c1)S(=O)(=O)C 62a_200000210301_100000702611 [0,2,0,0,0,0|2,0,0]=4 8813 B12R1.436 C[Si](C)(C)c1cccc(c1)S[13CH3] 62a_100009816414_200025704644 [0,2,0,0,0,0|1,1,0]=4 8814 B12R1.436 C[Si](C)(C)c1cccc(c1)S[13CH3] 62a_200025704644_100009816414 [0,2,0,0,0,0|1,1,0]=4 8815 B12R1.436 [13CH3]Nc1cccc(c1)S(=O)(=O)N 34a_100000182236_200025704644 [0,2,0,0,0,0|2,0,0]=4 8816 B12R1.436 [13CH3]Oc1cccc(c1)S(=O)(=O)[O-] 7a_100000116945_200025704644 [0,2,0,0,0,0|2,0,0]=4 8817 B12R1.436 [13CH3]Sc1cccc(c1)S(=O)(=O)N 62a_100000164563_200025704644 [0,2,0,0,0,0|2,0,0]=4 8818 B12R1.436 [13CH3]Sc1cccc(c1)S(=O)(=O)N 62a_200025704644_100000164563 [0,2,0,0,0,0|2,0,0]=4 8819 B12R1.87 C=C(C)c1cccc(c1C#N)Br 271570a_100000694244_100010071968 [0,2,0,0,0,0|2,0,0]=4 8820 B12R1.87 C=C(C)c1cccc(c1C#N)C 271570a_100000694244_100009819585 [0,2,0,0,0,0|1,0,0]=3 8821 B12R1.87 C=C(C)c1cccc(c1C#N)Cl 271570a_100000694244_200000049503 [0,2,0,0,0,0|2,0,0]=4 8822 B12R1.87 C=C(C)c1cccc(c1C#N)F 271570a_100000694244_100000699744 [0,2,0,0,0,0|2,0,0]=4 8823 B12R1.87 C=C(C)c1cccc(c1C#N)N 271570a_100000694244_100011935054 [0,2,0,0,0,0|2,0,0]=4 8824 B12R1.87 C=C(C)c1cccc(c1C#N)O 271570a_100000694244_100012180507 [0,2,0,0,0,0|2,0,0]=4 8825 B12R1.87 C=C(C)c1cccc(c1C=O)C 271570a_100000694244_100000041122 [0,2,0,0,0,0|1,0,0]=3 8826 B12R1.87 C=C(C)c1cccc(c1C=O)Cl 271570a_100000694244_100010147682 [0,2,0,0,0,0|2,0,0]=4 8827 B12R1.87 C=C(C)c1cccc(c1C=O)F 271570a_100000694244_100000210083 [0,2,0,0,0,0|2,0,0]=4 8828 B12R1.87 C=C(C)c1cccc(c1C=O)N 271570a_100000694244_100010232536 [0,2,0,0,0,0|2,0,0]=4 8829 B12R1.87 C=C(C)c1cccc(c1C=O)O 271570a_100000694244_100009814793 [0,2,0,0,0,0|2,0,0]=4 8830 B12R1.87 C=C(C)c1cccc(c1CN)F 271570a_100000694244_100012349121 [0,2,0,0,0,0|2,0,0]=4 8831 B12R1.87 C=C(C)c1cccc(c1CO)F 271570a_100000694244_100012355691 [0,2,0,0,0,0|2,0,0]=4 8832 B12R1.87 C=C(C)c1cccc(c1CO)N 271570a_100000694244_100000747656 [0,2,0,0,0,0|2,0,0]=4 8833 B12R1.87 C=C(C)c1cccc(c1NC)N 271570a_100000694244_100010510394 [0,2,0,0,0,0|2,0,0]=4 8834 B12R1.87 C=C(C)c1cccc(c1NN)F 271570a_100000694244_100016994982 [0,2,0,0,0,0|2,0,0]=4 8835 B12R1.87 C=C(C)c1cccc(c1OC)Br 271570a_100000694244_100010146560 [0,2,0,0,0,0|2,0,0]=4 8836 B12R1.87 C=C(C)c1cccc(c1OC)C 271570a_100000694244_100010141385 [0,2,0,0,0,0|1,0,0]=3 8837 B12R1.87 C=C(C)c1cccc(c1OC)Cl 271570a_100000694244_100010147678 [0,2,0,0,0,0|2,0,0]=4 8838 B12R1.87 C=C(C)c1cccc(c1OC)F 271570a_100000694244_100009816759 [0,2,0,0,0,0|2,0,0]=4 8839 B12R1.87 C=C(C)c1cccc(c1OC)N 271570a_100000694244_100011935253 [0,2,0,0,0,0|2,0,0]=4 8840 B12R1.87 C=C(C)c1cccc(c1OC)O 271570a_100000694244_100010234590 [0,2,0,0,0,0|2,0,0]=4 8841 B12R1.87 C=C(C)c1cccc(c1SC)F 271570a_100000694244_200010709249 [0,2,0,0,0,0|2,0,0]=4 8842 B12R1.87 C=C(C)c1ccnc(c1OC)C 271570a_100000694244_100000685116 [0,2,0,0,0,0|2,0,0]=4 8843 B12R1.87 C=C(C)c1cncc(c1C#N)C 271570a_100000694244_200009887794 [0,2,0,0,0,0|2,0,0]=4 8844 B12R1.87 C=C(C)c1nccc(c1C#N)C 271570a_100000694244_100000691447 [0,2,0,0,0,0|2,0,0]=4 8845 B12R1.87 C=Cc1c(cccc1C(=O)C)F 271570a_100011290941_100012362612 [0,2,0,0,0,0|1,0,0]=3 8846 B12R1.87 C=Cc1c(cccc1C(=O)N)C 271570a_100011290941_200011409216 [0,2,0,0,0,0|1,0,0]=3 8847 B12R1.87 C=Cc1c(cccc1C(=O)N)F 271570a_100011290941_200012351544 [0,2,0,0,0,0|2,0,0]=4 8848 B12R1.87 CC(=O)c1cccc(c1C#N)F 1458a_100000702252_200000210301 [0,2,0,0,0,0|1,0,0]=3 8849 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 34a_100009847209_200025704644 [0,2,0,0,0,0|0,0,0]=2 8850 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 7a_100009847209_200025704644 [0,2,0,0,0,0|0,0,0]=2 8851 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 34a_100000043392_200025704644 [0,2,0,0,0,0|1,0,0]=3 8852 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 7a_100000043392_200025704644 [0,2,0,0,0,0|1,0,0]=3 8853 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 34a_100011246037_200025704644 [0,2,0,0,0,0|1,0,0]=3 8854 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 7a_100011246037_200025704644 [0,2,0,0,0,0|1,0,0]=3 8855 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_100012362612_200025704644 [0,2,0,0,0,0|1,0,0]=3 8856 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012362612 [0,2,0,0,0,0|1,0,0]=3 8857 B12R1.87 CCc1c(cccc1C(=O)C)Br 1458a_100010125490_200000210301 [0,2,0,0,0,0|1,0,0]=3 8858 B12R1.87 CCc1c(cccc1C(=O)[13CH3])Br 1458a_100010125490_200025704644 [0,2,0,0,0,0|1,0,0]=3 8859 B12R1.87 CNc1c(cccc1C(=O)N)C 34a_100000223273_200000210301 [0,2,0,0,0,0|1,0,0]=3 8860 B12R1.87 CNc1c(cccc1C(=O)N)Cl 34a_200011997947_200000210301 [0,2,0,0,0,0|2,0,0]=4 8861 B12R1.87 CNc1c(cccc1C(=O)N)F 34a_100011722151_200000210301 [0,2,0,0,0,0|2,0,0]=4 8862 B12R1.87 CNc1c(cccc1C(C)C)C 2230a_100138557336_200000210301 [0,2,0,0,0,0|1,0,1]=4 8863 B12R1.87 CNc1c(cccc1C(C)C)C 34a_100138557336_200000210301 [0,2,0,0,0,0|1,0,1]=4 8864 B12R1.87 CNc1c(cccc1C(C)C)C 7a_100138557336_200000210301 [0,2,0,0,0,0|1,0,1]=4 8865 B12R1.87 COc1c(cccc1C(=O)C)Br 1458a_100000689802_200000210301 [0,2,0,0,0,0|1,0,0]=3 8866 B12R1.87 COc1c(cccc1C(=O)C)C 1458a_100000187929_200000210301 [0,2,0,0,0,0|0,0,0]=2 8867 B12R1.87 COc1c(cccc1C(=O)C)C 34a_100009847209_200000210301 [0,2,0,0,0,0|0,0,0]=2 8868 B12R1.87 COc1c(cccc1C(=O)C)C 7a_100009847209_200000210301 [0,2,0,0,0,0|0,0,0]=2 8869 B12R1.87 COc1c(cccc1C(=O)C)Cl 1458a_100011934004_200000210301 [0,2,0,0,0,0|1,0,0]=3 8870 B12R1.87 COc1c(cccc1C(=O)C)Cl 34a_100000043392_200000210301 [0,2,0,0,0,0|1,0,0]=3 8871 B12R1.87 COc1c(cccc1C(=O)C)Cl 7a_100000043392_200000210301 [0,2,0,0,0,0|1,0,0]=3 8872 B12R1.87 COc1c(cccc1C(=O)C)F 1458a_100011218433_200000210301 [0,2,0,0,0,0|1,0,0]=3 8873 B12R1.87 COc1c(cccc1C(=O)C)F 34a_100011246037_200000210301 [0,2,0,0,0,0|1,0,0]=3 8874 B12R1.87 COc1c(cccc1C(=O)C)F 7a_100011246037_200000210301 [0,2,0,0,0,0|1,0,0]=3 8875 B12R1.87 COc1c(cccc1C(=O)C)O 1458a_100000080799_200000210301 [0,2,0,0,0,0|1,0,0]=3 8876 B12R1.87 COc1c(cccc1C(=O)C)O 271570a_203496583355_100010725610 [0,2,0,0,0,0|1,0,0]=3 8877 B12R1.87 COc1c(cccc1C(=O)N)Cl 34a_100009868166_200000210301 [0,2,0,0,0,0|2,0,0]=4 8878 B12R1.87 COc1c(cccc1C(=O)N)Cl 7a_100009868166_200000210301 [0,2,0,0,0,0|2,0,0]=4 8879 B12R1.87 COc1c(cccc1C(=O)N)F 34a_100009886295_200000210301 [0,2,0,0,0,0|2,0,0]=4 8880 B12R1.87 COc1c(cccc1C(=O)N)F 7a_100009886295_200000210301 [0,2,0,0,0,0|2,0,0]=4 8881 B12R1.87 COc1c(cccc1C(=O)N)O 271570a_203496583355_100010146779 [0,2,0,0,0,0|2,0,0]=4 8882 B12R1.87 COc1c(cccc1C(=O)[13CH3])Br 1458a_100000689802_200025704644 [0,2,0,0,0,0|1,0,0]=3 8883 B12R1.87 COc1c(cccc1C(=O)[13CH3])C 1458a_100000187929_200025704644 [0,2,0,0,0,0|0,0,0]=2 8884 B12R1.87 COc1c(cccc1C(=O)[13CH3])Cl 1458a_100011934004_200025704644 [0,2,0,0,0,0|1,0,0]=3 8885 B12R1.87 COc1c(cccc1C(=O)[13CH3])F 1458a_100011218433_200025704644 [0,2,0,0,0,0|1,0,0]=3 8886 B12R1.87 COc1c(cccc1C(=O)[13CH3])O 1458a_100000080799_200025704644 [0,2,0,0,0,0|1,0,0]=3 8887 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 34a_100000763257_200000210301 [0,2,0,0,0,0|2,0,0]=4 8888 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 7a_100000763257_200000210301 [0,2,0,0,0,0|2,0,0]=4 8889 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_100012362612_200000210301 [0,2,0,0,0,0|1,0,0]=3 8890 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_200000210301_100012362612 [0,2,0,0,0,0|1,0,0]=3 8891 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200000210301_200011409216 [0,2,0,0,0,0|1,0,0]=3 8892 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200011409216_200000210301 [0,2,0,0,0,0|1,0,0]=3 8893 B12R1.87 CSc1c(cccc1C(=O)N)F 62a_200000210301_200012351544 [0,2,0,0,0,0|2,0,0]=4 8894 B12R1.87 CSc1c(cccc1C(=O)N)F 62a_200012351544_200000210301 [0,2,0,0,0,0|2,0,0]=4 8895 B12R1.87 Cc1cccc(c1N[13CH3])C(=O)N 34a_100000223273_200025704644 [0,2,0,0,0,0|1,0,0]=3 8896 B12R1.87 Cc1cccc(c1N[13CH3])C(C)C 2230a_100138557336_200025704644 [0,2,0,0,0,0|1,0,1]=4 8897 B12R1.87 Cc1cccc(c1N[13CH3])C(C)C 34a_100138557336_200025704644 [0,2,0,0,0,0|1,0,1]=4 8898 B12R1.87 Cc1cccc(c1N[13CH3])C(C)C 7a_100138557336_200025704644 [0,2,0,0,0,0|1,0,1]=4 8899 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 34a_100000763257_200025704644 [0,2,0,0,0,0|2,0,0]=4 8900 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 7a_100000763257_200025704644 [0,2,0,0,0,0|2,0,0]=4 8901 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200011409216_200025704644 [0,2,0,0,0,0|1,0,0]=3 8902 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200025704644_200011409216 [0,2,0,0,0,0|1,0,0]=3 8903 B12R1.87 [13CH3]C(=O)c1cccc(c1C#N)F 1458a_100000702252_200025704644 [0,2,0,0,0,0|1,0,0]=3 8904 B12R1.87 [13CH3]Nc1c(cccc1C(=O)N)Cl 34a_200011997947_200025704644 [0,2,0,0,0,0|2,0,0]=4 8905 B12R1.87 [13CH3]Nc1c(cccc1C(=O)N)F 34a_100011722151_200025704644 [0,2,0,0,0,0|2,0,0]=4 8906 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 34a_100009868166_200025704644 [0,2,0,0,0,0|2,0,0]=4 8907 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 7a_100009868166_200025704644 [0,2,0,0,0,0|2,0,0]=4 8908 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 34a_100009886295_200025704644 [0,2,0,0,0,0|2,0,0]=4 8909 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 7a_100009886295_200025704644 [0,2,0,0,0,0|2,0,0]=4 8910 B12R1.87 [13CH3]Sc1c(cccc1C(=O)N)F 62a_200012351544_200025704644 [0,2,0,0,0,0|2,0,0]=4 8911 B12R1.87 [13CH3]Sc1c(cccc1C(=O)N)F 62a_200025704644_200012351544 [0,2,0,0,0,0|2,0,0]=4 8912 B12R1.440 C=C(C)c1cccc(c1Br)CO 271570a_100000694244_100010240205 [0,2,0,0,0,0|1,0,0]=3 8913 B12R1.440 C=C(C)c1cccc(c1C)C#N 271570a_100000694244_100000721996 [0,2,0,0,0,0|1,0,1]=4 8914 B12R1.440 C=C(C)c1cccc(c1C)C=O 271570a_100000694244_100012179384 [0,2,0,0,0,0|1,0,1]=4 8915 B12R1.440 C=C(C)c1cccc(c1C)CN 271570a_100000694244_100000724210 [0,2,0,0,0,0|1,0,0]=3 8916 B12R1.440 C=C(C)c1cccc(c1C)CO 271570a_100000694244_100000694458 [0,2,0,0,0,0|1,0,0]=3 8917 B12R1.440 C=C(C)c1cccc(c1C)OC 271570a_100000694244_100010002647 [0,2,0,0,0,0|1,0,0]=3 8918 B12R1.440 C=C(C)c1cccc(c1Cl)OC 271570a_100000694244_100010147677 [0,2,0,0,0,0|1,0,0]=3 8919 B12R1.440 C=C(C)c1cccc(c1F)C#N 271570a_100000694244_100011934600 [0,2,0,0,0,0|1,0,1]=4 8920 B12R1.440 C=C(C)c1cccc(c1F)C=O 271570a_100000694244_100000766533 [0,2,0,0,0,0|1,0,1]=4 8921 B12R1.440 C=C(C)c1cccc(c1F)CN 271570a_100000694244_100015189953 [0,2,0,0,0,0|1,0,0]=3 8922 B12R1.440 C=C(C)c1cccc(c1F)CO 271570a_100000694244_100011935076 [0,2,0,0,0,0|1,0,0]=3 8923 B12R1.440 C=C(C)c1cccc(c1F)OC 271570a_100000694244_100010185846 [0,2,0,0,0,0|1,0,0]=3 8924 B12R1.440 C=C(C)c1cccc(c1N)C#N 271570a_100000694244_100000690598 [0,2,0,0,0,0|1,0,1]=4 8925 B12R1.440 C=C(C)c1cccc(c1N)C=O 271570a_100000694244_100010144990 [0,2,0,0,0,0|1,0,1]=4 8926 B12R1.440 C=C(C)c1cccc(c1N)CO 271570a_100000694244_100012349457 [0,2,0,0,0,0|1,0,0]=3 8927 B12R1.440 C=C(C)c1cccc(c1N)NC 271570a_100000694244_100000695761 [0,2,0,0,0,0|1,0,0]=3 8928 B12R1.440 C=C(C)c1cccc(c1N)OC 271570a_100000694244_100000708083 [0,2,0,0,0,0|1,0,0]=3 8929 B12R1.440 C=C(C)c1cccc(c1O)C#N 271570a_100000694244_100009817103 [0,2,0,0,0,0|1,0,1]=4 8930 B12R1.440 C=C(C)c1cccc(c1O)C=O 271570a_100000694244_100000737635 [0,2,0,0,0,0|1,0,1]=4 8931 B12R1.440 C=C(C)c1cccc(c1O)CC 271570a_100000694244_200010001580 [0,2,0,0,0,0|1,0,0]=3 8932 B12R1.440 C=C(C)c1cccc(c1O)OC 271570a_100000694244_100000686866 [0,2,0,0,0,0|1,0,0]=3 8933 B12R1.440 C=C(C)c1ccnc(c1C)OC 271570a_100000694244_100010068544 [0,2,0,0,0,0|2,0,0]=4 8934 B12R1.440 C=C(C)c1ccnc(c1F)OC 271570a_100000694244_100009885657 [0,2,0,0,0,0|2,0,0]=4 8935 B12R1.440 C=C(C)c1cncc(c1C)OC 271570a_100000694244_100010136163 [0,2,0,0,0,0|2,0,0]=4 8936 B12R1.440 C=C(C)c1cncc(c1N)CO 271570a_100000694244_200010988789 [0,2,0,0,0,0|2,0,0]=4 8937 B12R1.440 C=C(C)c1nccc(c1C)OC 271570a_100000694244_100010067686 [0,2,0,0,0,0|2,0,0]=4 8938 B12R1.440 C=C(C)c1nccc(c1F)CO 271570a_100000694244_100000101314 [0,2,0,0,0,0|2,0,0]=4 8939 B12R1.440 C=C(C)c1nccc(c1F)OC 271570a_100000694244_200010136267 [0,2,0,0,0,0|2,0,0]=4 8940 B12R1.440 C=C(C)c1nccc(c1F)SC 271570a_100000694244_200021123860 [0,2,0,0,0,0|2,0,0]=4 8941 B12R1.440 C=C(C)c1nccc(c1N)NC 271570a_100000694244_200000076579 [0,2,0,0,0,0|2,0,0]=4 8942 B12R1.440 C=C(C)c1nccc(c1N)OC 271570a_100000694244_100000100113 [0,2,0,0,0,0|2,0,0]=4 8943 B12R1.440 C=Cc1cccc(c1C)C(=O)C 271570a_100011290941_100012706834 [0,2,0,0,0,0|0,0,1]=3 8944 B12R1.440 C=Cc1cccc(c1C)C(=O)N 271570a_100011290941_200012298201 [0,2,0,0,0,0|1,0,1]=4 8945 B12R1.440 C=Cc1cccc(c1F)C(=O)C 271570a_100011290941_100012355707 [0,2,0,0,0,0|0,0,1]=3 8946 B12R1.440 C=Cc1cccc(c1F)C(=O)N 271570a_100011290941_100012351131 [0,2,0,0,0,0|1,0,1]=4 8947 B12R1.440 C=Cc1cccc(c1N)C(=O)N 271570a_100011290941_100010144993 [0,2,0,0,0,0|1,0,1]=4 8948 B12R1.440 C=Cc1cccc(c1O)C(=O)C 271570a_100011290941_100009815558 [0,2,0,0,0,0|0,0,1]=3 8949 B12R1.440 C=Cc1ccnc(c1F)C(=O)C 271570a_100011290941_100010729024 [0,2,0,0,0,0|1,0,1]=4 8950 B12R1.440 C=Cc1nccc(c1N)C(=O)C 271570a_100011290941_200000063496 [0,2,0,0,0,0|1,0,1]=4 8951 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 34a_200009877264_200025704644 [0,2,0,0,0,0|0,0,0]=2 8952 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 7a_200009877264_200025704644 [0,2,0,0,0,0|0,0,0]=2 8953 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_100012706834_200025704644 [0,2,0,0,0,0|0,0,0]=2 8954 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_200025704644_100012706834 [0,2,0,0,0,0|0,0,0]=2 8955 B12R1.440 CC(=O)c1cccc(c1Cl)C#N 1458a_100009860865_200000210301 [0,2,0,0,0,0|0,0,1]=3 8956 B12R1.440 CC(=O)c1cccc(c1F)C#N 1458a_100011999812_200000210301 [0,2,0,0,0,0|0,0,1]=3 8957 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 34a_100009856408_200025704644 [0,2,0,0,0,0|0,0,0]=2 8958 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 7a_100009856408_200025704644 [0,2,0,0,0,0|0,0,0]=2 8959 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_100012355707_200025704644 [0,2,0,0,0,0|0,0,0]=2 8960 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_200025704644_100012355707 [0,2,0,0,0,0|0,0,0]=2 8961 B12R1.440 CC(=O)c1cccc(c1N)O[13CH3] 7a_100000036053_200025704644 [0,2,0,0,0,0|0,0,0]=2 8962 B12R1.440 CC(=O)c1cccc(c1O)C#N 1458a_100009886288_200000210301 [0,2,0,0,0,0|0,0,1]=3 8963 B12R1.440 CC(=O)c1ccnc(c1N)S[13CH3] 62a_200000063496_200025704644 [0,2,0,0,0,0|1,0,0]=3 8964 B12R1.440 CC(=O)c1ccnc(c1N)S[13CH3] 62a_200025704644_200000063496 [0,2,0,0,0,0|1,0,0]=3 8965 B12R1.440 CC(=O)c1nccc(c1F)S[13CH3] 62a_100010729024_200025704644 [0,2,0,0,0,0|1,0,0]=3 8966 B12R1.440 CC(=O)c1nccc(c1F)S[13CH3] 62a_200025704644_100010729024 [0,2,0,0,0,0|1,0,0]=3 8967 B12R1.440 CC(C)c1cccc(c1F)N[13CH3] 34a_100021981578_200025704644 [0,2,0,0,0,0|1,0,1]=4 8968 B12R1.440 CC(C)c1cccc(c1F)N[13CH3] 7a_100021981578_200025704644 [0,2,0,0,0,0|1,0,1]=4 8969 B12R1.440 CC(C)c1cccc(c1N)S[13CH3] 62a_100010571509_200025704644 [0,2,0,0,0,0|1,0,1]=4 8970 B12R1.440 CC(C)c1cccc(c1N)S[13CH3] 62a_200025704644_100010571509 [0,2,0,0,0,0|1,0,1]=4 8971 B12R1.440 CC(O)c1cccc(c1F)S[13CH3] 62a_200012356376_200025704644 [0,2,0,0,0,0|0,0,2]=4 8972 B12R1.440 CC(O)c1cccc(c1F)S[13CH3] 62a_200025704644_200012356376 [0,2,0,0,0,0|0,0,2]=4 8973 B12R1.440 CNc1cccc(c1C)C(=O)N 34a_100000738810_200000210301 [0,2,0,0,0,0|1,0,0]=3 8974 B12R1.440 CNc1cccc(c1C)C(=O)N 7a_100000738810_200000210301 [0,2,0,0,0,0|1,0,0]=3 8975 B12R1.440 CNc1cccc(c1F)C(=O)N 34a_100014075672_200000210301 [0,2,0,0,0,0|1,0,0]=3 8976 B12R1.440 CNc1cccc(c1F)C(C)C 34a_100021981578_200000210301 [0,2,0,0,0,0|1,0,1]=4 8977 B12R1.440 CNc1cccc(c1F)C(C)C 7a_100021981578_200000210301 [0,2,0,0,0,0|1,0,1]=4 8978 B12R1.440 CNc1cccc(c1F)[N+](=O)[O-] 34a_100000055607_200000210301 [0,2,0,0,0,0|2,0,0]=4 8979 B12R1.440 COc1cccc(c1Br)C(=O)C 1458a_100010245468_200000210301 [0,2,0,0,0,0|0,0,0]=2 8980 B12R1.440 COc1cccc(c1Br)C(=O)[13CH3] 1458a_100010245468_200025704644 [0,2,0,0,0,0|0,0,0]=2 8981 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200000210301 [0,2,0,0,0,0|2,0,0]=4 8982 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200000210301 [0,2,0,0,0,0|2,0,0]=4 8983 B12R1.440 COc1cccc(c1C)C(=O)C 1458a_100011217801_200000210301 [0,2,0,0,0,0|0,0,0]=2 8984 B12R1.440 COc1cccc(c1C)C(=O)C 34a_200009877264_200000210301 [0,2,0,0,0,0|0,0,0]=2 8985 B12R1.440 COc1cccc(c1C)C(=O)C 7a_200009877264_200000210301 [0,2,0,0,0,0|0,0,0]=2 8986 B12R1.440 COc1cccc(c1C)C(=O)[13CH3] 1458a_100011217801_200025704644 [0,2,0,0,0,0|0,0,0]=2 8987 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 34a_100000740326_200000210301 [0,2,0,0,0,0|2,0,0]=4 8988 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 7a_100000740326_200000210301 [0,2,0,0,0,0|2,0,0]=4 8989 B12R1.440 COc1cccc(c1Cl)C(=O)C 1458a_100000068443_200000210301 [0,2,0,0,0,0|0,0,0]=2 8990 B12R1.440 COc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000068443_200025704644 [0,2,0,0,0,0|0,0,0]=2 8991 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200000210301 [0,2,0,0,0,0|2,0,0]=4 8992 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200000210301 [0,2,0,0,0,0|2,0,0]=4 8993 B12R1.440 COc1cccc(c1F)C(=O)C 1458a_100000766180_200000210301 [0,2,0,0,0,0|0,0,0]=2 8994 B12R1.440 COc1cccc(c1F)C(=O)C 34a_100009856408_200000210301 [0,2,0,0,0,0|0,0,0]=2 8995 B12R1.440 COc1cccc(c1F)C(=O)C 7a_100009856408_200000210301 [0,2,0,0,0,0|0,0,0]=2 8996 B12R1.440 COc1cccc(c1F)C(=O)N 34a_100009841371_200000210301 [0,2,0,0,0,0|1,0,0]=3 8997 B12R1.440 COc1cccc(c1F)C(=O)N 7a_100009841371_200000210301 [0,2,0,0,0,0|1,0,0]=3 8998 B12R1.440 COc1cccc(c1F)C(=O)[13CH3] 1458a_100000766180_200025704644 [0,2,0,0,0,0|0,0,0]=2 8999 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200000210301 [0,2,0,0,0,0|2,0,0]=4 9000 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200000210301 [0,2,0,0,0,0|2,0,0]=4 9001 B12R1.440 COc1cccc(c1I)C(=O)C 1458a_100010075502_200000210301 [0,2,0,0,0,0|0,0,0]=2 9002 B12R1.440 COc1cccc(c1I)C(=O)[13CH3] 1458a_100010075502_200025704644 [0,2,0,0,0,0|0,0,0]=2 9003 B12R1.440 COc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200000210301 [0,2,0,0,0,0|2,0,0]=4 9004 B12R1.440 COc1cccc(c1N)C(=O)C 7a_100000036053_200000210301 [0,2,0,0,0,0|0,0,0]=2 9005 B12R1.440 COc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200000210301 [0,2,0,0,0,0|2,0,0]=4 9006 B12R1.440 COc1cccc(c1O)C(=O)C 1458a_100000212136_200000210301 [0,2,0,0,0,0|0,0,0]=2 9007 B12R1.440 COc1cccc(c1O)C(=O)[13CH3] 1458a_100000212136_200025704644 [0,2,0,0,0,0|0,0,0]=2 9008 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_100012706834_200000210301 [0,2,0,0,0,0|0,0,0]=2 9009 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_200000210301_100012706834 [0,2,0,0,0,0|0,0,0]=2 9010 B12R1.440 CSc1cccc(c1C)C(=O)N 62a_200000210301_200012298201 [0,2,0,0,0,0|1,0,0]=3 9011 B12R1.440 CSc1cccc(c1C)C(=O)N 62a_200012298201_200000210301 [0,2,0,0,0,0|1,0,0]=3 9012 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_100012355707_200000210301 [0,2,0,0,0,0|0,0,0]=2 9013 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_200000210301_100012355707 [0,2,0,0,0,0|0,0,0]=2 9014 B12R1.440 CSc1cccc(c1F)C(=O)N 62a_100012351131_200000210301 [0,2,0,0,0,0|1,0,0]=3 9015 B12R1.440 CSc1cccc(c1F)C(=O)N 62a_200000210301_100012351131 [0,2,0,0,0,0|1,0,0]=3 9016 B12R1.440 CSc1cccc(c1F)C(C)O 62a_200000210301_200012356376 [0,2,0,0,0,0|0,0,2]=4 9017 B12R1.440 CSc1cccc(c1F)C(C)O 62a_200012356376_200000210301 [0,2,0,0,0,0|0,0,2]=4 9018 B12R1.440 CSc1cccc(c1N)C(=O)N 62a_100010144993_200000210301 [0,2,0,0,0,0|1,0,0]=3 9019 B12R1.440 CSc1cccc(c1N)C(C)C 62a_100010571509_200000210301 [0,2,0,0,0,0|1,0,1]=4 9020 B12R1.440 CSc1cccc(c1N)C(C)C 62a_200000210301_100010571509 [0,2,0,0,0,0|1,0,1]=4 9021 B12R1.440 CSc1ccnc(c1F)C(=O)C 62a_100010729024_200000210301 [0,2,0,0,0,0|1,0,0]=3 9022 B12R1.440 CSc1ccnc(c1F)C(=O)C 62a_200000210301_100010729024 [0,2,0,0,0,0|1,0,0]=3 9023 B12R1.440 CSc1nccc(c1N)C(=O)C 62a_200000063496_200000210301 [0,2,0,0,0,0|1,0,0]=3 9024 B12R1.440 CSc1nccc(c1N)C(=O)C 62a_200000210301_200000063496 [0,2,0,0,0,0|1,0,0]=3 9025 B12R1.440 CSc1nccc(c1N)C(=O)N 62a_100000080204_200000210301 [0,2,0,0,0,0|2,0,0]=4 9026 B12R1.440 CSc1nccc(c1N)C(=O)N 62a_200000210301_100000080204 [0,2,0,0,0,0|2,0,0]=4 9027 B12R1.440 Cc1c(cccc1C(=O)N)N[13CH3] 34a_100000738810_200025704644 [0,2,0,0,0,0|1,0,0]=3 9028 B12R1.440 Cc1c(cccc1C(=O)N)N[13CH3] 7a_100000738810_200025704644 [0,2,0,0,0,0|1,0,0]=3 9029 B12R1.440 Cc1c(cccc1C(=O)N)S[13CH3] 62a_200012298201_200025704644 [0,2,0,0,0,0|1,0,0]=3 9030 B12R1.440 Cc1c(cccc1C(=O)N)S[13CH3] 62a_200025704644_200012298201 [0,2,0,0,0,0|1,0,0]=3 9031 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 34a_100000740326_200025704644 [0,2,0,0,0,0|2,0,0]=4 9032 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 7a_100000740326_200025704644 [0,2,0,0,0,0|2,0,0]=4 9033 B12R1.440 [13CH3]C(=O)c1cccc(c1Cl)C#N 1458a_100009860865_200025704644 [0,2,0,0,0,0|0,0,1]=3 9034 B12R1.440 [13CH3]C(=O)c1cccc(c1F)C#N 1458a_100011999812_200025704644 [0,2,0,0,0,0|0,0,1]=3 9035 B12R1.440 [13CH3]C(=O)c1cccc(c1O)C#N 1458a_100009886288_200025704644 [0,2,0,0,0,0|0,0,1]=3 9036 B12R1.440 [13CH3]Nc1cccc(c1F)C(=O)N 34a_100014075672_200025704644 [0,2,0,0,0,0|1,0,0]=3 9037 B12R1.440 [13CH3]Nc1cccc(c1F)[N+](=O)[O-] 34a_100000055607_200025704644 [0,2,0,0,0,0|2,0,0]=4 9038 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200025704644 [0,2,0,0,0,0|2,0,0]=4 9039 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200025704644 [0,2,0,0,0,0|2,0,0]=4 9040 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200025704644 [0,2,0,0,0,0|2,0,0]=4 9041 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200025704644 [0,2,0,0,0,0|2,0,0]=4 9042 B12R1.440 [13CH3]Oc1cccc(c1F)C(=O)N 34a_100009841371_200025704644 [0,2,0,0,0,0|1,0,0]=3 9043 B12R1.440 [13CH3]Oc1cccc(c1F)C(=O)N 7a_100009841371_200025704644 [0,2,0,0,0,0|1,0,0]=3 9044 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200025704644 [0,2,0,0,0,0|2,0,0]=4 9045 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200025704644 [0,2,0,0,0,0|2,0,0]=4 9046 B12R1.440 [13CH3]Oc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200025704644 [0,2,0,0,0,0|2,0,0]=4 9047 B12R1.440 [13CH3]Oc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200025704644 [0,2,0,0,0,0|2,0,0]=4 9048 B12R1.440 [13CH3]Sc1cccc(c1F)C(=O)N 62a_100012351131_200025704644 [0,2,0,0,0,0|1,0,0]=3 9049 B12R1.440 [13CH3]Sc1cccc(c1F)C(=O)N 62a_200025704644_100012351131 [0,2,0,0,0,0|1,0,0]=3 9050 B12R1.440 [13CH3]Sc1cccc(c1N)C(=O)N 62a_100010144993_200025704644 [0,2,0,0,0,0|1,0,0]=3 9051 B12R1.440 [13CH3]Sc1nccc(c1N)C(=O)N 62a_100000080204_200025704644 [0,2,0,0,0,0|2,0,0]=4 9052 B12R1.440 [13CH3]Sc1nccc(c1N)C(=O)N 62a_200025704644_100000080204 [0,2,0,0,0,0|2,0,0]=4 9053 B12R1.894 C=C(C)c1c(ccc(c1C)F)C 271570a_100000694244_100011068659 [0,2,0,0,0,0|2,0,0]=4 9054 B12R1.894 C=C(C)c1c(ccc(c1C)F)F 271570a_100000694244_100010167959 [0,2,0,0,0,0|2,0,0]=4 9055 B12R1.894 C=C(C)c1c(ccc(c1C)N)C 271570a_100000694244_106354213274 [0,2,0,0,0,0|2,0,0]=4 9056 B12R1.894 C=C(C)c1c(ccc(c1C)O)C 271570a_100000694244_100010659238 [0,2,0,0,0,0|2,0,0]=4 9057 B12R1.894 C=C(C)c1c(ccc(c1Cl)Br)N 271570a_100000694244_200010779962 [0,2,0,0,0,0|2,0,0]=4 9058 B12R1.894 C=C(C)c1c(ccc(c1Cl)Cl)Cl 271570a_100000694244_200010170825 [0,2,0,0,0,0|2,0,0]=4 9059 B12R1.894 C=C(C)c1c(ccc(c1Cl)Cl)F 271570a_100000694244_200015697950 [0,2,0,0,0,0|2,0,0]=4 9060 B12R1.894 C=C(C)c1c(ccc(c1Cl)Cl)N 271570a_100000694244_200011093878 [0,2,0,0,0,0|2,0,0]=4 9061 B12R1.894 C=C(C)c1c(ccc(c1Cl)F)Br 271570a_100000694244_200037249116 [0,2,0,0,0,0|2,0,0]=4 9062 B12R1.894 C=C(C)c1c(ccc(c1Cl)F)F 271570a_100000694244_100010167948 [0,2,0,0,0,0|2,0,0]=4 9063 B12R1.894 C=C(C)c1c(ccc(c1F)Br)Cl 271570a_100000694244_100011092007 [0,2,0,0,0,0|2,0,0]=4 9064 B12R1.894 C=C(C)c1c(ccc(c1F)Br)F 271570a_100000694244_100000722365 [0,2,0,0,0,0|2,0,0]=4 9065 B12R1.894 C=C(C)c1c(ccc(c1F)Cl)Br 271570a_100000694244_100011084128 [0,2,0,0,0,0|2,0,0]=4 9066 B12R1.894 C=C(C)c1c(ccc(c1F)Cl)F 271570a_100000694244_200010167938 [0,2,0,0,0,0|2,0,0]=4 9067 B12R1.894 C=C(C)c1c(ccc(c1F)Cl)N 271570a_100000694244_100010134325 [0,2,0,0,0,0|2,0,0]=4 9068 B12R1.894 C=C(C)c1c(ccc(c1F)F)F 271570a_100000694244_100009814005 [0,2,0,0,0,0|2,0,0]=4 9069 B12R1.894 C=C(C)c1c(ccc(c1F)F)N 271570a_100000694244_100010232473 [0,2,0,0,0,0|2,0,0]=4 9070 B12R1.894 C=C(C)c1c(ccc(c1F)N)F 271570a_100000694244_100010070858 [0,2,0,0,0,0|2,0,0]=4 9071 B12R1.894 C=C(C)c1c(ccc(c1N)F)F 271570a_100000694244_100014094178 [0,2,0,0,0,0|2,0,0]=4 9072 B12R1.894 C=C(C)c1c(ccc(c1N)N)F 271570a_100000694244_100010128261 [0,2,0,0,0,0|2,0,0]=4 9073 B12R1.894 C=C(C)c1c(ccc(c1O)F)C 271570a_100000694244_200010223207 [0,2,0,0,0,0|2,0,0]=4 9074 B12R1.894 C=C(C)c1c(ccc(c1O)F)F 271570a_100000694244_100010170822 [0,2,0,0,0,0|2,0,0]=4 9075 B12R1.894 CC(=O)c1c(ccc(c1Br)C)F 1458a_100000720849_200000210301 [0,2,0,0,0,0|0,0,0]=2 9076 B12R1.894 CC(=O)c1c(ccc(c1Br)F)F 1458a_100010245744_200000210301 [0,2,0,0,0,0|1,0,0]=3 9077 B12R1.894 CC(=O)c1c(ccc(c1C)Br)C 1458a_100012355652_200000210301 [0,2,0,0,0,0|1,0,0]=3 9078 B12R1.894 CC(=O)c1c(ccc(c1C)Br)F 1458a_100010768519_200000210301 [0,2,0,0,0,0|1,0,0]=3 9079 B12R1.894 CC(=O)c1c(ccc(c1C)F)Br 1458a_100010768524_200000210301 [0,2,0,0,0,0|1,0,0]=3 9080 B12R1.894 CC(=O)c1c(ccc(c1Cl)Br)Cl 1458a_100012350121_200000210301 [0,2,0,0,0,0|1,0,0]=3 9081 B12R1.894 CC(=O)c1c(ccc(c1Cl)Br)F 1458a_100010245877_200000210301 [0,2,0,0,0,0|1,0,0]=3 9082 B12R1.894 CC(=O)c1c(ccc(c1Cl)C)Br 1458a_200010769262_200000210301 [0,2,0,0,0,0|0,0,0]=2 9083 B12R1.894 CC(=O)c1c(ccc(c1Cl)C)F 1458a_100000036856_200000210301 [0,2,0,0,0,0|0,0,0]=2 9084 B12R1.894 CC(=O)c1c(ccc(c1Cl)Cl)Cl 1458a_100000182695_200000210301 [0,2,0,0,0,0|1,0,0]=3 9085 B12R1.894 CC(=O)c1c(ccc(c1Cl)Cl)F 1458a_100000061834_200000210301 [0,2,0,0,0,0|1,0,0]=3 9086 B12R1.894 CC(=O)c1c(ccc(c1Cl)F)Cl 1458a_100000068355_200000210301 [0,2,0,0,0,0|1,0,0]=3 9087 B12R1.894 CC(=O)c1c(ccc(c1Cl)F)F 1458a_100000043044_200000210301 [0,2,0,0,0,0|1,0,0]=3 9088 B12R1.894 CC(=O)c1c(ccc(c1F)Br)Br 1458a_100010233042_200000210301 [0,2,0,0,0,0|1,0,0]=3 9089 B12R1.894 CC(=O)c1c(ccc(c1F)Br)Cl 1458a_100010235752_200000210301 [0,2,0,0,0,0|1,0,0]=3 9090 B12R1.894 CC(=O)c1c(ccc(c1F)Br)F 1458a_100000721511_200000210301 [0,2,0,0,0,0|1,0,0]=3 9091 B12R1.894 CC(=O)c1c(ccc(c1F)C)Br 1458a_100010271678_200000210301 [0,2,0,0,0,0|0,0,0]=2 9092 B12R1.894 CC(=O)c1c(ccc(c1F)C)Cl 1458a_100000039063_200000210301 [0,2,0,0,0,0|0,0,0]=2 9093 B12R1.894 CC(=O)c1c(ccc(c1F)C)F 1458a_100000692215_200000210301 [0,2,0,0,0,0|0,0,0]=2 9094 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)Br 1458a_100010769261_200000210301 [0,2,0,0,0,0|1,0,0]=3 9095 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)Cl 1458a_100000061686_200000210301 [0,2,0,0,0,0|1,0,0]=3 9096 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)F 1458a_100011219569_200000210301 [0,2,0,0,0,0|1,0,0]=3 9097 B12R1.894 CC(=O)c1c(ccc(c1F)F)Br 1458a_100010177765_200000210301 [0,2,0,0,0,0|1,0,0]=3 9098 B12R1.894 CC(=O)c1c(ccc(c1F)F)Cl 1458a_100011998153_200000210301 [0,2,0,0,0,0|1,0,0]=3 9099 B12R1.894 CC(=O)c1c(ccc(c1F)F)F 1458a_100000031524_200000210301 [0,2,0,0,0,0|1,0,0]=3 9100 B12R1.894 CC(=O)c1c(ccc(c1F)F)I 1458a_100010177766_200000210301 [0,2,0,0,0,0|1,0,0]=3 9101 B12R1.894 CC(=O)c1c(ccc(c1F)F)O 1458a_100000062415_200000210301 [0,2,0,0,0,0|1,0,0]=3 9102 B12R1.894 CC(=O)c1c(ccc(c1F)I)Br 1458a_100010782274_200000210301 [0,2,0,0,0,0|1,0,0]=3 9103 B12R1.894 CC(=O)c1c(ccc(c1F)I)Cl 1458a_100021583479_200000210301 [0,2,0,0,0,0|1,0,0]=3 9104 B12R1.894 CC(=O)c1c(ccc(c1F)I)F 1458a_100012359589_200000210301 [0,2,0,0,0,0|1,0,0]=3 9105 B12R1.894 CC(=O)c1c(ccc(c1F)O)F 1458a_100000068660_200000210301 [0,2,0,0,0,0|1,0,0]=3 9106 B12R1.894 CC(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200000210301 [0,2,0,0,0,0|1,0,0]=3 9107 B12R1.894 CC(=O)c1c(ccc(c1O)C)C 1458a_100011255215_200000210301 [0,2,0,0,0,0|0,0,0]=2 9108 B12R1.894 CC(=O)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_200000210301 [0,2,0,0,0,0|1,0,0]=3 9109 B12R1.894 CC(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200000210301 [0,2,0,0,0,0|1,0,0]=3 9110 B12R1.894 CC(=O)c1c(ccc(c1O)F)F 1458a_100011830443_200000210301 [0,2,0,0,0,0|1,0,0]=3 9111 B12R1.894 Cc1c(ccc(c1C(=O)[13CH3])Br)F 1458a_100010768524_200025704644 [0,2,0,0,0,0|1,0,0]=3 9112 B12R1.894 Cc1c(ccc(c1C(=O)[13CH3])F)Br 1458a_100010768519_200025704644 [0,2,0,0,0,0|1,0,0]=3 9113 B12R1.894 Cc1ccc(c(c1Br)C(=O)[13CH3])F 1458a_100000720849_200025704644 [0,2,0,0,0,0|0,0,0]=2 9114 B12R1.894 Cc1ccc(c(c1C(=O)[13CH3])C)Br 1458a_100012355652_200025704644 [0,2,0,0,0,0|1,0,0]=3 9115 B12R1.894 Cc1ccc(c(c1Cl)C(=O)[13CH3])Br 1458a_200010769262_200025704644 [0,2,0,0,0,0|0,0,0]=2 9116 B12R1.894 Cc1ccc(c(c1Cl)C(=O)[13CH3])F 1458a_100000036856_200025704644 [0,2,0,0,0,0|0,0,0]=2 9117 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])Br 1458a_100010271678_200025704644 [0,2,0,0,0,0|0,0,0]=2 9118 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])Cl 1458a_100000039063_200025704644 [0,2,0,0,0,0|0,0,0]=2 9119 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])F 1458a_100000692215_200025704644 [0,2,0,0,0,0|0,0,0]=2 9120 B12R1.894 Cc1ccc(c(c1O)C(=O)[13CH3])C 1458a_100011255215_200025704644 [0,2,0,0,0,0|0,0,0]=2 9121 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Br)F)F 1458a_100010245744_200025704644 [0,2,0,0,0,0|1,0,0]=3 9122 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Br)Cl 1458a_100012350121_200025704644 [0,2,0,0,0,0|1,0,0]=3 9123 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Br)F 1458a_100010245877_200025704644 [0,2,0,0,0,0|1,0,0]=3 9124 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Cl)Cl 1458a_100000182695_200025704644 [0,2,0,0,0,0|1,0,0]=3 9125 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Cl)F 1458a_100000061834_200025704644 [0,2,0,0,0,0|1,0,0]=3 9126 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)F)Cl 1458a_100000068355_200025704644 [0,2,0,0,0,0|1,0,0]=3 9127 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)F)F 1458a_100000043044_200025704644 [0,2,0,0,0,0|1,0,0]=3 9128 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Br)Br 1458a_100010233042_200025704644 [0,2,0,0,0,0|1,0,0]=3 9129 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Br)Cl 1458a_100010235752_200025704644 [0,2,0,0,0,0|1,0,0]=3 9130 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Br)F 1458a_100000721511_200025704644 [0,2,0,0,0,0|1,0,0]=3 9131 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Cl)Br 1458a_100010769261_200025704644 [0,2,0,0,0,0|1,0,0]=3 9132 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Cl)Cl 1458a_100000061686_200025704644 [0,2,0,0,0,0|1,0,0]=3 9133 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Cl)F 1458a_100011219569_200025704644 [0,2,0,0,0,0|1,0,0]=3 9134 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)Br 1458a_100010177765_200025704644 [0,2,0,0,0,0|1,0,0]=3 9135 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)Cl 1458a_100011998153_200025704644 [0,2,0,0,0,0|1,0,0]=3 9136 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)F 1458a_100000031524_200025704644 [0,2,0,0,0,0|1,0,0]=3 9137 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)I 1458a_100010177766_200025704644 [0,2,0,0,0,0|1,0,0]=3 9138 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)O 1458a_100000062415_200025704644 [0,2,0,0,0,0|1,0,0]=3 9139 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)I)Br 1458a_100010782274_200025704644 [0,2,0,0,0,0|1,0,0]=3 9140 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)I)Cl 1458a_100021583479_200025704644 [0,2,0,0,0,0|1,0,0]=3 9141 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)I)F 1458a_100012359589_200025704644 [0,2,0,0,0,0|1,0,0]=3 9142 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)O)F 1458a_100000068660_200025704644 [0,2,0,0,0,0|1,0,0]=3 9143 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200025704644 [0,2,0,0,0,0|1,0,0]=3 9144 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_200025704644 [0,2,0,0,0,0|1,0,0]=3 9145 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200025704644 [0,2,0,0,0,0|1,0,0]=3 9146 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)F)F 1458a_100011830443_200025704644 [0,2,0,0,0,0|1,0,0]=3 9147 B12R1.46 C=C(C)c1cc(ccc1C#N)Br 271570a_100000694244_100010214477 [0,2,0,0,0,0|2,0,0]=4 9148 B12R1.46 C=C(C)c1cc(ccc1C#N)C 271570a_100000694244_100000693804 [0,2,0,0,0,0|1,0,0]=3 9149 B12R1.46 C=C(C)c1cc(ccc1C#N)Cl 271570a_100000694244_100012355178 [0,2,0,0,0,0|2,0,0]=4 9150 B12R1.46 C=C(C)c1cc(ccc1C#N)F 271570a_100000694244_100000747196 [0,2,0,0,0,0|2,0,0]=4 9151 B12R1.46 C=C(C)c1cc(ccc1C#N)N 271570a_100000694244_100000689153 [0,2,0,0,0,0|2,0,0]=4 9152 B12R1.46 C=C(C)c1cc(ccc1C#N)O 271570a_100000694244_100012184851 [0,2,0,0,0,0|2,0,0]=4 9153 B12R1.46 C=C(C)c1cc(ccc1C=O)Br 271570a_100000694244_100010146562 [0,2,0,0,0,0|2,0,0]=4 9154 B12R1.46 C=C(C)c1cc(ccc1C=O)C 271570a_100000694244_100000692596 [0,2,0,0,0,0|1,0,0]=3 9155 B12R1.46 C=C(C)c1cc(ccc1C=O)F 271570a_100000694244_100000752949 [0,2,0,0,0,0|2,0,0]=4 9156 B12R1.46 C=C(C)c1cc(ccc1C=O)O 271570a_100000694244_100011236494 [0,2,0,0,0,0|2,0,0]=4 9157 B12R1.46 C=C(C)c1cc(ccc1CN)F 271570a_100000694244_100000708791 [0,2,0,0,0,0|2,0,0]=4 9158 B12R1.46 C=C(C)c1cc(ccc1CO)Br 271570a_100000694244_100010146605 [0,2,0,0,0,0|2,0,0]=4 9159 B12R1.46 C=C(C)c1cc(ccc1CO)Cl 271570a_100000694244_100000722340 [0,2,0,0,0,0|2,0,0]=4 9160 B12R1.46 C=C(C)c1cc(ccc1CO)F 271570a_100000694244_100000744086 [0,2,0,0,0,0|2,0,0]=4 9161 B12R1.46 C=C(C)c1cc(ccc1CO)O 271570a_100000694244_100010146404 [0,2,0,0,0,0|2,0,0]=4 9162 B12R1.46 C=C(C)c1cc(ccc1NC)C 271570a_100000694244_100000221369 [0,2,0,0,0,0|1,0,0]=3 9163 B12R1.46 C=C(C)c1cc(ccc1NC)F 271570a_100000694244_100011246292 [0,2,0,0,0,0|2,0,0]=4 9164 B12R1.46 C=C(C)c1cc(ccc1NC)F 34a_100009961556_200000210301 [0,2,0,0,0,0|2,0,0]=4 9165 B12R1.46 C=C(C)c1cc(ccc1NN)C 271570a_100000694244_100016996181 [0,2,0,0,0,0|1,0,0]=3 9166 B12R1.46 C=C(C)c1cc(ccc1N[13CH3])F 34a_100009961556_200025704644 [0,2,0,0,0,0|2,0,0]=4 9167 B12R1.46 C=C(C)c1cc(ccc1OC)Br 271570a_100000694244_100012351588 [0,2,0,0,0,0|2,0,0]=4 9168 B12R1.46 C=C(C)c1cc(ccc1OC)C 271570a_100000694244_100000186399 [0,2,0,0,0,0|1,0,0]=3 9169 B12R1.46 C=C(C)c1cc(ccc1OC)Cl 271570a_100000694244_100011215930 [0,2,0,0,0,0|2,0,0]=4 9170 B12R1.46 C=C(C)c1cc(ccc1OC)F 271570a_100000694244_100000171694 [0,2,0,0,0,0|2,0,0]=4 9171 B12R1.46 C=C(C)c1cc(ccc1OC)N 271570a_100000694244_100000187427 [0,2,0,0,0,0|2,0,0]=4 9172 B12R1.46 C=C(C)c1cc(ccc1OC)O 271570a_100000694244_100010084122 [0,2,0,0,0,0|2,0,0]=4 9173 B12R1.46 C=C(C)c1cc(ccc1SC)C 271570a_100000694244_200010201864 [0,2,0,0,0,0|1,0,0]=3 9174 B12R1.46 C=C(C)c1cc(ccc1SC)F 271570a_100000694244_100009817003 [0,2,0,0,0,0|2,0,0]=4 9175 B12R1.46 C=C(C)c1cc(cnc1C#N)C 271570a_100000694244_100009874213 [0,2,0,0,0,0|2,0,0]=4 9176 B12R1.46 C=C(C)c1cc(cnc1NN)C 271570a_100000694244_100012357580 [0,2,0,0,0,0|2,0,0]=4 9177 B12R1.46 C=C(C)c1cc(cnc1OC)C 271570a_100000694244_100012353929 [0,2,0,0,0,0|2,0,0]=4 9178 B12R1.46 C=C(C)c1cc(ncc1CC)C 271570a_100000694244_100010291839 [0,2,0,0,0,0|2,0,0]=4 9179 B12R1.46 C=C(C)c1cc(ncc1OC)C 271570a_100000694244_100010109759 [0,2,0,0,0,0|2,0,0]=4 9180 B12R1.46 C=C(C)c1nc(ccc1C#N)C 271570a_100000694244_100000741175 [0,2,0,0,0,0|2,0,0]=4 9181 B12R1.46 C=C(C)c1nc(ccc1C=O)C 271570a_100000694244_100000085379 [0,2,0,0,0,0|2,0,0]=4 9182 B12R1.46 C=C(C)c1nc(ccc1CO)C 271570a_100000694244_102495338573 [0,2,0,0,0,0|2,0,0]=4 9183 B12R1.46 C=C(C)c1nc(ccc1OC)C 271570a_100000694244_100009820875 [0,2,0,0,0,0|2,0,0]=4 9184 B12R1.46 C=Cc1ccc(cc1C(=O)C)Br 271570a_100011290941_100012349576 [0,2,0,0,0,0|1,0,0]=3 9185 B12R1.46 C=Cc1ccc(cc1C(=O)C)C 271570a_100011290941_100012361225 [0,2,0,0,0,0|0,0,0]=2 9186 B12R1.46 C=Cc1ccc(cc1C(=O)C)F 271570a_100011290941_100012353695 [0,2,0,0,0,0|1,0,0]=3 9187 B12R1.46 C=Cc1ccc(cc1C(=O)C)N 271570a_100011290941_100012349454 [0,2,0,0,0,0|1,0,0]=3 9188 B12R1.46 C=Cc1ccc(cc1C(=O)N)Br 271570a_100011290941_200000162314 [0,2,0,0,0,0|2,0,0]=4 9189 B12R1.46 C=Cc1ccc(cc1C(=O)N)C 271570a_100011290941_200012349609 [0,2,0,0,0,0|1,0,0]=3 9190 B12R1.46 C=Cc1ccc(cc1C(=O)N)F 271570a_100011290941_100000206434 [0,2,0,0,0,0|2,0,0]=4 9191 B12R1.46 C=Cc1ccc(cc1C(=O)N)N 271570a_100011290941_100015186447 [0,2,0,0,0,0|2,0,0]=4 9192 B12R1.46 C=Cc1ncc(cc1C(=O)C)F 271570a_100011290941_100000118324 [0,2,0,0,0,0|2,0,0]=4 9193 B12R1.46 CC(=O)c1cc(ccc1C#N)F 1458a_100011217471_200000210301 [0,2,0,0,0,0|1,0,0]=3 9194 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [0,2,0,0,0,0|1,0,0]=3 9195 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [0,2,0,0,0,0|1,0,0]=3 9196 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [0,2,0,0,0,0|0,0,0]=2 9197 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [0,2,0,0,0,0|0,0,0]=2 9198 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [0,2,0,0,0,0|1,0,0]=3 9199 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [0,2,0,0,0,0|1,0,0]=3 9200 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [0,2,0,0,0,0|1,0,0]=3 9201 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [0,2,0,0,0,0|1,0,0]=3 9202 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [0,2,0,0,0,0|1,0,0]=3 9203 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])Br 62a_100012349576_200025704644 [0,2,0,0,0,0|1,0,0]=3 9204 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_100012361225_200025704644 [0,2,0,0,0,0|0,0,0]=2 9205 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012361225 [0,2,0,0,0,0|0,0,0]=2 9206 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_100012353695_200025704644 [0,2,0,0,0,0|1,0,0]=3 9207 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100010200798 [0,2,0,0,0,0|1,0,0]=3 9208 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])N 62a_100012349454_200025704644 [0,2,0,0,0,0|1,0,0]=3 9209 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_100000118324_200025704644 [0,2,0,0,0,0|2,0,0]=4 9210 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_200025704644_100000118324 [0,2,0,0,0,0|2,0,0]=4 9211 B12R1.46 CCc1ccc(cc1C(=O)C)Br 1458a_100012343961_200000210301 [0,2,0,0,0,0|1,0,0]=3 9212 B12R1.46 CCc1ccc(cc1C(=O)[13CH3])Br 1458a_100012343961_200025704644 [0,2,0,0,0,0|1,0,0]=3 9213 B12R1.46 CNc1ccc(cc1C(=O)N)Br 27a_100102657272_200000162314 [0,2,0,0,0,0|2,0,0]=4 9214 B12R1.46 CNc1ccc(cc1C(=O)N)Br 34a_100000740421_200000210301 [0,2,0,0,0,0|2,0,0]=4 9215 B12R1.46 CNc1ccc(cc1C(=O)N)Br 7a_100000740421_200000210301 [0,2,0,0,0,0|2,0,0]=4 9216 B12R1.46 CNc1ccc(cc1C(=O)N)C 34a_100011692829_200000210301 [0,2,0,0,0,0|1,0,0]=3 9217 B12R1.46 CNc1ccc(cc1C(=O)N)Cl 34a_100000743835_200000210301 [0,2,0,0,0,0|2,0,0]=4 9218 B12R1.46 CNc1ccc(cc1C(=O)N)Cl 7a_100000743835_200000210301 [0,2,0,0,0,0|2,0,0]=4 9219 B12R1.46 CNc1ccc(cc1C(=O)N)F 34a_100000741173_200000210301 [0,2,0,0,0,0|2,0,0]=4 9220 B12R1.46 CNc1ccc(cc1C(=O)N)F 7a_100000741173_200000210301 [0,2,0,0,0,0|2,0,0]=4 9221 B12R1.46 CNc1ccc(cc1C(=O)N)O 271570a_203496583355_200010114593 [0,2,0,0,0,0|2,0,0]=4 9222 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [0,2,0,0,0,0|1,0,0]=3 9223 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [0,2,0,0,0,0|1,0,0]=3 9224 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [0,2,0,0,0,0|1,0,0]=3 9225 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [0,2,0,0,0,0|0,0,0]=2 9226 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [0,2,0,0,0,0|0,0,0]=2 9227 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [0,2,0,0,0,0|0,0,0]=2 9228 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [0,2,0,0,0,0|1,0,0]=3 9229 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [0,2,0,0,0,0|1,0,0]=3 9230 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [0,2,0,0,0,0|1,0,0]=3 9231 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [0,2,0,0,0,0|1,0,0]=3 9232 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [0,2,0,0,0,0|1,0,0]=3 9233 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [0,2,0,0,0,0|1,0,0]=3 9234 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [0,2,0,0,0,0|1,0,0]=3 9235 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [0,2,0,0,0,0|1,0,0]=3 9236 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [0,2,0,0,0,0|1,0,0]=3 9237 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [0,2,0,0,0,0|1,0,0]=3 9238 B12R1.46 COc1ccc(cc1C(=O)N)Br 34a_100000192807_200000210301 [0,2,0,0,0,0|2,0,0]=4 9239 B12R1.46 COc1ccc(cc1C(=O)N)Br 7a_100000192807_200000210301 [0,2,0,0,0,0|2,0,0]=4 9240 B12R1.46 COc1ccc(cc1C(=O)N)C 34a_200000192840_200000210301 [0,2,0,0,0,0|1,0,0]=3 9241 B12R1.46 COc1ccc(cc1C(=O)N)C 7a_200000192840_200000210301 [0,2,0,0,0,0|1,0,0]=3 9242 B12R1.46 COc1ccc(cc1C(=O)N)Cl 34a_100000185026_200000210301 [0,2,0,0,0,0|2,0,0]=4 9243 B12R1.46 COc1ccc(cc1C(=O)N)Cl 7a_100000185026_200000210301 [0,2,0,0,0,0|2,0,0]=4 9244 B12R1.46 COc1ccc(cc1C(=O)N)F 34a_100012186459_200000210301 [0,2,0,0,0,0|2,0,0]=4 9245 B12R1.46 COc1ccc(cc1C(=O)N)F 7a_100012186459_200000210301 [0,2,0,0,0,0|2,0,0]=4 9246 B12R1.46 COc1ccc(cc1C(=O)N)I 34a_100000192813_200000210301 [0,2,0,0,0,0|2,0,0]=4 9247 B12R1.46 COc1ccc(cc1C(=O)N)I 7a_100000192813_200000210301 [0,2,0,0,0,0|2,0,0]=4 9248 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [0,2,0,0,0,0|1,0,0]=3 9249 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [0,2,0,0,0,0|0,0,0]=2 9250 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [0,2,0,0,0,0|1,0,0]=3 9251 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [0,2,0,0,0,0|1,0,0]=3 9252 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [0,2,0,0,0,0|1,0,0]=3 9253 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [0,2,0,0,0,0|1,0,0]=3 9254 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 34a_100000195567_200000210301 [0,2,0,0,0,0|2,0,0]=4 9255 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 7a_100000195567_200000210301 [0,2,0,0,0,0|2,0,0]=4 9256 B12R1.46 COc1ncc(cc1C(=O)C)O 271570a_203496583355_100010135678 [0,2,0,0,0,0|2,0,0]=4 9257 B12R1.46 CSc1ccc(cc1C(=O)C)Br 62a_100012349576_200000210301 [0,2,0,0,0,0|1,0,0]=3 9258 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_100012361225_200000210301 [0,2,0,0,0,0|0,0,0]=2 9259 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_200000210301_100012361225 [0,2,0,0,0,0|0,0,0]=2 9260 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_100012353695_200000210301 [0,2,0,0,0,0|1,0,0]=3 9261 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_200000210301_100010200798 [0,2,0,0,0,0|1,0,0]=3 9262 B12R1.46 CSc1ccc(cc1C(=O)C)N 62a_100012349454_200000210301 [0,2,0,0,0,0|1,0,0]=3 9263 B12R1.46 CSc1ccc(cc1C(=O)N)Br 62a_200000162314_200000210301 [0,2,0,0,0,0|2,0,0]=4 9264 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200000210301_200012349609 [0,2,0,0,0,0|1,0,0]=3 9265 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200012349609_200000210301 [0,2,0,0,0,0|1,0,0]=3 9266 B12R1.46 CSc1ccc(cc1C(=O)N)F 62a_100000206434_200000210301 [0,2,0,0,0,0|2,0,0]=4 9267 B12R1.46 CSc1ccc(cc1C(=O)N)F 62a_200000210301_100000206434 [0,2,0,0,0,0|2,0,0]=4 9268 B12R1.46 CSc1ccc(cc1C(=O)N)N 62a_100015186447_200000210301 [0,2,0,0,0,0|2,0,0]=4 9269 B12R1.46 CSc1ccc(cc1C(=O)O)Br 62a_100011072988_200000210301 [0,2,0,0,0,0|2,0,0]=4 9270 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_100000118324_200000210301 [0,2,0,0,0,0|2,0,0]=4 9271 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_200000210301_100000118324 [0,2,0,0,0,0|2,0,0]=4 9272 B12R1.46 Cc1ccc(c(c1)C(=O)N)N[13CH3] 34a_100011692829_200025704644 [0,2,0,0,0,0|1,0,0]=3 9273 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 34a_200000192840_200025704644 [0,2,0,0,0,0|1,0,0]=3 9274 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 7a_200000192840_200025704644 [0,2,0,0,0,0|1,0,0]=3 9275 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200012349609_200025704644 [0,2,0,0,0,0|1,0,0]=3 9276 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200025704644_200012349609 [0,2,0,0,0,0|1,0,0]=3 9277 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 34a_100000195567_200025704644 [0,2,0,0,0,0|2,0,0]=4 9278 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000195567_200025704644 [0,2,0,0,0,0|2,0,0]=4 9279 B12R1.46 [13CH3]C(=O)c1cc(ccc1C#N)F 1458a_100011217471_200025704644 [0,2,0,0,0,0|1,0,0]=3 9280 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Br 34a_100000740421_200025704644 [0,2,0,0,0,0|2,0,0]=4 9281 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Br 7a_100000740421_200025704644 [0,2,0,0,0,0|2,0,0]=4 9282 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Cl 34a_100000743835_200025704644 [0,2,0,0,0,0|2,0,0]=4 9283 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Cl 7a_100000743835_200025704644 [0,2,0,0,0,0|2,0,0]=4 9284 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)F 34a_100000741173_200025704644 [0,2,0,0,0,0|2,0,0]=4 9285 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)F 7a_100000741173_200025704644 [0,2,0,0,0,0|2,0,0]=4 9286 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 34a_100000192807_200025704644 [0,2,0,0,0,0|2,0,0]=4 9287 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 7a_100000192807_200025704644 [0,2,0,0,0,0|2,0,0]=4 9288 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 34a_100000185026_200025704644 [0,2,0,0,0,0|2,0,0]=4 9289 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 7a_100000185026_200025704644 [0,2,0,0,0,0|2,0,0]=4 9290 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 34a_100012186459_200025704644 [0,2,0,0,0,0|2,0,0]=4 9291 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 7a_100012186459_200025704644 [0,2,0,0,0,0|2,0,0]=4 9292 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 34a_100000192813_200025704644 [0,2,0,0,0,0|2,0,0]=4 9293 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 7a_100000192813_200025704644 [0,2,0,0,0,0|2,0,0]=4 9294 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)Br 62a_200000162314_200025704644 [0,2,0,0,0,0|2,0,0]=4 9295 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)F 62a_100000206434_200025704644 [0,2,0,0,0,0|2,0,0]=4 9296 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)F 62a_200025704644_100000206434 [0,2,0,0,0,0|2,0,0]=4 9297 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)N 62a_100015186447_200025704644 [0,2,0,0,0,0|2,0,0]=4 9298 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)O)Br 62a_100011072988_200025704644 [0,2,0,0,0,0|2,0,0]=4 9299 B12R1.453 C=C(C)c1cc(ccc1Br)C#N 271570a_100000694244_100012349583 [0,2,0,0,0,0|1,0,1]=4 9300 B12R1.453 C=C(C)c1cc(ccc1Br)C=O 271570a_100000694244_100010146563 [0,2,0,0,0,0|1,0,1]=4 9301 B12R1.453 C=C(C)c1cc(ccc1Br)OC 271570a_100000694244_100009992028 [0,2,0,0,0,0|1,0,0]=3 9302 B12R1.453 C=C(C)c1cc(ccc1C)C#N 271570a_100000694244_100000690169 [0,2,0,0,0,0|1,0,1]=4 9303 B12R1.453 C=C(C)c1cc(ccc1C)C=O 271570a_100000694244_100000695567 [0,2,0,0,0,0|1,0,1]=4 9304 B12R1.453 C=C(C)c1cc(ccc1C)CO 271570a_100000694244_100000050133 [0,2,0,0,0,0|1,0,0]=3 9305 B12R1.453 C=C(C)c1cc(ccc1C)NC 271570a_100000694244_100000707694 [0,2,0,0,0,0|1,0,0]=3 9306 B12R1.453 C=C(C)c1cc(ccc1C)NN 271570a_100000694244_100016991967 [0,2,0,0,0,0|2,0,0]=4 9307 B12R1.453 C=C(C)c1cc(ccc1C)OC 271570a_100000694244_100012349166 [0,2,0,0,0,0|1,0,0]=3 9308 B12R1.453 C=C(C)c1cc(ccc1Cl)C#N 271570a_100000694244_100010199462 [0,2,0,0,0,0|1,0,1]=4 9309 B12R1.453 C=C(C)c1cc(ccc1Cl)C=O 271570a_100000694244_100010209939 [0,2,0,0,0,0|1,0,1]=4 9310 B12R1.453 C=C(C)c1cc(ccc1Cl)OC 271570a_100000694244_100011356938 [0,2,0,0,0,0|1,0,0]=3 9311 B12R1.453 C=C(C)c1cc(ccc1F)C#N 271570a_100000694244_100000188605 [0,2,0,0,0,0|1,0,1]=4 9312 B12R1.453 C=C(C)c1cc(ccc1F)C=O 271570a_100000694244_100000211747 [0,2,0,0,0,0|1,0,1]=4 9313 B12R1.453 C=C(C)c1cc(ccc1F)CC 271570a_100000694244_200010244628 [0,2,0,0,0,0|1,0,0]=3 9314 B12R1.453 C=C(C)c1cc(ccc1F)CN 271570a_100000694244_100015193890 [0,2,0,0,0,0|1,0,0]=3 9315 B12R1.453 C=C(C)c1cc(ccc1F)CO 271570a_100000694244_100000246287 [0,2,0,0,0,0|1,0,0]=3 9316 B12R1.453 C=C(C)c1cc(ccc1F)NN 271570a_100000694244_200025705588 [0,2,0,0,0,0|2,0,0]=4 9317 B12R1.453 C=C(C)c1cc(ccc1F)OC 271570a_100000694244_100000699733 [0,2,0,0,0,0|1,0,0]=3 9318 B12R1.453 C=C(C)c1cc(ccc1F)SC 271570a_100000694244_200010708804 [0,2,0,0,0,0|1,0,0]=3 9319 B12R1.453 C=C(C)c1cc(ccc1N)C#N 271570a_100000694244_100000736769 [0,2,0,0,0,0|1,0,1]=4 9320 B12R1.453 C=C(C)c1cc(ccc1N)CC 271570a_100000694244_100012339725 [0,2,0,0,0,0|1,0,0]=3 9321 B12R1.453 C=C(C)c1cc(ccc1N)OC 271570a_100000694244_100015195136 [0,2,0,0,0,0|1,0,0]=3 9322 B12R1.453 C=C(C)c1cc(ccc1O)C#N 271570a_100000694244_100000725478 [0,2,0,0,0,0|1,0,1]=4 9323 B12R1.453 C=C(C)c1cc(ccc1O)C=O 271570a_100000694244_100000184552 [0,2,0,0,0,0|1,0,1]=4 9324 B12R1.453 C=C(C)c1cc(ccc1O)CC 271570a_100000694244_100012339963 [0,2,0,0,0,0|1,0,0]=3 9325 B12R1.453 C=C(C)c1cc(ccc1O)CO 271570a_100000694244_100011191544 [0,2,0,0,0,0|1,0,0]=3 9326 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [0,2,0,0,0,0|1,0,0]=3 9327 B12R1.453 C=C(C)c1cc(cnc1Cl)CO 271570a_100000694244_200015217190 [0,2,0,0,0,0|2,0,0]=4 9328 B12R1.453 C=C(C)c1cc(cnc1F)OC 271570a_100000694244_100010068374 [0,2,0,0,0,0|2,0,0]=4 9329 B12R1.453 C=C(C)c1cc(cnc1N)CO 271570a_100000694244_100012343677 [0,2,0,0,0,0|2,0,0]=4 9330 B12R1.453 C=C(C)c1cc(ncc1C)CO 271570a_100000694244_100010113723 [0,2,0,0,0,0|2,0,0]=4 9331 B12R1.453 C=C(C)c1cc(ncc1C)OC 271570a_100000694244_100010068546 [0,2,0,0,0,0|2,0,0]=4 9332 B12R1.453 C=C(C)c1cc(ncc1Cl)OC 271570a_100000694244_100010068019 [0,2,0,0,0,0|2,0,0]=4 9333 B12R1.453 C=C(C)c1cc(ncc1F)OC 271570a_100000694244_100010160775 [0,2,0,0,0,0|2,0,0]=4 9334 B12R1.453 C=C(C)c1nc(ccc1N)OC 271570a_100000694244_100000069805 [0,2,0,0,0,0|2,0,0]=4 9335 B12R1.453 C=C(C)c1nc(ccc1O)CO 271570a_100000694244_200000118097 [0,2,0,0,0,0|2,0,0]=4 9336 B12R1.453 C=Cc1cc(c(cn1)F)C(=O)C 271570a_100011290941_100000697832 [0,2,0,0,0,0|1,0,1]=4 9337 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)C 271570a_100011290941_100012706819 [0,2,0,0,0,0|0,0,1]=3 9338 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100011290941_100010712560 [0,2,0,0,0,0|0,0,1]=3 9339 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)F 271570a_100011290941_100000689017 [0,2,0,0,0,0|0,0,1]=3 9340 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)N 271570a_100011290941_100000695420 [0,2,0,0,0,0|0,0,1]=3 9341 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [0,2,0,0,0,0|0,0,1]=3 9342 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)C 271570a_100011290941_100012257281 [0,2,0,0,0,0|1,0,1]=4 9343 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)F 271570a_100011290941_100000162119 [0,2,0,0,0,0|1,0,1]=4 9344 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)N 271570a_100011290941_100000740421 [0,2,0,0,0,0|1,0,1]=4 9345 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)O 271570a_100011290941_100000192807 [0,2,0,0,0,0|1,0,1]=4 9346 B12R1.453 C=Cc1ccc(c(n1)C(=O)C)F 271570a_100011290941_100009887703 [0,2,0,0,0,0|1,0,1]=4 9347 B12R1.453 C=Cc1cnc(c(c1)C(=O)C)C 271570a_100011290941_100138557192 [0,2,0,0,0,0|1,0,1]=4 9348 B12R1.453 C=Cc1cnc(c(c1)C(=O)C)F 271570a_100011290941_100010254234 [0,2,0,0,0,0|1,0,1]=4 9349 B12R1.453 C=Cc1cnc(c(c1)C(=O)C)N 271570a_100011290941_100010173950 [0,2,0,0,0,0|1,0,1]=4 9350 B12R1.453 CC(=O)c1cc(ccc1Br)C#N 1458a_100012361338_200000210301 [0,2,0,0,0,0|0,0,1]=3 9351 B12R1.453 CC(=O)c1cc(ccc1Br)CO 1458a_100010259715_200000210301 [0,2,0,0,0,0|0,0,0]=2 9352 B12R1.453 CC(=O)c1cc(ccc1C)C#N 1458a_200012187059_200000210301 [0,2,0,0,0,0|0,0,1]=3 9353 B12R1.453 CC(=O)c1cc(ccc1C)S[13CH3] 62a_100012706819_200025704644 [0,2,0,0,0,0|0,0,0]=2 9354 B12R1.453 CC(=O)c1cc(ccc1Cl)C#N 1458a_100000729836_200000210301 [0,2,0,0,0,0|0,0,1]=3 9355 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100009867868_200025704644 [0,2,0,0,0,0|0,0,0]=2 9356 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100009867868_200025704644 [0,2,0,0,0,0|0,0,0]=2 9357 B12R1.453 CC(=O)c1cc(ccc1Cl)S[13CH3] 62a_100010712560_200025704644 [0,2,0,0,0,0|0,0,0]=2 9358 B12R1.453 CC(=O)c1cc(ccc1F)C#N 1458a_100011218479_200000210301 [0,2,0,0,0,0|0,0,1]=3 9359 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 34a_100000091700_200025704644 [0,2,0,0,0,0|0,0,0]=2 9360 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 7a_100000091700_200025704644 [0,2,0,0,0,0|0,0,0]=2 9361 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_100000689017_200025704644 [0,2,0,0,0,0|0,0,0]=2 9362 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100010254839 [0,2,0,0,0,0|0,0,0]=2 9363 B12R1.453 CC(=O)c1cc(ccc1I)C#N 1458a_200010191847_200000210301 [0,2,0,0,0,0|0,0,1]=3 9364 B12R1.453 CC(=O)c1cc(ccc1N)S[13CH3] 62a_100000695420_200025704644 [0,2,0,0,0,0|0,0,0]=2 9365 B12R1.453 CC(=O)c1cc(ccc1O)C#N 1458a_100000719980_200000210301 [0,2,0,0,0,0|0,0,1]=3 9366 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [0,2,0,0,0,0|0,0,0]=2 9367 B12R1.453 CC(=O)c1cc(cnc1C)S[13CH3] 62a_100138557192_200025704644 [0,2,0,0,0,0|1,0,0]=3 9368 B12R1.453 CC(=O)c1cc(cnc1C)S[13CH3] 62a_200025704644_100138557192 [0,2,0,0,0,0|1,0,0]=3 9369 B12R1.453 CC(=O)c1cc(cnc1F)S[13CH3] 62a_100010254234_200025704644 [0,2,0,0,0,0|1,0,0]=3 9370 B12R1.453 CC(=O)c1cc(cnc1F)S[13CH3] 62a_200025704644_100010254234 [0,2,0,0,0,0|1,0,0]=3 9371 B12R1.453 CC(=O)c1cc(cnc1N)S[13CH3] 62a_100010173950_200025704644 [0,2,0,0,0,0|1,0,0]=3 9372 B12R1.453 CC(=O)c1cc(cnc1N)S[13CH3] 62a_200025704644_100010173950 [0,2,0,0,0,0|1,0,0]=3 9373 B12R1.453 CC(=O)c1cc(ncc1F)S[13CH3] 62a_100000697832_200025704644 [0,2,0,0,0,0|1,0,0]=3 9374 B12R1.453 CC(=O)c1cc(ncc1F)S[13CH3] 62a_200025704644_100000697832 [0,2,0,0,0,0|1,0,0]=3 9375 B12R1.453 CC(=O)c1nc(ccc1F)S[13CH3] 62a_100009887703_200025704644 [0,2,0,0,0,0|1,0,0]=3 9376 B12R1.453 CC(=O)c1nc(ccc1F)S[13CH3] 62a_200025704644_100009887703 [0,2,0,0,0,0|1,0,0]=3 9377 B12R1.453 CC(=O)c1nc(ncc1C)S[13CH3] 62a_100010687370_200025704644 [0,2,0,0,0,0|2,0,0]=4 9378 B12R1.453 CC(=O)c1nc(ncc1C)S[13CH3] 62a_200025704644_100010687370 [0,2,0,0,0,0|2,0,0]=4 9379 B12R1.453 CC(C)c1cc(ccc1F)S[13CH3] 62a_200025704644_200053017515 [0,2,0,0,0,0|1,0,1]=4 9380 B12R1.453 CC(C)c1cc(ccc1F)S[13CH3] 62a_200053017515_200025704644 [0,2,0,0,0,0|1,0,1]=4 9381 B12R1.453 CC(C)c1cc(ccc1N)S[13CH3] 62a_100000694223_200025704644 [0,2,0,0,0,0|1,0,1]=4 9382 B12R1.453 CC(C)c1cc(ccc1N)S[13CH3] 62a_200025704644_100000694223 [0,2,0,0,0,0|1,0,1]=4 9383 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_100000691460_200025704644 [0,2,0,0,0,0|1,0,1]=4 9384 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000691460 [0,2,0,0,0,0|1,0,1]=4 9385 B12R1.453 CC(O)c1cc(ccc1F)S[13CH3] 62a_100011943926_200025704644 [0,2,0,0,0,0|0,0,2]=4 9386 B12R1.453 CC(O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100011943926 [0,2,0,0,0,0|0,0,2]=4 9387 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [0,2,0,0,0,0|0,0,0]=2 9388 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [0,2,0,0,0,0|0,0,0]=2 9389 B12R1.453 CN(C)c1cc(ccc1F)S[13CH3] 62a_100010288836_200025704644 [0,2,0,0,0,0|2,0,0]=4 9390 B12R1.453 CN(C)c1cc(ccc1F)S[13CH3] 62a_200025704644_100010288836 [0,2,0,0,0,0|2,0,0]=4 9391 B12R1.453 CN(C)c1cc(ccc1I)O[13CH3] 34a_200010083878_200025704644 [0,2,0,0,0,0|2,0,0]=4 9392 B12R1.453 CNc1ccc(c(c1)C(=O)N)Br 34a_100015186447_200000210301 [0,2,0,0,0,0|1,0,0]=3 9393 B12R1.453 CNc1ccc(c(c1)C(=O)N)Br 7a_100015186447_200000210301 [0,2,0,0,0,0|1,0,0]=3 9394 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 34a_100000750465_200000210301 [0,2,0,0,0,0|1,0,0]=3 9395 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 7a_100000750465_200000210301 [0,2,0,0,0,0|1,0,0]=3 9396 B12R1.453 CNc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_200000210301 [0,2,0,0,0,0|1,0,0]=3 9397 B12R1.453 CNc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_200000210301 [0,2,0,0,0,0|1,0,0]=3 9398 B12R1.453 CNc1ccc(c(c1)C(=O)N)F 34a_100000738046_200000210301 [0,2,0,0,0,0|1,0,0]=3 9399 B12R1.453 CNc1ccc(c(c1)C(=O)N)F 7a_100000738046_200000210301 [0,2,0,0,0,0|1,0,0]=3 9400 B12R1.453 CNc1ccc(c(c1)N(C)C)C 34a_100011708272_200000210301 [0,2,0,0,0,0|2,0,0]=4 9401 B12R1.453 CNc1ccc(c(c1)[N+](=O)[O-])C 34a_100000210030_200000210301 [0,2,0,0,0,0|2,0,0]=4 9402 B12R1.453 CNc1ccc(c(c1)[N+](=O)[O-])F 34a_100000185763_200000210301 [0,2,0,0,0,0|2,0,0]=4 9403 B12R1.453 CNc1ncc(c(n1)C(=O)C)C 27a_100102657272_100010687370 [0,2,0,0,0,0|2,0,0]=4 9404 B12R1.453 COc1ccc(c(c1)C(=O)C)Br 1458a_100000211723_200000210301 [0,2,0,0,0,0|0,0,0]=2 9405 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [0,2,0,0,0,0|0,0,0]=2 9406 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 1458a_100000763818_200000210301 [0,2,0,0,0,0|0,0,0]=2 9407 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_200000210301 [0,2,0,0,0,0|0,0,0]=2 9408 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_200000210301 [0,2,0,0,0,0|0,0,0]=2 9409 B12R1.453 COc1ccc(c(c1)C(=O)C)F 1458a_100011217016_200000210301 [0,2,0,0,0,0|0,0,0]=2 9410 B12R1.453 COc1ccc(c(c1)C(=O)C)F 34a_100000091700_200000210301 [0,2,0,0,0,0|0,0,0]=2 9411 B12R1.453 COc1ccc(c(c1)C(=O)C)F 7a_100000091700_200000210301 [0,2,0,0,0,0|0,0,0]=2 9412 B12R1.453 COc1ccc(c(c1)C(=O)C)I 1458a_100012339533_200000210301 [0,2,0,0,0,0|0,0,0]=2 9413 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [0,2,0,0,0,0|0,0,0]=2 9414 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [0,2,0,0,0,0|0,0,0]=2 9415 B12R1.453 COc1ccc(c(c1)C(=O)N)O 271570a_203496583355_100000162014 [0,2,0,0,0,0|1,0,0]=3 9416 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000211723_200025704644 [0,2,0,0,0,0|0,0,0]=2 9417 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [0,2,0,0,0,0|0,0,0]=2 9418 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000763818_200025704644 [0,2,0,0,0,0|0,0,0]=2 9419 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])F 1458a_100011217016_200025704644 [0,2,0,0,0,0|0,0,0]=2 9420 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])I 1458a_100012339533_200025704644 [0,2,0,0,0,0|0,0,0]=2 9421 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [0,2,0,0,0,0|0,0,0]=2 9422 B12R1.453 COc1ccc(c(c1)N(C)C)C 34a_200000087912_200000210301 [0,2,0,0,0,0|2,0,0]=4 9423 B12R1.453 COc1ccc(c(c1)N(C)C)I 34a_200010083878_200000210301 [0,2,0,0,0,0|2,0,0]=4 9424 B12R1.453 COc1ccc(c(c1)[C@H](C)N)O 271570a_203496583355_200015425320 [0,2,0,0,0,0|1,0,1]=4 9425 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_200000210301 [0,2,0,0,0,0|2,0,0]=4 9426 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_200000210301 [0,2,0,0,0,0|2,0,0]=4 9427 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C 34a_100000742313_200000210301 [0,2,0,0,0,0|2,0,0]=4 9428 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C 7a_100000742313_200000210301 [0,2,0,0,0,0|2,0,0]=4 9429 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_200000210301 [0,2,0,0,0,0|2,0,0]=4 9430 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_200000210301 [0,2,0,0,0,0|2,0,0]=4 9431 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_200000210301 [0,2,0,0,0,0|2,0,0]=4 9432 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_200000210301 [0,2,0,0,0,0|2,0,0]=4 9433 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_200000210301 [0,2,0,0,0,0|2,0,0]=4 9434 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_200000210301 [0,2,0,0,0,0|2,0,0]=4 9435 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_200000210301 [0,2,0,0,0,0|2,0,0]=4 9436 B12R1.453 CSc1cc(c(cn1)F)C(=O)C 62a_100000697832_200000210301 [0,2,0,0,0,0|1,0,0]=3 9437 B12R1.453 CSc1cc(c(cn1)F)C(=O)C 62a_200000210301_100000697832 [0,2,0,0,0,0|1,0,0]=3 9438 B12R1.453 CSc1cc(c(cn1)F)C(=O)N 62a_100015943597_200000210301 [0,2,0,0,0,0|2,0,0]=4 9439 B12R1.453 CSc1cc(c(cn1)F)C(=O)N 62a_200000210301_100015943597 [0,2,0,0,0,0|2,0,0]=4 9440 B12R1.453 CSc1cc(c(cn1)N)C(=O)N 62a_100012003536_200000210301 [0,2,0,0,0,0|2,0,0]=4 9441 B12R1.453 CSc1cc(c(cn1)N)C(=O)N 62a_200000210301_100012003536 [0,2,0,0,0,0|2,0,0]=4 9442 B12R1.453 CSc1ccc(c(c1)C(=O)C)C 62a_100012706819_200000210301 [0,2,0,0,0,0|0,0,0]=2 9443 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 1458a_100000212015_200000210301 [0,2,0,0,0,0|0,0,0]=2 9444 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_200000210301 [0,2,0,0,0,0|0,0,0]=2 9445 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 1458a_200012183283_200000210301 [0,2,0,0,0,0|0,0,0]=2 9446 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_100000689017_200000210301 [0,2,0,0,0,0|0,0,0]=2 9447 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_200000210301_100010254839 [0,2,0,0,0,0|0,0,0]=2 9448 B12R1.453 CSc1ccc(c(c1)C(=O)C)N 62a_100000695420_200000210301 [0,2,0,0,0,0|0,0,0]=2 9449 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_100012257281_200000210301 [0,2,0,0,0,0|1,0,0]=3 9450 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_200000210301_100012257281 [0,2,0,0,0,0|1,0,0]=3 9451 B12R1.453 CSc1ccc(c(c1)C(=O)N)F 62a_100000162119_200000210301 [0,2,0,0,0,0|1,0,0]=3 9452 B12R1.453 CSc1ccc(c(c1)C(=O)N)N 62a_100000740421_200000210301 [0,2,0,0,0,0|1,0,0]=3 9453 B12R1.453 CSc1ccc(c(c1)C(=O)N)O 62a_100000192807_200000210301 [0,2,0,0,0,0|1,0,0]=3 9454 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000212015_200025704644 [0,2,0,0,0,0|0,0,0]=2 9455 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])F 1458a_200012183283_200025704644 [0,2,0,0,0,0|0,0,0]=2 9456 B12R1.453 CSc1ccc(c(c1)C(C)C)F 62a_200000210301_200053017515 [0,2,0,0,0,0|1,0,1]=4 9457 B12R1.453 CSc1ccc(c(c1)C(C)C)F 62a_200053017515_200000210301 [0,2,0,0,0,0|1,0,1]=4 9458 B12R1.453 CSc1ccc(c(c1)C(C)C)N 62a_100000694223_200000210301 [0,2,0,0,0,0|1,0,1]=4 9459 B12R1.453 CSc1ccc(c(c1)C(C)C)N 62a_200000210301_100000694223 [0,2,0,0,0,0|1,0,1]=4 9460 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_100000691460_200000210301 [0,2,0,0,0,0|1,0,1]=4 9461 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_200000210301_100000691460 [0,2,0,0,0,0|1,0,1]=4 9462 B12R1.453 CSc1ccc(c(c1)C(C)O)F 62a_100011943926_200000210301 [0,2,0,0,0,0|0,0,2]=4 9463 B12R1.453 CSc1ccc(c(c1)C(C)O)F 62a_200000210301_100011943926 [0,2,0,0,0,0|0,0,2]=4 9464 B12R1.453 CSc1ccc(c(c1)N(C)C)F 62a_100010288836_200000210301 [0,2,0,0,0,0|2,0,0]=4 9465 B12R1.453 CSc1ccc(c(c1)N(C)C)F 62a_200000210301_100010288836 [0,2,0,0,0,0|2,0,0]=4 9466 B12R1.453 CSc1ccc(c(n1)C(=O)C)F 62a_100009887703_200000210301 [0,2,0,0,0,0|1,0,0]=3 9467 B12R1.453 CSc1ccc(c(n1)C(=O)C)F 62a_200000210301_100009887703 [0,2,0,0,0,0|1,0,0]=3 9468 B12R1.453 CSc1ccc(c(n1)C(=O)N)N 62a_100000093116_200000210301 [0,2,0,0,0,0|2,0,0]=4 9469 B12R1.453 CSc1cnc(c(c1)C(=O)C)C 62a_100138557192_200000210301 [0,2,0,0,0,0|1,0,0]=3 9470 B12R1.453 CSc1cnc(c(c1)C(=O)C)C 62a_200000210301_100138557192 [0,2,0,0,0,0|1,0,0]=3 9471 B12R1.453 CSc1cnc(c(c1)C(=O)C)F 62a_100010254234_200000210301 [0,2,0,0,0,0|1,0,0]=3 9472 B12R1.453 CSc1cnc(c(c1)C(=O)C)F 62a_200000210301_100010254234 [0,2,0,0,0,0|1,0,0]=3 9473 B12R1.453 CSc1cnc(c(c1)C(=O)C)N 62a_100010173950_200000210301 [0,2,0,0,0,0|1,0,0]=3 9474 B12R1.453 CSc1cnc(c(c1)C(=O)C)N 62a_200000210301_100010173950 [0,2,0,0,0,0|1,0,0]=3 9475 B12R1.453 CSc1cnc(c(c1)C(=O)N)N 62a_100000701294_200000210301 [0,2,0,0,0,0|2,0,0]=4 9476 B12R1.453 CSc1cnc(c(c1)C(=O)N)N 62a_200000210301_100000701294 [0,2,0,0,0,0|2,0,0]=4 9477 B12R1.453 CSc1ncc(c(n1)C(=O)C)C 62a_100010687370_200000210301 [0,2,0,0,0,0|2,0,0]=4 9478 B12R1.453 CSc1ncc(c(n1)C(=O)C)C 62a_200000210301_100010687370 [0,2,0,0,0,0|2,0,0]=4 9479 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 34a_100000750465_200025704644 [0,2,0,0,0,0|1,0,0]=3 9480 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 7a_100000750465_200025704644 [0,2,0,0,0,0|1,0,0]=3 9481 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_100012257281_200025704644 [0,2,0,0,0,0|1,0,0]=3 9482 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_200025704644_100012257281 [0,2,0,0,0,0|1,0,0]=3 9483 B12R1.453 Cc1ccc(cc1C(=O)[13CH3])C#N 1458a_200012187059_200025704644 [0,2,0,0,0,0|0,0,1]=3 9484 B12R1.453 Cc1ccc(cc1N(C)C)N[13CH3] 34a_100011708272_200025704644 [0,2,0,0,0,0|2,0,0]=4 9485 B12R1.453 Cc1ccc(cc1N(C)C)O[13CH3] 34a_200000087912_200025704644 [0,2,0,0,0,0|2,0,0]=4 9486 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])N[13CH3] 34a_100000210030_200025704644 [0,2,0,0,0,0|2,0,0]=4 9487 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])O[13CH3] 34a_100000742313_200025704644 [0,2,0,0,0,0|2,0,0]=4 9488 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])O[13CH3] 7a_100000742313_200025704644 [0,2,0,0,0,0|2,0,0]=4 9489 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)C#N 1458a_100012361338_200025704644 [0,2,0,0,0,0|0,0,1]=3 9490 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)CO 1458a_100010259715_200025704644 [0,2,0,0,0,0|0,0,0]=2 9491 B12R1.453 [13CH3]C(=O)c1cc(ccc1Cl)C#N 1458a_100000729836_200025704644 [0,2,0,0,0,0|0,0,1]=3 9492 B12R1.453 [13CH3]C(=O)c1cc(ccc1F)C#N 1458a_100011218479_200025704644 [0,2,0,0,0,0|0,0,1]=3 9493 B12R1.453 [13CH3]C(=O)c1cc(ccc1I)C#N 1458a_200010191847_200025704644 [0,2,0,0,0,0|0,0,1]=3 9494 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)C#N 1458a_100000719980_200025704644 [0,2,0,0,0,0|0,0,1]=3 9495 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [0,2,0,0,0,0|0,0,0]=2 9496 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Br 34a_100015186447_200025704644 [0,2,0,0,0,0|1,0,0]=3 9497 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Br 7a_100015186447_200025704644 [0,2,0,0,0,0|1,0,0]=3 9498 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_200025704644 [0,2,0,0,0,0|1,0,0]=3 9499 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_200025704644 [0,2,0,0,0,0|1,0,0]=3 9500 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)F 34a_100000738046_200025704644 [0,2,0,0,0,0|1,0,0]=3 9501 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)F 7a_100000738046_200025704644 [0,2,0,0,0,0|1,0,0]=3 9502 B12R1.453 [13CH3]Nc1ccc(c(c1)[N+](=O)[O-])F 34a_100000185763_200025704644 [0,2,0,0,0,0|2,0,0]=4 9503 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_200025704644 [0,2,0,0,0,0|2,0,0]=4 9504 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_200025704644 [0,2,0,0,0,0|2,0,0]=4 9505 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_200025704644 [0,2,0,0,0,0|2,0,0]=4 9506 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_200025704644 [0,2,0,0,0,0|2,0,0]=4 9507 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_200025704644 [0,2,0,0,0,0|2,0,0]=4 9508 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_200025704644 [0,2,0,0,0,0|2,0,0]=4 9509 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_200025704644 [0,2,0,0,0,0|2,0,0]=4 9510 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_200025704644 [0,2,0,0,0,0|2,0,0]=4 9511 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_200025704644 [0,2,0,0,0,0|2,0,0]=4 9512 B12R1.453 [13CH3]Sc1cc(c(cn1)F)C(=O)N 62a_100015943597_200025704644 [0,2,0,0,0,0|2,0,0]=4 9513 B12R1.453 [13CH3]Sc1cc(c(cn1)F)C(=O)N 62a_200025704644_100015943597 [0,2,0,0,0,0|2,0,0]=4 9514 B12R1.453 [13CH3]Sc1cc(c(cn1)N)C(=O)N 62a_100012003536_200025704644 [0,2,0,0,0,0|2,0,0]=4 9515 B12R1.453 [13CH3]Sc1cc(c(cn1)N)C(=O)N 62a_200025704644_100012003536 [0,2,0,0,0,0|2,0,0]=4 9516 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)F 62a_100000162119_200025704644 [0,2,0,0,0,0|1,0,0]=3 9517 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)N 62a_100000740421_200025704644 [0,2,0,0,0,0|1,0,0]=3 9518 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)O 62a_100000192807_200025704644 [0,2,0,0,0,0|1,0,0]=3 9519 B12R1.453 [13CH3]Sc1ccc(c(n1)C(=O)N)N 62a_100000093116_200025704644 [0,2,0,0,0,0|2,0,0]=4 9520 B12R1.453 [13CH3]Sc1cnc(c(c1)C(=O)N)N 62a_100000701294_200025704644 [0,2,0,0,0,0|2,0,0]=4 9521 B12R1.453 [13CH3]Sc1cnc(c(c1)C(=O)N)N 62a_200025704644_100000701294 [0,2,0,0,0,0|2,0,0]=4 9522 B12R1.258 C=C(C)c1cc(ccn1)C(=O)C 271570a_100000694244_100000685609 [0,2,0,0,0,0|1,0,0]=3 9523 B12R1.258 C=C(C)c1cc(ccn1)C(=O)N 271570a_100000694244_100000229836 [0,2,0,0,0,0|2,0,0]=4 9524 B12R1.258 C=C(C)c1cc(ccn1)C(C)C 271570a_100000694244_100010237925 [0,2,0,0,0,0|2,0,0]=4 9525 B12R1.258 C=C(C)c1cc(ccn1)C(F)F 271570a_100000694244_100010180920 [0,2,0,0,0,0|2,0,0]=4 9526 B12R1.258 C=C(C)c1cc(ccn1)N(C)C 271570a_100000694244_100000766659 [0,2,0,0,0,0|2,0,0]=4 9527 B12R1.258 C=C(C)c1cccc(c1)B(O)O 271570a_100000694244_100000687717 [0,2,0,0,0,0|2,0,0]=4 9528 B12R1.258 C=C(C)c1cccc(c1)C(=C)C 271570a_100000694244_100012123953 [0,2,0,0,0,0|1,0,0]=3 9529 B12R1.258 C=C(C)c1cccc(c1)C(=O)C 271570a_100000694244_100000210093 [0,2,0,0,0,0|0,0,0]=2 9530 B12R1.258 C=C(C)c1cccc(c1)C(=O)N 271570a_100000694244_100000162208 [0,2,0,0,0,0|1,0,0]=3 9531 B12R1.258 C=C(C)c1cccc(c1)C(C)C 271570a_100000694244_100011214899 [0,2,0,0,0,0|1,0,0]=3 9532 B12R1.258 C=C(C)c1cccc(c1)C(C)N 271570a_100000694244_100020642005 [0,2,0,0,0,0|1,0,0]=3 9533 B12R1.258 C=C(C)c1cccc(c1)C(C)O 271570a_100000694244_100000246457 [0,2,0,0,0,0|1,0,0]=3 9534 B12R1.258 C=C(C)c1cccc(c1)C(F)F 271570a_100000694244_100009892619 [0,2,0,0,0,0|1,0,0]=3 9535 B12R1.258 C=C(C)c1cccc(c1)N(C)C 271570a_100000694244_100011215952 [0,2,0,0,0,0|1,0,0]=3 9536 B12R1.258 C=C(C)c1cccc(c1)S(=O)C 271570a_100000694244_100009816267 [0,2,0,0,0,0|1,0,0]=3 9537 B12R1.258 C=C(C)c1cccc(n1)C(=O)C 271570a_100000694244_100009816502 [0,2,0,0,0,0|1,0,0]=3 9538 B12R1.258 C=C(C)c1cccc(n1)C(=O)N 271570a_100000694244_100011834053 [0,2,0,0,0,0|2,0,0]=4 9539 B12R1.258 C=C(C)c1cccc(n1)C(C)C 271570a_100000694244_100012318657 [0,2,0,0,0,0|2,0,0]=4 9540 B12R1.258 C=C(C)c1cccc(n1)C(C)N 271570a_100000694244_200010173468 [0,2,0,0,0,0|2,0,0]=4 9541 B12R1.258 C=C(C)c1cccc(n1)C(C)O 271570a_100000694244_100009820884 [0,2,0,0,0,0|2,0,0]=4 9542 B12R1.258 C=C(C)c1cccc(n1)C(F)F 271570a_100000694244_100010208565 [0,2,0,0,0,0|2,0,0]=4 9543 B12R1.258 C=C(C)c1cccc(n1)N(C)C 271570a_100000694244_100011960435 [0,2,0,0,0,0|2,0,0]=4 9544 B12R1.258 C=C(C)c1ccnc(c1)C(=O)C 271570a_100000694244_100000709912 [0,2,0,0,0,0|1,0,0]=3 9545 B12R1.258 C=C(C)c1ccnc(c1)C(=O)N 271570a_100000694244_100000229564 [0,2,0,0,0,0|2,0,0]=4 9546 B12R1.258 C=C(C)c1ccnc(c1)C(C)C 271570a_100000694244_100010237922 [0,2,0,0,0,0|2,0,0]=4 9547 B12R1.258 C=C(C)c1ccnc(c1)C(C)O 271570a_100000694244_100000144657 [0,2,0,0,0,0|2,0,0]=4 9548 B12R1.258 C=C(C)c1ccnc(c1)C(F)F 271570a_100000694244_100010136062 [0,2,0,0,0,0|2,0,0]=4 9549 B12R1.258 C=C(C)c1ccnc(c1)N(C)C 271570a_100000694244_100012361627 [0,2,0,0,0,0|2,0,0]=4 9550 B12R1.258 C=C(C)c1cncc(c1)C(=C)C 271570a_100000694244_200009889500 [0,2,0,0,0,0|2,0,0]=4 9551 B12R1.258 C=C(C)c1cncc(c1)C(=O)C 271570a_100000694244_100011216243 [0,2,0,0,0,0|1,0,0]=3 9552 B12R1.258 C=C(C)c1cncc(c1)C(=O)N 271570a_100000694244_100000162242 [0,2,0,0,0,0|2,0,0]=4 9553 B12R1.258 C=C(C)c1cncc(c1)C(C)C 271570a_100000694244_200010191214 [0,2,0,0,0,0|2,0,0]=4 9554 B12R1.258 C=C(C)c1cncc(c1)C(C)O 271570a_100000694244_100012351597 [0,2,0,0,0,0|2,0,0]=4 9555 B12R1.258 C=C(C)c1cncc(c1)C(F)F 271570a_100000694244_100000694488 [0,2,0,0,0,0|2,0,0]=4 9556 B12R1.258 C=C(C)c1cncc(c1)N(C)C 271570a_100000694244_100012350714 [0,2,0,0,0,0|2,0,0]=4 9557 B12R1.258 C=C(C)c1cncc(c1)[C@@H](C)N 271570a_100000694244_100012350620 [0,2,0,0,0,0|2,0,0]=4 9558 B12R1.258 C=C(C)c1nccc(n1)C(=O)C 271570a_100000694244_100010643186 [0,2,0,0,0,0|2,0,0]=4 9559 B12R1.258 CC(=O)c1cc(ccn1)C(F)F 1458a_100009881524_200000210301 [0,2,0,0,0,0|1,0,0]=3 9560 B12R1.258 CC(=O)c1cccc(c1)C(=O)N 1458a_100000736676_200000210301 [0,2,0,0,0,0|0,0,1]=3 9561 B12R1.258 CC(=O)c1cccc(c1)C(C)C 1458a_100011934808_200000210301 [0,2,0,0,0,0|0,0,0]=2 9562 B12R1.258 CC(=O)c1cccc(c1)C(C)O 1458a_100000090953_200000210301 [0,2,0,0,0,0|0,0,0]=2 9563 B12R1.258 CC(=O)c1cccc(c1)C(F)F 1458a_100000752119_200000210301 [0,2,0,0,0,0|0,0,0]=2 9564 B12R1.258 CC(=O)c1cccc(c1)N(C)C 1458a_100000210872_200000210301 [0,2,0,0,0,0|0,0,0]=2 9565 B12R1.258 CC(=O)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_200000210301 [0,2,0,0,0,0|1,0,0]=3 9566 B12R1.258 CC(=O)c1cccc(n1)N(C)C 27a_100102631434_100000085735 [0,2,0,0,0,0|1,0,0]=3 9567 B12R1.258 CC(=O)c1ccnc(n1)N(C)C 27a_100102631434_100010643186 [0,2,0,0,0,0|2,0,0]=4 9568 B12R1.258 CC(C)c1cccc(c1)C(=O)[13CH3] 1458a_100011934808_200025704644 [0,2,0,0,0,0|0,0,0]=2 9569 B12R1.258 CC(O)c1cccc(c1)C(=O)[13CH3] 1458a_100000090953_200025704644 [0,2,0,0,0,0|0,0,0]=2 9570 B12R1.258 CN(C)c1cccc(c1)C(=O)[13CH3] 1458a_100000210872_200025704644 [0,2,0,0,0,0|0,0,0]=2 9571 B12R1.258 CN(C)c1cccc(c1)C(F)F 2230a_200016126983_200000210301 [0,2,0,0,0,0|2,0,0]=4 9572 B12R1.258 CN(C)c1cccc(c1)C(F)F 269982a_200016126983_200000210301 [0,2,0,0,0,0|2,0,0]=4 9573 B12R1.258 CN(C)c1cccc(c1)C(F)F 34a_200016126983_200000210301 [0,2,0,0,0,0|2,0,0]=4 9574 B12R1.258 CN(C)c1cccc(c1)C(F)F 7a_200016126983_200000210301 [0,2,0,0,0,0|2,0,0]=4 9575 B12R1.258 CN(C)c1cccc(c1)[N+](=O)[O-] 269982a_102515432896_200000210301 [0,2,0,0,0,0|2,0,0]=4 9576 B12R1.258 CN(C)c1cccc(c1)[N+](=O)[O-] 34a_102515432896_200000210301 [0,2,0,0,0,0|2,0,0]=4 9577 B12R1.258 CN(C)c1cccc(n1)C(=O)N 27a_100102631434_100011834053 [0,2,0,0,0,0|2,0,0]=4 9578 B12R1.258 CN(C)c1ccnc(c1)C(=O)N 27a_100102631434_100000229564 [0,2,0,0,0,0|2,0,0]=4 9579 B12R1.258 CN([13CH3])c1cccc(c1)C(F)F 2230a_200016126983_200025704644 [0,2,0,0,0,0|2,0,0]=4 9580 B12R1.258 CN([13CH3])c1cccc(c1)C(F)F 269982a_200016126983_200025704644 [0,2,0,0,0,0|2,0,0]=4 9581 B12R1.258 CN([13CH3])c1cccc(c1)C(F)F 34a_200016126983_200025704644 [0,2,0,0,0,0|2,0,0]=4 9582 B12R1.258 CN([13CH3])c1cccc(c1)C(F)F 7a_200016126983_200025704644 [0,2,0,0,0,0|2,0,0]=4 9583 B12R1.258 CN([13CH3])c1cccc(c1)[N+](=O)[O-] 269982a_102515432896_200025704644 [0,2,0,0,0,0|2,0,0]=4 9584 B12R1.258 CN([13CH3])c1cccc(c1)[N+](=O)[O-] 34a_102515432896_200025704644 [0,2,0,0,0,0|2,0,0]=4 9585 B12R1.258 [13CH3]C(=O)c1cc(ccn1)C(F)F 1458a_100009881524_200025704644 [0,2,0,0,0,0|1,0,0]=3 9586 B12R1.258 [13CH3]C(=O)c1cccc(c1)C(=O)N 1458a_100000736676_200025704644 [0,2,0,0,0,0|0,0,1]=3 9587 B12R1.258 [13CH3]C(=O)c1cccc(c1)C(F)F 1458a_100000752119_200025704644 [0,2,0,0,0,0|0,0,0]=2 9588 B12R1.258 [13CH3]C(=O)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_200025704644 [0,2,0,0,0,0|1,0,0]=3 9589 B12R1.279 C=C(C)c1cc(ccn1)CC#N 271570a_100000694244_100009819943 [0,2,0,0,0,0|2,0,0]=4 9590 B12R1.279 C=C(C)c1cc(ccn1)OCC 271570a_100000694244_100011922638 [0,2,0,0,0,0|2,0,0]=4 9591 B12R1.279 C=C(C)c1cccc(c1)C#CC 271570a_100000694244_200009843338 [0,2,0,0,0,0|1,0,0]=3 9592 B12R1.279 C=C(C)c1cccc(c1)C=CC 271570a_100016259895_100012123953 [0,2,0,0,0,0|1,0,0]=3 9593 B12R1.279 C=C(C)c1cccc(c1)CC#N 271570a_100000694244_100000034040 [0,2,0,0,0,0|1,0,0]=3 9594 B12R1.279 C=C(C)c1cccc(c1)CC=O 271570a_100000694244_200000698211 [0,2,0,0,0,0|1,0,0]=3 9595 B12R1.279 C=C(C)c1cccc(c1)CCC 271570a_100000694244_100000694964 [0,2,0,0,0,0|1,0,0]=3 9596 B12R1.279 C=C(C)c1cccc(c1)CCN 271570a_100000694244_100011207229 [0,2,0,0,0,0|1,0,0]=3 9597 B12R1.279 C=C(C)c1cccc(c1)CCO 271570a_100000694244_100011217444 [0,2,0,0,0,0|1,0,0]=3 9598 B12R1.279 C=C(C)c1cccc(c1)CNC 271570a_100000694244_100000187585 [0,2,0,0,0,0|1,0,0]=3 9599 B12R1.279 C=C(C)c1cccc(c1)CNN 271570a_100000694244_100000686200 [0,2,0,0,0,0|1,0,0]=3 9600 B12R1.279 C=C(C)c1cccc(c1)COC 271570a_100000694244_100011493687 [0,2,0,0,0,0|1,0,0]=3 9601 B12R1.279 C=C(C)c1cccc(c1)N=[N+]=[N-] 271570a_100000694244_100000735707 [0,2,0,0,0,0|2,0,0]=4 9602 B12R1.279 C=C(C)c1cccc(c1)NCC 271570a_100000694244_100000738899 [0,2,0,0,0,0|1,0,0]=3 9603 B12R1.279 C=C(C)c1cccc(c1)OCC 271570a_100000694244_100000170002 [0,2,0,0,0,0|1,0,0]=3 9604 B12R1.279 C=C(C)c1cccc(c1)SCC 271570a_100000694244_100000703699 [0,2,0,0,0,0|1,0,0]=3 9605 B12R1.279 C=C(C)c1cccc(c1)SCC 62a_100000210202_100012123953 [0,2,0,0,0,0|1,0,0]=3 9606 B12R1.279 C=C(C)c1cccc(c1)SCC 62a_100012123953_100000210202 [0,2,0,0,0,0|1,0,0]=3 9607 B12R1.279 C=C(C)c1cccc(c1)SCF 62a_100012123953_100015361967 [0,2,0,0,0,0|1,0,0]=3 9608 B12R1.279 C=C(C)c1cccc(c1)SCF 62a_100015361967_100012123953 [0,2,0,0,0,0|1,0,0]=3 9609 B12R1.279 C=C(C)c1cccc(n1)CC#N 271570a_100000694244_100000727631 [0,2,0,0,0,0|2,0,0]=4 9610 B12R1.279 C=C(C)c1cccc(n1)CCO 271570a_100000694244_100010221043 [0,2,0,0,0,0|2,0,0]=4 9611 B12R1.279 C=C(C)c1cccc(n1)CNC 271570a_100000694244_106354212997 [0,2,0,0,0,0|2,0,0]=4 9612 B12R1.279 C=C(C)c1cccc(n1)NCC 271570a_100000694244_200020678610 [0,2,0,0,0,0|2,0,0]=4 9613 B12R1.279 C=C(C)c1cccc(n1)OCC 271570a_100000694244_100000752924 [0,2,0,0,0,0|2,0,0]=4 9614 B12R1.279 C=C(C)c1ccnc(c1)CC#N 271570a_100000694244_100009875060 [0,2,0,0,0,0|2,0,0]=4 9615 B12R1.279 C=C(C)c1ccnc(c1)CNC 271570a_100000694244_100102954512 [0,2,0,0,0,0|2,0,0]=4 9616 B12R1.279 C=C(C)c1ccnc(c1)OCC 271570a_100000694244_100009995528 [0,2,0,0,0,0|2,0,0]=4 9617 B12R1.279 C=C(C)c1cncc(c1)C=CC 271570a_100016259895_200009889500 [0,2,0,0,0,0|2,0,0]=4 9618 B12R1.279 C=C(C)c1cncc(c1)CC#N 271570a_100000694244_100015508350 [0,2,0,0,0,0|2,0,0]=4 9619 B12R1.279 C=C(C)c1cncc(c1)CNC 271570a_100000694244_103549770560 [0,2,0,0,0,0|2,0,0]=4 9620 B12R1.279 C=C(C)c1cncc(c1)OCC 271570a_100000694244_100012029586 [0,2,0,0,0,0|2,0,0]=4 9621 B12R1.279 C=C(C)c1cncc(c1)SCC 62a_100000210202_200009889500 [0,2,0,0,0,0|2,0,0]=4 9622 B12R1.279 C=C(C)c1cncc(c1)SCC 62a_200009889500_100000210202 [0,2,0,0,0,0|2,0,0]=4 9623 B12R1.279 C=C(C)c1cncc(c1)SCF 62a_100015361967_200009889500 [0,2,0,0,0,0|2,0,0]=4 9624 B12R1.279 C=C(C)c1cncc(c1)SCF 62a_200009889500_100015361967 [0,2,0,0,0,0|2,0,0]=4 9625 B12R1.279 C=C=Cc1cc(ccn1)C(=O)C 271570a_100015277604_100000685609 [0,2,0,0,0,0|1,0,1]=4 9626 B12R1.279 C=C=Cc1cccc(c1)C(=C)C 271570a_100015277604_100012123953 [0,2,0,0,0,0|1,0,1]=4 9627 B12R1.279 C=C=Cc1cccc(c1)C(=O)C 271570a_100015277604_100000210093 [0,2,0,0,0,0|0,0,1]=3 9628 B12R1.279 C=C=Cc1cccc(c1)C(=O)N 271570a_100015277604_100000162208 [0,2,0,0,0,0|1,0,1]=4 9629 B12R1.279 C=C=Cc1cccc(c1)S(=O)C 271570a_100015277604_100009816267 [0,2,0,0,0,0|1,0,1]=4 9630 B12R1.279 C=C=Cc1cccc(n1)C(=O)C 271570a_100015277604_100009816502 [0,2,0,0,0,0|1,0,1]=4 9631 B12R1.279 C=C=Cc1ccnc(c1)C(=O)C 271570a_100015277604_100000709912 [0,2,0,0,0,0|1,0,1]=4 9632 B12R1.279 C=C=Cc1cncc(c1)C(=O)C 271570a_100015277604_100011216243 [0,2,0,0,0,0|1,0,1]=4 9633 B12R1.279 C=CCc1cccc(c1)C(=C)C 271570a_100000694244_100009816576 [0,2,0,0,0,0|1,0,0]=3 9634 B12R1.279 CC(=O)c1cc(ccn1)SCF 62a_100000709912_100015361967 [0,2,0,0,0,0|1,0,0]=3 9635 B12R1.279 CC(=O)c1cc(ccn1)SCF 62a_100015361967_100000709912 [0,2,0,0,0,0|1,0,0]=3 9636 B12R1.279 CC(=O)c1cccc(c1)CC#N 1458a_100000027370_200000210301 [0,2,0,0,0,0|0,0,0]=2 9637 B12R1.279 CC(=O)c1cccc(c1)CCO 1458a_100009869812_200000210301 [0,2,0,0,0,0|0,0,0]=2 9638 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_100000084091_200025704644 [0,2,0,0,0,0|0,0,0]=2 9639 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_200025704644_100000084091 [0,2,0,0,0,0|0,0,0]=2 9640 B12R1.279 CC(=O)c1cccc(c1)OCF 34a_100000211620_100015361967 [0,2,0,0,0,0|0,0,0]=2 9641 B12R1.279 CC(=O)c1cccc(c1)OCF 7a_100000211620_100015361967 [0,2,0,0,0,0|0,0,0]=2 9642 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100000210093_100015361967 [0,2,0,0,0,0|0,0,0]=2 9643 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100015361967_100000210093 [0,2,0,0,0,0|0,0,0]=2 9644 B12R1.279 CC(=O)c1cccc(n1)SCF 62a_100009816502_100015361967 [0,2,0,0,0,0|1,0,0]=3 9645 B12R1.279 CC(=O)c1cccc(n1)SCF 62a_100015361967_100009816502 [0,2,0,0,0,0|1,0,0]=3 9646 B12R1.279 CC(=O)c1ccnc(c1)SCF 62a_100000685609_100015361967 [0,2,0,0,0,0|1,0,0]=3 9647 B12R1.279 CC(=O)c1ccnc(c1)SCF 62a_100015361967_100000685609 [0,2,0,0,0,0|1,0,0]=3 9648 B12R1.279 CC(=O)c1ccnc(n1)SCF 62a_100010643186_100015361967 [0,2,0,0,0,0|2,0,0]=4 9649 B12R1.279 CC(=O)c1ccnc(n1)SCF 62a_100015361967_100010643186 [0,2,0,0,0,0|2,0,0]=4 9650 B12R1.279 CC(=O)c1cncc(c1)SCF 62a_100011216243_100015361967 [0,2,0,0,0,0|1,0,0]=3 9651 B12R1.279 CC(=O)c1cncc(c1)SCF 62a_100015361967_100011216243 [0,2,0,0,0,0|1,0,0]=3 9652 B12R1.279 CC(C)c1cccc(c1)NCF 34a_100000211879_100015361967 [0,2,0,0,0,0|1,0,1]=4 9653 B12R1.279 CC(C)c1cccc(c1)NCF 7a_100000211879_100015361967 [0,2,0,0,0,0|1,0,1]=4 9654 B12R1.279 CC(C)c1cccc(c1)OCF 34a_100000211816_100015361967 [0,2,0,0,0,0|1,0,1]=4 9655 B12R1.279 CC(C)c1cccc(c1)OCF 7a_100000211816_100015361967 [0,2,0,0,0,0|1,0,1]=4 9656 B12R1.279 CC(C)c1cccc(c1)SCF 62a_100011214899_100015361967 [0,2,0,0,0,0|1,0,1]=4 9657 B12R1.279 CC(C)c1cccc(c1)SCF 62a_100015361967_100011214899 [0,2,0,0,0,0|1,0,1]=4 9658 B12R1.279 CC(N)c1cccc(c1)OCF 34a_100000740644_100015361967 [0,2,0,0,0,0|1,0,1]=4 9659 B12R1.279 CC(N)c1cccc(c1)OCF 7a_100000740644_100015361967 [0,2,0,0,0,0|1,0,1]=4 9660 B12R1.279 CC(N)c1cccc(c1)SCF 62a_100015361967_100020642005 [0,2,0,0,0,0|1,0,1]=4 9661 B12R1.279 CC(N)c1cccc(c1)SCF 62a_100020642005_100015361967 [0,2,0,0,0,0|1,0,1]=4 9662 B12R1.279 CC(O)c1cccc(c1)NCF 34a_100011217120_100015361967 [0,2,0,0,0,0|0,0,2]=4 9663 B12R1.279 CC(O)c1cccc(c1)OCF 34a_100000748013_100015361967 [0,2,0,0,0,0|0,0,2]=4 9664 B12R1.279 CC(O)c1cccc(c1)OCF 7a_100000748013_100015361967 [0,2,0,0,0,0|0,0,2]=4 9665 B12R1.279 CC(O)c1cccc(c1)SCF 62a_100000246457_100015361967 [0,2,0,0,0,0|0,0,2]=4 9666 B12R1.279 CC(O)c1cccc(c1)SCF 62a_100015361967_100000246457 [0,2,0,0,0,0|0,0,2]=4 9667 B12R1.279 CC=Cc1cc(ccn1)C(=O)C 271570a_100016259895_100000685609 [0,2,0,0,0,0|1,0,0]=3 9668 B12R1.279 CC=Cc1cc(ccn1)C(=O)N 271570a_100016259895_100000229836 [0,2,0,0,0,0|2,0,0]=4 9669 B12R1.279 CC=Cc1cccc(c1)C(=O)C 271570a_100016259895_100000210093 [0,2,0,0,0,0|0,0,0]=2 9670 B12R1.279 CC=Cc1cccc(c1)C(=O)N 271570a_100016259895_100000162208 [0,2,0,0,0,0|1,0,0]=3 9671 B12R1.279 CC=Cc1cccc(c1)C(C)C 271570a_100016259895_100011214899 [0,2,0,0,0,0|1,0,1]=4 9672 B12R1.279 CC=Cc1cccc(c1)C(C)N 271570a_100016259895_100020642005 [0,2,0,0,0,0|1,0,1]=4 9673 B12R1.279 CC=Cc1cccc(c1)C(C)O 271570a_100016259895_100000246457 [0,2,0,0,0,0|0,0,2]=4 9674 B12R1.279 CC=Cc1cccc(c1)N(C)C 271570a_100016259895_100011215952 [0,2,0,0,0,0|2,0,0]=4 9675 B12R1.279 CC=Cc1cccc(c1)S(=O)C 271570a_100016259895_100009816267 [0,2,0,0,0,0|1,0,0]=3 9676 B12R1.279 CC=Cc1cccc(n1)C(=O)C 271570a_100016259895_100009816502 [0,2,0,0,0,0|1,0,0]=3 9677 B12R1.279 CC=Cc1cccc(n1)C(=O)N 271570a_100016259895_100011834053 [0,2,0,0,0,0|2,0,0]=4 9678 B12R1.279 CC=Cc1ccnc(c1)C(=O)C 271570a_100016259895_100000709912 [0,2,0,0,0,0|1,0,0]=3 9679 B12R1.279 CC=Cc1ccnc(c1)C(=O)N 271570a_100016259895_100000229564 [0,2,0,0,0,0|2,0,0]=4 9680 B12R1.279 CC=Cc1cncc(c1)C(=O)C 271570a_100016259895_100011216243 [0,2,0,0,0,0|1,0,0]=3 9681 B12R1.279 CC=Cc1cncc(c1)C(=O)N 271570a_100016259895_100000162242 [0,2,0,0,0,0|2,0,0]=4 9682 B12R1.279 CC=Cc1nccc(n1)C(=O)C 271570a_100016259895_100010643186 [0,2,0,0,0,0|2,0,0]=4 9683 B12R1.279 CCNc1cccc(c1)C(=O)N 34a_100000217337_100000210202 [0,2,0,0,0,0|1,0,0]=3 9684 B12R1.279 CCNc1cccc(c1)C(C)C 2230a_100000211879_100000210202 [0,2,0,0,0,0|1,0,1]=4 9685 B12R1.279 CCNc1cccc(c1)C(C)C 34a_100000211879_100000210202 [0,2,0,0,0,0|1,0,1]=4 9686 B12R1.279 CCNc1cccc(c1)C(C)C 7a_100000211879_100000210202 [0,2,0,0,0,0|1,0,1]=4 9687 B12R1.279 CCNc1cccc(c1)C(C)O 2230a_100011217120_100000210202 [0,2,0,0,0,0|0,0,2]=4 9688 B12R1.279 CCNc1cccc(c1)C(C)O 34a_100011217120_100000210202 [0,2,0,0,0,0|0,0,2]=4 9689 B12R1.279 CCNc1cccc(c1)N(C)C 34a_100000209982_100000210202 [0,2,0,0,0,0|2,0,0]=4 9690 B12R1.279 CCNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_100000210202 [0,2,0,0,0,0|2,0,0]=4 9691 B12R1.279 CCNc1cccc(n1)C(=O)C 27a_100015525214_100000085735 [0,2,0,0,0,0|1,0,0]=3 9692 B12R1.279 CCNc1cccc(n1)C(=O)N 27a_100015525214_100011834053 [0,2,0,0,0,0|2,0,0]=4 9693 B12R1.279 CCNc1ccnc(c1)C(=O)N 27a_100015525214_100000229564 [0,2,0,0,0,0|2,0,0]=4 9694 B12R1.279 CCNc1nccc(n1)C(=O)C 27a_100015525214_100010643186 [0,2,0,0,0,0|2,0,0]=4 9695 B12R1.279 CCOc1cccc(c1)C(=O)C 1458a_100000216331_200000210301 [0,2,0,0,0,0|0,0,0]=2 9696 B12R1.279 CCOc1cccc(c1)C(=O)C 34a_100000211620_100000210202 [0,2,0,0,0,0|0,0,0]=2 9697 B12R1.279 CCOc1cccc(c1)C(=O)C 7a_100000211620_100000210202 [0,2,0,0,0,0|0,0,0]=2 9698 B12R1.279 CCOc1cccc(c1)C(=O)N 34a_100000162170_100000210202 [0,2,0,0,0,0|1,0,0]=3 9699 B12R1.279 CCOc1cccc(c1)C(=O)N 7a_100000162170_100000210202 [0,2,0,0,0,0|1,0,0]=3 9700 B12R1.279 CCOc1cccc(c1)C(=O)[13CH3] 1458a_100000216331_200025704644 [0,2,0,0,0,0|0,0,0]=2 9701 B12R1.279 CCOc1cccc(c1)C(=S)N 7a_100000738086_100000210202 [0,2,0,0,0,0|1,1,0]=4 9702 B12R1.279 CCOc1cccc(c1)C(C)C 34a_100000211816_100000210202 [0,2,0,0,0,0|1,0,1]=4 9703 B12R1.279 CCOc1cccc(c1)C(C)C 7a_100000211816_100000210202 [0,2,0,0,0,0|1,0,1]=4 9704 B12R1.279 CCOc1cccc(c1)C(C)N 34a_100000740644_100000210202 [0,2,0,0,0,0|1,0,1]=4 9705 B12R1.279 CCOc1cccc(c1)C(C)N 7a_100000740644_100000210202 [0,2,0,0,0,0|1,0,1]=4 9706 B12R1.279 CCOc1cccc(c1)C(C)O 34a_100000748013_100000210202 [0,2,0,0,0,0|0,0,2]=4 9707 B12R1.279 CCOc1cccc(c1)C(C)O 7a_100000748013_100000210202 [0,2,0,0,0,0|0,0,2]=4 9708 B12R1.279 CCOc1cccc(c1)N(C)C 34a_100000738785_100000210202 [0,2,0,0,0,0|2,0,0]=4 9709 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000210202 [0,2,0,0,0,0|2,0,0]=4 9710 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000210202 [0,2,0,0,0,0|2,0,0]=4 9711 B12R1.279 CCOc1cncc(c1)C(=O)N 7a_100000698036_100000210202 [0,2,0,0,0,0|2,0,0]=4 9712 B12R1.279 CCSc1cc(ccn1)C(=O)C 62a_100000210202_100000685609 [0,2,0,0,0,0|1,0,0]=3 9713 B12R1.279 CCSc1cc(ccn1)C(=O)C 62a_100000685609_100000210202 [0,2,0,0,0,0|1,0,0]=3 9714 B12R1.279 CCSc1cc(ccn1)C(=O)N 62a_100000210202_100000229836 [0,2,0,0,0,0|2,0,0]=4 9715 B12R1.279 CCSc1cc(ccn1)C(=O)N 62a_100000229836_100000210202 [0,2,0,0,0,0|2,0,0]=4 9716 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210093_100000210202 [0,2,0,0,0,0|0,0,0]=2 9717 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210202_100000210093 [0,2,0,0,0,0|0,0,0]=2 9718 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000162208_100000210202 [0,2,0,0,0,0|1,0,0]=3 9719 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000210202_100000162208 [0,2,0,0,0,0|1,0,0]=3 9720 B12R1.279 CCSc1cccc(c1)C(C)C 62a_100000210202_100011214899 [0,2,0,0,0,0|1,0,1]=4 9721 B12R1.279 CCSc1cccc(c1)C(C)C 62a_100011214899_100000210202 [0,2,0,0,0,0|1,0,1]=4 9722 B12R1.279 CCSc1cccc(c1)C(C)N 62a_100000210202_100020642005 [0,2,0,0,0,0|1,0,1]=4 9723 B12R1.279 CCSc1cccc(c1)C(C)N 62a_100020642005_100000210202 [0,2,0,0,0,0|1,0,1]=4 9724 B12R1.279 CCSc1cccc(c1)C(C)O 62a_100000210202_100000246457 [0,2,0,0,0,0|0,0,2]=4 9725 B12R1.279 CCSc1cccc(c1)C(C)O 62a_100000246457_100000210202 [0,2,0,0,0,0|0,0,2]=4 9726 B12R1.279 CCSc1cccc(c1)N(C)C 62a_100000210202_100011215952 [0,2,0,0,0,0|2,0,0]=4 9727 B12R1.279 CCSc1cccc(c1)N(C)C 62a_100011215952_100000210202 [0,2,0,0,0,0|2,0,0]=4 9728 B12R1.279 CCSc1cccc(c1)S(=O)C 62a_100000210202_100009816267 [0,2,0,0,0,0|1,0,0]=3 9729 B12R1.279 CCSc1cccc(c1)S(=O)C 62a_100009816267_100000210202 [0,2,0,0,0,0|1,0,0]=3 9730 B12R1.279 CCSc1cccc(n1)C(=O)C 62a_100000210202_100009816502 [0,2,0,0,0,0|1,0,0]=3 9731 B12R1.279 CCSc1cccc(n1)C(=O)C 62a_100009816502_100000210202 [0,2,0,0,0,0|1,0,0]=3 9732 B12R1.279 CCSc1cccc(n1)C(=O)N 62a_100000210202_100011834053 [0,2,0,0,0,0|2,0,0]=4 9733 B12R1.279 CCSc1cccc(n1)C(=O)N 62a_100011834053_100000210202 [0,2,0,0,0,0|2,0,0]=4 9734 B12R1.279 CCSc1ccnc(c1)C(=O)C 62a_100000210202_100000709912 [0,2,0,0,0,0|1,0,0]=3 9735 B12R1.279 CCSc1ccnc(c1)C(=O)C 62a_100000709912_100000210202 [0,2,0,0,0,0|1,0,0]=3 9736 B12R1.279 CCSc1ccnc(c1)C(=O)N 62a_100000210202_100000229564 [0,2,0,0,0,0|2,0,0]=4 9737 B12R1.279 CCSc1ccnc(c1)C(=O)N 62a_100000229564_100000210202 [0,2,0,0,0,0|2,0,0]=4 9738 B12R1.279 CCSc1cncc(c1)C(=O)C 62a_100000210202_100011216243 [0,2,0,0,0,0|1,0,0]=3 9739 B12R1.279 CCSc1cncc(c1)C(=O)C 62a_100011216243_100000210202 [0,2,0,0,0,0|1,0,0]=3 9740 B12R1.279 CCSc1cncc(c1)C(=O)N 62a_100000162242_100000210202 [0,2,0,0,0,0|2,0,0]=4 9741 B12R1.279 CCSc1cncc(c1)C(=O)N 62a_100000210202_100000162242 [0,2,0,0,0,0|2,0,0]=4 9742 B12R1.279 CCSc1nccc(n1)C(=O)C 62a_100000210202_100010643186 [0,2,0,0,0,0|2,0,0]=4 9743 B12R1.279 CCSc1nccc(n1)C(=O)C 62a_100010643186_100000210202 [0,2,0,0,0,0|2,0,0]=4 9744 B12R1.279 CN(C)c1cccc(c1)CO[13CH3] 34a_100000759682_200025704644 [0,2,0,0,0,0|2,0,0]=4 9745 B12R1.279 CN(C)c1cccc(c1)NCF 34a_100000209982_100015361967 [0,2,0,0,0,0|2,0,0]=4 9746 B12R1.279 CN(C)c1cccc(c1)OCF 34a_100000738785_100015361967 [0,2,0,0,0,0|2,0,0]=4 9747 B12R1.279 CN(C)c1cccc(c1)SCF 62a_100011215952_100015361967 [0,2,0,0,0,0|2,0,0]=4 9748 B12R1.279 CN(C)c1cccc(c1)SCF 62a_100015361967_100011215952 [0,2,0,0,0,0|2,0,0]=4 9749 B12R1.279 CNCc1cccc(c1)C(=O)C 2230a_106832991635_100000084091 [0,2,0,0,0,0|0,0,0]=2 9750 B12R1.279 CNCc1cccc(c1)C(=O)C 26a_100102657272_100000211620 [0,2,0,0,0,0|0,0,0]=2 9751 B12R1.279 CNCc1cccc(c1)C(=O)C 34a_100102657272_100000084091 [0,2,0,0,0,0|0,0,0]=2 9752 B12R1.279 CNCc1cccc(c1)C(=O)C 7a_106832991635_100000084091 [0,2,0,0,0,0|0,0,0]=2 9753 B12R1.279 CNCc1cccc(c1)C(=O)N 207a_100102657272_100000059704 [0,2,0,0,0,0|1,0,0]=3 9754 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_100000746036_200000210301 [0,2,0,0,0,0|1,0,0]=3 9755 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_106832991635_100000738444 [0,2,0,0,0,0|1,0,0]=3 9756 B12R1.279 CNCc1cccc(c1)C(=O)N 270004a_106832991635_100000059704 [0,2,0,0,0,0|1,0,0]=3 9757 B12R1.279 CNCc1cccc(c1)C(=O)N 34a_100102657272_100000738444 [0,2,0,0,0,0|1,0,0]=3 9758 B12R1.279 CNCc1cccc(c1)C(=O)N 7a_106832991635_100000738444 [0,2,0,0,0,0|1,0,0]=3 9759 B12R1.279 CNCc1cccc(c1)C(=O)O 269956a_100000752609_200000210301 [0,2,0,0,0,0|1,0,0]=3 9760 B12R1.279 CNCc1cccc(c1)C(=O)[O-] 26a_100102657272_200020627138 [0,2,0,0,0,0|1,0,0]=3 9761 B12R1.279 CNCc1cccc(c1)C(C)C 207a_100102657272_100011935327 [0,2,0,0,0,0|1,0,1]=4 9762 B12R1.279 CNCc1cccc(c1)C(C)C 26a_100102657272_100000211816 [0,2,0,0,0,0|1,0,1]=4 9763 B12R1.279 CNCc1cccc(c1)C(C)C 270004a_106832991635_100011935327 [0,2,0,0,0,0|1,0,1]=4 9764 B12R1.279 CNCc1cccc(c1)C(C)O 26a_100102657272_100000748013 [0,2,0,0,0,0|0,0,2]=4 9765 B12R1.279 CNCc1cccc(c1)N(C)C 207a_100102657272_100011794417 [0,2,0,0,0,0|2,0,0]=4 9766 B12R1.279 CNCc1cccc(c1)N(C)C 270004a_106832991635_100011794417 [0,2,0,0,0,0|2,0,0]=4 9767 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 207a_100102657272_100000185827 [0,2,0,0,0,0|2,0,0]=4 9768 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 2230a_100000755791_200000210301 [0,2,0,0,0,0|2,0,0]=4 9769 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 2230a_106832991635_100000737091 [0,2,0,0,0,0|2,0,0]=4 9770 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 26a_100102657272_100000185994 [0,2,0,0,0,0|2,0,0]=4 9771 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 270004a_106832991635_100000185827 [0,2,0,0,0,0|2,0,0]=4 9772 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 34a_100000755791_200000210301 [0,2,0,0,0,0|2,0,0]=4 9773 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 34a_100102657272_100000737091 [0,2,0,0,0,0|2,0,0]=4 9774 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 7a_106832991635_100000737091 [0,2,0,0,0,0|2,0,0]=4 9775 B12R1.279 CNCc1cncc(c1)C(=O)N 2230a_106832991635_200010162415 [0,2,0,0,0,0|2,0,0]=4 9776 B12R1.279 CNCc1cncc(c1)C(=O)N 34a_100102657272_200010162415 [0,2,0,0,0,0|2,0,0]=4 9777 B12R1.279 CNCc1cncc(c1)C(=O)N 7a_106832991635_200010162415 [0,2,0,0,0,0|2,0,0]=4 9778 B12R1.279 COCc1cccc(c1)C(=O)C 1458a_100000199024_200000210301 [0,2,0,0,0,0|0,0,0]=2 9779 B12R1.279 COCc1cccc(c1)C(=O)C 34a_100138415774_100000084091 [0,2,0,0,0,0|0,0,0]=2 9780 B12R1.279 COCc1cccc(c1)C(=O)N 34a_100138415774_100000738444 [0,2,0,0,0,0|1,0,0]=3 9781 B12R1.279 COCc1cccc(c1)C(=O)[13CH3] 1458a_100000199024_200025704644 [0,2,0,0,0,0|0,0,0]=2 9782 B12R1.279 COCc1cccc(c1)N(C)C 34a_100000759682_200000210301 [0,2,0,0,0,0|2,0,0]=4 9783 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200000210301 [0,2,0,0,0,0|2,0,0]=4 9784 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100138415774_100000737091 [0,2,0,0,0,0|2,0,0]=4 9785 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200000210301 [0,2,0,0,0,0|2,0,0]=4 9786 B12R1.279 COCc1cncc(c1)C(=O)N 34a_100138415774_200010162415 [0,2,0,0,0,0|2,0,0]=4 9787 B12R1.279 CS(=O)c1cccc(c1)SCF 62a_100009816267_100015361967 [0,2,0,0,0,0|1,0,0]=3 9788 B12R1.279 CS(=O)c1cccc(c1)SCF 62a_100015361967_100009816267 [0,2,0,0,0,0|1,0,0]=3 9789 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_100000084091_200000210301 [0,2,0,0,0,0|0,0,0]=2 9790 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_200000210301_100000084091 [0,2,0,0,0,0|0,0,0]=2 9791 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_100000738444_200000210301 [0,2,0,0,0,0|1,0,0]=3 9792 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_200000210301_100000738444 [0,2,0,0,0,0|1,0,0]=3 9793 B12R1.279 CSCc1cccc(c1)[N+](=O)[O-] 62a_100000187168_200000210301 [0,2,0,0,0,0|2,0,0]=4 9794 B12R1.279 CSCc1cccc(c1)[N+](=O)[O-] 62a_200000210301_100000737091 [0,2,0,0,0,0|2,0,0]=4 9795 B12R1.279 CSCc1cncc(c1)C(=O)N 62a_200000210301_200010162415 [0,2,0,0,0,0|2,0,0]=4 9796 B12R1.279 CSCc1cncc(c1)C(=O)N 62a_200010162415_200000210301 [0,2,0,0,0,0|2,0,0]=4 9797 B12R1.279 NC(=O)c1cc(ccn1)SCF 62a_100000229564_100015361967 [0,2,0,0,0,0|2,0,0]=4 9798 B12R1.279 NC(=O)c1cc(ccn1)SCF 62a_100015361967_100000229564 [0,2,0,0,0,0|2,0,0]=4 9799 B12R1.279 NC(=O)c1cccc(c1)NCF 34a_100000217337_100015361967 [0,2,0,0,0,0|1,0,0]=3 9800 B12R1.279 NC(=O)c1cccc(c1)OCF 34a_100000162170_100015361967 [0,2,0,0,0,0|1,0,0]=3 9801 B12R1.279 NC(=O)c1cccc(c1)OCF 7a_100000162170_100015361967 [0,2,0,0,0,0|1,0,0]=3 9802 B12R1.279 NC(=O)c1cccc(c1)SCF 62a_100000162208_100015361967 [0,2,0,0,0,0|1,0,0]=3 9803 B12R1.279 NC(=O)c1cccc(c1)SCF 62a_100015361967_100000162208 [0,2,0,0,0,0|1,0,0]=3 9804 B12R1.279 NC(=O)c1cccc(n1)SCF 62a_100011834053_100015361967 [0,2,0,0,0,0|2,0,0]=4 9805 B12R1.279 NC(=O)c1cccc(n1)SCF 62a_100015361967_100011834053 [0,2,0,0,0,0|2,0,0]=4 9806 B12R1.279 NC(=O)c1ccnc(c1)SCF 62a_100000229836_100015361967 [0,2,0,0,0,0|2,0,0]=4 9807 B12R1.279 NC(=O)c1ccnc(c1)SCF 62a_100015361967_100000229836 [0,2,0,0,0,0|2,0,0]=4 9808 B12R1.279 NC(=O)c1cncc(c1)OCF 7a_100000698036_100015361967 [0,2,0,0,0,0|2,0,0]=4 9809 B12R1.279 NC(=O)c1cncc(c1)SCF 62a_100000162242_100015361967 [0,2,0,0,0,0|2,0,0]=4 9810 B12R1.279 NC(=O)c1cncc(c1)SCF 62a_100015361967_100000162242 [0,2,0,0,0,0|2,0,0]=4 9811 B12R1.279 NC(=S)c1cccc(c1)OCF 7a_100000738086_100015361967 [0,2,0,0,0,0|1,1,0]=4 9812 B12R1.279 O=[N+]([O-])c1cccc(c1)NCF 34a_100000184103_100015361967 [0,2,0,0,0,0|2,0,0]=4 9813 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 34a_100000185994_100015361967 [0,2,0,0,0,0|2,0,0]=4 9814 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 7a_100000185994_100015361967 [0,2,0,0,0,0|2,0,0]=4 9815 B12R1.279 [13CH3]C(=O)c1cccc(c1)CC#N 1458a_100000027370_200025704644 [0,2,0,0,0,0|0,0,0]=2 9816 B12R1.279 [13CH3]C(=O)c1cccc(c1)CCO 1458a_100009869812_200025704644 [0,2,0,0,0,0|0,0,0]=2 9817 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)N 2230a_100000746036_200025704644 [0,2,0,0,0,0|1,0,0]=3 9818 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)O 269956a_100000752609_200025704644 [0,2,0,0,0,0|1,0,0]=3 9819 B12R1.279 [13CH3]NCc1cccc(c1)[N+](=O)[O-] 2230a_100000755791_200025704644 [0,2,0,0,0,0|2,0,0]=4 9820 B12R1.279 [13CH3]NCc1cccc(c1)[N+](=O)[O-] 34a_100000755791_200025704644 [0,2,0,0,0,0|2,0,0]=4 9821 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200025704644 [0,2,0,0,0,0|2,0,0]=4 9822 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200025704644 [0,2,0,0,0,0|2,0,0]=4 9823 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_100000738444_200025704644 [0,2,0,0,0,0|1,0,0]=3 9824 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_200025704644_100000738444 [0,2,0,0,0,0|1,0,0]=3 9825 B12R1.279 [13CH3]SCc1cccc(c1)[N+](=O)[O-] 62a_100000187168_200025704644 [0,2,0,0,0,0|2,0,0]=4 9826 B12R1.279 [13CH3]SCc1cccc(c1)[N+](=O)[O-] 62a_200025704644_100000737091 [0,2,0,0,0,0|2,0,0]=4 9827 B12R1.279 [13CH3]SCc1cncc(c1)C(=O)N 62a_200010162415_200025704644 [0,2,0,0,0,0|2,0,0]=4 9828 B12R1.279 [13CH3]SCc1cncc(c1)C(=O)N 62a_200025704644_200010162415 [0,2,0,0,0,0|2,0,0]=4 9829 B10R1.4 CC=Cc1c[nH]ccc1=O 271570a_100016259895_100009998708 [0,0,1,1,0,0|1,0,1]=4 9830 B10R1.4 CC=Cc1ccc[nH]c1=O 271570a_100016259895_100000050042 [0,0,1,1,0,0|1,0,0]=3 9831 B10R1.4 CC=Cc1cccc[n+]1C 271570a_100016259895_100000212160 [0,0,1,1,0,0|2,0,0]=4 9832 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [0,0,1,1,0,0|1,0,1]=4 9833 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [0,0,1,1,0,0|1,0,0]=3 9834 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [0,0,1,1,0,0|1,0,1]=4 9835 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [0,0,1,1,0,0|1,0,1]=4 9836 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [0,0,1,1,0,0|1,0,1]=4 9837 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [0,0,1,1,0,0|0,0,2]=4 9838 B10R1.4 CC=Cc1cccnc1Br 271570a_100016259895_100010202626 [0,0,1,1,0,0|2,0,0]=4 9839 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [0,0,1,1,0,0|1,0,0]=3 9840 B10R1.4 CC=Cc1cccnc1Cl 271570a_100016259895_100000036424 [0,0,1,1,0,0|2,0,0]=4 9841 B10R1.4 CC=Cc1cccnc1F 271570a_100016259895_100009816115 [0,0,1,1,0,0|2,0,0]=4 9842 B10R1.4 CC=Cc1cccnc1N 271570a_100016259895_100000045569 [0,0,1,1,0,0|2,0,0]=4 9843 B10R1.4 CC=Cc1ccn[nH]c1=O 271570a_100016259895_100000087129 [0,0,1,1,0,0|2,0,0]=4 9844 B10R1.4 CC=Cc1ccncc1C 271570a_100016259895_100015191297 [0,0,1,1,0,0|2,0,0]=4 9845 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [0,0,1,1,0,0|2,0,0]=4 9846 B10R1.4 CC=Cc1cncnc1C 271570a_100016259895_100009819671 [0,0,1,1,0,0|2,0,0]=4 9847 B10R1.4 CC=Cc1ncc[nH]c1=O 271570a_100016259895_100000763361 [0,0,1,1,0,0|2,0,0]=4 9848 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [0,0,1,1,0,0|2,0,0]=4 9849 B10R1.4 CC=Cc1nccnc1C 271570a_100016259895_100011999405 [0,0,1,1,0,0|2,0,0]=4 9850 B10R1.130 C=C=Cc1cc(sc1C)C 271570a_100015277604_100000688054 [0,0,1,1,0,0|0,1,1]=4 9851 B10R1.130 CC=Cc1cc(sc1C)C 271570a_100016259895_100000688054 [0,0,1,1,0,0|0,1,1]=4 9852 B10R1.64 CC(=Cc1ccsc1C)C 271570a_100102525489_100000684487 [0,0,1,1,0,0|0,1,1]=4 9853 B10R1.131 CC=Cc1cc(c(s1)C)C 271570a_100016259895_100009850898 [0,0,1,1,0,0|0,1,1]=4 9854 B10R1.66 CC(=O)C=CC1=CCCC1 1458a_100016262312_200000210301 [0,0,1,1,0,0|0,0,2]=4 9855 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [0,0,1,1,0,0|2,0,0]=4 9856 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,0,1,1,0,0|1,0,0]=3 9857 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [0,0,1,1,0,0|1,0,1]=4 9858 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [0,0,1,1,0,0|1,0,1]=4 9859 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [0,0,1,1,0,0|2,0,0]=4 9860 B10R1.66 CC(=O)C=Cc1nccs1 1458a_100102558208_200000210301 [0,0,1,1,0,0|2,0,0]=4 9861 B10R1.66 [13CH3]C(=O)C=CC1=CCCC1 1458a_100016262312_200025704644 [0,0,1,1,0,0|0,0,2]=4 9862 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [0,0,1,1,0,0|2,0,0]=4 9863 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,0,1,1,0,0|1,0,0]=3 9864 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [0,0,1,1,0,0|1,0,1]=4 9865 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [0,0,1,1,0,0|1,0,1]=4 9866 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [0,0,1,1,0,0|2,0,0]=4 9867 B10R1.66 [13CH3]C(=O)C=Cc1nccs1 1458a_100102558208_200025704644 [0,0,1,1,0,0|2,0,0]=4 9868 B10R1.54 CC(=Cc1cc(cs1)C)C 271570a_100102525489_100009876951 [0,0,1,1,0,0|2,0,0]=4 9869 B10R1.54 CC(=Cc1ccc(s1)C)C 271570a_100102525489_100000761539 [0,0,1,1,0,0|0,1,1]=4 9870 B10R1.54 CC(=Cc1csc(c1)C)C 271570a_100102525489_100000759034 [0,0,1,1,0,0|2,0,0]=4 9871 B10R2.31 Oc1ccc2c(c1)CC2 271570a_203496583355_100009818592 [1,0,0,1,0,0|1,0,1]=4 9872 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|1,0,1]=4 9873 B12R2.202 CC1=Cc2cccc(c2C1)O 271570a_203496583355_100010271545 [0,0,0,1,0,1|2,0,0]=4 9874 B12R2.202 Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010143266 [0,0,0,1,0,1|2,0,0]=4 9875 B12R2.202 Cc1cccc2c1CN(C2)C 2230a_100020635169_200000210301 [0,0,0,1,0,1|2,0,0]=4 9876 B12R2.202 Cc1cccc2c1CN(C2)C 269982a_100020635169_200000210301 [0,0,0,1,0,1|2,0,0]=4 9877 B12R2.202 Cc1cccc2c1CN(C2)C 34a_100020635169_200000210301 [0,0,0,1,0,1|2,0,0]=4 9878 B12R2.202 Cc1cccc2c1CN(C2)[13CH3] 2230a_100020635169_200025704644 [0,0,0,1,0,1|2,0,0]=4 9879 B12R2.202 Cc1cccc2c1CN(C2)[13CH3] 269982a_100020635169_200025704644 [0,0,0,1,0,1|2,0,0]=4 9880 B12R2.202 Cc1cccc2c1CN(C2)[13CH3] 34a_100020635169_200025704644 [0,0,0,1,0,1|2,0,0]=4 9881 B12R2.202 Cc1cccc2c1nc(s2)O 271570a_203496583355_100010008827 [0,0,0,1,0,1|1,0,1]=4 9882 B12R2.202 Cc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012360556 [0,0,0,1,0,1|2,0,0]=4 9883 B12R2.202 Cc1nc2c(cccc2o1)O 271570a_203496583355_100010883239 [0,0,0,1,0,1|2,0,0]=4 9884 B12R2.202 Cc1nc2c(cccc2s1)O 271570a_203496583355_100010236672 [0,0,0,1,0,1|2,0,0]=4 9885 B12R2.202 Cc1nc2cccc(c2o1)O 271570a_203496583355_100010168998 [0,0,0,1,0,1|1,0,1]=4 9886 B12R2.202 Cc1nc2cccc(c2s1)O 271570a_203496583355_100010236699 [0,0,0,1,0,1|1,1,0]=4 9887 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [0,0,0,1,0,1|1,0,0]=3 9888 B12R2.202 O=C1Cc2c(ccnc2N1)O 271570a_203496583355_100000104061 [0,0,0,1,0,1|2,0,0]=4 9889 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [0,0,0,1,0,1|1,0,0]=3 9890 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [0,0,0,1,0,1|2,0,0]=4 9891 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [0,0,0,1,0,1|2,0,0]=4 9892 B12R2.606 Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100011214893 [0,0,0,1,0,1|2,0,0]=4 9893 B12R2.606 Cc1cc2cc(ccc2s1)O 271570a_203496583355_100000695401 [0,0,0,1,0,1|1,1,0]=4 9894 B12R2.606 Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010196937 [0,0,0,1,0,1|2,0,0]=4 9895 B12R2.606 Cc1ccc2nc(sc2c1)O 271570a_203496583355_100010186437 [0,0,0,1,0,1|1,0,1]=4 9896 B12R2.606 Cc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100011264012 [0,0,0,1,0,1|2,0,0]=4 9897 B12R2.606 Cc1nc2cc(ccc2o1)O 271570a_203496583355_100009816932 [0,0,0,1,0,1|1,0,1]=4 9898 B12R2.606 Cc1nc2cc(ccc2s1)O 271570a_203496583355_100009813953 [0,0,0,1,0,1|1,1,0]=4 9899 B12R2.606 Cc1nc2ccc(cc2o1)O 271570a_203496583355_100010171164 [0,0,0,1,0,1|2,0,0]=4 9900 B12R2.606 Cc1nc2ccc(cc2s1)O 271570a_203496583355_100009813144 [0,0,0,1,0,1|2,0,0]=4 9901 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [0,0,0,1,0,1|2,0,0]=4 9902 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [0,0,0,1,0,1|1,0,0]=3 9903 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [0,0,0,1,0,1|1,0,0]=3 9904 B12R2.606 O=C1Cc2ccc(nc2N1)O 271570a_203496583355_100000104062 [0,0,0,1,0,1|2,0,0]=4 9905 B12R2.606 O=C1Cc2cnc(cc2N1)O 271570a_203496583355_100000089690 [0,0,0,1,0,1|2,0,0]=4 9906 B12R2.606 O=C1Cc2ncc(cc2N1)O 271570a_203496583355_100010168558 [0,0,0,1,0,1|2,0,0]=4 9907 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [0,0,0,1,0,1|2,0,0]=4 9908 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [0,0,0,1,0,1|2,0,0]=4 9909 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [0,0,0,1,0,1|2,0,0]=4 9910 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [0,0,0,1,0,1|2,0,0]=4 9911 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [0,0,0,1,0,1|2,0,0]=4 9912 B12R2.1286 Cc1cccc(c1)NC2CC2 34a_100000188690_100000211595 [0,0,0,1,0,1|1,0,1]=4 9913 B12R2.1286 Cc1cccc(c1)OC2CC2 34a_100000210337_100000211595 [0,0,0,1,0,1|1,0,1]=4 9914 B12R2.1286 Cc1cccc(c1)SC2CC2 62a_100011215228_100000211595 [0,0,0,1,0,1|1,0,1]=4 9915 B12R2.291 Cc1cc(ccc1Br)C2CC2 271570a_100011220607_100009813585 [0,1,0,1,0,0|1,0,1]=4 9916 B12R2.291 Cc1cc(ccc1Cl)C2CC2 271570a_100011220607_100000049509 [0,1,0,1,0,0|1,0,1]=4 9917 B12R2.291 Cc1cc(ccc1F)C2CC2 271570a_100011220607_100011218330 [0,1,0,1,0,0|1,0,1]=4 9918 B12R2.291 Cc1cc(ccc1N)C2CC2 271570a_100011220607_100000211769 [0,1,0,1,0,0|1,0,1]=4 9919 B12R2.291 Cc1cc(ccc1O)C2CC2 271570a_100011220607_100000186361 [0,1,0,1,0,0|1,0,1]=4 9920 B12R2.291 Cc1ccc(cc1C)C2CC2 271570a_100011220607_100011215607 [0,1,0,1,0,0|1,0,1]=4 9921 B12R2.1384 C=C(C)c1ccc2c(c1)CC2 271570a_100000694244_100009818592 [0,1,0,1,0,0|1,0,0]=3 9922 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,1,0,1,0,0|0,0,0]=2 9923 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,1,0,1,0,0|0,0,0]=2 9924 B12R2.132 Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009816687 [0,1,0,1,0,0|2,0,0]=4 9925 B12R2.132 Cc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100000123028 [0,1,0,1,0,0|1,0,1]=4 9926 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,1,0,1,0,0|1,0,1]=4 9927 B12R2.132 Cc1csc2c1cc(cc2)O 271570a_203496583355_100009814196 [0,1,0,1,0,0|1,1,0]=4 9928 B12R2.132 Cc1n[nH]c2c1cc(cc2)O 271570a_203496583355_100102524909 [0,1,0,1,0,0|2,0,0]=4 9929 B12R2.132 Cc1noc2c1cc(cc2)O 271570a_203496583355_100010196875 [0,1,0,1,0,0|1,0,1]=4 9930 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|1,0,0]=3 9931 B12R2.132 O=C1CCc2c1cc(cn2)O 271570a_203496583355_100010174022 [0,1,0,1,0,0|2,0,0]=4 9932 B12R2.132 O=C1CCc2c1nc(cc2)O 271570a_203496583355_100000701527 [0,1,0,1,0,0|2,0,0]=4 9933 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,1,0,1,0,0|1,0,0]=3 9934 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [0,1,0,1,0,0|1,0,0]=3 9935 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [0,1,0,1,0,0|1,0,0]=3 9936 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [0,1,0,1,0,0|2,0,0]=4 9937 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [0,1,0,1,0,0|2,0,0]=4 9938 B12R2.196 Cc1c[nH]c2c1cccc2O 271570a_203496583355_100010186758 [0,1,0,1,0,0|2,0,0]=4 9939 B12R2.196 Cc1cccc2c1[nH]nc2O 271570a_203496583355_100010186057 [0,1,0,1,0,0|1,0,1]=4 9940 B12R2.196 Cc1n[nH]c2c1cccc2O 271570a_203496583355_100010255084 [0,1,0,1,0,0|2,0,0]=4 9941 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,1,0,1,0,0|1,0,0]=3 9942 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,1,0,1,0,0|1,0,0]=3 9943 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [0,1,0,1,0,0|1,0,0]=3 9944 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [0,1,0,1,0,0|1,0,0]=3 9945 B12R2.196 O=c1[nH][nH]c2c1cccc2O 271570a_203496583355_100012199144 [0,1,0,1,0,0|2,0,0]=4 9946 B12R2.2294 Cc1cc(cc(c1)C2CC2)C 271570a_100011220607_100011215608 [0,1,0,1,0,0|1,0,1]=4 9947 B12R2.2294 Cc1cc(cc(c1)C2CC2)Cl 271570a_100011220607_100010172791 [0,1,0,1,0,0|1,0,1]=4 9948 B12R2.2294 Cc1cc(cc(c1)C2CC2)F 271570a_100011220607_100011356977 [0,1,0,1,0,0|1,0,1]=4 9949 B12R2.2294 Cc1cc(cc(c1)C2CC2)N 271570a_100011220607_100000695972 [0,1,0,1,0,0|1,0,1]=4 9950 B12R2.2294 Cc1cc(cc(c1)C2CC2)O 271570a_100011220607_100011999630 [0,1,0,1,0,0|1,0,1]=4 9951 B12R2.81 Cc1cccc(c1C)C2CC2 271570a_100011220607_100011214922 [0,1,0,1,0,0|1,0,1]=4 9952 B12R2.81 Cc1cccc(c1Cl)C2CC2 271570a_100011220607_200012352035 [0,1,0,1,0,0|1,0,1]=4 9953 B12R2.81 Cc1cccc(c1F)C2CC2 271570a_100011220607_100000717567 [0,1,0,1,0,0|1,0,1]=4 9954 B12R2.81 Cc1cccc(c1N)C2CC2 271570a_100011220607_100011834072 [0,1,0,1,0,0|1,0,1]=4 9955 B12R2.81 Cc1cccc(c1O)C2CC2 271570a_100011220607_100009817157 [0,1,0,1,0,0|1,0,1]=4 9956 B12R2.1316 Cc1ccc(c(c1)C2CC2)Br 271570a_100011220607_100012353751 [0,1,0,1,0,0|1,0,1]=4 9957 B12R2.1316 Cc1ccc(c(c1)C2CC2)C 271570a_100011220607_100000210833 [0,1,0,1,0,0|1,0,1]=4 9958 B12R2.1316 Cc1ccc(c(c1)C2CC2)Cl 271570a_100011220607_100012356289 [0,1,0,1,0,0|1,0,1]=4 9959 B12R2.1316 Cc1ccc(c(c1)C2CC2)F 271570a_100011220607_100000736223 [0,1,0,1,0,0|1,0,1]=4 9960 B12R2.1316 Cc1ccc(c(c1)C2CC2)N 271570a_100011220607_100000210942 [0,1,0,1,0,0|1,0,1]=4 9961 B12R2.1316 Cc1ccc(c(c1)C2CC2)O 271570a_100011220607_100000765521 [0,1,0,1,0,0|1,0,1]=4 9962 B12R2.43 CCc1cccc(c1)C2CC2 271570a_100011220607_100000684523 [0,1,0,1,0,0|1,0,1]=4 9963 B12R2.43 CNc1cccc(c1)C2CC2 271570a_100011220607_100000219648 [0,1,0,1,0,0|1,0,1]=4 9964 B12R2.43 CNc1cccc(c1)C2CC2 34a_100025755985_200000210301 [0,1,0,1,0,0|1,0,1]=4 9965 B12R2.43 CNc1cccc(c1)C2CC2 7a_100025755985_200000210301 [0,1,0,1,0,0|1,0,1]=4 9966 B12R2.43 COc1cccc(c1)C2CC2 271570a_100011220607_100000170001 [0,1,0,1,0,0|1,0,1]=4 9967 B12R2.43 COc1cccc(c1)C2CC2 34a_100011787725_200000210301 [0,1,0,1,0,0|1,0,1]=4 9968 B12R2.43 COc1cccc(c1)C2CC2 7a_100011787725_200000210301 [0,1,0,1,0,0|1,0,1]=4 9969 B12R2.43 CSc1cccc(c1)C2CC2 271570a_100011220607_100011215954 [0,1,0,1,0,0|1,0,1]=4 9970 B12R2.43 CSc1cccc(c1)C2CC2 62a_200000210301_100009816567 [0,1,0,1,0,0|1,0,1]=4 9971 B12R2.43 FCc1cccc(c1)C2CC2 271570a_100011220607_100010878472 [0,1,0,1,0,0|1,0,1]=4 9972 B12R2.43 NCc1cccc(c1)C2CC2 271570a_100011220607_100000106179 [0,1,0,1,0,0|1,0,1]=4 9973 B12R2.43 OCc1cccc(c1)C2CC2 271570a_100011220607_100000687537 [0,1,0,1,0,0|1,0,1]=4 9974 B12R2.43 [13CH3]Nc1cccc(c1)C2CC2 34a_100025755985_200025704644 [0,1,0,1,0,0|1,0,1]=4 9975 B12R2.43 [13CH3]Nc1cccc(c1)C2CC2 7a_100025755985_200025704644 [0,1,0,1,0,0|1,0,1]=4 9976 B12R2.43 [13CH3]Oc1cccc(c1)C2CC2 34a_100011787725_200025704644 [0,1,0,1,0,0|1,0,1]=4 9977 B12R2.43 [13CH3]Oc1cccc(c1)C2CC2 7a_100011787725_200025704644 [0,1,0,1,0,0|1,0,1]=4 9978 B12R2.43 [13CH3]Sc1cccc(c1)C2CC2 62a_200025704644_100009816567 [0,1,0,1,0,0|1,0,1]=4 9979 B8R0.28 C=C(C)C=NNC(=O)C 4a_100000189765_100000210575 [0,0,1,0,1,0|2,0,0]=4 9980 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [1,0,0,0,1,0|1,0,1]=4 9981 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [1,0,0,0,1,0|1,0,1]=4 9982 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [1,0,0,0,1,0|1,0,1]=4 9983 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [1,0,0,0,1,0|2,0,0]=4 9984 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [1,0,0,0,1,0|2,0,0]=4 9985 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [1,0,0,0,1,0|2,0,0]=4 9986 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [1,0,0,0,1,0|2,0,0]=4 9987 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [1,0,0,0,1,0|2,0,0]=4 9988 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [1,0,0,0,1,0|2,0,0]=4 9989 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [1,0,0,0,1,0|2,0,0]=4 9990 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [1,0,0,0,1,0|2,0,0]=4 9991 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [1,0,0,0,1,0|2,0,0]=4 9992 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [1,0,0,0,1,0|2,0,0]=4 9993 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [1,0,0,0,1,0|2,0,0]=4 9994 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [1,0,0,0,1,0|2,0,0]=4 9995 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [1,0,0,0,1,0|2,0,0]=4 9996 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,0,0,0,1,0|2,0,0]=4 9997 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,0,0,0,1,0|2,0,0]=4 9998 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,0,0,0,1,0|2,0,0]=4 9999 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,0,0,0,1,0|2,0,0]=4 10000 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,0,0,0,1,0|2,0,0]=4 10001 B8R1.11 C=Cc1ccsc1C 271570a_100011290941_100000684487 [1,0,0,0,1,0|1,0,1]=4 10002 B8R1.11 C=Cc1cscc1C 271570a_100011290941_100000759966 [1,0,0,0,1,0|1,0,1]=4 10003 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [1,0,0,0,1,0|1,0,1]=4 10004 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [1,0,0,0,1,0|2,0,0]=4 10005 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [1,0,0,0,1,0|2,0,0]=4 10006 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [1,0,0,0,1,0|2,0,0]=4 10007 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [1,0,0,0,1,0|2,0,0]=4 10008 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [1,0,0,0,1,0|2,0,0]=4 10009 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [1,0,0,0,1,0|2,0,0]=4 10010 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [1,0,0,0,1,0|2,0,0]=4 10011 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [1,0,0,0,1,0|2,0,0]=4 10012 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [1,0,0,0,1,0|2,0,0]=4 10013 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [1,0,0,0,1,0|2,0,0]=4 10014 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [1,0,0,0,1,0|2,0,0]=4 10015 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [1,0,0,0,1,0|2,0,0]=4 10016 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [1,0,0,0,1,0|2,0,0]=4 10017 B8R1.11 O=Cc1cscc1O 271570a_203496583355_100000685484 [1,0,0,0,1,0|2,0,0]=4 10018 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [1,0,0,0,1,0|2,0,0]=4 10019 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [1,0,0,0,1,0|2,0,0]=4 10020 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,0,0,0,1,0|2,0,0]=4 10021 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,0,0,0,1,0|2,0,0]=4 10022 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [1,0,0,0,1,0|2,0,0]=4 10023 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [1,0,0,0,1,0|2,0,0]=4 10024 B10R0.6 C/C=C/C=CC(=O)CC(=O)N 1458a_100000185730_100000187820 [0,0,1,0,0,1|2,0,0]=4 10025 B10R0.6 C/C=C/C=CC(=O)CC(=O)[O-] 1458a_100000185730_100020667443 [0,0,1,0,0,1|2,0,0]=4 10026 B10R0.6 C=C(C)CC(=O)C=C/C=C/C 1458a_100000185730_100000748629 [0,0,1,0,0,1|2,0,0]=4 10027 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,0,0,0,1|1,0,0]=3 10028 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [1,0,0,0,0,1|2,0,0]=4 10029 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [1,0,0,0,0,1|2,0,0]=4 10030 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [1,0,0,0,0,1|2,0,0]=4 10031 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,0,0,0,0,1|1,0,0]=3 10032 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,0,1|0,0,0]=2 10033 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,0,0,0,1|1,0,0]=3 10034 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,0,0,0,1|1,0,0]=3 10035 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,0,1|1,0,0]=3 10036 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,0,1|1,0,0]=3 10037 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [1,0,0,0,0,1|2,0,0]=4 10038 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,0,0,0,0,1|1,0,0]=3 10039 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [1,0,0,0,0,1|2,0,0]=4 10040 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [1,0,0,0,0,1|2,0,0]=4 10041 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [1,0,0,0,0,1|2,0,0]=4 10042 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [1,0,0,0,0,1|2,0,0]=4 10043 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,0,1|0,0,0]=2 10044 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,0,1|0,0,0]=2 10045 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,0,1|0,0,0]=2 10046 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,0,1|0,0,0]=2 10047 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,0,0,0,0,1|1,0,1]=4 10048 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,0,0,0,0,1|1,0,1]=4 10049 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,0,0,0,0,1|1,0,1]=4 10050 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,0,0,0,0,1|1,0,1]=4 10051 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,0,0,0,0,1|1,0,1]=4 10052 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,0,0,0,0,1|2,0,0]=4 10053 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,0,0,0,0,1|2,0,0]=4 10054 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,0,0,0,0,1|2,0,0]=4 10055 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,0,0,0,0,1|2,0,0]=4 10056 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,0,0,0,0,1|2,0,0]=4 10057 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,0,0,0,0,1|2,0,0]=4 10058 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,0,0,0,0,1|2,0,0]=4 10059 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,0,0,0,0,1|1,0,0]=3 10060 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,0,0,0,1|1,0,0]=3 10061 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,0,1|1,0,0]=3 10062 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [1,0,0,0,0,1|2,0,0]=4 10063 B12R1.226 C=C(C)CNc1cccc(c1)Br 34a_100000210019_100000748629 [0,0,0,0,0,2|2,0,0]=4 10064 B12R1.226 C=C(C)CNc1cccc(c1)C 2230a_100000188690_100000748629 [0,0,0,0,0,2|1,0,0]=3 10065 B12R1.226 C=C(C)CNc1cccc(c1)C 34a_100000188690_100000748629 [0,0,0,0,0,2|1,0,0]=3 10066 B12R1.226 C=C(C)CNc1cccc(c1)Cl 34a_100000185859_100000748629 [0,0,0,0,0,2|2,0,0]=4 10067 B12R1.226 C=C(C)CNc1cccc(c1)F 34a_100000210047_100000748629 [0,0,0,0,0,2|2,0,0]=4 10068 B12R1.226 C=C(C)CNc1cccc(c1)I 34a_100000211102_100000748629 [0,0,0,0,0,2|2,0,0]=4 10069 B12R1.226 C=C(C)CNc1cccc(c1)O 34a_100000210217_100000748629 [0,0,0,0,0,2|2,0,0]=4 10070 B12R1.226 C=C(C)CNc1ccnc(c1)C 27a_100000765925_100000758586 [0,0,0,0,0,2|2,0,0]=4 10071 B12R1.226 C=C(C)COc1cccc(c1)Br 34a_100000210342_100000748629 [0,0,0,0,0,2|2,0,0]=4 10072 B12R1.226 C=C(C)COc1cccc(c1)Br 7a_100000210342_100000748629 [0,0,0,0,0,2|2,0,0]=4 10073 B12R1.226 C=C(C)COc1cccc(c1)C 34a_100000210337_100000748629 [0,0,0,0,0,2|1,0,0]=3 10074 B12R1.226 C=C(C)COc1cccc(c1)C 7a_100000210337_100000748629 [0,0,0,0,0,2|1,0,0]=3 10075 B12R1.226 C=C(C)COc1cccc(c1)Cl 34a_100000210295_100000748629 [0,0,0,0,0,2|2,0,0]=4 10076 B12R1.226 C=C(C)COc1cccc(c1)Cl 7a_100000210295_100000748629 [0,0,0,0,0,2|2,0,0]=4 10077 B12R1.226 C=C(C)COc1cccc(c1)F 34a_100000210426_100000748629 [0,0,0,0,0,2|2,0,0]=4 10078 B12R1.226 C=C(C)COc1cccc(c1)F 7a_100000210426_100000748629 [0,0,0,0,0,2|2,0,0]=4 10079 B12R1.226 C=C(C)COc1cccc(c1)I 34a_100000211634_100000748629 [0,0,0,0,0,2|2,0,0]=4 10080 B12R1.226 C=C(C)COc1cccc(c1)I 7a_100000211634_100000748629 [0,0,0,0,0,2|2,0,0]=4 10081 B12R1.226 C=C(C)COc1cccc(c1)N 34a_100000210217_100000748629 [0,0,0,0,0,2|2,0,0]=4 10082 B12R1.226 C=C(C)COc1ccnc(c1)C 34a_100000688365_100000748629 [0,0,0,0,0,2|2,0,0]=4 10083 B12R1.226 C=C(C)COc1cncc(c1)C 34a_100011830280_100000748629 [0,0,0,0,0,2|2,0,0]=4 10084 B12R1.226 C=C(C)COc1cncc(c1)C 7a_100011830280_100000748629 [0,0,0,0,0,2|2,0,0]=4 10085 B12R1.226 C=C(C)CSc1cc(ccn1)C 62a_100000748629_100000750283 [0,0,0,0,0,2|2,0,0]=4 10086 B12R1.226 C=C(C)CSc1cc(ccn1)C 62a_100000750283_100000211660 [0,0,0,0,0,2|2,0,0]=4 10087 B12R1.226 C=C(C)CSc1ccc[n+](c1)C 62a_100000748629_100009996589 [0,0,0,0,0,2|2,0,0]=4 10088 B12R1.226 C=C(C)CSc1ccc[n+](c1)C 62a_100009996589_100000211660 [0,0,0,0,0,2|2,0,0]=4 10089 B12R1.226 C=C(C)CSc1cccc(c1)Br 62a_100000691529_100000211660 [0,0,0,0,0,2|2,0,0]=4 10090 B12R1.226 C=C(C)CSc1cccc(c1)Br 62a_100000748629_100000691529 [0,0,0,0,0,2|2,0,0]=4 10091 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100000748629_100011215228 [0,0,0,0,0,2|1,0,0]=3 10092 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100011215228_100000211660 [0,0,0,0,0,2|1,0,0]=3 10093 B12R1.226 C=C(C)CSc1cccc(c1)Cl 62a_100000699651_100000211660 [0,0,0,0,0,2|2,0,0]=4 10094 B12R1.226 C=C(C)CSc1cccc(c1)Cl 62a_100000748629_100000699651 [0,0,0,0,0,2|2,0,0]=4 10095 B12R1.226 C=C(C)CSc1cccc(c1)F 62a_100000685547_100000211660 [0,0,0,0,0,2|2,0,0]=4 10096 B12R1.226 C=C(C)CSc1cccc(c1)F 62a_100000748629_100000685547 [0,0,0,0,0,2|2,0,0]=4 10097 B12R1.226 C=C(C)CSc1cccc(c1)N 62a_100000210019_100000211660 [0,0,0,0,0,2|2,0,0]=4 10098 B12R1.226 C=C(C)CSc1cccc(c1)N 62a_100000748629_100000210019 [0,0,0,0,0,2|2,0,0]=4 10099 B12R1.226 C=C(C)CSc1cccc(c1)O 62a_100000748629_100000211634 [0,0,0,0,0,2|2,0,0]=4 10100 B12R1.226 C=C(C)CSc1cccc(c1)[S] 62a_100000748629_114929384022 [0,0,0,0,0,2|2,0,0]=4 10101 B12R1.226 C=C(C)CSc1cccc(c1)[S] 62a_114929384022_100000211660 [0,0,0,0,0,2|2,0,0]=4 10102 B12R1.226 C=C(C)CSc1cccc(n1)C 62a_100000742759_100000211660 [0,0,0,0,0,2|2,0,0]=4 10103 B12R1.226 C=C(C)CSc1cccc(n1)C 62a_100000748629_100000742759 [0,0,0,0,0,2|2,0,0]=4 10104 B12R1.226 C=C(C)CSc1ccnc(c1)C 62a_100000748629_100000758586 [0,0,0,0,0,2|2,0,0]=4 10105 B12R1.226 C=C(C)CSc1ccnc(c1)C 62a_100000758586_100000211660 [0,0,0,0,0,2|2,0,0]=4 10106 B12R1.226 C=C(C)CSc1cncc(c1)C 62a_100000748629_100000760492 [0,0,0,0,0,2|2,0,0]=4 10107 B12R1.226 C=C(C)CSc1cncc(c1)C 62a_100000760492_100000211660 [0,0,0,0,0,2|2,0,0]=4 10108 B12R1.226 C=C(F)CNc1cccc(c1)C 2230a_100000188690_100009893438 [0,0,0,0,0,2|1,0,1]=4 10109 B12R1.226 C=C(F)CNc1cccc(c1)C 34a_100000188690_100009893438 [0,0,0,0,0,2|1,0,1]=4 10110 B12R1.226 C=C(F)COc1cccc(c1)C 34a_100000210337_100009893438 [0,0,0,0,0,2|1,0,1]=4 10111 B12R1.226 C=C(F)COc1cccc(c1)C 7a_100000210337_100000042424 [0,0,0,0,0,2|1,0,1]=4 10112 B12R1.226 C=C(F)CSc1cccc(c1)C 62a_100000042424_100011215228 [0,0,0,0,0,2|1,0,1]=4 10113 B12R1.226 C=C(F)CSc1cccc(c1)C 62a_100011215228_100000042424 [0,0,0,0,0,2|1,0,1]=4 10114 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [0,0,0,0,0,2|1,0,0]=3 10115 B12R1.226 CC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200000210301 [0,0,0,0,0,2|1,0,0]=3 10116 B12R1.226 CC(=O)C#Cc1cccc(c1)C 1458a_100011892726_200000210301 [0,0,0,0,0,2|0,0,0]=2 10117 B12R1.226 CC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200000210301 [0,0,0,0,0,2|1,0,0]=3 10118 B12R1.226 CC(=O)C#Cc1cccc(c1)F 1458a_100011892744_200000210301 [0,0,0,0,0,2|1,0,0]=3 10119 B12R1.226 CC(=O)C#Cc1cccc(c1)O 1458a_200009909484_200000210301 [0,0,0,0,0,2|1,0,0]=3 10120 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [0,0,0,0,0,2|1,0,0]=3 10121 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [0,0,0,0,0,2|0,0,0]=2 10122 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [0,0,0,0,0,2|1,0,0]=3 10123 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [0,0,0,0,0,2|1,0,0]=3 10124 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [0,0,0,0,0,2|1,0,0]=3 10125 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,0,0,0,0,2|1,0,0]=3 10126 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,0,0,0,0,2|1,0,0]=3 10127 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,0,0,0,0,2|0,0,0]=2 10128 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,0,0,0,0,2|0,0,0]=2 10129 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,0,0,0,0,2|1,0,0]=3 10130 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,0,0,0,0,2|1,0,0]=3 10131 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,0,0,0,0,2|1,0,0]=3 10132 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,0,0,0,0,2|1,0,0]=3 10133 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,0,0,0,0,2|1,0,0]=3 10134 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,0,0,0,0,2|1,0,0]=3 10135 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,0,0,0,0,2|1,0,0]=3 10136 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,0,0,0,0,2|1,0,0]=3 10137 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,0,0,0,0,2|0,0,0]=2 10138 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,0,0,0,0,2|1,0,0]=3 10139 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,0,0,0,0,2|1,0,0]=3 10140 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,0,0,0,0,2|1,0,0]=3 10141 B12R1.226 CC(=O)CSc1nccc(n1)C 1458a_200000179490_200000210301 [0,0,0,0,0,2|2,0,0]=4 10142 B12R1.226 CC(=O)NCc1cc(ccn1)Br 11a_100009818019_100015343762 [0,0,0,0,0,2|2,0,0]=4 10143 B12R1.226 CC(=O)NCc1cc(ccn1)Br 1626a_100009818019_100015343762 [0,0,0,0,0,2|2,0,0]=4 10144 B12R1.226 CC(=O)NCc1cc(ccn1)Br 240690a_100009818019_100015343762 [0,0,0,0,0,2|2,0,0]=4 10145 B12R1.226 CC(=O)NCc1cc(ccn1)Br 527a_100009818019_100103153847 [0,0,0,0,0,2|2,0,0]=4 10146 B12R1.226 CC(=O)NCc1cc(ccn1)C 11a_100011934573_100015343762 [0,0,0,0,0,2|1,0,0]=3 10147 B12R1.226 CC(=O)NCc1cc(ccn1)C 1626a_100011934573_100015343762 [0,0,0,0,0,2|1,0,0]=3 10148 B12R1.226 CC(=O)NCc1cc(ccn1)C 240690a_100011934573_100015343762 [0,0,0,0,0,2|1,0,0]=3 10149 B12R1.226 CC(=O)NCc1cc(ccn1)C 527a_100011934573_100103153847 [0,0,0,0,0,2|1,0,0]=3 10150 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 11a_100000085674_100015343762 [0,0,0,0,0,2|2,0,0]=4 10151 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 1626a_100000085674_100015343762 [0,0,0,0,0,2|2,0,0]=4 10152 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 240690a_100000085674_100015343762 [0,0,0,0,0,2|2,0,0]=4 10153 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 527a_100000085674_100103153847 [0,0,0,0,0,2|2,0,0]=4 10154 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 11a_100000696482_100015343762 [0,0,0,0,0,2|2,0,0]=4 10155 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 1626a_100000696482_100015343762 [0,0,0,0,0,2|2,0,0]=4 10156 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 240690a_100000696482_100015343762 [0,0,0,0,0,2|2,0,0]=4 10157 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 527a_100000696482_100103153847 [0,0,0,0,0,2|2,0,0]=4 10158 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [0,0,0,0,0,2|1,0,0]=3 10159 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [0,0,0,0,0,2|1,0,0]=3 10160 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [0,0,0,0,0,2|1,0,0]=3 10161 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [0,0,0,0,0,2|1,0,0]=3 10162 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,0,0,0,0,2|0,0,0]=2 10163 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,0,0,0,0,2|0,0,0]=2 10164 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,0,0,0,0,2|0,0,0]=2 10165 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,0,0,0,0,2|0,0,0]=2 10166 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [0,0,0,0,0,2|1,0,0]=3 10167 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [0,0,0,0,0,2|1,0,0]=3 10168 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [0,0,0,0,0,2|1,0,0]=3 10169 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [0,0,0,0,0,2|1,0,0]=3 10170 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [0,0,0,0,0,2|1,0,0]=3 10171 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [0,0,0,0,0,2|1,0,0]=3 10172 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [0,0,0,0,0,2|1,0,0]=3 10173 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [0,0,0,0,0,2|1,0,0]=3 10174 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [0,0,0,0,0,2|1,0,0]=3 10175 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [0,0,0,0,0,2|1,0,0]=3 10176 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [0,0,0,0,0,2|1,0,0]=3 10177 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [0,0,0,0,0,2|1,0,0]=3 10178 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [0,0,0,0,0,2|1,0,0]=3 10179 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [0,0,0,0,0,2|1,0,0]=3 10180 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [0,0,0,0,0,2|1,0,0]=3 10181 B12R1.226 CC(=O)NCc1cccc(n1)Br 11a_100016987751_100015343762 [0,0,0,0,0,2|2,0,0]=4 10182 B12R1.226 CC(=O)NCc1cccc(n1)Br 1626a_100016987751_100015343762 [0,0,0,0,0,2|2,0,0]=4 10183 B12R1.226 CC(=O)NCc1cccc(n1)Br 240690a_100016987751_100015343762 [0,0,0,0,0,2|2,0,0]=4 10184 B12R1.226 CC(=O)NCc1cccc(n1)Br 527a_100016987751_100103153847 [0,0,0,0,0,2|2,0,0]=4 10185 B12R1.226 CC(=O)NCc1cccc(n1)C 11a_100000701342_100015343762 [0,0,0,0,0,2|1,0,0]=3 10186 B12R1.226 CC(=O)NCc1cccc(n1)C 1626a_100000701342_100015343762 [0,0,0,0,0,2|1,0,0]=3 10187 B12R1.226 CC(=O)NCc1cccc(n1)C 240690a_100000701342_100015343762 [0,0,0,0,0,2|1,0,0]=3 10188 B12R1.226 CC(=O)NCc1cccc(n1)C 527a_100000701342_100103153847 [0,0,0,0,0,2|1,0,0]=3 10189 B12R1.226 CC(=O)NCc1cccc(n1)Cl 11a_100016990191_100015343762 [0,0,0,0,0,2|2,0,0]=4 10190 B12R1.226 CC(=O)NCc1cccc(n1)Cl 1626a_100016990191_100015343762 [0,0,0,0,0,2|2,0,0]=4 10191 B12R1.226 CC(=O)NCc1cccc(n1)Cl 240690a_100016990191_100015343762 [0,0,0,0,0,2|2,0,0]=4 10192 B12R1.226 CC(=O)NCc1cccc(n1)Cl 527a_100016990191_100103153847 [0,0,0,0,0,2|2,0,0]=4 10193 B12R1.226 CC(=O)NCc1cccc(n1)F 11a_100015188798_100015343762 [0,0,0,0,0,2|2,0,0]=4 10194 B12R1.226 CC(=O)NCc1cccc(n1)F 1626a_100015188798_100015343762 [0,0,0,0,0,2|2,0,0]=4 10195 B12R1.226 CC(=O)NCc1cccc(n1)F 240690a_100015188798_100015343762 [0,0,0,0,0,2|2,0,0]=4 10196 B12R1.226 CC(=O)NCc1cccc(n1)F 527a_100015188798_100103153847 [0,0,0,0,0,2|2,0,0]=4 10197 B12R1.226 CC(=O)NCc1ccnc(c1)Br 11a_100025757509_100015343762 [0,0,0,0,0,2|2,0,0]=4 10198 B12R1.226 CC(=O)NCc1ccnc(c1)Br 240690a_100025757509_100015343762 [0,0,0,0,0,2|2,0,0]=4 10199 B12R1.226 CC(=O)NCc1ccnc(c1)Br 527a_100025757509_100103153847 [0,0,0,0,0,2|2,0,0]=4 10200 B12R1.226 CC(=O)NCc1ccnc(c1)C 11a_100011934566_100015343762 [0,0,0,0,0,2|1,0,0]=3 10201 B12R1.226 CC(=O)NCc1ccnc(c1)C 1626a_100011934566_100015343762 [0,0,0,0,0,2|1,0,0]=3 10202 B12R1.226 CC(=O)NCc1ccnc(c1)C 240690a_100011934566_100015343762 [0,0,0,0,0,2|1,0,0]=3 10203 B12R1.226 CC(=O)NCc1ccnc(c1)C 527a_100011934566_100103153847 [0,0,0,0,0,2|1,0,0]=3 10204 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 11a_100015205668_100015343762 [0,0,0,0,0,2|2,0,0]=4 10205 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 1626a_100015205668_100015343762 [0,0,0,0,0,2|2,0,0]=4 10206 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 240690a_100015205668_100015343762 [0,0,0,0,0,2|2,0,0]=4 10207 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 527a_100015205668_100103153847 [0,0,0,0,0,2|2,0,0]=4 10208 B12R1.226 CC(=O)NCc1ccnc(c1)F 11a_100015188774_100015343762 [0,0,0,0,0,2|2,0,0]=4 10209 B12R1.226 CC(=O)NCc1ccnc(c1)F 1626a_100015188774_100015343762 [0,0,0,0,0,2|2,0,0]=4 10210 B12R1.226 CC(=O)NCc1ccnc(c1)F 240690a_100015188774_100015343762 [0,0,0,0,0,2|2,0,0]=4 10211 B12R1.226 CC(=O)NCc1ccnc(c1)F 527a_100015188774_100103153847 [0,0,0,0,0,2|2,0,0]=4 10212 B12R1.226 CC(=O)NCc1ccnc(c1)O 11a_100000748557_100015343762 [0,0,0,0,0,2|2,0,0]=4 10213 B12R1.226 CC(=O)NCc1ccnc(c1)O 240690a_100000748557_100015343762 [0,0,0,0,0,2|2,0,0]=4 10214 B12R1.226 CC(=O)NCc1ccnc(c1)O 527a_100000748557_100103153847 [0,0,0,0,0,2|2,0,0]=4 10215 B12R1.226 CC(=O)NCc1cncc(c1)Br 11a_100011249555_100015343762 [0,0,0,0,0,2|2,0,0]=4 10216 B12R1.226 CC(=O)NCc1cncc(c1)Br 240690a_100011249555_100015343762 [0,0,0,0,0,2|2,0,0]=4 10217 B12R1.226 CC(=O)NCc1cncc(c1)Br 527a_100011249555_100103153847 [0,0,0,0,0,2|2,0,0]=4 10218 B12R1.226 CC(=O)NCc1cncc(c1)C 11a_100000692839_100015343762 [0,0,0,0,0,2|1,0,0]=3 10219 B12R1.226 CC(=O)NCc1cncc(c1)C 1626a_100000692839_100015343762 [0,0,0,0,0,2|1,0,0]=3 10220 B12R1.226 CC(=O)NCc1cncc(c1)C 240690a_100000692839_100015343762 [0,0,0,0,0,2|1,0,0]=3 10221 B12R1.226 CC(=O)NCc1cncc(c1)C 527a_100000692839_100103153847 [0,0,0,0,0,2|1,0,0]=3 10222 B12R1.226 CC(=O)NCc1cncc(c1)Cl 11a_200020614424_100015343762 [0,0,0,0,0,2|2,0,0]=4 10223 B12R1.226 CC(=O)NCc1cncc(c1)Cl 1626a_200020614424_100015343762 [0,0,0,0,0,2|2,0,0]=4 10224 B12R1.226 CC(=O)NCc1cncc(c1)Cl 240690a_200020614424_100015343762 [0,0,0,0,0,2|2,0,0]=4 10225 B12R1.226 CC(=O)NCc1cncc(c1)Cl 527a_200020614424_100103153847 [0,0,0,0,0,2|2,0,0]=4 10226 B12R1.226 CC(=O)NCc1cncc(c1)F 11a_100011962886_100015343762 [0,0,0,0,0,2|2,0,0]=4 10227 B12R1.226 CC(=O)NCc1cncc(c1)F 1626a_100011962886_100015343762 [0,0,0,0,0,2|2,0,0]=4 10228 B12R1.226 CC(=O)NCc1cncc(c1)F 240690a_100011962886_100015343762 [0,0,0,0,0,2|2,0,0]=4 10229 B12R1.226 CC(=O)NCc1cncc(c1)F 527a_100011962886_100103153847 [0,0,0,0,0,2|2,0,0]=4 10230 B12R1.226 CC(=O)NCc1nccc(n1)C 11a_100015186494_100015343762 [0,0,0,0,0,2|2,0,0]=4 10231 B12R1.226 CC(=O)NCc1nccc(n1)C 1626a_100015186494_100015343762 [0,0,0,0,0,2|2,0,0]=4 10232 B12R1.226 CC(=O)NCc1nccc(n1)C 240690a_100015186494_100015343762 [0,0,0,0,0,2|2,0,0]=4 10233 B12R1.226 CC(=O)NCc1nccc(n1)C 527a_100015186494_100103153847 [0,0,0,0,0,2|2,0,0]=4 10234 B12R1.226 CC(=O)NNc1cc(ccn1)Br 22a_100000764631_100000070787 [0,0,0,0,0,2|2,0,0]=4 10235 B12R1.226 CC(=O)NNc1cc(ccn1)C 22a_100000746014_100000070787 [0,0,0,0,0,2|1,0,0]=3 10236 B12R1.226 CC(=O)NNc1cc(ccn1)Cl 22a_100102524961_100000070787 [0,0,0,0,0,2|2,0,0]=4 10237 B12R1.226 CC(=O)NNc1cc(ccn1)I 22a_100010221011_100000070787 [0,0,0,0,0,2|2,0,0]=4 10238 B12R1.226 CC(=O)NNc1cc[nH]c(=O)c1 22a_100000120847_100000070787 [0,0,0,0,0,2|2,0,0]=4 10239 B12R1.226 CC(=O)NNc1cccc(c1)Br 22a_100000217339_100000070787 [0,0,0,0,0,2|1,0,0]=3 10240 B12R1.226 CC(=O)NNc1cccc(c1)C 22a_100000681630_100000070787 [0,0,0,0,0,2|0,0,0]=2 10241 B12R1.226 CC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000070787 [0,0,0,0,0,2|1,0,0]=3 10242 B12R1.226 CC(=O)NNc1cccc(c1)F 22a_100000745080_100000070787 [0,0,0,0,0,2|1,0,0]=3 10243 B12R1.226 CC(=O)NNc1cccc(c1)I 22a_100020605690_100000070787 [0,0,0,0,0,2|1,0,0]=3 10244 B12R1.226 CC(=O)NNc1cccc(n1)Br 22a_100009817029_100000070787 [0,0,0,0,0,2|2,0,0]=4 10245 B12R1.226 CC(=O)NNc1cccc(n1)C 22a_100011363444_100000070787 [0,0,0,0,0,2|1,0,0]=3 10246 B12R1.226 CC(=O)NNc1cccc(n1)Cl 22a_100102524919_100000070787 [0,0,0,0,0,2|2,0,0]=4 10247 B12R1.226 CC(=O)NNc1cccc(n1)F 22a_100000075452_100000070787 [0,0,0,0,0,2|2,0,0]=4 10248 B12R1.226 CC(=O)NNc1cccc(n1)O 271570a_203496583355_200000079166 [0,0,0,0,0,2|2,0,0]=4 10249 B12R1.226 CC(=O)NNc1cncc(c1)Br 22a_100000727789_100000070787 [0,0,0,0,0,2|2,0,0]=4 10250 B12R1.226 CC(=O)NNc1cncc(c1)F 22a_200011955905_100000070787 [0,0,0,0,0,2|2,0,0]=4 10251 B12R1.226 CC(=O)NNc1nccc(n1)C 22a_100011780740_100000070787 [0,0,0,0,0,2|2,0,0]=4 10252 B12R1.226 C[n+]1cccc(c1)SCC(=O)N 62a_100000747473_100009996589 [0,0,0,0,0,2|2,0,0]=4 10253 B12R1.226 C[n+]1cccc(c1)SCC(=O)N 62a_100009996589_100000747473 [0,0,0,0,0,2|2,0,0]=4 10254 B12R1.226 C[n+]1cccc(c1)SCC(=O)[O-] 62a_100009996589_100020667443 [0,0,0,0,0,2|2,0,0]=4 10255 B12R1.226 C[n+]1cccc(c1)SCC(=O)[O-] 62a_100020667443_100009996589 [0,0,0,0,0,2|2,0,0]=4 10256 B12R1.226 Cc1cc(ccn1)OCC(=O)N 34a_100000688365_100000187820 [0,0,0,0,0,2|2,0,0]=4 10257 B12R1.226 Cc1cc(ccn1)OCC(=O)[O-] 34a_100000688365_100020667443 [0,0,0,0,0,2|2,0,0]=4 10258 B12R1.226 Cc1cc(ccn1)SCC(=O)N 62a_100000747473_100000758586 [0,0,0,0,0,2|2,0,0]=4 10259 B12R1.226 Cc1cc(ccn1)SCC(=O)N 62a_100000758586_100000747473 [0,0,0,0,0,2|2,0,0]=4 10260 B12R1.226 Cc1cc(ccn1)SCC(=O)[O-] 62a_100000758586_100020667443 [0,0,0,0,0,2|2,0,0]=4 10261 B12R1.226 Cc1cc(ccn1)SCC(=O)[O-] 62a_100020667443_100000758586 [0,0,0,0,0,2|2,0,0]=4 10262 B12R1.226 Cc1cccc(c1)C#CC(=O)[13CH3] 1458a_100011892726_200025704644 [0,0,0,0,0,2|0,0,0]=2 10263 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [0,0,0,0,0,2|0,0,0]=2 10264 B12R1.226 Cc1cccc(c1)C=CC(C)C 271570a_100016257149_100011215228 [0,0,0,0,0,2|1,0,1]=4 10265 B12R1.226 Cc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215228 [0,0,0,0,0,2|0,0,2]=4 10266 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,0,0,0,0,2|0,0,0]=2 10267 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_100102631434_100011713685 [0,0,0,0,0,2|2,0,0]=4 10268 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_114849113767_200000210301 [0,0,0,0,0,2|2,0,0]=4 10269 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_100102631434_100011713685 [0,0,0,0,0,2|2,0,0]=4 10270 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_114849113767_200000210301 [0,0,0,0,0,2|2,0,0]=4 10271 B12R1.226 Cc1cccc(c1)CCN(C)C 34a_114849113767_200000210301 [0,0,0,0,0,2|2,0,0]=4 10272 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 2230a_114849113767_200025704644 [0,0,0,0,0,2|2,0,0]=4 10273 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 269982a_114849113767_200025704644 [0,0,0,0,0,2|2,0,0]=4 10274 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 34a_114849113767_200025704644 [0,0,0,0,0,2|2,0,0]=4 10275 B12R1.226 Cc1cccc(c1)CNC(C)C 207a_100138425928_100000211157 [0,0,0,0,0,2|1,0,1]=4 10276 B12R1.226 Cc1cccc(c1)CNC(C)C 2230a_100000185548_100000210206 [0,0,0,0,0,2|1,0,1]=4 10277 B12R1.226 Cc1cccc(c1)CNC(C)C 2230a_100138425928_100000211840 [0,0,0,0,0,2|1,0,1]=4 10278 B12R1.226 Cc1cccc(c1)CNC(C)C 34a_100000185548_100000210206 [0,0,0,0,0,2|1,0,1]=4 10279 B12R1.226 Cc1cccc(c1)CNC(C)C 34a_100138425928_100000211840 [0,0,0,0,0,2|1,0,1]=4 10280 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100000212225_100000211840 [0,0,0,0,0,2|1,0,1]=4 10281 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100011217746_100000210206 [0,0,0,0,0,2|1,0,1]=4 10282 B12R1.226 Cc1cccc(c1)COC(C)C 7a_100011217746_100000210206 [0,0,0,0,0,2|1,0,1]=4 10283 B12R1.226 Cc1cccc(c1)CSC(C)C 62a_100000210206_100000211840 [0,0,0,0,0,2|1,0,1]=4 10284 B12R1.226 Cc1cccc(c1)CSC(C)C 62a_100000211840_100000210206 [0,0,0,0,0,2|1,0,1]=4 10285 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,0,0,0,0,2|1,0,0]=3 10286 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,0,0,0,0,2|1,0,0]=3 10287 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,0,0,0,0,2|1,0,0]=3 10288 B12R1.226 Cc1cccc(c1)NCC(C)C 2230a_100000188690_100000210760 [0,0,0,0,0,2|1,0,1]=4 10289 B12R1.226 Cc1cccc(c1)NCC(C)C 34a_100000188690_100000210624 [0,0,0,0,0,2|1,0,1]=4 10290 B12R1.226 Cc1cccc(c1)NCC(C)O 2230a_100000188690_100011218427 [0,0,0,0,0,2|0,0,2]=4 10291 B12R1.226 Cc1cccc(c1)NCC(C)O 34a_100000188690_100011218427 [0,0,0,0,0,2|0,0,2]=4 10292 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O 2230a_100000188690_100009817552 [0,0,0,0,0,2|0,0,2]=4 10293 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O 34a_100000188690_100009817552 [0,0,0,0,0,2|0,0,2]=4 10294 B12R1.226 Cc1cccc(c1)NC[N+](=O)[O-] 34a_100000188690_100000761209 [0,0,0,0,0,2|2,0,0]=4 10295 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,0,0,0,0,2|1,0,0]=3 10296 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,0,0,0,0,2|1,0,0]=3 10297 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,0,0,0,0,2|0,0,0]=2 10298 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,0,0,0,0,2|1,0,0]=3 10299 B12R1.226 Cc1cccc(c1)OCC(C)C 34a_100000210337_100000210624 [0,0,0,0,0,2|1,0,1]=4 10300 B12R1.226 Cc1cccc(c1)OCC(C)C 7a_100000210337_100000210760 [0,0,0,0,0,2|1,0,1]=4 10301 B12R1.226 Cc1cccc(c1)OCC(C)O 34a_100000210337_100011218427 [0,0,0,0,0,2|0,0,2]=4 10302 B12R1.226 Cc1cccc(c1)OCC(C)O 7a_100000210337_100011218427 [0,0,0,0,0,2|0,0,2]=4 10303 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 34a_100000210337_100009817552 [0,0,0,0,0,2|0,0,2]=4 10304 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 7a_100000210337_100009817552 [0,0,0,0,0,2|0,0,2]=4 10305 B12R1.226 Cc1cccc(c1)OC[N+](=O)[O-] 34a_100000210337_100000761209 [0,0,0,0,0,2|2,0,0]=4 10306 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,0,0,0,0,2|1,0,0]=3 10307 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,0,0,0,0,2|1,0,0]=3 10308 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,0,0,0,0,2|1,0,0]=3 10309 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,0,0,0,0,2|1,0,0]=3 10310 B12R1.226 Cc1cccc(c1)SCC(C)C 62a_100000210624_100011215228 [0,0,0,0,0,2|1,0,1]=4 10311 B12R1.226 Cc1cccc(c1)SCC(C)C 62a_100011215228_100000210760 [0,0,0,0,0,2|1,0,1]=4 10312 B12R1.226 Cc1cccc(c1)SCC(C)O 62a_100011215228_100011218427 [0,0,0,0,0,2|0,0,2]=4 10313 B12R1.226 Cc1cccc(c1)SCC(C)O 62a_100011218427_100011215228 [0,0,0,0,0,2|0,0,2]=4 10314 B12R1.226 Cc1cccc(c1)SC[C@@H](C)O 62a_100009817552_100011215228 [0,0,0,0,0,2|0,0,2]=4 10315 B12R1.226 Cc1cccc(c1)SC[C@@H](C)O 62a_100011215228_100009817552 [0,0,0,0,0,2|0,0,2]=4 10316 B12R1.226 Cc1cccc(c1)SC[N+](=O)[O-] 62a_100011215228_100000761209 [0,0,0,0,0,2|2,0,0]=4 10317 B12R1.226 Cc1cccc(n1)SCC(=O)N 62a_100000742759_100000747473 [0,0,0,0,0,2|2,0,0]=4 10318 B12R1.226 Cc1cccc(n1)SCC(=O)N 62a_100000747473_100000742759 [0,0,0,0,0,2|2,0,0]=4 10319 B12R1.226 Cc1cccc(n1)SCC(=O)[O-] 62a_100000742759_100020667443 [0,0,0,0,0,2|2,0,0]=4 10320 B12R1.226 Cc1cccc(n1)SCC(=O)[O-] 62a_100020667443_100000742759 [0,0,0,0,0,2|2,0,0]=4 10321 B12R1.226 Cc1ccnc(c1)SCC(=O)N 62a_100000747473_100000750283 [0,0,0,0,0,2|2,0,0]=4 10322 B12R1.226 Cc1ccnc(c1)SCC(=O)N 62a_100000750283_100000747473 [0,0,0,0,0,2|2,0,0]=4 10323 B12R1.226 Cc1ccnc(c1)SCC(=O)[O-] 62a_100000750283_100020667443 [0,0,0,0,0,2|2,0,0]=4 10324 B12R1.226 Cc1ccnc(c1)SCC(=O)[O-] 62a_100020667443_100000750283 [0,0,0,0,0,2|2,0,0]=4 10325 B12R1.226 Cc1ccnc(n1)SCC(=O)[13CH3] 1458a_200000179490_200025704644 [0,0,0,0,0,2|2,0,0]=4 10326 B12R1.226 Cc1cncc(c1)OCC(=O)N 34a_100011830280_100000187820 [0,0,0,0,0,2|2,0,0]=4 10327 B12R1.226 Cc1cncc(c1)OCC(=O)N 7a_100011830280_100000187820 [0,0,0,0,0,2|2,0,0]=4 10328 B12R1.226 Cc1cncc(c1)OCC(=O)[O-] 34a_100011830280_100020667443 [0,0,0,0,0,2|2,0,0]=4 10329 B12R1.226 Cc1cncc(c1)SCC(=O)N 62a_100000747473_100000760492 [0,0,0,0,0,2|2,0,0]=4 10330 B12R1.226 Cc1cncc(c1)SCC(=O)N 62a_100000760492_100000747473 [0,0,0,0,0,2|2,0,0]=4 10331 B12R1.226 Cc1cncc(c1)SCC(=O)[O-] 62a_100000760492_100020667443 [0,0,0,0,0,2|2,0,0]=4 10332 B12R1.226 Cc1cncc(c1)SCC(=O)[O-] 62a_100020667443_100000760492 [0,0,0,0,0,2|2,0,0]=4 10333 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,0,0,0,0,2|2,0,0]=4 10334 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [0,0,0,0,0,2|2,0,0]=4 10335 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [0,0,0,0,0,2|2,0,0]=4 10336 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [0,0,0,0,0,2|2,0,0]=4 10337 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [0,0,0,0,0,2|2,0,0]=4 10338 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [0,0,0,0,0,2|2,0,0]=4 10339 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [0,0,0,0,0,2|2,0,0]=4 10340 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [0,0,0,0,0,2|2,0,0]=4 10341 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,0,0,0,0,2|2,0,0]=4 10342 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,0,0,0,0,2|2,0,0]=4 10343 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [0,0,0,0,0,2|2,0,0]=4 10344 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [0,0,0,0,0,2|2,0,0]=4 10345 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [0,0,0,0,0,2|2,0,0]=4 10346 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [0,0,0,0,0,2|2,0,0]=4 10347 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [0,0,0,0,0,2|2,0,0]=4 10348 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [0,0,0,0,0,2|2,0,0]=4 10349 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [0,0,0,0,0,2|2,0,0]=4 10350 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [0,0,0,0,0,2|2,0,0]=4 10351 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [0,0,0,0,0,2|2,0,0]=4 10352 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [0,0,0,0,0,2|2,0,0]=4 10353 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [0,0,0,0,0,2|2,0,0]=4 10354 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [0,0,0,0,0,2|2,0,0]=4 10355 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [0,0,0,0,0,2|2,0,0]=4 10356 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [0,0,0,0,0,2|2,0,0]=4 10357 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [0,0,0,0,0,2|2,0,0]=4 10358 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [0,0,0,0,0,2|2,0,0]=4 10359 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [0,0,0,0,0,2|2,0,0]=4 10360 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,0,0,0,0,2|2,0,0]=4 10361 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [0,0,0,0,0,2|2,0,0]=4 10362 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [0,0,0,0,0,2|2,0,0]=4 10363 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [0,0,0,0,0,2|2,0,0]=4 10364 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [0,0,0,0,0,2|2,0,0]=4 10365 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [0,0,0,0,0,2|2,0,0]=4 10366 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [0,0,0,0,0,2|2,0,0]=4 10367 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [0,0,0,0,0,2|2,0,0]=4 10368 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,0,0,0,0,2|2,0,0]=4 10369 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,0,0,0,0,2|2,0,0]=4 10370 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,0,0,0,0,2|2,0,0]=4 10371 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,0,0,0,0,2|2,0,0]=4 10372 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [0,0,0,0,0,2|2,0,0]=4 10373 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [0,0,0,0,0,2|2,0,0]=4 10374 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [0,0,0,0,0,2|2,0,0]=4 10375 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [0,0,0,0,0,2|2,0,0]=4 10376 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [0,0,0,0,0,2|2,0,0]=4 10377 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [0,0,0,0,0,2|2,0,0]=4 10378 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [0,0,0,0,0,2|2,0,0]=4 10379 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [0,0,0,0,0,2|2,0,0]=4 10380 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [0,0,0,0,0,2|2,0,0]=4 10381 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200025704644 [0,0,0,0,0,2|1,0,0]=3 10382 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200025704644 [0,0,0,0,0,2|1,0,0]=3 10383 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)F 1458a_100011892744_200025704644 [0,0,0,0,0,2|1,0,0]=3 10384 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)O 1458a_200009909484_200025704644 [0,0,0,0,0,2|1,0,0]=3 10385 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [0,0,0,0,0,2|1,0,0]=3 10386 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [0,0,0,0,0,2|1,0,0]=3 10387 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [0,0,0,0,0,2|1,0,0]=3 10388 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [0,0,0,0,0,2|1,0,0]=3 10389 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,0,0,0,0,2|1,0,0]=3 10390 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,0,0,0,0,2|1,0,0]=3 10391 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,0,0,0,0,2|1,0,0]=3 10392 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,0,0,0,0,2|1,0,0]=3 10393 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,0,0,0,0,2|1,0,0]=3 10394 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,0,0,0,0,2|1,0,0]=3 10395 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,0,0,0,0,2|1,0,0]=3 10396 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,0,0,0,0,2|1,0,0]=3 10397 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,0,0,0,0,2|1,0,0]=3 10398 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [2,0,1,0,0,0|0,0,1]=4 10399 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [2,0,1,0,0,0|0,0,1]=4 10400 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [2,0,1,0,0,0|0,0,0]=3 10401 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [2,0,1,0,0,0|0,0,0]=3 10402 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [3,0,0,0,0,0|0,0,1]=4 10403 B9R0.24 CC=C(C)C=CC(=O)CC 1458a_100000692105_100000210202 [1,1,1,0,0,0|0,0,1]=4 10404 B9R0.24 CC=C(C)C=CC(=O)CF 1458a_100000692105_100015361967 [1,1,1,0,0,0|0,0,1]=4 10405 B9R0.24 CC=C(C)C=CC(=O)NC 1626a_100102657272_100000692105 [1,1,1,0,0,0|0,0,1]=4 10406 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [1,1,1,0,0,0|0,0,1]=4 10407 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [1,1,1,0,0,0|0,0,1]=4 10408 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [2,1,0,0,0,0|0,0,1]=4 10409 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [2,1,0,0,0,0|0,0,1]=4 10410 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [2,1,0,0,0,0|0,0,1]=4 10411 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [2,1,0,0,0,0|0,0,1]=4 10412 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [2,1,0,0,0,0|0,0,1]=4 10413 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,1,0,0,0,0|0,0,1]=4 10414 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,1,0,0,0,0|0,0,1]=4 10415 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [2,1,0,0,0,0|1,0,0]=4 10416 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [2,1,0,0,0,0|1,0,0]=4 10417 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [2,1,0,0,0,0|1,0,0]=4 10418 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [2,1,0,0,0,0|1,0,0]=4 10419 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [2,1,0,0,0,0|1,0,0]=4 10420 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [2,1,0,0,0,0|1,0,0]=4 10421 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [2,1,0,0,0,0|1,0,0]=4 10422 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,1,0,0,0,0|1,0,0]=4 10423 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,1,0,0,0,0|1,0,0]=4 10424 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [2,1,0,0,0,0|1,0,0]=4 10425 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [2,1,0,0,0,0|1,0,0]=4 10426 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [2,1,0,0,0,0|1,0,0]=4 10427 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [2,1,0,0,0,0|1,0,0]=4 10428 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [2,1,0,0,0,0|1,0,0]=4 10429 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [2,1,0,0,0,0|1,0,0]=4 10430 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [2,1,0,0,0,0|1,0,0]=4 10431 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [2,1,0,0,0,0|1,0,0]=4 10432 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [2,1,0,0,0,0|1,0,0]=4 10433 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [2,1,0,0,0,0|1,0,0]=4 10434 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,1,0,0,0,0|1,0,0]=4 10435 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [2,1,0,0,0,0|1,0,0]=4 10436 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [2,1,0,0,0,0|1,0,0]=4 10437 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [2,1,0,0,0,0|1,0,0]=4 10438 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [2,1,0,0,0,0|1,0,0]=4 10439 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [2,1,0,0,0,0|1,0,0]=4 10440 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [2,1,0,0,0,0|1,0,0]=4 10441 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [2,1,0,0,0,0|1,0,0]=4 10442 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [2,1,0,0,0,0|1,0,0]=4 10443 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [2,1,0,0,0,0|1,0,0]=4 10444 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [2,1,0,0,0,0|1,0,0]=4 10445 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,1,0,0,0,0|1,0,0]=4 10446 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,1,0,0,0,0|1,0,0]=4 10447 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [2,1,0,0,0,0|1,0,0]=4 10448 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [2,1,0,0,0,0|1,0,0]=4 10449 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [2,1,0,0,0,0|1,0,0]=4 10450 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [2,1,0,0,0,0|1,0,0]=4 10451 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [2,1,0,0,0,0|1,0,0]=4 10452 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,1,0,0,0,0|0,0,0]=3 10453 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [2,1,0,0,0,0|1,0,0]=4 10454 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [2,1,0,0,0,0|1,0,0]=4 10455 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [2,1,0,0,0,0|1,0,0]=4 10456 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [2,1,0,0,0,0|1,0,0]=4 10457 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [2,1,0,0,0,0|1,0,0]=4 10458 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [2,1,0,0,0,0|1,0,0]=4 10459 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [2,1,0,0,0,0|1,0,0]=4 10460 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [2,1,0,0,0,0|1,0,0]=4 10461 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,1,0,0,0,0|1,0,0]=4 10462 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [2,1,0,0,0,0|1,0,0]=4 10463 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [2,1,0,0,0,0|1,0,0]=4 10464 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [2,1,0,0,0,0|1,0,0]=4 10465 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [2,1,0,0,0,0|1,0,0]=4 10466 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [2,1,0,0,0,0|1,0,0]=4 10467 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [2,1,0,0,0,0|1,0,0]=4 10468 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [2,1,0,0,0,0|1,0,0]=4 10469 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [2,1,0,0,0,0|1,0,0]=4 10470 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [2,1,0,0,0,0|1,0,0]=4 10471 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [2,1,0,0,0,0|1,0,0]=4 10472 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [2,1,0,0,0,0|1,0,0]=4 10473 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [2,1,0,0,0,0|1,0,0]=4 10474 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [2,1,0,0,0,0|1,0,0]=4 10475 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [2,1,0,0,0,0|1,0,0]=4 10476 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [2,1,0,0,0,0|1,0,0]=4 10477 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [2,1,0,0,0,0|1,0,0]=4 10478 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,1,0,0,0,0|1,0,0]=4 10479 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [2,1,0,0,0,0|0,0,1]=4 10480 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,1,0,0,0,0|0,0,0]=3 10481 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [2,1,0,0,0,0|1,0,0]=4 10482 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [2,1,0,0,0,0|1,0,0]=4 10483 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [2,1,0,0,0,0|1,0,0]=4 10484 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,1,0,0,0,0|0,0,1]=4 10485 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,1,0,0,0,0|0,0,1]=4 10486 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,1,0,0,0,0|0,0,1]=4 10487 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,1,0,0,0,0|0,0,1]=4 10488 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,1,0,0,0,0|0,0,1]=4 10489 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,1,0,0,0,0|0,0,1]=4 10490 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,1,0,0,0,0|0,0,1]=4 10491 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,1,0,0,0,0|0,0,1]=4 10492 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,1,0,0,0,0|0,0,1]=4 10493 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,1,0,0,0,0|0,0,1]=4 10494 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,1,0,0,0,0|0,0,1]=4 10495 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,1,0,0,0,0|0,0,1]=4 10496 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,1,0,0,0,0|0,0,1]=4 10497 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,1,0,0,0,0|0,0,1]=4 10498 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,1,0,0,0,0|0,0,1]=4 10499 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,1,0,0,0,0|0,0,1]=4 10500 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,1,0,0,0,0|0,0,1]=4 10501 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [2,1,0,0,0,0|1,0,0]=4 10502 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [2,1,0,0,0,0|1,0,0]=4 10503 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [2,1,0,0,0,0|1,0,0]=4 10504 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [2,1,0,0,0,0|1,0,0]=4 10505 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [2,1,0,0,0,0|1,0,0]=4 10506 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,1,0,0,0,0|0,0,1]=4 10507 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,1,0,0,0,0|0,0,1]=4 10508 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,1,0,0,0,0|0,0,1]=4 10509 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,1,0,0,0,0|0,0,1]=4 10510 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,1,0,0,0,0|0,0,1]=4 10511 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,1,0,0,0,0|0,0,1]=4 10512 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [2,1,0,0,0,0|0,0,1]=4 10513 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [2,1,0,0,0,0|0,0,1]=4 10514 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [2,1,0,0,0,0|0,0,1]=4 10515 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [2,1,0,0,0,0|0,0,1]=4 10516 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [2,1,0,0,0,0|0,0,1]=4 10517 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [2,1,0,0,0,0|0,0,1]=4 10518 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,1,0,0,0,0|0,0,1]=4 10519 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [2,1,0,0,0,0|1,0,0]=4 10520 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [2,1,0,0,0,0|1,0,0]=4 10521 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [2,1,0,0,0,0|1,0,0]=4 10522 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [2,1,0,0,0,0|1,0,0]=4 10523 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [2,1,0,0,0,0|1,0,0]=4 10524 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [2,1,0,0,0,0|1,0,0]=4 10525 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [2,1,0,0,0,0|1,0,0]=4 10526 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [2,1,0,0,0,0|1,0,0]=4 10527 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [2,1,0,0,0,0|1,0,0]=4 10528 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [2,1,0,0,0,0|1,0,0]=4 10529 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [2,1,0,0,0,0|1,0,0]=4 10530 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [2,1,0,0,0,0|1,0,0]=4 10531 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [2,1,0,0,0,0|1,0,0]=4 10532 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [2,1,0,0,0,0|1,0,0]=4 10533 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [2,1,0,0,0,0|1,0,0]=4 10534 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [2,1,0,0,0,0|1,0,0]=4 10535 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [2,1,0,0,0,0|1,0,0]=4 10536 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [2,1,0,0,0,0|1,0,0]=4 10537 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [2,1,0,0,0,0|1,0,0]=4 10538 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [2,1,0,0,0,0|1,0,0]=4 10539 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [2,1,0,0,0,0|1,0,0]=4 10540 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [2,1,0,0,0,0|1,0,0]=4 10541 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [2,1,0,0,0,0|1,0,0]=4 10542 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [2,1,0,0,0,0|1,0,0]=4 10543 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [2,1,0,0,0,0|1,0,0]=4 10544 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [2,1,0,0,0,0|1,0,0]=4 10545 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [2,1,0,0,0,0|1,0,0]=4 10546 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [2,1,0,0,0,0|1,0,0]=4 10547 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [2,1,0,0,0,0|1,0,0]=4 10548 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [2,1,0,0,0,0|1,0,0]=4 10549 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [2,1,0,0,0,0|1,0,0]=4 10550 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [2,1,0,0,0,0|1,0,0]=4 10551 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [2,1,0,0,0,0|1,0,0]=4 10552 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [2,1,0,0,0,0|1,0,0]=4 10553 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [2,1,0,0,0,0|1,0,0]=4 10554 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [2,1,0,0,0,0|1,0,0]=4 10555 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [2,1,0,0,0,0|1,0,0]=4 10556 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [2,1,0,0,0,0|1,0,0]=4 10557 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [2,1,0,0,0,0|0,0,0]=3 10558 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [2,1,0,0,0,0|1,0,0]=4 10559 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [2,1,0,0,0,0|1,0,0]=4 10560 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [2,1,0,0,0,0|1,0,0]=4 10561 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [2,1,0,0,0,0|1,0,0]=4 10562 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [2,1,0,0,0,0|1,0,0]=4 10563 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [2,1,0,0,0,0|1,0,0]=4 10564 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [2,1,0,0,0,0|1,0,0]=4 10565 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [2,1,0,0,0,0|1,0,0]=4 10566 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [2,1,0,0,0,0|1,0,0]=4 10567 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [2,1,0,0,0,0|1,0,0]=4 10568 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [2,1,0,0,0,0|1,0,0]=4 10569 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [2,1,0,0,0,0|1,0,0]=4 10570 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [2,1,0,0,0,0|1,0,0]=4 10571 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [2,1,0,0,0,0|1,0,0]=4 10572 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [2,1,0,0,0,0|1,0,0]=4 10573 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [2,1,0,0,0,0|1,0,0]=4 10574 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [2,1,0,0,0,0|1,0,0]=4 10575 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [2,1,0,0,0,0|1,0,0]=4 10576 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [2,1,0,0,0,0|1,0,0]=4 10577 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [2,1,0,0,0,0|1,0,0]=4 10578 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [2,1,0,0,0,0|1,0,0]=4 10579 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [2,1,0,0,0,0|1,0,0]=4 10580 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [2,1,0,0,0,0|1,0,0]=4 10581 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [2,1,0,0,0,0|1,0,0]=4 10582 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [2,1,0,0,0,0|1,0,0]=4 10583 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [2,1,0,0,0,0|1,0,0]=4 10584 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [2,1,0,0,0,0|1,0,0]=4 10585 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [2,1,0,0,0,0|1,0,0]=4 10586 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [2,1,0,0,0,0|1,0,0]=4 10587 B9R1.3 Cc1cccc(c1C)O 271570a_203496583355_100011214922 [2,1,0,0,0,0|0,0,1]=4 10588 B9R1.3 Cc1cccc(c1Cl)O 271570a_203496583355_200012352035 [2,1,0,0,0,0|0,0,1]=4 10589 B9R1.3 Cc1cccc(c1F)O 271570a_203496583355_100000717567 [2,1,0,0,0,0|0,0,1]=4 10590 B9R1.3 Cc1cccc(c1N)O 271570a_203496583355_100011834072 [2,1,0,0,0,0|0,0,1]=4 10591 B9R1.3 Cc1cccc(c1O)C 271570a_203496583355_100000033847 [2,1,0,0,0,0|0,0,0]=3 10592 B9R1.3 Cc1cccc(c1O)Cl 271570a_203496583355_100000043165 [2,1,0,0,0,0|1,0,0]=4 10593 B9R1.3 Cc1cccc(c1O)F 271570a_203496583355_100012349962 [2,1,0,0,0,0|1,0,0]=4 10594 B9R1.3 Cc1cccc(c1O)N 271570a_203496583355_100000684715 [2,1,0,0,0,0|1,0,0]=4 10595 B9R1.3 Cc1cccc(c1O)O 271570a_203496583355_100000686692 [2,1,0,0,0,0|0,0,1]=4 10596 B9R1.3 Cc1cccc(c1O)O 271570a_203496583355_100009817157 [2,1,0,0,0,0|0,0,1]=4 10597 B9R1.3 Cc1ccnc(c1O)C 271570a_203496583355_100012000501 [2,1,0,0,0,0|1,0,0]=4 10598 B9R1.3 Cc1cncc(c1O)C 271570a_203496583355_100009817138 [2,1,0,0,0,0|1,0,0]=4 10599 B9R1.34 Cc1cc(cc(=O)[nH]1)O 271570a_203496583355_100009861981 [2,1,0,0,0,0|1,0,0]=4 10600 B9R1.34 Cc1cc(cc(c1)Cl)O 271570a_203496583355_100010172791 [2,1,0,0,0,0|0,0,1]=4 10601 B9R1.34 Cc1cc(cc(c1)F)O 271570a_203496583355_100011356977 [2,1,0,0,0,0|0,0,1]=4 10602 B9R1.34 Cc1cc(cc(c1)O)C 271570a_203496583355_100011215608 [2,1,0,0,0,0|0,0,0]=3 10603 B9R1.34 Cc1cc(cc(c1)O)N 271570a_203496583355_100000695972 [2,1,0,0,0,0|0,0,1]=4 10604 B9R1.34 Cc1cc(cc(c1)O)O 271570a_203496583355_100011999630 [2,1,0,0,0,0|0,0,1]=4 10605 B9R1.34 Cc1cc(cc(n1)C)O 271570a_203496583355_100009816552 [2,1,0,0,0,0|1,0,0]=4 10606 B9R1.34 Cc1cc(nc(c1)O)C 271570a_203496583355_100000069240 [2,1,0,0,0,0|1,0,0]=4 10607 B9R1.69 Cc1cc(c(cn1)O)C 271570a_203496583355_100009819613 [2,1,0,0,0,0|1,0,0]=4 10608 B9R1.69 Cc1cc(ccc1Br)O 271570a_203496583355_100009813585 [2,1,0,0,0,0|0,0,1]=4 10609 B9R1.69 Cc1cc(ccc1Cl)O 271570a_203496583355_100000049509 [2,1,0,0,0,0|0,0,1]=4 10610 B9R1.69 Cc1cc(ccc1F)O 271570a_203496583355_100011218330 [2,1,0,0,0,0|0,0,1]=4 10611 B9R1.69 Cc1cc(ccc1N)O 271570a_203496583355_100000211769 [2,1,0,0,0,0|0,0,1]=4 10612 B9R1.69 Cc1cc(ccc1O)Br 271570a_203496583355_100000701812 [2,1,0,0,0,0|1,0,0]=4 10613 B9R1.69 Cc1cc(ccc1O)Cl 271570a_203496583355_100011219607 [2,1,0,0,0,0|1,0,0]=4 10614 B9R1.69 Cc1cc(ccc1O)F 271570a_203496583355_100011205405 [2,1,0,0,0,0|1,0,0]=4 10615 B9R1.69 Cc1cc(ccc1O)N 271570a_203496583355_100000210723 [2,1,0,0,0,0|1,0,0]=4 10616 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [2,1,0,0,0,0|0,0,1]=4 10617 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [2,1,0,0,0,0|0,0,1]=4 10618 B9R1.69 Cc1ccc(c(c1)Br)O 271570a_203496583355_100009813563 [2,1,0,0,0,0|1,0,0]=4 10619 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [2,1,0,0,0,0|0,0,0]=3 10620 B9R1.69 Cc1ccc(c(c1)Cl)O 271570a_203496583355_100011263221 [2,1,0,0,0,0|1,0,0]=4 10621 B9R1.69 Cc1ccc(c(c1)F)O 271570a_203496583355_100011216119 [2,1,0,0,0,0|1,0,0]=4 10622 B9R1.69 Cc1ccc(c(c1)N)O 271570a_203496583355_100011216686 [2,1,0,0,0,0|1,0,0]=4 10623 B9R1.69 Cc1ccc(c(c1)O)Br 271570a_203496583355_100012353751 [2,1,0,0,0,0|0,0,1]=4 10624 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [2,1,0,0,0,0|0,0,1]=4 10625 B9R1.69 Cc1ccc(c(c1)O)Cl 271570a_203496583355_100012356289 [2,1,0,0,0,0|0,0,1]=4 10626 B9R1.69 Cc1ccc(c(c1)O)F 271570a_203496583355_100000736223 [2,1,0,0,0,0|0,0,1]=4 10627 B9R1.69 Cc1ccc(c(c1)O)N 271570a_203496583355_100000210942 [2,1,0,0,0,0|0,0,1]=4 10628 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100000765521 [2,1,0,0,0,0|0,0,1]=4 10629 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100012002257 [2,1,0,0,0,0|0,0,1]=4 10630 B9R1.69 Cc1ccc(c(n1)C)O 271570a_203496583355_100009813853 [2,1,0,0,0,0|1,0,0]=4 10631 B9R1.69 Cc1ccc(cc1C)O 271570a_203496583355_100011215607 [2,1,0,0,0,0|0,0,1]=4 10632 B9R1.69 Cc1cnc(c(c1)C)O 271570a_203496583355_100009864548 [2,1,0,0,0,0|1,0,0]=4 10633 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [1,1,0,0,1,0|1,0,0]=4 10634 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [1,1,0,0,1,0|1,0,0]=4 10635 B9R1.7 CC=Cc1csc(c1)C 271570a_100016259895_100000759034 [1,1,0,0,1,0|1,0,0]=4 10636 B9R1.21 CSc1c[nH]c(c1)C=O 62a_100000720742_200000210301 [1,1,0,0,1,0|1,0,0]=4 10637 B9R1.21 CSc1c[nH]c(c1)C=O 62a_200000210301_100000720742 [1,1,0,0,1,0|1,0,0]=4 10638 B9R1.21 CSc1cc(c[nH]1)C=O 62a_100009882863_200000210301 [1,1,0,0,1,0|1,0,0]=4 10639 B9R1.21 CSc1cc(c[nH]1)C=O 62a_200000210301_100009882863 [1,1,0,0,1,0|1,0,0]=4 10640 B9R1.21 CSc1cc(cs1)C=O 62a_100000737087_200000210301 [1,1,0,0,1,0|1,0,0]=4 10641 B9R1.21 CSc1cc(cs1)C=O 62a_200000210301_100000737087 [1,1,0,0,1,0|1,0,0]=4 10642 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [1,1,0,0,1,0|1,0,0]=4 10643 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [1,1,0,0,1,0|1,0,0]=4 10644 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [1,1,0,0,1,0|1,0,0]=4 10645 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [1,1,0,0,1,0|1,0,0]=4 10646 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [1,1,0,0,1,0|1,0,0]=4 10647 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [1,1,0,0,1,0|1,0,0]=4 10648 B9R1.21 CSc1csc(c1)C=O 62a_100000211722_200000210301 [1,1,0,0,1,0|1,0,0]=4 10649 B9R1.21 CSc1csc(c1)C=O 62a_200000210301_100000211722 [1,1,0,0,1,0|1,0,0]=4 10650 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_100000720742_200025704644 [1,1,0,0,1,0|1,0,0]=4 10651 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_200025704644_100000720742 [1,1,0,0,1,0|1,0,0]=4 10652 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_100009882863_200025704644 [1,1,0,0,1,0|1,0,0]=4 10653 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_200025704644_100009882863 [1,1,0,0,1,0|1,0,0]=4 10654 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_100000737087_200025704644 [1,1,0,0,1,0|1,0,0]=4 10655 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_200025704644_100000737087 [1,1,0,0,1,0|1,0,0]=4 10656 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [1,1,0,0,1,0|1,0,0]=4 10657 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [1,1,0,0,1,0|1,0,0]=4 10658 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [1,1,0,0,1,0|1,0,0]=4 10659 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [1,1,0,0,1,0|1,0,0]=4 10660 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [1,1,0,0,1,0|1,0,0]=4 10661 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [1,1,0,0,1,0|1,0,0]=4 10662 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_100000211722_200025704644 [1,1,0,0,1,0|1,0,0]=4 10663 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_200025704644_100000211722 [1,1,0,0,1,0|1,0,0]=4 10664 B9R1.22 Cc1cc(c(s1)C=O)O 271570a_203496583355_100011361552 [1,1,0,0,1,0|1,0,0]=4 10665 B9R1.23 Cc1cc(sc1O)C=O 271570a_203496583355_100000761930 [1,1,0,0,1,0|1,0,0]=4 10666 B9R1.23 Cc1sc(cc1O)C=O 271570a_203496583355_100000708457 [1,1,0,0,1,0|1,0,0]=4 10667 B9R1.14 CSc1ccoc1C=O 62a_100000756499_200000210301 [1,1,0,0,1,0|1,0,0]=4 10668 B9R1.14 CSc1ccoc1C=O 62a_200000210301_100000756499 [1,1,0,0,1,0|1,0,0]=4 10669 B9R1.14 CSc1ccsc1C=O 62a_100000766043_200000210301 [1,1,0,0,1,0|1,0,0]=4 10670 B9R1.14 CSc1ccsc1C=O 62a_200000210301_100000766043 [1,1,0,0,1,0|1,0,0]=4 10671 B9R1.14 CSc1cscc1C=O 62a_100000685484_200000210301 [1,1,0,0,1,0|1,0,0]=4 10672 B9R1.14 CSc1cscc1C=O 62a_200000210301_100000685484 [1,1,0,0,1,0|1,0,0]=4 10673 B9R1.14 CSc1sccc1C=O 62a_100009816921_200000210301 [1,1,0,0,1,0|1,0,0]=4 10674 B9R1.14 CSc1sccc1C=O 62a_200000210301_100009816921 [1,1,0,0,1,0|1,0,0]=4 10675 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_100000756499_200025704644 [1,1,0,0,1,0|1,0,0]=4 10676 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_200025704644_100000756499 [1,1,0,0,1,0|1,0,0]=4 10677 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_100000766043_200025704644 [1,1,0,0,1,0|1,0,0]=4 10678 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_200025704644_100000766043 [1,1,0,0,1,0|1,0,0]=4 10679 B9R1.14 [13CH3]Sc1cscc1C=O 62a_100000685484_200025704644 [1,1,0,0,1,0|1,0,0]=4 10680 B9R1.14 [13CH3]Sc1cscc1C=O 62a_200025704644_100000685484 [1,1,0,0,1,0|1,0,0]=4 10681 B9R1.14 [13CH3]Sc1sccc1C=O 62a_100009816921_200025704644 [1,1,0,0,1,0|1,0,0]=4 10682 B9R1.14 [13CH3]Sc1sccc1C=O 62a_200025704644_100009816921 [1,1,0,0,1,0|1,0,0]=4 10683 B9R1.33 CC=Cc1ccsc1C 271570a_100016259895_100000684487 [1,1,0,0,1,0|1,0,0]=4 10684 B9R1.33 CC=Cc1cscc1C 271570a_100016259895_100000759966 [1,1,0,0,1,0|1,0,0]=4 10685 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [1,1,0,0,1,0|1,0,0]=4 10686 B11R0.139 C/C=C/C=CC(=O)C(C)C(=O)C 1458a_100000185730_100000179758 [0,1,1,0,0,1|1,0,0]=4 10687 B11R0.154 C/C=C/C=CC(=O)CC(=O)CC 1458a_100000185730_100000747405 [0,1,1,0,0,1|1,0,0]=4 10688 B11R0.154 C/C=C/C=CC(=O)CC(=O)NC 1458a_100000185730_100000183359 [0,1,1,0,0,1|1,0,0]=4 10689 B11R0.154 C/C=C/C=CC(=O)CC(=O)OC 1458a_100000185730_100000747449 [0,1,1,0,0,1|1,0,0]=4 10690 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [1,1,0,0,0,1|1,0,0]=4 10691 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [1,1,0,0,0,1|1,0,0]=4 10692 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [1,1,0,0,0,1|1,0,0]=4 10693 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [1,1,0,0,0,1|1,0,0]=4 10694 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [1,1,0,0,0,1|1,0,0]=4 10695 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,1,0,0,0,1|1,0,0]=4 10696 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,1,0,0,0,1|0,0,0]=3 10697 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,1,0,0,0,1|0,0,0]=3 10698 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,1,0,0,0,1|0,0,0]=3 10699 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,1,0,0,0,1|0,0,0]=3 10700 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,1,0,0,0,1|0,0,0]=3 10701 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,1,0,0,0,1|0,0,0]=3 10702 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,1,0,0,0,1|0,0,0]=3 10703 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,1,0,0,0,1|0,0,0]=3 10704 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,1,0,0,0,1|0,0,0]=3 10705 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,1,0,0,0,1|0,0,0]=3 10706 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,1,0,0,0,1|0,0,0]=3 10707 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,1,0,0,0,1|0,0,0]=3 10708 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [1,1,0,0,0,1|1,0,0]=4 10709 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [1,1,0,0,0,1|1,0,0]=4 10710 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [1,1,0,0,0,1|1,0,0]=4 10711 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [1,1,0,0,0,1|1,0,0]=4 10712 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [1,1,0,0,0,1|1,0,0]=4 10713 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [1,1,0,0,0,1|1,0,0]=4 10714 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [1,1,0,0,0,1|1,0,0]=4 10715 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [1,1,0,0,0,1|1,0,0]=4 10716 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [1,1,0,0,0,1|1,0,0]=4 10717 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [1,1,0,0,0,1|1,0,0]=4 10718 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [1,1,0,0,0,1|1,0,0]=4 10719 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [1,1,0,0,0,1|1,0,0]=4 10720 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [1,1,0,0,0,1|1,0,0]=4 10721 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [1,1,0,0,0,1|1,0,0]=4 10722 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [1,1,0,0,0,1|1,0,0]=4 10723 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [1,1,0,0,0,1|0,0,0]=3 10724 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [1,1,0,0,0,1|0,0,0]=3 10725 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [1,1,0,0,0,1|0,0,0]=3 10726 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [1,1,0,0,0,1|0,0,0]=3 10727 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,1,0,0,0,1|0,0,0]=3 10728 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,1,0,0,0,1|0,0,0]=3 10729 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,1,0,0,0,1|0,0,0]=3 10730 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,1,0,0,0,1|0,0,0]=3 10731 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,1,0,0,0,1|0,0,0]=3 10732 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,1,0,0,0,1|0,0,0]=3 10733 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,1,0,0,0,1|0,0,0]=3 10734 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,1,0,0,0,1|0,0,0]=3 10735 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [1,1,0,0,0,1|0,0,0]=3 10736 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [1,1,0,0,0,1|0,0,0]=3 10737 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [1,1,0,0,0,1|0,0,0]=3 10738 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [1,1,0,0,0,1|0,0,0]=3 10739 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [1,1,0,0,0,1|0,0,0]=3 10740 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [1,1,0,0,0,1|0,0,0]=3 10741 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [1,1,0,0,0,1|0,0,0]=3 10742 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [1,1,0,0,0,1|0,0,0]=3 10743 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,1,0,0,0,1|0,0,0]=3 10744 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,1,0,0,0,1|0,0,0]=3 10745 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [1,1,0,0,0,1|1,0,0]=4 10746 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [1,1,0,0,0,1|1,0,0]=4 10747 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,1,0,0,0,1|0,0,0]=3 10748 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,1,0,0,0,1|0,0,0]=3 10749 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,1,0,0,0,1|0,1,0]=4 10750 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,1,0,0,0,1|0,0,0]=3 10751 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [1,1,0,0,0,1|1,0,0]=4 10752 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [1,1,0,0,0,1|1,0,0]=4 10753 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,1,0,0,0,1|1,0,0]=4 10754 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,1,0,0,0,1|1,0,0]=4 10755 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,1,0,0,0,1|0,0,0]=3 10756 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,1,0,0,0,1|0,0,0]=3 10757 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,1,0,0,0,1|0,0,0]=3 10758 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,1,0,0,0,1|0,0,0]=3 10759 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,1,0,0,0,1|0,0,0]=3 10760 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [1,1,0,0,0,1|1,0,0]=4 10761 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [1,1,0,0,0,1|1,0,0]=4 10762 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [1,1,0,0,0,1|1,0,0]=4 10763 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [1,1,0,0,0,1|1,0,0]=4 10764 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [1,1,0,0,0,1|1,0,0]=4 10765 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [1,1,0,0,0,1|0,0,0]=3 10766 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [1,1,0,0,0,1|0,0,0]=3 10767 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [1,1,0,0,0,1|1,0,0]=4 10768 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,1,0,0,0,1|0,0,0]=3 10769 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [1,1,0,0,0,1|1,0,0]=4 10770 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,1,0,0,0,1|0,0,0]=3 10771 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [1,1,0,0,0,1|0,0,0]=3 10772 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [1,1,0,0,0,1|0,0,0]=3 10773 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [1,1,0,0,0,1|0,0,0]=3 10774 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,1,0,0,0,1|0,0,0]=3 10775 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,1,0,0,0,1|0,0,0]=3 10776 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [1,1,0,0,0,1|1,0,0]=4 10777 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,1,0,0,0,1|0,0,0]=3 10778 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,1,0,0,0,1|0,0,0]=3 10779 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,1,0,0,0,1|0,0,0]=3 10780 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [1,1,0,0,0,1|0,0,1]=4 10781 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,1,0,0,0,1|0,0,1]=4 10782 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,1,0,0,0,1|0,0,1]=4 10783 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,1,0,0,0,1|0,0,1]=4 10784 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [1,1,0,0,0,1|1,0,0]=4 10785 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,1,0,0,0,1|0,0,0]=3 10786 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [1,1,0,0,0,1|1,0,0]=4 10787 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [1,1,0,0,0,1|1,0,0]=4 10788 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [1,1,0,0,0,1|1,0,0]=4 10789 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [1,1,0,0,0,1|1,0,0]=4 10790 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [1,1,0,0,0,1|1,0,0]=4 10791 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,1,0,0,0,1|0,0,0]=3 10792 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,1,0,0,0,1|0,0,0]=3 10793 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,1,0,0,0,1|0,0,0]=3 10794 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,1,0,0,0,1|0,0,0]=3 10795 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [1,1,0,0,0,1|1,0,0]=4 10796 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [1,1,0,0,0,1|1,0,0]=4 10797 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [1,1,0,0,0,1|1,0,0]=4 10798 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [1,1,0,0,0,1|1,0,0]=4 10799 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [1,1,0,0,0,1|1,0,0]=4 10800 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [1,1,0,0,0,1|1,0,0]=4 10801 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [1,1,0,0,0,1|1,0,0]=4 10802 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [1,1,0,0,0,1|1,0,0]=4 10803 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [1,1,0,0,0,1|1,0,0]=4 10804 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,1,0,0,0,1|0,0,0]=3 10805 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [1,1,0,0,0,1|1,0,0]=4 10806 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [1,1,0,0,0,1|1,0,0]=4 10807 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [1,1,0,0,0,1|1,0,0]=4 10808 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,1,0,0,0,1|0,0,0]=3 10809 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [1,1,0,0,0,1|1,0,0]=4 10810 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [1,1,0,0,0,1|1,0,0]=4 10811 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [1,1,0,0,0,1|1,0,0]=4 10812 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,1,0,0,0,1|0,0,0]=3 10813 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,1,0,0,0,1|0,0,0]=3 10814 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [1,1,0,0,0,1|1,0,0]=4 10815 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [1,1,0,0,0,1|1,0,0]=4 10816 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [1,1,0,0,0,1|1,0,0]=4 10817 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [1,1,0,0,0,1|1,0,0]=4 10818 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [1,1,0,0,0,1|1,0,0]=4 10819 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [1,1,0,0,0,1|1,0,0]=4 10820 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [1,1,0,0,0,1|0,0,0]=3 10821 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [1,1,0,0,0,1|0,0,0]=3 10822 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,1,0,0,0,1|0,0,0]=3 10823 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,1,0,0,0,1|0,0,0]=3 10824 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [1,1,0,0,0,1|0,0,0]=3 10825 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [1,1,0,0,0,1|0,0,0]=3 10826 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [1,1,0,0,0,1|0,0,0]=3 10827 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [1,1,0,0,0,1|0,0,0]=3 10828 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [1,1,0,0,0,1|0,0,0]=3 10829 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [1,1,0,0,0,1|0,0,0]=3 10830 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,1,0,0,0,1|0,0,0]=3 10831 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,1,0,0,0,1|0,0,0]=3 10832 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [1,1,0,0,0,1|1,0,0]=4 10833 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [1,1,0,0,0,1|1,0,0]=4 10834 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [1,1,0,0,0,1|1,0,0]=4 10835 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [1,1,0,0,0,1|1,0,0]=4 10836 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [1,1,0,0,0,1|1,0,0]=4 10837 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [1,1,0,0,0,1|1,0,0]=4 10838 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [1,1,0,0,0,1|1,0,0]=4 10839 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [1,1,0,0,0,1|1,0,0]=4 10840 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [1,1,0,0,0,1|1,0,0]=4 10841 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [1,1,0,0,0,1|1,0,0]=4 10842 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [1,1,0,0,0,1|1,0,0]=4 10843 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [1,1,0,0,0,1|1,0,0]=4 10844 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [1,1,0,0,0,1|1,0,0]=4 10845 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [1,1,0,0,0,1|1,0,0]=4 10846 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [1,1,0,0,0,1|1,0,0]=4 10847 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [1,1,0,0,0,1|1,0,0]=4 10848 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [1,1,0,0,0,1|1,0,0]=4 10849 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [1,1,0,0,0,1|0,0,0]=3 10850 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [1,1,0,0,0,1|0,0,0]=3 10851 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [1,1,0,0,0,1|0,0,0]=3 10852 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [1,1,0,0,0,1|0,0,0]=3 10853 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [1,1,0,0,0,1|0,0,0]=3 10854 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [1,1,0,0,0,1|0,0,0]=3 10855 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [1,1,0,0,0,1|0,0,0]=3 10856 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [1,1,0,0,0,1|0,0,0]=3 10857 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [1,1,0,0,0,1|0,0,0]=3 10858 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [1,1,0,0,0,1|0,0,0]=3 10859 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [1,1,0,0,0,1|0,0,0]=3 10860 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [1,1,0,0,0,1|0,0,0]=3 10861 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [1,1,0,0,0,1|0,0,0]=3 10862 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [1,1,0,0,0,1|0,0,0]=3 10863 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [1,1,0,0,0,1|0,0,0]=3 10864 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [1,1,0,0,0,1|0,0,0]=3 10865 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [1,1,0,0,0,1|0,0,0]=3 10866 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [1,1,0,0,0,1|0,0,0]=3 10867 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [1,1,0,0,0,1|0,0,0]=3 10868 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [1,1,0,0,0,1|1,0,0]=4 10869 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [1,1,0,0,0,1|0,0,0]=3 10870 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [1,1,0,0,0,1|1,0,0]=4 10871 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,1,0,0,0,1|0,0,0]=3 10872 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [1,1,0,0,0,1|1,0,0]=4 10873 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,1,0,0,0,1|1,0,0]=4 10874 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,1,0,0,0,1|1,0,0]=4 10875 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [1,1,0,0,0,1|0,0,0]=3 10876 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [1,1,0,0,0,1|0,0,0]=3 10877 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [1,1,0,0,0,1|0,0,0]=3 10878 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [1,1,0,0,0,1|0,0,0]=3 10879 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,1,0,0,0,1|0,0,0]=3 10880 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [1,1,0,0,0,1|1,0,0]=4 10881 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [1,1,0,0,0,1|1,0,0]=4 10882 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [1,1,0,0,0,1|1,0,0]=4 10883 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [1,1,0,0,0,1|1,0,0]=4 10884 B11R1.8 C=Cc1cc(cc(c1C)C)N 271570a_100011290941_100010368239 [1,2,0,0,0,0|0,0,1]=4 10885 B11R1.8 C=Cc1cc(cc(c1C)C)O 271570a_100011290941_100010068915 [1,2,0,0,0,0|0,0,1]=4 10886 B11R1.8 C=Cc1cc(cc(c1C)F)C 271570a_100011290941_100015473476 [1,2,0,0,0,0|0,0,1]=4 10887 B11R1.8 C=Cc1cc(cc(c1C)N)C 271570a_100011290941_102495365385 [1,2,0,0,0,0|0,0,1]=4 10888 B11R1.8 C=Cc1cc(cc(c1F)C)C 271570a_100011290941_200010204574 [1,2,0,0,0,0|0,0,1]=4 10889 B11R1.8 C=Cc1cc(cc(c1F)C)F 271570a_100011290941_100010291795 [1,2,0,0,0,0|0,0,1]=4 10890 B11R1.8 C=Cc1cc(cc(c1F)F)C 271570a_100011290941_100010141297 [1,2,0,0,0,0|0,0,1]=4 10891 B11R1.8 C=Cc1cc(cc(c1F)N)C 271570a_100011290941_100010589139 [1,2,0,0,0,0|0,0,1]=4 10892 B11R1.8 C=Cc1cc(cc(c1N)C)Br 271570a_100011290941_200000690823 [1,2,0,0,0,0|0,0,1]=4 10893 B11R1.8 C=Cc1cc(cc(c1N)C)C 271570a_100011290941_100000688863 [1,2,0,0,0,0|0,0,1]=4 10894 B11R1.8 C=Cc1cc(cc(c1N)C)Cl 271570a_100011290941_100012344046 [1,2,0,0,0,0|0,0,1]=4 10895 B11R1.8 C=Cc1cc(cc(c1N)C)F 271570a_100011290941_100011216670 [1,2,0,0,0,0|0,0,1]=4 10896 B11R1.8 C=Cc1cc(cc(c1N)F)C 271570a_100011290941_100012353694 [1,2,0,0,0,0|0,0,1]=4 10897 B11R1.8 C=Cc1cc(cc(c1N)N)C 271570a_100011290941_100012348275 [1,2,0,0,0,0|0,0,1]=4 10898 B11R1.8 C=Cc1cc(cc(c1O)C)C 271570a_100011290941_100011934984 [1,2,0,0,0,0|0,0,1]=4 10899 B11R1.8 C=Cc1cc(cc(c1O)C)Cl 271570a_100011290941_100012343667 [1,2,0,0,0,0|0,0,1]=4 10900 B11R1.8 C=Cc1cc(cc(c1O)C)N 271570a_100011290941_100010064301 [1,2,0,0,0,0|0,0,1]=4 10901 B11R1.8 C=Cc1cc(cc(c1O)F)C 271570a_100011290941_200135191068 [1,2,0,0,0,0|0,0,1]=4 10902 B11R1.8 CCc1cc(cc(c1N)C)O 271570a_203496583355_200000186424 [1,2,0,0,0,0|0,0,1]=4 10903 B11R1.8 CCc1cc(cc(c1O)C)O 271570a_203496583355_100010659108 [1,2,0,0,0,0|0,0,1]=4 10904 B11R1.8 CNc1cc(cc(c1C)Br)C 2230a_102495365385_200000210301 [1,2,0,0,0,0|1,0,0]=4 10905 B11R1.8 CNc1cc(cc(c1C)Br)C 34a_102495365385_200000210301 [1,2,0,0,0,0|1,0,0]=4 10906 B11R1.8 CNc1cc(cc(c1C)Br)C 7a_102495365385_200000210301 [1,2,0,0,0,0|1,0,0]=4 10907 B11R1.8 CNc1cc(cc(c1C)C)C 2230a_100000035412_200000210301 [1,2,0,0,0,0|1,0,0]=4 10908 B11R1.8 CNc1cc(cc(c1C)C)C 34a_100000035412_200000210301 [1,2,0,0,0,0|1,0,0]=4 10909 B11R1.8 CNc1cc(cc(c1C)C)C 7a_100000035412_200000210301 [1,2,0,0,0,0|1,0,0]=4 10910 B11R1.8 CNc1cc(cc(c1F)Br)C 2230a_100010589139_200000210301 [1,2,0,0,0,0|1,0,0]=4 10911 B11R1.8 CNc1cc(cc(c1F)Br)C 34a_100010589139_200000210301 [1,2,0,0,0,0|1,0,0]=4 10912 B11R1.8 CNc1cc(cc(c1F)Br)C 7a_100010589139_200000210301 [1,2,0,0,0,0|1,0,0]=4 10913 B11R1.8 CNc1cc(cc(c1F)C)Br 34a_100010381932_200000210301 [1,2,0,0,0,0|1,0,0]=4 10914 B11R1.8 CNc1cc(cc(c1F)C)Br 7a_100010381932_200000210301 [1,2,0,0,0,0|1,0,0]=4 10915 B11R1.8 CNc1cc(cc(c1I)C)Cl 34a_100000698757_200000210301 [1,2,0,0,0,0|1,0,0]=4 10916 B11R1.8 CNc1cc(cc(c1I)C)Cl 7a_100000698757_200000210301 [1,2,0,0,0,0|1,0,0]=4 10917 B11R1.8 CNc1cc(cc(c1I)F)C 34a_100021129147_200000210301 [1,2,0,0,0,0|1,0,0]=4 10918 B11R1.8 CNc1cc(cc(c1I)F)C 7a_100021129147_200000210301 [1,2,0,0,0,0|1,0,0]=4 10919 B11R1.8 CNc1cc(cc(c1O)C)Br 34a_100011825904_200000210301 [1,2,0,0,0,0|1,0,0]=4 10920 B11R1.8 CNc1cc(cc(c1O)C)Br 7a_100011825904_200000210301 [1,2,0,0,0,0|1,0,0]=4 10921 B11R1.8 CNc1cc(cc(c1O)C)C 34a_100011216242_200000210301 [1,2,0,0,0,0|1,0,0]=4 10922 B11R1.8 CNc1cc(cc(c1O)C)C 7a_100011216242_200000210301 [1,2,0,0,0,0|1,0,0]=4 10923 B11R1.8 CNc1cc(cc(c1O)C)F 34a_100000130126_200000210301 [1,2,0,0,0,0|1,0,0]=4 10924 B11R1.8 CNc1cc(cc(c1O)C)F 7a_100000130126_200000210301 [1,2,0,0,0,0|1,0,0]=4 10925 B11R1.8 COc1cc(cc(c1Br)C)C 34a_100010342985_200000210301 [1,2,0,0,0,0|1,0,0]=4 10926 B11R1.8 COc1cc(cc(c1Br)C)C 7a_100010342985_200000210301 [1,2,0,0,0,0|1,0,0]=4 10927 B11R1.8 COc1cc(cc(c1C)C)C 34a_100000230004_200000210301 [1,2,0,0,0,0|1,0,0]=4 10928 B11R1.8 COc1cc(cc(c1C)C)C 7a_100000230004_200000210301 [1,2,0,0,0,0|1,0,0]=4 10929 B11R1.8 COc1cc(cc(c1Cl)C)C 34a_100000094344_200000210301 [1,2,0,0,0,0|1,0,0]=4 10930 B11R1.8 COc1cc(cc(c1Cl)C)C 7a_100000094344_200000210301 [1,2,0,0,0,0|1,0,0]=4 10931 B11R1.8 COc1cc(cc(c1F)C)O 271570a_203496583355_100010271686 [1,2,0,0,0,0|1,0,0]=4 10932 B11R1.8 COc1cc(cc(c1I)C)Cl 34a_100010254216_200000210301 [1,2,0,0,0,0|1,0,0]=4 10933 B11R1.8 COc1cc(cc(c1I)C)Cl 7a_100010254216_200000210301 [1,2,0,0,0,0|1,0,0]=4 10934 B11R1.8 COc1cc(cc(c1N)C)Br 34a_100010371313_200000210301 [1,2,0,0,0,0|1,0,0]=4 10935 B11R1.8 COc1cc(cc(c1N)C)Br 7a_100010371313_200000210301 [1,2,0,0,0,0|1,0,0]=4 10936 B11R1.8 COc1cc(cc(c1N)C)O 271570a_203496583355_100000741850 [1,2,0,0,0,0|1,0,0]=4 10937 B11R1.8 COc1cc(cc(c1N)Cl)C 34a_100015906060_200000210301 [1,2,0,0,0,0|1,0,0]=4 10938 B11R1.8 COc1cc(cc(c1N)Cl)C 7a_100015906060_200000210301 [1,2,0,0,0,0|1,0,0]=4 10939 B11R1.8 CSc1cc(cc(c1C)C)N 62a_100010368239_200000210301 [1,2,0,0,0,0|1,0,0]=4 10940 B11R1.8 CSc1cc(cc(c1C)C)N 62a_200000210301_100010368239 [1,2,0,0,0,0|1,0,0]=4 10941 B11R1.8 CSc1cc(cc(c1C)C)O 62a_100010068915_200000210301 [1,2,0,0,0,0|1,0,0]=4 10942 B11R1.8 CSc1cc(cc(c1C)C)O 62a_200000210301_100010068915 [1,2,0,0,0,0|1,0,0]=4 10943 B11R1.8 CSc1cc(cc(c1C)F)C 62a_100015473476_200000210301 [1,2,0,0,0,0|1,0,0]=4 10944 B11R1.8 CSc1cc(cc(c1C)F)C 62a_200000210301_100015473476 [1,2,0,0,0,0|1,0,0]=4 10945 B11R1.8 CSc1cc(cc(c1C)N)C 62a_102495365385_200000210301 [1,2,0,0,0,0|1,0,0]=4 10946 B11R1.8 CSc1cc(cc(c1C)N)C 62a_200000210301_102495365385 [1,2,0,0,0,0|1,0,0]=4 10947 B11R1.8 CSc1cc(cc(c1F)C)C 62a_200000210301_200010204574 [1,2,0,0,0,0|1,0,0]=4 10948 B11R1.8 CSc1cc(cc(c1F)C)C 62a_200010204574_200000210301 [1,2,0,0,0,0|1,0,0]=4 10949 B11R1.8 CSc1cc(cc(c1F)C)F 62a_100010291795_200000210301 [1,2,0,0,0,0|1,0,0]=4 10950 B11R1.8 CSc1cc(cc(c1F)C)F 62a_200000210301_100010291795 [1,2,0,0,0,0|1,0,0]=4 10951 B11R1.8 CSc1cc(cc(c1F)F)C 62a_100010141297_200000210301 [1,2,0,0,0,0|1,0,0]=4 10952 B11R1.8 CSc1cc(cc(c1F)F)C 62a_200000210301_100010141297 [1,2,0,0,0,0|1,0,0]=4 10953 B11R1.8 CSc1cc(cc(c1F)N)C 62a_100010589139_200000210301 [1,2,0,0,0,0|1,0,0]=4 10954 B11R1.8 CSc1cc(cc(c1F)N)C 62a_200000210301_100010589139 [1,2,0,0,0,0|1,0,0]=4 10955 B11R1.8 CSc1cc(cc(c1N)C)Br 62a_200000210301_200000690823 [1,2,0,0,0,0|1,0,0]=4 10956 B11R1.8 CSc1cc(cc(c1N)C)Br 62a_200000690823_200000210301 [1,2,0,0,0,0|1,0,0]=4 10957 B11R1.8 CSc1cc(cc(c1N)C)C 62a_100000688863_200000210301 [1,2,0,0,0,0|1,0,0]=4 10958 B11R1.8 CSc1cc(cc(c1N)C)C 62a_200000210301_100000688863 [1,2,0,0,0,0|1,0,0]=4 10959 B11R1.8 CSc1cc(cc(c1N)C)Cl 62a_100012344046_200000210301 [1,2,0,0,0,0|1,0,0]=4 10960 B11R1.8 CSc1cc(cc(c1N)C)Cl 62a_200000210301_100012344046 [1,2,0,0,0,0|1,0,0]=4 10961 B11R1.8 CSc1cc(cc(c1N)C)F 62a_100011216670_200000210301 [1,2,0,0,0,0|1,0,0]=4 10962 B11R1.8 CSc1cc(cc(c1N)C)F 62a_200000210301_100011216670 [1,2,0,0,0,0|1,0,0]=4 10963 B11R1.8 CSc1cc(cc(c1N)F)C 62a_100012353694_200000210301 [1,2,0,0,0,0|1,0,0]=4 10964 B11R1.8 CSc1cc(cc(c1N)F)C 62a_200000210301_100012353694 [1,2,0,0,0,0|1,0,0]=4 10965 B11R1.8 CSc1cc(cc(c1N)N)C 62a_100012348275_200000210301 [1,2,0,0,0,0|1,0,0]=4 10966 B11R1.8 CSc1cc(cc(c1N)N)C 62a_200000210301_100012348275 [1,2,0,0,0,0|1,0,0]=4 10967 B11R1.8 CSc1cc(cc(c1O)C)C 62a_100011934984_200000210301 [1,2,0,0,0,0|1,0,0]=4 10968 B11R1.8 CSc1cc(cc(c1O)C)C 62a_200000210301_100011934984 [1,2,0,0,0,0|1,0,0]=4 10969 B11R1.8 CSc1cc(cc(c1O)C)Cl 62a_100012343667_200000210301 [1,2,0,0,0,0|1,0,0]=4 10970 B11R1.8 CSc1cc(cc(c1O)C)Cl 62a_200000210301_100012343667 [1,2,0,0,0,0|1,0,0]=4 10971 B11R1.8 CSc1cc(cc(c1O)C)N 62a_100010064301_200000210301 [1,2,0,0,0,0|1,0,0]=4 10972 B11R1.8 CSc1cc(cc(c1O)C)N 62a_200000210301_100010064301 [1,2,0,0,0,0|1,0,0]=4 10973 B11R1.8 CSc1cc(cc(c1O)F)C 62a_200000210301_200135191068 [1,2,0,0,0,0|1,0,0]=4 10974 B11R1.8 CSc1cc(cc(c1O)F)C 62a_200135191068_200000210301 [1,2,0,0,0,0|1,0,0]=4 10975 B11R1.8 Cc1cc(c(c(c1)C=O)F)O 271570a_203496583355_100010161323 [1,2,0,0,0,0|0,0,0]=3 10976 B11R1.8 Cc1cc(c(c(c1)C=O)O)O 271570a_203496583355_100000698970 [1,2,0,0,0,0|0,0,0]=3 10977 B11R1.8 Cc1cc(c(c(c1)N[13CH3])C)Br 2230a_102495365385_200025704644 [1,2,0,0,0,0|1,0,0]=4 10978 B11R1.8 Cc1cc(c(c(c1)N[13CH3])C)Br 34a_102495365385_200025704644 [1,2,0,0,0,0|1,0,0]=4 10979 B11R1.8 Cc1cc(c(c(c1)N[13CH3])C)Br 7a_102495365385_200025704644 [1,2,0,0,0,0|1,0,0]=4 10980 B11R1.8 Cc1cc(c(c(c1)N[13CH3])C)C 2230a_100000035412_200025704644 [1,2,0,0,0,0|1,0,0]=4 10981 B11R1.8 Cc1cc(c(c(c1)N[13CH3])C)C 34a_100000035412_200025704644 [1,2,0,0,0,0|1,0,0]=4 10982 B11R1.8 Cc1cc(c(c(c1)N[13CH3])C)C 7a_100000035412_200025704644 [1,2,0,0,0,0|1,0,0]=4 10983 B11R1.8 Cc1cc(c(c(c1)N[13CH3])F)Br 2230a_100010589139_200025704644 [1,2,0,0,0,0|1,0,0]=4 10984 B11R1.8 Cc1cc(c(c(c1)N[13CH3])F)Br 34a_100010589139_200025704644 [1,2,0,0,0,0|1,0,0]=4 10985 B11R1.8 Cc1cc(c(c(c1)N[13CH3])F)Br 7a_100010589139_200025704644 [1,2,0,0,0,0|1,0,0]=4 10986 B11R1.8 Cc1cc(c(c(c1)N[13CH3])I)F 34a_100021129147_200025704644 [1,2,0,0,0,0|1,0,0]=4 10987 B11R1.8 Cc1cc(c(c(c1)N[13CH3])I)F 7a_100021129147_200025704644 [1,2,0,0,0,0|1,0,0]=4 10988 B11R1.8 Cc1cc(c(c(c1)N[13CH3])O)C 34a_100011216242_200025704644 [1,2,0,0,0,0|1,0,0]=4 10989 B11R1.8 Cc1cc(c(c(c1)N[13CH3])O)C 7a_100011216242_200025704644 [1,2,0,0,0,0|1,0,0]=4 10990 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Br)C 34a_100010342985_200025704644 [1,2,0,0,0,0|1,0,0]=4 10991 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Br)C 7a_100010342985_200025704644 [1,2,0,0,0,0|1,0,0]=4 10992 B11R1.8 Cc1cc(c(c(c1)O[13CH3])C)C 34a_100000230004_200025704644 [1,2,0,0,0,0|1,0,0]=4 10993 B11R1.8 Cc1cc(c(c(c1)O[13CH3])C)C 7a_100000230004_200025704644 [1,2,0,0,0,0|1,0,0]=4 10994 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Cl)C 34a_100000094344_200025704644 [1,2,0,0,0,0|1,0,0]=4 10995 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Cl)C 7a_100000094344_200025704644 [1,2,0,0,0,0|1,0,0]=4 10996 B11R1.8 Cc1cc(c(c(c1)O[13CH3])N)Cl 34a_100015906060_200025704644 [1,2,0,0,0,0|1,0,0]=4 10997 B11R1.8 Cc1cc(c(c(c1)O[13CH3])N)Cl 7a_100015906060_200025704644 [1,2,0,0,0,0|1,0,0]=4 10998 B11R1.8 Cc1cc(c(c(c1)S[13CH3])C)F 62a_100015473476_200025704644 [1,2,0,0,0,0|1,0,0]=4 10999 B11R1.8 Cc1cc(c(c(c1)S[13CH3])C)F 62a_200025704644_100015473476 [1,2,0,0,0,0|1,0,0]=4 11000 B11R1.8 Cc1cc(c(c(c1)S[13CH3])C)N 62a_102495365385_200025704644 [1,2,0,0,0,0|1,0,0]=4 11001 B11R1.8 Cc1cc(c(c(c1)S[13CH3])C)N 62a_200025704644_102495365385 [1,2,0,0,0,0|1,0,0]=4 11002 B11R1.8 Cc1cc(c(c(c1)S[13CH3])F)C 62a_200010204574_200025704644 [1,2,0,0,0,0|1,0,0]=4 11003 B11R1.8 Cc1cc(c(c(c1)S[13CH3])F)C 62a_200025704644_200010204574 [1,2,0,0,0,0|1,0,0]=4 11004 B11R1.8 Cc1cc(c(c(c1)S[13CH3])F)F 62a_100010141297_200025704644 [1,2,0,0,0,0|1,0,0]=4 11005 B11R1.8 Cc1cc(c(c(c1)S[13CH3])F)F 62a_200025704644_100010141297 [1,2,0,0,0,0|1,0,0]=4 11006 B11R1.8 Cc1cc(c(c(c1)S[13CH3])F)N 62a_100010589139_200025704644 [1,2,0,0,0,0|1,0,0]=4 11007 B11R1.8 Cc1cc(c(c(c1)S[13CH3])F)N 62a_200025704644_100010589139 [1,2,0,0,0,0|1,0,0]=4 11008 B11R1.8 Cc1cc(c(c(c1)S[13CH3])N)C 62a_100000688863_200025704644 [1,2,0,0,0,0|1,0,0]=4 11009 B11R1.8 Cc1cc(c(c(c1)S[13CH3])N)C 62a_200025704644_100000688863 [1,2,0,0,0,0|1,0,0]=4 11010 B11R1.8 Cc1cc(c(c(c1)S[13CH3])N)F 62a_100012353694_200025704644 [1,2,0,0,0,0|1,0,0]=4 11011 B11R1.8 Cc1cc(c(c(c1)S[13CH3])N)F 62a_200025704644_100012353694 [1,2,0,0,0,0|1,0,0]=4 11012 B11R1.8 Cc1cc(c(c(c1)S[13CH3])N)N 62a_100012348275_200025704644 [1,2,0,0,0,0|1,0,0]=4 11013 B11R1.8 Cc1cc(c(c(c1)S[13CH3])N)N 62a_200025704644_100012348275 [1,2,0,0,0,0|1,0,0]=4 11014 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)C 62a_100011934984_200025704644 [1,2,0,0,0,0|1,0,0]=4 11015 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)C 62a_200025704644_100011934984 [1,2,0,0,0,0|1,0,0]=4 11016 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)F 62a_200025704644_200135191068 [1,2,0,0,0,0|1,0,0]=4 11017 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)F 62a_200135191068_200025704644 [1,2,0,0,0,0|1,0,0]=4 11018 B11R1.8 Cc1cc(cc(c1C)S[13CH3])N 62a_100010368239_200025704644 [1,2,0,0,0,0|1,0,0]=4 11019 B11R1.8 Cc1cc(cc(c1C)S[13CH3])N 62a_200025704644_100010368239 [1,2,0,0,0,0|1,0,0]=4 11020 B11R1.8 Cc1cc(cc(c1C)S[13CH3])O 62a_100010068915_200025704644 [1,2,0,0,0,0|1,0,0]=4 11021 B11R1.8 Cc1cc(cc(c1C)S[13CH3])O 62a_200025704644_100010068915 [1,2,0,0,0,0|1,0,0]=4 11022 B11R1.8 Cc1cc(cc(c1F)C=O)O 271570a_203496583355_100010235757 [1,2,0,0,0,0|0,0,0]=3 11023 B11R1.8 Cc1cc(cc(c1F)N[13CH3])Br 34a_100010381932_200025704644 [1,2,0,0,0,0|1,0,0]=4 11024 B11R1.8 Cc1cc(cc(c1F)N[13CH3])Br 7a_100010381932_200025704644 [1,2,0,0,0,0|1,0,0]=4 11025 B11R1.8 Cc1cc(cc(c1F)S[13CH3])F 62a_100010291795_200025704644 [1,2,0,0,0,0|1,0,0]=4 11026 B11R1.8 Cc1cc(cc(c1F)S[13CH3])F 62a_200025704644_100010291795 [1,2,0,0,0,0|1,0,0]=4 11027 B11R1.8 Cc1cc(cc(c1I)N[13CH3])Cl 34a_100000698757_200025704644 [1,2,0,0,0,0|1,0,0]=4 11028 B11R1.8 Cc1cc(cc(c1I)N[13CH3])Cl 7a_100000698757_200025704644 [1,2,0,0,0,0|1,0,0]=4 11029 B11R1.8 Cc1cc(cc(c1I)O[13CH3])Cl 34a_100010254216_200025704644 [1,2,0,0,0,0|1,0,0]=4 11030 B11R1.8 Cc1cc(cc(c1I)O[13CH3])Cl 7a_100010254216_200025704644 [1,2,0,0,0,0|1,0,0]=4 11031 B11R1.8 Cc1cc(cc(c1N)O[13CH3])Br 34a_100010371313_200025704644 [1,2,0,0,0,0|1,0,0]=4 11032 B11R1.8 Cc1cc(cc(c1N)O[13CH3])Br 7a_100010371313_200025704644 [1,2,0,0,0,0|1,0,0]=4 11033 B11R1.8 Cc1cc(cc(c1N)S[13CH3])Br 62a_200000690823_200025704644 [1,2,0,0,0,0|1,0,0]=4 11034 B11R1.8 Cc1cc(cc(c1N)S[13CH3])Br 62a_200025704644_200000690823 [1,2,0,0,0,0|1,0,0]=4 11035 B11R1.8 Cc1cc(cc(c1N)S[13CH3])Cl 62a_100012344046_200025704644 [1,2,0,0,0,0|1,0,0]=4 11036 B11R1.8 Cc1cc(cc(c1N)S[13CH3])Cl 62a_200025704644_100012344046 [1,2,0,0,0,0|1,0,0]=4 11037 B11R1.8 Cc1cc(cc(c1N)S[13CH3])F 62a_100011216670_200025704644 [1,2,0,0,0,0|1,0,0]=4 11038 B11R1.8 Cc1cc(cc(c1N)S[13CH3])F 62a_200025704644_100011216670 [1,2,0,0,0,0|1,0,0]=4 11039 B11R1.8 Cc1cc(cc(c1O)N[13CH3])Br 34a_100011825904_200025704644 [1,2,0,0,0,0|1,0,0]=4 11040 B11R1.8 Cc1cc(cc(c1O)N[13CH3])Br 7a_100011825904_200025704644 [1,2,0,0,0,0|1,0,0]=4 11041 B11R1.8 Cc1cc(cc(c1O)N[13CH3])F 34a_100000130126_200025704644 [1,2,0,0,0,0|1,0,0]=4 11042 B11R1.8 Cc1cc(cc(c1O)N[13CH3])F 7a_100000130126_200025704644 [1,2,0,0,0,0|1,0,0]=4 11043 B11R1.8 Cc1cc(cc(c1O)S[13CH3])Cl 62a_100012343667_200025704644 [1,2,0,0,0,0|1,0,0]=4 11044 B11R1.8 Cc1cc(cc(c1O)S[13CH3])Cl 62a_200025704644_100012343667 [1,2,0,0,0,0|1,0,0]=4 11045 B11R1.8 Cc1cc(cc(c1O)S[13CH3])N 62a_100010064301_200025704644 [1,2,0,0,0,0|1,0,0]=4 11046 B11R1.8 Cc1cc(cc(c1O)S[13CH3])N 62a_200025704644_100010064301 [1,2,0,0,0,0|1,0,0]=4 11047 B11R1.8 O=Cc1cc(cc(c1F)F)O 271570a_203496583355_100009814787 [1,2,0,0,0,0|1,0,0]=4 11048 B11R1.8 O=Cc1cc(cc(c1F)O)F 271570a_203496583355_100010890130 [1,2,0,0,0,0|1,0,0]=4 11049 B11R1.8 O=Cc1cc(cc(c1O)F)O 271570a_203496583355_100011217654 [1,2,0,0,0,0|1,0,0]=4 11050 B11R1.8 O=Cc1cc(cc(c1O)O)F 271570a_203496583355_100011659637 [1,2,0,0,0,0|1,0,0]=4 11051 B11R1.13 C=C=Cc1cccc(c1C)C 271570a_100015277604_100011214922 [1,2,0,0,0,0|0,0,1]=4 11052 B11R1.13 C=C=Cc1cccc(c1Cl)C 271570a_100015277604_200012352035 [1,2,0,0,0,0|0,0,1]=4 11053 B11R1.13 C=C=Cc1cccc(c1F)C 271570a_100015277604_100000717567 [1,2,0,0,0,0|0,0,1]=4 11054 B11R1.13 C=C=Cc1cccc(c1N)C 271570a_100015277604_100011834072 [1,2,0,0,0,0|0,0,1]=4 11055 B11R1.13 C=C=Cc1cccc(c1O)C 271570a_100015277604_100009817157 [1,2,0,0,0,0|0,0,1]=4 11056 B11R1.13 CC=Cc1cccc(c1Br)O 271570a_100016259895_100010187914 [1,2,0,0,0,0|1,0,0]=4 11057 B11R1.13 CC=Cc1cccc(c1C)Br 271570a_100016259895_100012353703 [1,2,0,0,0,0|1,0,0]=4 11058 B11R1.13 CC=Cc1cccc(c1C)C 271570a_100016259895_100011214922 [1,2,0,0,0,0|0,0,0]=3 11059 B11R1.13 CC=Cc1cccc(c1C)Cl 271570a_100016259895_100000726075 [1,2,0,0,0,0|1,0,0]=4 11060 B11R1.13 CC=Cc1cccc(c1C)F 271570a_100016259895_100011216893 [1,2,0,0,0,0|1,0,0]=4 11061 B11R1.13 CC=Cc1cccc(c1C)N 271570a_100016259895_100000761887 [1,2,0,0,0,0|1,0,0]=4 11062 B11R1.13 CC=Cc1cccc(c1C)O 271570a_100016259895_100012002258 [1,2,0,0,0,0|1,0,0]=4 11063 B11R1.13 CC=Cc1cccc(c1Cl)Br 271570a_100016259895_100010142854 [1,2,0,0,0,0|1,0,0]=4 11064 B11R1.13 CC=Cc1cccc(c1Cl)C 271570a_100016259895_200012352035 [1,2,0,0,0,0|0,0,0]=3 11065 B11R1.13 CC=Cc1cccc(c1Cl)Cl 271570a_100016259895_100011215384 [1,2,0,0,0,0|1,0,0]=4 11066 B11R1.13 CC=Cc1cccc(c1Cl)F 271570a_100016259895_200010234923 [1,2,0,0,0,0|1,0,0]=4 11067 B11R1.13 CC=Cc1cccc(c1Cl)O 271570a_100016259895_100000049636 [1,2,0,0,0,0|1,0,0]=4 11068 B11R1.13 CC=Cc1cccc(c1F)Br 271570a_100016259895_100000702267 [1,2,0,0,0,0|1,0,0]=4 11069 B11R1.13 CC=Cc1cccc(c1F)C 271570a_100016259895_100000717567 [1,2,0,0,0,0|0,0,0]=3 11070 B11R1.13 CC=Cc1cccc(c1F)Cl 271570a_100016259895_100011217346 [1,2,0,0,0,0|1,0,0]=4 11071 B11R1.13 CC=Cc1cccc(c1F)F 271570a_100016259895_100000694657 [1,2,0,0,0,0|1,0,0]=4 11072 B11R1.13 CC=Cc1cccc(c1F)N 271570a_100016259895_100011935091 [1,2,0,0,0,0|1,0,0]=4 11073 B11R1.13 CC=Cc1cccc(c1F)O 271570a_100016259895_100009817021 [1,2,0,0,0,0|1,0,0]=4 11074 B11R1.13 CC=Cc1cccc(c1N)Br 271570a_100016259895_100010146558 [1,2,0,0,0,0|1,0,0]=4 11075 B11R1.13 CC=Cc1cccc(c1N)C 271570a_100016259895_100011834072 [1,2,0,0,0,0|0,0,0]=3 11076 B11R1.13 CC=Cc1cccc(c1N)Cl 271570a_100016259895_100010190421 [1,2,0,0,0,0|1,0,0]=4 11077 B11R1.13 CC=Cc1cccc(c1N)F 271570a_100016259895_100000042321 [1,2,0,0,0,0|1,0,0]=4 11078 B11R1.13 CC=Cc1cccc(c1N)N 271570a_100016259895_100015191791 [1,2,0,0,0,0|1,0,0]=4 11079 B11R1.13 CC=Cc1cccc(c1N)O 271570a_100016259895_100011934926 [1,2,0,0,0,0|1,0,0]=4 11080 B11R1.13 CC=Cc1cccc(c1O)Br 271570a_100016259895_100010084509 [1,2,0,0,0,0|1,0,0]=4 11081 B11R1.13 CC=Cc1cccc(c1O)C 271570a_100016259895_100009817157 [1,2,0,0,0,0|0,0,0]=3 11082 B11R1.13 CC=Cc1cccc(c1O)Cl 271570a_100016259895_100010202889 [1,2,0,0,0,0|1,0,0]=4 11083 B11R1.13 CC=Cc1cccc(c1O)F 271570a_100016259895_100009813666 [1,2,0,0,0,0|1,0,0]=4 11084 B11R1.13 CC=Cc1cccc(c1O)N 271570a_100016259895_100011934915 [1,2,0,0,0,0|1,0,0]=4 11085 B11R1.13 CC=Cc1cccc(c1O)O 271570a_100016259895_100009815950 [1,2,0,0,0,0|1,0,0]=4 11086 B11R1.13 CC=Cc1cccn(c1=O)C 271570a_100016259895_100000687173 [1,2,0,0,0,0|1,0,0]=4 11087 B11R1.13 CC=Cc1ccnc(c1C)C 271570a_100016259895_100009846815 [1,2,0,0,0,0|1,0,0]=4 11088 B11R1.13 CC=Cc1ccnc(c1Cl)C 271570a_100016259895_100000698670 [1,2,0,0,0,0|1,0,0]=4 11089 B11R1.13 CC=Cc1ccnc(c1F)C 271570a_100016259895_100009849794 [1,2,0,0,0,0|1,0,0]=4 11090 B11R1.13 CC=Cc1ccnc(c1N)C 271570a_100016259895_100009885578 [1,2,0,0,0,0|1,0,0]=4 11091 B11R1.13 CC=Cc1cncc(c1C)C 271570a_100016259895_100009864703 [1,2,0,0,0,0|1,0,0]=4 11092 B11R1.13 CC=Cc1cncc(c1N)C 271570a_100016259895_100009818025 [1,2,0,0,0,0|1,0,0]=4 11093 B11R1.13 CC=Cc1nccc(c1C)C 271570a_100016259895_100009847204 [1,2,0,0,0,0|1,0,0]=4 11094 B11R1.13 CC=Cc1nccc(c1F)C 271570a_100016259895_100009817629 [1,2,0,0,0,0|1,0,0]=4 11095 B11R1.13 CC=Cc1nccc(c1N)C 271570a_100016259895_100000763560 [1,2,0,0,0,0|1,0,0]=4 11096 B11R1.13 CC=Cc1nccc(c1O)C 271570a_100016259895_100000696282 [1,2,0,0,0,0|1,0,0]=4 11097 B11R1.13 CCNc1cccc(c1Br)C 34a_100000684715_100000210202 [1,2,0,0,0,0|0,0,1]=4 11098 B11R1.13 CCNc1cccc(c1C)C 2230a_100000210026_100000210202 [1,2,0,0,0,0|0,0,1]=4 11099 B11R1.13 CCNc1cccc(c1C)C 34a_100000210026_100000210202 [1,2,0,0,0,0|0,0,1]=4 11100 B11R1.13 CCNc1cccc(c1C)C 7a_100000210026_100000210202 [1,2,0,0,0,0|0,0,1]=4 11101 B11R1.13 CCNc1cccc(c1Cl)C 34a_100000765562_100000210202 [1,2,0,0,0,0|0,0,1]=4 11102 B11R1.13 CCNc1cccc(c1Cl)C 7a_100000765562_100000210202 [1,2,0,0,0,0|0,0,1]=4 11103 B11R1.13 CCNc1cccc(c1F)C 2230a_100000697159_100000210202 [1,2,0,0,0,0|0,0,1]=4 11104 B11R1.13 CCNc1cccc(c1F)C 34a_100000697159_100000210202 [1,2,0,0,0,0|0,0,1]=4 11105 B11R1.13 CCNc1cccc(c1F)C 7a_100000697159_100000210202 [1,2,0,0,0,0|0,0,1]=4 11106 B11R1.13 CCNc1cccc(c1I)C 34a_100000761888_100000210202 [1,2,0,0,0,0|0,0,1]=4 11107 B11R1.13 CCNc1cccc(c1O)C 34a_100000756359_100000210202 [1,2,0,0,0,0|0,0,1]=4 11108 B11R1.13 CCOc1cccc(c1Br)C 34a_100000686692_100000210202 [1,2,0,0,0,0|0,0,1]=4 11109 B11R1.13 CCOc1cccc(c1Br)C 7a_100000686692_100000210202 [1,2,0,0,0,0|0,0,1]=4 11110 B11R1.13 CCOc1cccc(c1C)C 34a_100000185855_100000210202 [1,2,0,0,0,0|0,0,1]=4 11111 B11R1.13 CCOc1cccc(c1C)C 7a_100000185855_100000210202 [1,2,0,0,0,0|0,0,1]=4 11112 B11R1.13 CCOc1cccc(c1Cl)C 34a_100000695629_100000210202 [1,2,0,0,0,0|0,0,1]=4 11113 B11R1.13 CCOc1cccc(c1Cl)C 7a_100000695629_100000210202 [1,2,0,0,0,0|0,0,1]=4 11114 B11R1.13 CCOc1cccc(c1F)C 34a_100000751311_100000210202 [1,2,0,0,0,0|0,0,1]=4 11115 B11R1.13 CCOc1cccc(c1F)C 7a_100000751311_100000210202 [1,2,0,0,0,0|0,0,1]=4 11116 B11R1.13 CCOc1cccc(c1I)C 34a_100010083724_100000210202 [1,2,0,0,0,0|0,0,1]=4 11117 B11R1.13 CCOc1cccc(c1I)C 7a_100010083724_100000210202 [1,2,0,0,0,0|0,0,1]=4 11118 B11R1.13 CCOc1cccc(c1N)C 34a_100000743429_100000210202 [1,2,0,0,0,0|0,0,1]=4 11119 B11R1.13 CCOc1cccc(c1N)C 7a_100000743429_100000210202 [1,2,0,0,0,0|0,0,1]=4 11120 B11R1.13 CCSc1cccc(c1Br)C 62a_100000210202_100012362457 [1,2,0,0,0,0|0,0,1]=4 11121 B11R1.13 CCSc1cccc(c1Br)C 62a_100012362457_100000210202 [1,2,0,0,0,0|0,0,1]=4 11122 B11R1.13 CCSc1cccc(c1C)C 62a_100000210202_100011214922 [1,2,0,0,0,0|0,0,1]=4 11123 B11R1.13 CCSc1cccc(c1C)C 62a_100011214922_100000210202 [1,2,0,0,0,0|0,0,1]=4 11124 B11R1.13 CCSc1cccc(c1Cl)C 62a_100000210202_200012352035 [1,2,0,0,0,0|0,0,1]=4 11125 B11R1.13 CCSc1cccc(c1Cl)C 62a_200012352035_100000210202 [1,2,0,0,0,0|0,0,1]=4 11126 B11R1.13 CCSc1cccc(c1F)C 62a_100000210202_100000717567 [1,2,0,0,0,0|0,0,1]=4 11127 B11R1.13 CCSc1cccc(c1F)C 62a_100000717567_100000210202 [1,2,0,0,0,0|0,0,1]=4 11128 B11R1.13 CCSc1cccc(c1N)C 62a_100000210202_100011834072 [1,2,0,0,0,0|0,0,1]=4 11129 B11R1.13 CCSc1cccc(c1N)C 62a_100011834072_100000210202 [1,2,0,0,0,0|0,0,1]=4 11130 B11R1.13 CCSc1cccc(c1O)C 62a_100000210202_100009817157 [1,2,0,0,0,0|0,0,1]=4 11131 B11R1.13 CCSc1cccc(c1O)C 62a_100009817157_100000210202 [1,2,0,0,0,0|0,0,1]=4 11132 B11R1.13 CNCc1cccc(c1Br)C 207a_100102657272_100012186367 [1,2,0,0,0,0|0,0,1]=4 11133 B11R1.13 CNCc1cccc(c1Br)C 2230a_106832991635_200012349612 [1,2,0,0,0,0|0,0,1]=4 11134 B11R1.13 CNCc1cccc(c1Br)C 26a_100102657272_100000686692 [1,2,0,0,0,0|0,0,1]=4 11135 B11R1.13 CNCc1cccc(c1Br)C 270004a_106832991635_100012186367 [1,2,0,0,0,0|0,0,1]=4 11136 B11R1.13 CNCc1cccc(c1Br)C 34a_100102657272_200012349612 [1,2,0,0,0,0|0,0,1]=4 11137 B11R1.13 CNCc1cccc(c1Br)C 7a_106832991635_200012349612 [1,2,0,0,0,0|0,0,1]=4 11138 B11R1.13 CNCc1cccc(c1C)C 207a_100102657272_100000229941 [1,2,0,0,0,0|0,0,1]=4 11139 B11R1.13 CNCc1cccc(c1C)C 2230a_100011211637_200000210301 [1,2,0,0,0,0|0,0,1]=4 11140 B11R1.13 CNCc1cccc(c1C)C 2230a_106832991635_100011515928 [1,2,0,0,0,0|0,0,1]=4 11141 B11R1.13 CNCc1cccc(c1C)C 270004a_106832991635_100000229941 [1,2,0,0,0,0|0,0,1]=4 11142 B11R1.13 CNCc1cccc(c1C)C 34a_100011211637_200000210301 [1,2,0,0,0,0|0,0,1]=4 11143 B11R1.13 CNCc1cccc(c1C)C 34a_100102657272_100011273979 [1,2,0,0,0,0|0,0,1]=4 11144 B11R1.13 CNCc1cccc(c1C)C 7a_106832991635_100011515928 [1,2,0,0,0,0|0,0,1]=4 11145 B11R1.13 CNCc1cccc(c1Cl)C 207a_100102657272_100012017286 [1,2,0,0,0,0|0,0,1]=4 11146 B11R1.13 CNCc1cccc(c1Cl)C 2230a_100025705714_200000210301 [1,2,0,0,0,0|0,0,1]=4 11147 B11R1.13 CNCc1cccc(c1Cl)C 26a_100102657272_100000695629 [1,2,0,0,0,0|0,0,1]=4 11148 B11R1.13 CNCc1cccc(c1Cl)C 270004a_106832991635_100012017286 [1,2,0,0,0,0|0,0,1]=4 11149 B11R1.13 CNCc1cccc(c1Cl)C 34a_100025705714_200000210301 [1,2,0,0,0,0|0,0,1]=4 11150 B11R1.13 CNCc1cccc(c1F)C 207a_100102657272_100011219516 [1,2,0,0,0,0|0,0,1]=4 11151 B11R1.13 CNCc1cccc(c1F)C 2230a_100012002060_200000210301 [1,2,0,0,0,0|0,0,1]=4 11152 B11R1.13 CNCc1cccc(c1F)C 2230a_106832991635_100011216058 [1,2,0,0,0,0|0,0,1]=4 11153 B11R1.13 CNCc1cccc(c1F)C 270004a_106832991635_100011219516 [1,2,0,0,0,0|0,0,1]=4 11154 B11R1.13 CNCc1cccc(c1F)C 34a_100012002060_200000210301 [1,2,0,0,0,0|0,0,1]=4 11155 B11R1.13 CNCc1cccc(c1F)C 34a_100102657272_100011216058 [1,2,0,0,0,0|0,0,1]=4 11156 B11R1.13 CNCc1cccc(c1F)C 7a_106832991635_100011216058 [1,2,0,0,0,0|0,0,1]=4 11157 B11R1.13 CNCc1cccc(c1O)C 34a_100020639391_200000210301 [1,2,0,0,0,0|0,0,1]=4 11158 B11R1.13 COCc1cccc(c1Br)C 34a_100011659289_200000210301 [1,2,0,0,0,0|0,0,1]=4 11159 B11R1.13 COCc1cccc(c1Br)C 34a_100138415774_200012349612 [1,2,0,0,0,0|0,0,1]=4 11160 B11R1.13 COCc1cccc(c1Br)C 7a_100011659289_200000210301 [1,2,0,0,0,0|0,0,1]=4 11161 B11R1.13 COCc1cccc(c1C)C 34a_100011219135_200000210301 [1,2,0,0,0,0|0,0,1]=4 11162 B11R1.13 COCc1cccc(c1C)C 34a_100138415774_100011273979 [1,2,0,0,0,0|0,0,1]=4 11163 B11R1.13 COCc1cccc(c1C)C 7a_100011219135_200000210301 [1,2,0,0,0,0|0,0,1]=4 11164 B11R1.13 COCc1cccc(c1Cl)C 34a_100000710031_200000210301 [1,2,0,0,0,0|0,0,1]=4 11165 B11R1.13 COCc1cccc(c1Cl)C 7a_100000710031_200000210301 [1,2,0,0,0,0|0,0,1]=4 11166 B11R1.13 COCc1cccc(c1F)C 34a_100138415774_100011216058 [1,2,0,0,0,0|0,0,1]=4 11167 B11R1.13 COCc1cccc(c1F)C 34a_200011219517_200000210301 [1,2,0,0,0,0|0,0,1]=4 11168 B11R1.13 COCc1cccc(c1F)C 7a_200011219517_200000210301 [1,2,0,0,0,0|0,0,1]=4 11169 B11R1.13 COCc1cccc(c1I)C 34a_100012349780_200000210301 [1,2,0,0,0,0|0,0,1]=4 11170 B11R1.13 COCc1cccc(c1I)C 7a_100012349780_200000210301 [1,2,0,0,0,0|0,0,1]=4 11171 B11R1.13 COCc1cccc(c1N)C 34a_100011215590_200000210301 [1,2,0,0,0,0|0,0,1]=4 11172 B11R1.13 CSCc1cccc(c1Br)C 62a_200000210301_200012349612 [1,2,0,0,0,0|0,0,1]=4 11173 B11R1.13 CSCc1cccc(c1Br)C 62a_200012349612_200000210301 [1,2,0,0,0,0|0,0,1]=4 11174 B11R1.13 CSCc1cccc(c1C)C 62a_100011515928_200000210301 [1,2,0,0,0,0|0,0,1]=4 11175 B11R1.13 CSCc1cccc(c1C)C 62a_200000210301_100011515928 [1,2,0,0,0,0|0,0,1]=4 11176 B11R1.13 CSCc1cccc(c1F)C 62a_100011216058_200000210301 [1,2,0,0,0,0|0,0,1]=4 11177 B11R1.13 CSCc1cccc(c1F)C 62a_200000210301_100011216058 [1,2,0,0,0,0|0,0,1]=4 11178 B11R1.13 Cc1cccc(c1Br)CO[13CH3] 34a_100011659289_200025704644 [1,2,0,0,0,0|0,0,1]=4 11179 B11R1.13 Cc1cccc(c1Br)CO[13CH3] 7a_100011659289_200025704644 [1,2,0,0,0,0|0,0,1]=4 11180 B11R1.13 Cc1cccc(c1Br)CS[13CH3] 62a_200012349612_200025704644 [1,2,0,0,0,0|0,0,1]=4 11181 B11R1.13 Cc1cccc(c1Br)CS[13CH3] 62a_200025704644_200012349612 [1,2,0,0,0,0|0,0,1]=4 11182 B11R1.13 Cc1cccc(c1Br)NCF 34a_100000684715_100015361967 [1,2,0,0,0,0|1,0,0]=4 11183 B11R1.13 Cc1cccc(c1Br)OCF 34a_100000686692_100015361967 [1,2,0,0,0,0|1,0,0]=4 11184 B11R1.13 Cc1cccc(c1Br)OCF 7a_100000686692_100015361967 [1,2,0,0,0,0|1,0,0]=4 11185 B11R1.13 Cc1cccc(c1Br)SCF 62a_100012362457_100015361967 [1,2,0,0,0,0|1,0,0]=4 11186 B11R1.13 Cc1cccc(c1Br)SCF 62a_100015361967_100012362457 [1,2,0,0,0,0|1,0,0]=4 11187 B11R1.13 Cc1cccc(c1C)CN[13CH3] 2230a_100011211637_200025704644 [1,2,0,0,0,0|0,0,1]=4 11188 B11R1.13 Cc1cccc(c1C)CN[13CH3] 34a_100011211637_200025704644 [1,2,0,0,0,0|0,0,1]=4 11189 B11R1.13 Cc1cccc(c1C)CO[13CH3] 34a_100011219135_200025704644 [1,2,0,0,0,0|0,0,1]=4 11190 B11R1.13 Cc1cccc(c1C)CO[13CH3] 7a_100011219135_200025704644 [1,2,0,0,0,0|0,0,1]=4 11191 B11R1.13 Cc1cccc(c1C)CS[13CH3] 62a_100011515928_200025704644 [1,2,0,0,0,0|0,0,1]=4 11192 B11R1.13 Cc1cccc(c1C)CS[13CH3] 62a_200025704644_100011515928 [1,2,0,0,0,0|0,0,1]=4 11193 B11R1.13 Cc1cccc(c1C)NCF 34a_100000210026_100015361967 [1,2,0,0,0,0|1,0,0]=4 11194 B11R1.13 Cc1cccc(c1C)NCF 7a_100000210026_100015361967 [1,2,0,0,0,0|1,0,0]=4 11195 B11R1.13 Cc1cccc(c1C)OCF 34a_100000185855_100015361967 [1,2,0,0,0,0|1,0,0]=4 11196 B11R1.13 Cc1cccc(c1C)OCF 7a_100000185855_100015361967 [1,2,0,0,0,0|1,0,0]=4 11197 B11R1.13 Cc1cccc(c1C)SCF 62a_100011214922_100015361967 [1,2,0,0,0,0|1,0,0]=4 11198 B11R1.13 Cc1cccc(c1C)SCF 62a_100015361967_100011214922 [1,2,0,0,0,0|1,0,0]=4 11199 B11R1.13 Cc1cccc(c1Cl)CN[13CH3] 2230a_100025705714_200025704644 [1,2,0,0,0,0|0,0,1]=4 11200 B11R1.13 Cc1cccc(c1Cl)CN[13CH3] 34a_100025705714_200025704644 [1,2,0,0,0,0|0,0,1]=4 11201 B11R1.13 Cc1cccc(c1Cl)CO[13CH3] 34a_100000710031_200025704644 [1,2,0,0,0,0|0,0,1]=4 11202 B11R1.13 Cc1cccc(c1Cl)CO[13CH3] 7a_100000710031_200025704644 [1,2,0,0,0,0|0,0,1]=4 11203 B11R1.13 Cc1cccc(c1Cl)NCF 34a_100000765562_100015361967 [1,2,0,0,0,0|1,0,0]=4 11204 B11R1.13 Cc1cccc(c1Cl)NCF 7a_100000765562_100015361967 [1,2,0,0,0,0|1,0,0]=4 11205 B11R1.13 Cc1cccc(c1Cl)OCF 34a_100000695629_100015361967 [1,2,0,0,0,0|1,0,0]=4 11206 B11R1.13 Cc1cccc(c1Cl)OCF 7a_100000695629_100015361967 [1,2,0,0,0,0|1,0,0]=4 11207 B11R1.13 Cc1cccc(c1Cl)SCF 62a_100015361967_200012352035 [1,2,0,0,0,0|1,0,0]=4 11208 B11R1.13 Cc1cccc(c1Cl)SCF 62a_200012352035_100015361967 [1,2,0,0,0,0|1,0,0]=4 11209 B11R1.13 Cc1cccc(c1F)CN[13CH3] 2230a_100012002060_200025704644 [1,2,0,0,0,0|0,0,1]=4 11210 B11R1.13 Cc1cccc(c1F)CN[13CH3] 34a_100012002060_200025704644 [1,2,0,0,0,0|0,0,1]=4 11211 B11R1.13 Cc1cccc(c1F)CO[13CH3] 34a_200011219517_200025704644 [1,2,0,0,0,0|0,0,1]=4 11212 B11R1.13 Cc1cccc(c1F)CO[13CH3] 7a_200011219517_200025704644 [1,2,0,0,0,0|0,0,1]=4 11213 B11R1.13 Cc1cccc(c1F)CS[13CH3] 62a_100011216058_200025704644 [1,2,0,0,0,0|0,0,1]=4 11214 B11R1.13 Cc1cccc(c1F)CS[13CH3] 62a_200025704644_100011216058 [1,2,0,0,0,0|0,0,1]=4 11215 B11R1.13 Cc1cccc(c1F)NCF 34a_100000697159_100015361967 [1,2,0,0,0,0|1,0,0]=4 11216 B11R1.13 Cc1cccc(c1F)NCF 7a_100000697159_100015361967 [1,2,0,0,0,0|1,0,0]=4 11217 B11R1.13 Cc1cccc(c1F)OCF 34a_100000751311_100015361967 [1,2,0,0,0,0|1,0,0]=4 11218 B11R1.13 Cc1cccc(c1F)OCF 7a_100000751311_100015361967 [1,2,0,0,0,0|1,0,0]=4 11219 B11R1.13 Cc1cccc(c1F)SCF 62a_100000717567_100015361967 [1,2,0,0,0,0|1,0,0]=4 11220 B11R1.13 Cc1cccc(c1F)SCF 62a_100015361967_100000717567 [1,2,0,0,0,0|1,0,0]=4 11221 B11R1.13 Cc1cccc(c1I)CO[13CH3] 34a_100012349780_200025704644 [1,2,0,0,0,0|0,0,1]=4 11222 B11R1.13 Cc1cccc(c1I)CO[13CH3] 7a_100012349780_200025704644 [1,2,0,0,0,0|0,0,1]=4 11223 B11R1.13 Cc1cccc(c1I)NCF 34a_100000761888_100015361967 [1,2,0,0,0,0|1,0,0]=4 11224 B11R1.13 Cc1cccc(c1I)OCF 34a_100010083724_100015361967 [1,2,0,0,0,0|1,0,0]=4 11225 B11R1.13 Cc1cccc(c1I)OCF 7a_100010083724_100015361967 [1,2,0,0,0,0|1,0,0]=4 11226 B11R1.13 Cc1cccc(c1N)CO[13CH3] 34a_100011215590_200025704644 [1,2,0,0,0,0|0,0,1]=4 11227 B11R1.13 Cc1cccc(c1N)OCF 34a_100000743429_100015361967 [1,2,0,0,0,0|1,0,0]=4 11228 B11R1.13 Cc1cccc(c1N)OCF 7a_100000743429_100015361967 [1,2,0,0,0,0|1,0,0]=4 11229 B11R1.13 Cc1cccc(c1N)SCF 62a_100011834072_100015361967 [1,2,0,0,0,0|1,0,0]=4 11230 B11R1.13 Cc1cccc(c1N)SCF 62a_100015361967_100011834072 [1,2,0,0,0,0|1,0,0]=4 11231 B11R1.13 Cc1cccc(c1O)CN[13CH3] 34a_100020639391_200025704644 [1,2,0,0,0,0|0,0,1]=4 11232 B11R1.13 Cc1cccc(c1O)NCF 34a_100000756359_100015361967 [1,2,0,0,0,0|1,0,0]=4 11233 B11R1.13 Cc1cccc(c1O)SCF 62a_100009817157_100015361967 [1,2,0,0,0,0|1,0,0]=4 11234 B11R1.13 Cc1cccc(c1O)SCF 62a_100015361967_100009817157 [1,2,0,0,0,0|1,0,0]=4 11235 B11R1.72 CNc1c(ccc(c1C)C)C 2230a_100000117417_200000210301 [1,2,0,0,0,0|1,0,0]=4 11236 B11R1.72 CNc1c(ccc(c1C)C)C 34a_100000117417_200000210301 [1,2,0,0,0,0|1,0,0]=4 11237 B11R1.72 CNc1c(ccc(c1C)C)C 7a_100000117417_200000210301 [1,2,0,0,0,0|1,0,0]=4 11238 B11R1.72 CNc1c(ccc(c1Cl)C)Cl 34a_100000210993_200000210301 [1,2,0,0,0,0|1,0,0]=4 11239 B11R1.72 CNc1c(ccc(c1Cl)C)F 34a_106744479701_200000210301 [1,2,0,0,0,0|1,0,0]=4 11240 B11R1.72 CNc1c(ccc(c1F)C)Cl 34a_100000062009_200000210301 [1,2,0,0,0,0|1,0,0]=4 11241 B11R1.72 CNc1c(ccc(c1F)C)F 2230a_102495364760_200000210301 [1,2,0,0,0,0|1,0,0]=4 11242 B11R1.72 CNc1c(ccc(c1F)C)F 34a_102495364760_200000210301 [1,2,0,0,0,0|1,0,0]=4 11243 B11R1.72 COc1c(ccc(c1Br)C)F 34a_200010223207_200000210301 [1,2,0,0,0,0|1,0,0]=4 11244 B11R1.72 COc1c(ccc(c1Br)C)F 7a_200010223207_200000210301 [1,2,0,0,0,0|1,0,0]=4 11245 B11R1.72 COc1c(ccc(c1C)C)C 34a_100000211305_200000210301 [1,2,0,0,0,0|1,0,0]=4 11246 B11R1.72 COc1c(ccc(c1C)C)C 7a_100000211305_200000210301 [1,2,0,0,0,0|1,0,0]=4 11247 B11R1.72 COc1c(ccc(c1Cl)C)Cl 34a_200000087117_200000210301 [1,2,0,0,0,0|1,0,0]=4 11248 B11R1.72 COc1c(ccc(c1Cl)C)Cl 7a_200000087117_200000210301 [1,2,0,0,0,0|1,0,0]=4 11249 B11R1.72 COc1c(ccc(c1Cl)C)F 34a_100000035349_200000210301 [1,2,0,0,0,0|1,0,0]=4 11250 B11R1.72 COc1c(ccc(c1Cl)C)F 7a_100000035349_200000210301 [1,2,0,0,0,0|1,0,0]=4 11251 B11R1.72 COc1c(ccc(c1F)C)Br 34a_100000722096_200000210301 [1,2,0,0,0,0|1,0,0]=4 11252 B11R1.72 COc1c(ccc(c1F)C)Br 7a_100000722096_200000210301 [1,2,0,0,0,0|1,0,0]=4 11253 B11R1.72 COc1c(ccc(c1F)C)Cl 34a_200000034537_200000210301 [1,2,0,0,0,0|1,0,0]=4 11254 B11R1.72 COc1c(ccc(c1F)C)Cl 7a_200000034537_200000210301 [1,2,0,0,0,0|1,0,0]=4 11255 B11R1.72 COc1c(ccc(c1F)C)F 34a_100011216644_200000210301 [1,2,0,0,0,0|1,0,0]=4 11256 B11R1.72 COc1c(ccc(c1F)C)F 7a_100011216644_200000210301 [1,2,0,0,0,0|1,0,0]=4 11257 B11R1.72 COc1c(ccc(c1F)C)O 271570a_203496583355_100010081143 [1,2,0,0,0,0|1,0,0]=4 11258 B11R1.72 CSc1c(ccc(c1F)C)O 271570a_203496583355_200134762213 [1,2,0,0,0,0|1,0,0]=4 11259 B11R1.72 Cc1ccc(c(c1Br)O[13CH3])F 34a_200010223207_200025704644 [1,2,0,0,0,0|1,0,0]=4 11260 B11R1.72 Cc1ccc(c(c1Br)O[13CH3])F 7a_200010223207_200025704644 [1,2,0,0,0,0|1,0,0]=4 11261 B11R1.72 Cc1ccc(c(c1C)N[13CH3])C 2230a_100000117417_200025704644 [1,2,0,0,0,0|1,0,0]=4 11262 B11R1.72 Cc1ccc(c(c1C)N[13CH3])C 34a_100000117417_200025704644 [1,2,0,0,0,0|1,0,0]=4 11263 B11R1.72 Cc1ccc(c(c1C)N[13CH3])C 7a_100000117417_200025704644 [1,2,0,0,0,0|1,0,0]=4 11264 B11R1.72 Cc1ccc(c(c1C)O[13CH3])C 34a_100000211305_200025704644 [1,2,0,0,0,0|1,0,0]=4 11265 B11R1.72 Cc1ccc(c(c1C)O[13CH3])C 7a_100000211305_200025704644 [1,2,0,0,0,0|1,0,0]=4 11266 B11R1.72 Cc1ccc(c(c1Cl)N[13CH3])Cl 34a_100000210993_200025704644 [1,2,0,0,0,0|1,0,0]=4 11267 B11R1.72 Cc1ccc(c(c1Cl)N[13CH3])F 34a_106744479701_200025704644 [1,2,0,0,0,0|1,0,0]=4 11268 B11R1.72 Cc1ccc(c(c1Cl)O[13CH3])Cl 34a_200000087117_200025704644 [1,2,0,0,0,0|1,0,0]=4 11269 B11R1.72 Cc1ccc(c(c1Cl)O[13CH3])Cl 7a_200000087117_200025704644 [1,2,0,0,0,0|1,0,0]=4 11270 B11R1.72 Cc1ccc(c(c1Cl)O[13CH3])F 34a_100000035349_200025704644 [1,2,0,0,0,0|1,0,0]=4 11271 B11R1.72 Cc1ccc(c(c1Cl)O[13CH3])F 7a_100000035349_200025704644 [1,2,0,0,0,0|1,0,0]=4 11272 B11R1.72 Cc1ccc(c(c1F)C=O)O 271570a_203496583355_100000039034 [1,2,0,0,0,0|0,0,0]=3 11273 B11R1.72 Cc1ccc(c(c1F)N[13CH3])Cl 34a_100000062009_200025704644 [1,2,0,0,0,0|1,0,0]=4 11274 B11R1.72 Cc1ccc(c(c1F)N[13CH3])F 2230a_102495364760_200025704644 [1,2,0,0,0,0|1,0,0]=4 11275 B11R1.72 Cc1ccc(c(c1F)N[13CH3])F 34a_102495364760_200025704644 [1,2,0,0,0,0|1,0,0]=4 11276 B11R1.72 Cc1ccc(c(c1F)O[13CH3])Br 34a_100000722096_200025704644 [1,2,0,0,0,0|1,0,0]=4 11277 B11R1.72 Cc1ccc(c(c1F)O[13CH3])Br 7a_100000722096_200025704644 [1,2,0,0,0,0|1,0,0]=4 11278 B11R1.72 Cc1ccc(c(c1F)O[13CH3])Cl 34a_200000034537_200025704644 [1,2,0,0,0,0|1,0,0]=4 11279 B11R1.72 Cc1ccc(c(c1F)O[13CH3])Cl 7a_200000034537_200025704644 [1,2,0,0,0,0|1,0,0]=4 11280 B11R1.72 Cc1ccc(c(c1F)O[13CH3])F 34a_100011216644_200025704644 [1,2,0,0,0,0|1,0,0]=4 11281 B11R1.72 Cc1ccc(c(c1F)O[13CH3])F 7a_100011216644_200025704644 [1,2,0,0,0,0|1,0,0]=4 11282 B11R1.72 Cc1ccc(c(c1O)C=O)F 271570a_203496583355_100000033498 [1,2,0,0,0,0|0,0,0]=3 11283 B11R1.72 O=Cc1c(ccc(c1F)F)O 271570a_203496583355_100009814791 [1,2,0,0,0,0|1,0,0]=4 11284 B11R1.72 O=Cc1c(ccc(c1F)O)Br 271570a_203496583355_100010769263 [1,2,0,0,0,0|1,0,0]=4 11285 B11R1.72 O=Cc1c(ccc(c1F)O)Cl 271570a_203496583355_100010782290 [1,2,0,0,0,0|1,0,0]=4 11286 B11R1.72 O=Cc1c(ccc(c1F)O)F 271570a_203496583355_100000725362 [1,2,0,0,0,0|1,0,0]=4 11287 B11R1.72 O=Cc1c(ccc(c1O)F)F 271570a_203496583355_100000034233 [1,2,0,0,0,0|1,0,0]=4 11288 B11R1.72 O=Cc1c(ccc(c1O)F)O 271570a_203496583355_100010762561 [1,2,0,0,0,0|1,0,0]=4 11289 B11R1.72 O=Cc1c(ccc(c1O)O)O 271570a_203496583355_100010184888 [1,2,0,0,0,0|1,0,0]=4 11290 B11R1.265 C=Cc1c(cccc1C=O)F 271570a_100011290941_100011998484 [1,2,0,0,0,0|1,0,0]=4 11291 B11R1.265 C=Cc1c(cccc1C=O)O 271570a_100011290941_100009816417 [1,2,0,0,0,0|1,0,0]=4 11292 B11R1.265 C=Cc1c(cccc1CC)C 271570a_100011290941_100000036235 [1,2,0,0,0,0|0,0,1]=4 11293 B11R1.265 C=Cc1cccc(c1C#N)C 271570a_100011290941_100009819585 [1,2,0,0,0,0|0,0,1]=4 11294 B11R1.265 C=Cc1cccc(c1C=O)C 271570a_100011290941_100000041122 [1,2,0,0,0,0|0,0,1]=4 11295 B11R1.265 C=Cc1cccc(c1OC)C 271570a_100011290941_100010141385 [1,2,0,0,0,0|0,0,1]=4 11296 B11R1.265 CCc1cccc(c1NC)C 2230a_100000210048_200000210301 [1,2,0,0,0,0|0,0,1]=4 11297 B11R1.265 CCc1cccc(c1NC)C 34a_100000210048_200000210301 [1,2,0,0,0,0|0,0,1]=4 11298 B11R1.265 CCc1cccc(c1NC)C 7a_100000210048_200000210301 [1,2,0,0,0,0|0,0,1]=4 11299 B11R1.265 CCc1cccc(c1N[13CH3])C 2230a_100000210048_200025704644 [1,2,0,0,0,0|0,0,1]=4 11300 B11R1.265 CCc1cccc(c1N[13CH3])C 34a_100000210048_200025704644 [1,2,0,0,0,0|0,0,1]=4 11301 B11R1.265 CCc1cccc(c1N[13CH3])C 7a_100000210048_200025704644 [1,2,0,0,0,0|0,0,1]=4 11302 B11R1.265 CCc1cccc(c1OC)C 34a_100000034007_200000210301 [1,2,0,0,0,0|0,0,1]=4 11303 B11R1.265 CCc1cccc(c1OC)C 7a_100000034007_200000210301 [1,2,0,0,0,0|0,0,1]=4 11304 B11R1.265 CCc1cccc(c1O[13CH3])C 34a_100000034007_200025704644 [1,2,0,0,0,0|0,0,1]=4 11305 B11R1.265 CCc1cccc(c1O[13CH3])C 7a_100000034007_200025704644 [1,2,0,0,0,0|0,0,1]=4 11306 B11R1.265 CCc1cccc(c1SC)C 62a_100000036235_200000210301 [1,2,0,0,0,0|0,0,1]=4 11307 B11R1.265 CCc1cccc(c1SC)C 62a_200000210301_100000036235 [1,2,0,0,0,0|0,0,1]=4 11308 B11R1.265 CCc1cccc(c1S[13CH3])C 62a_100000036235_200025704644 [1,2,0,0,0,0|0,0,1]=4 11309 B11R1.265 CCc1cccc(c1S[13CH3])C 62a_200025704644_100000036235 [1,2,0,0,0,0|0,0,1]=4 11310 B11R1.265 CNc1c(cccc1OC)C 2230a_100000758225_200000210301 [1,2,0,0,0,0|1,0,0]=4 11311 B11R1.265 CNc1c(cccc1OC)C 34a_100000758225_200000210301 [1,2,0,0,0,0|1,0,0]=4 11312 B11R1.265 CNc1cccc(c1C#N)C 2230a_100000763283_200000210301 [1,2,0,0,0,0|1,0,0]=4 11313 B11R1.265 CNc1cccc(c1C#N)C 34a_100000763283_200000210301 [1,2,0,0,0,0|1,0,0]=4 11314 B11R1.265 CNc1cccc(c1C#N)C 7a_100000763283_200000210301 [1,2,0,0,0,0|1,0,0]=4 11315 B11R1.265 CNc1cccc(c1OC)C 34a_100012017360_200000210301 [1,2,0,0,0,0|1,0,0]=4 11316 B11R1.265 COc1c(cccc1C=O)O 271570a_203496583355_100000692592 [1,2,0,0,0,0|1,0,0]=4 11317 B11R1.265 COc1c(cccc1N[13CH3])C 34a_100012017360_200025704644 [1,2,0,0,0,0|1,0,0]=4 11318 B11R1.265 COc1c(cccc1SC)C 62a_100010141385_200000210301 [1,2,0,0,0,0|1,0,0]=4 11319 B11R1.265 COc1c(cccc1SC)C 62a_200000210301_100010141385 [1,2,0,0,0,0|1,0,0]=4 11320 B11R1.265 COc1c(cccc1S[13CH3])C 62a_100010141385_200025704644 [1,2,0,0,0,0|1,0,0]=4 11321 B11R1.265 COc1c(cccc1S[13CH3])C 62a_200025704644_100010141385 [1,2,0,0,0,0|1,0,0]=4 11322 B11R1.265 COc1cccc(c1C#N)C 34a_100000079363_200000210301 [1,2,0,0,0,0|1,0,0]=4 11323 B11R1.265 COc1cccc(c1C#N)C 7a_100000079363_200000210301 [1,2,0,0,0,0|1,0,0]=4 11324 B11R1.265 COc1cccc(c1CO)C 34a_200009874777_200000210301 [1,2,0,0,0,0|1,0,0]=4 11325 B11R1.265 COc1cccc(c1CO)C 7a_200009874777_200000210301 [1,2,0,0,0,0|1,0,0]=4 11326 B11R1.265 COc1cccc(c1N[13CH3])C 2230a_100000758225_200025704644 [1,2,0,0,0,0|1,0,0]=4 11327 B11R1.265 COc1cccc(c1N[13CH3])C 34a_100000758225_200025704644 [1,2,0,0,0,0|1,0,0]=4 11328 B11R1.265 COc1cccc(c1OC)C 34a_100011219253_200000210301 [1,2,0,0,0,0|1,0,0]=4 11329 B11R1.265 COc1cccc(c1OC)C 7a_100011219253_200000210301 [1,2,0,0,0,0|1,0,0]=4 11330 B11R1.265 COc1cccc(c1O[13CH3])C 34a_100011219253_200025704644 [1,2,0,0,0,0|1,0,0]=4 11331 B11R1.265 COc1cccc(c1O[13CH3])C 7a_100011219253_200025704644 [1,2,0,0,0,0|1,0,0]=4 11332 B11R1.265 COc1cccc(c1SC)C 34a_200000099257_200000210301 [1,2,0,0,0,0|1,0,0]=4 11333 B11R1.265 COc1cccc(c1SC)C 62a_100010191535_200000210301 [1,2,0,0,0,0|1,0,0]=4 11334 B11R1.265 COc1cccc(c1SC)C 62a_200000210301_100010191535 [1,2,0,0,0,0|1,0,0]=4 11335 B11R1.265 COc1cccc(c1SC)C 7a_200000099257_200000210301 [1,2,0,0,0,0|1,0,0]=4 11336 B11R1.265 COc1cccc(c1S[13CH3])C 62a_100010191535_200025704644 [1,2,0,0,0,0|1,0,0]=4 11337 B11R1.265 COc1cccc(c1S[13CH3])C 62a_200025704644_100010191535 [1,2,0,0,0,0|1,0,0]=4 11338 B11R1.265 CSc1c(cccc1C=O)C 62a_100012186367_200000210301 [1,2,0,0,0,0|0,0,0]=3 11339 B11R1.265 CSc1c(cccc1C=O)C 62a_200000210301_100012186367 [1,2,0,0,0,0|0,0,0]=3 11340 B11R1.265 CSc1c(cccc1C=O)F 62a_100011934749_200000210301 [1,2,0,0,0,0|1,0,0]=4 11341 B11R1.265 CSc1c(cccc1C=O)F 62a_200000210301_100011934749 [1,2,0,0,0,0|1,0,0]=4 11342 B11R1.265 CSc1c(cccc1C=O)O 62a_100009816417_200000210301 [1,2,0,0,0,0|1,0,0]=4 11343 B11R1.265 CSc1c(cccc1C=O)O 62a_200000210301_100009816417 [1,2,0,0,0,0|1,0,0]=4 11344 B11R1.265 CSc1c(cccc1O[13CH3])C 34a_200000099257_200025704644 [1,2,0,0,0,0|1,0,0]=4 11345 B11R1.265 CSc1c(cccc1O[13CH3])C 7a_200000099257_200025704644 [1,2,0,0,0,0|1,0,0]=4 11346 B11R1.265 CSc1cccc(c1C#N)C 62a_200000210301_100009819585 [1,2,0,0,0,0|1,0,0]=4 11347 B11R1.265 CSc1cccc(c1C=O)C 62a_100000041122_200000210301 [1,2,0,0,0,0|1,0,0]=4 11348 B11R1.265 CSc1cccc(c1C=O)C 62a_200000210301_100000041122 [1,2,0,0,0,0|1,0,0]=4 11349 B11R1.265 Cc1cccc(c1C#N)N[13CH3] 2230a_100000763283_200025704644 [1,2,0,0,0,0|1,0,0]=4 11350 B11R1.265 Cc1cccc(c1C#N)N[13CH3] 34a_100000763283_200025704644 [1,2,0,0,0,0|1,0,0]=4 11351 B11R1.265 Cc1cccc(c1C#N)N[13CH3] 7a_100000763283_200025704644 [1,2,0,0,0,0|1,0,0]=4 11352 B11R1.265 Cc1cccc(c1C#N)O[13CH3] 34a_100000079363_200025704644 [1,2,0,0,0,0|1,0,0]=4 11353 B11R1.265 Cc1cccc(c1C#N)O[13CH3] 7a_100000079363_200025704644 [1,2,0,0,0,0|1,0,0]=4 11354 B11R1.265 Cc1cccc(c1C#N)S[13CH3] 62a_200025704644_100009819585 [1,2,0,0,0,0|1,0,0]=4 11355 B11R1.265 Cc1cccc(c1C=O)S[13CH3] 62a_100000041122_200025704644 [1,2,0,0,0,0|1,0,0]=4 11356 B11R1.265 Cc1cccc(c1C=O)S[13CH3] 62a_200025704644_100000041122 [1,2,0,0,0,0|1,0,0]=4 11357 B11R1.265 Cc1cccc(c1CO)O[13CH3] 34a_200009874777_200025704644 [1,2,0,0,0,0|1,0,0]=4 11358 B11R1.265 Cc1cccc(c1CO)O[13CH3] 7a_200009874777_200025704644 [1,2,0,0,0,0|1,0,0]=4 11359 B11R1.265 Cc1cccc(c1S[13CH3])C=O 62a_100012186367_200025704644 [1,2,0,0,0,0|0,0,0]=3 11360 B11R1.265 Cc1cccc(c1S[13CH3])C=O 62a_200025704644_100012186367 [1,2,0,0,0,0|0,0,0]=3 11361 B11R1.265 N#Cc1c(cccc1C=O)O 271570a_203496583355_100000100183 [1,2,0,0,0,0|1,0,0]=4 11362 B11R1.265 [13CH3]Sc1c(cccc1C=O)F 62a_100011934749_200025704644 [1,2,0,0,0,0|1,0,0]=4 11363 B11R1.265 [13CH3]Sc1c(cccc1C=O)F 62a_200025704644_100011934749 [1,2,0,0,0,0|1,0,0]=4 11364 B11R1.265 [13CH3]Sc1c(cccc1C=O)O 62a_100009816417_200025704644 [1,2,0,0,0,0|1,0,0]=4 11365 B11R1.265 [13CH3]Sc1c(cccc1C=O)O 62a_200025704644_100009816417 [1,2,0,0,0,0|1,0,0]=4 11366 B11R1.267 C=Cc1cccc(c1Br)CO 271570a_100011290941_100010240205 [1,2,0,0,0,0|0,0,1]=4 11367 B11R1.267 C=Cc1cccc(c1C)C=O 271570a_100011290941_100012179384 [1,2,0,0,0,0|0,0,1]=4 11368 B11R1.267 C=Cc1cccc(c1C)CN 271570a_100011290941_100000724210 [1,2,0,0,0,0|0,0,1]=4 11369 B11R1.267 C=Cc1cccc(c1C)CO 271570a_100011290941_100000694458 [1,2,0,0,0,0|0,0,1]=4 11370 B11R1.267 C=Cc1cccc(c1C)OC 271570a_100011290941_100010002647 [1,2,0,0,0,0|0,0,1]=4 11371 B11R1.267 C=Cc1cccc(c1Cl)OC 271570a_100011290941_100010147677 [1,2,0,0,0,0|0,0,1]=4 11372 B11R1.267 C=Cc1cccc(c1F)C=O 271570a_100011290941_100000766533 [1,2,0,0,0,0|0,0,1]=4 11373 B11R1.267 C=Cc1cccc(c1F)CN 271570a_100011290941_100015189953 [1,2,0,0,0,0|0,0,1]=4 11374 B11R1.267 C=Cc1cccc(c1F)CO 271570a_100011290941_100011935076 [1,2,0,0,0,0|0,0,1]=4 11375 B11R1.267 C=Cc1cccc(c1F)OC 271570a_100011290941_100010185846 [1,2,0,0,0,0|0,0,1]=4 11376 B11R1.267 C=Cc1cccc(c1F)SC 62a_100010741937_200000210301 [1,2,0,0,0,0|0,0,1]=4 11377 B11R1.267 C=Cc1cccc(c1F)SC 62a_200000210301_100010741937 [1,2,0,0,0,0|0,0,1]=4 11378 B11R1.267 C=Cc1cccc(c1F)S[13CH3] 62a_100010741937_200025704644 [1,2,0,0,0,0|0,0,1]=4 11379 B11R1.267 C=Cc1cccc(c1F)S[13CH3] 62a_200025704644_100010741937 [1,2,0,0,0,0|0,0,1]=4 11380 B11R1.267 C=Cc1cccc(c1N)C=O 271570a_100011290941_100010144990 [1,2,0,0,0,0|0,0,1]=4 11381 B11R1.267 C=Cc1cccc(c1N)CO 271570a_100011290941_100012349457 [1,2,0,0,0,0|0,0,1]=4 11382 B11R1.267 C=Cc1cccc(c1N)NC 271570a_100011290941_100000695761 [1,2,0,0,0,0|0,0,1]=4 11383 B11R1.267 C=Cc1cccc(c1N)OC 271570a_100011290941_100000708083 [1,2,0,0,0,0|0,0,1]=4 11384 B11R1.267 C=Cc1cccc(c1O)C=O 271570a_100011290941_100000737635 [1,2,0,0,0,0|0,0,1]=4 11385 B11R1.267 C=Cc1cccc(c1O)CC 271570a_100011290941_200010001580 [1,2,0,0,0,0|0,0,1]=4 11386 B11R1.267 C=Cc1cccc(c1O)OC 271570a_100011290941_100000686866 [1,2,0,0,0,0|0,0,1]=4 11387 B11R1.267 CCc1cccc(c1O)CC 271570a_203496583355_100010212195 [1,2,0,0,0,0|0,0,1]=4 11388 B11R1.267 CCc1cccc(c1O)SC 62a_200000210301_200010001580 [1,2,0,0,0,0|0,0,1]=4 11389 B11R1.267 CCc1cccc(c1O)SC 62a_200010001580_200000210301 [1,2,0,0,0,0|0,0,1]=4 11390 B11R1.267 CCc1cccc(c1O)S[13CH3] 62a_200010001580_200025704644 [1,2,0,0,0,0|0,0,1]=4 11391 B11R1.267 CCc1cccc(c1O)S[13CH3] 62a_200025704644_200010001580 [1,2,0,0,0,0|0,0,1]=4 11392 B11R1.267 CNc1cccc(c1Br)OC 34a_100000703447_200000210301 [1,2,0,0,0,0|1,0,0]=4 11393 B11R1.267 CNc1cccc(c1C)CO 2230a_102495339961_200000210301 [1,2,0,0,0,0|1,0,0]=4 11394 B11R1.267 CNc1cccc(c1C)CO 34a_102495339961_200000210301 [1,2,0,0,0,0|1,0,0]=4 11395 B11R1.267 CNc1cccc(c1C)OC 34a_100011244893_200000210301 [1,2,0,0,0,0|1,0,0]=4 11396 B11R1.267 CNc1cccc(c1C)OC 7a_100011244893_200000210301 [1,2,0,0,0,0|1,0,0]=4 11397 B11R1.267 CNc1cccc(c1Cl)OC 34a_100000089720_200000210301 [1,2,0,0,0,0|1,0,0]=4 11398 B11R1.267 CNc1cccc(c1F)CO 34a_100012023829_200000210301 [1,2,0,0,0,0|1,0,0]=4 11399 B11R1.267 CNc1cccc(c1F)OC 34a_100000100910_200000210301 [1,2,0,0,0,0|1,0,0]=4 11400 B11R1.267 CNc1cccc(c1I)OC 34a_100010245509_200000210301 [1,2,0,0,0,0|1,0,0]=4 11401 B11R1.267 CNc1cccc(c1N)SC 62a_100000695761_200000210301 [1,2,0,0,0,0|1,0,0]=4 11402 B11R1.267 CNc1cccc(c1N)S[13CH3] 62a_100000695761_200025704644 [1,2,0,0,0,0|1,0,0]=4 11403 B11R1.267 CNc1cccc(c1O)OC 34a_100000123586_200000210301 [1,2,0,0,0,0|1,0,0]=4 11404 B11R1.267 COc1cccc(c1Br)N[13CH3] 34a_100000703447_200025704644 [1,2,0,0,0,0|1,0,0]=4 11405 B11R1.267 COc1cccc(c1Br)OC 34a_100010202623_200000210301 [1,2,0,0,0,0|1,0,0]=4 11406 B11R1.267 COc1cccc(c1Br)OC 7a_100010202623_200000210301 [1,2,0,0,0,0|1,0,0]=4 11407 B11R1.267 COc1cccc(c1Br)O[13CH3] 34a_100010202623_200025704644 [1,2,0,0,0,0|1,0,0]=4 11408 B11R1.267 COc1cccc(c1Br)O[13CH3] 7a_100010202623_200025704644 [1,2,0,0,0,0|1,0,0]=4 11409 B11R1.267 COc1cccc(c1Br)SC 62a_100010146559_200000210301 [1,2,0,0,0,0|1,0,0]=4 11410 B11R1.267 COc1cccc(c1Br)SC 62a_200000210301_100010146559 [1,2,0,0,0,0|1,0,0]=4 11411 B11R1.267 COc1cccc(c1Br)S[13CH3] 62a_100010146559_200025704644 [1,2,0,0,0,0|1,0,0]=4 11412 B11R1.267 COc1cccc(c1Br)S[13CH3] 62a_200025704644_100010146559 [1,2,0,0,0,0|1,0,0]=4 11413 B11R1.267 COc1cccc(c1C)CO 34a_200000084602_200000210301 [1,2,0,0,0,0|1,0,0]=4 11414 B11R1.267 COc1cccc(c1C)CO 7a_200000084602_200000210301 [1,2,0,0,0,0|1,0,0]=4 11415 B11R1.267 COc1cccc(c1C)N[13CH3] 34a_100011244893_200025704644 [1,2,0,0,0,0|1,0,0]=4 11416 B11R1.267 COc1cccc(c1C)N[13CH3] 7a_100011244893_200025704644 [1,2,0,0,0,0|1,0,0]=4 11417 B11R1.267 COc1cccc(c1C)SC 62a_100010002647_200000210301 [1,2,0,0,0,0|1,0,0]=4 11418 B11R1.267 COc1cccc(c1C)SC 62a_200000210301_100010002647 [1,2,0,0,0,0|1,0,0]=4 11419 B11R1.267 COc1cccc(c1C)S[13CH3] 62a_100010002647_200025704644 [1,2,0,0,0,0|1,0,0]=4 11420 B11R1.267 COc1cccc(c1C)S[13CH3] 62a_200025704644_100010002647 [1,2,0,0,0,0|1,0,0]=4 11421 B11R1.267 COc1cccc(c1Cl)N[13CH3] 34a_100000089720_200025704644 [1,2,0,0,0,0|1,0,0]=4 11422 B11R1.267 COc1cccc(c1Cl)OC 34a_100000087810_200000210301 [1,2,0,0,0,0|1,0,0]=4 11423 B11R1.267 COc1cccc(c1Cl)OC 7a_100000087810_200000210301 [1,2,0,0,0,0|1,0,0]=4 11424 B11R1.267 COc1cccc(c1Cl)O[13CH3] 34a_100000087810_200025704644 [1,2,0,0,0,0|1,0,0]=4 11425 B11R1.267 COc1cccc(c1Cl)O[13CH3] 7a_100000087810_200025704644 [1,2,0,0,0,0|1,0,0]=4 11426 B11R1.267 COc1cccc(c1Cl)SC 62a_100010147677_200000210301 [1,2,0,0,0,0|1,0,0]=4 11427 B11R1.267 COc1cccc(c1Cl)SC 62a_200000210301_100010147677 [1,2,0,0,0,0|1,0,0]=4 11428 B11R1.267 COc1cccc(c1Cl)S[13CH3] 62a_100010147677_200025704644 [1,2,0,0,0,0|1,0,0]=4 11429 B11R1.267 COc1cccc(c1Cl)S[13CH3] 62a_200025704644_100010147677 [1,2,0,0,0,0|1,0,0]=4 11430 B11R1.267 COc1cccc(c1F)CN 34a_100025773512_200000210301 [1,2,0,0,0,0|1,0,0]=4 11431 B11R1.267 COc1cccc(c1F)N[13CH3] 34a_100000100910_200025704644 [1,2,0,0,0,0|1,0,0]=4 11432 B11R1.267 COc1cccc(c1F)OC 34a_100000102366_200000210301 [1,2,0,0,0,0|1,0,0]=4 11433 B11R1.267 COc1cccc(c1F)OC 7a_100000102366_200000210301 [1,2,0,0,0,0|1,0,0]=4 11434 B11R1.267 COc1cccc(c1F)O[13CH3] 34a_100000102366_200025704644 [1,2,0,0,0,0|1,0,0]=4 11435 B11R1.267 COc1cccc(c1F)O[13CH3] 7a_100000102366_200025704644 [1,2,0,0,0,0|1,0,0]=4 11436 B11R1.267 COc1cccc(c1F)SC 62a_100010185846_200000210301 [1,2,0,0,0,0|1,0,0]=4 11437 B11R1.267 COc1cccc(c1F)SC 62a_200000210301_100010185846 [1,2,0,0,0,0|1,0,0]=4 11438 B11R1.267 COc1cccc(c1F)S[13CH3] 62a_100010185846_200025704644 [1,2,0,0,0,0|1,0,0]=4 11439 B11R1.267 COc1cccc(c1F)S[13CH3] 62a_200025704644_100010185846 [1,2,0,0,0,0|1,0,0]=4 11440 B11R1.267 COc1cccc(c1I)N[13CH3] 34a_100010245509_200025704644 [1,2,0,0,0,0|1,0,0]=4 11441 B11R1.267 COc1cccc(c1I)OC 34a_200010201982_200000210301 [1,2,0,0,0,0|1,0,0]=4 11442 B11R1.267 COc1cccc(c1I)OC 7a_200010201982_200000210301 [1,2,0,0,0,0|1,0,0]=4 11443 B11R1.267 COc1cccc(c1I)O[13CH3] 34a_200010201982_200025704644 [1,2,0,0,0,0|1,0,0]=4 11444 B11R1.267 COc1cccc(c1I)O[13CH3] 7a_200010201982_200025704644 [1,2,0,0,0,0|1,0,0]=4 11445 B11R1.267 COc1cccc(c1N)OC 34a_100012022766_200000210301 [1,2,0,0,0,0|1,0,0]=4 11446 B11R1.267 COc1cccc(c1N)OC 7a_100012022766_200000210301 [1,2,0,0,0,0|1,0,0]=4 11447 B11R1.267 COc1cccc(c1N)O[13CH3] 34a_100012022766_200025704644 [1,2,0,0,0,0|1,0,0]=4 11448 B11R1.267 COc1cccc(c1N)O[13CH3] 7a_100012022766_200025704644 [1,2,0,0,0,0|1,0,0]=4 11449 B11R1.267 COc1cccc(c1N)SC 62a_100000708083_200000210301 [1,2,0,0,0,0|1,0,0]=4 11450 B11R1.267 COc1cccc(c1N)S[13CH3] 62a_100000708083_200025704644 [1,2,0,0,0,0|1,0,0]=4 11451 B11R1.267 COc1cccc(c1O)CO 271570a_203496583355_100010236476 [1,2,0,0,0,0|1,0,0]=4 11452 B11R1.267 COc1cccc(c1O)N[13CH3] 34a_100000123586_200025704644 [1,2,0,0,0,0|1,0,0]=4 11453 B11R1.267 COc1cccc(c1O)OC 271570a_203496583355_100000050062 [1,2,0,0,0,0|1,0,0]=4 11454 B11R1.267 COc1cccc(c1O)SC 62a_200000210301_100000686866 [1,2,0,0,0,0|1,0,0]=4 11455 B11R1.267 COc1cccc(c1O)S[13CH3] 62a_200025704644_100000686866 [1,2,0,0,0,0|1,0,0]=4 11456 B11R1.267 CSc1cccc(c1Br)CO 62a_100010240205_200000210301 [1,2,0,0,0,0|1,0,0]=4 11457 B11R1.267 CSc1cccc(c1Br)CO 62a_200000210301_100010240205 [1,2,0,0,0,0|1,0,0]=4 11458 B11R1.267 CSc1cccc(c1C)C=O 62a_100012179384_200000210301 [1,2,0,0,0,0|0,0,0]=3 11459 B11R1.267 CSc1cccc(c1C)C=O 62a_200000210301_100012179384 [1,2,0,0,0,0|0,0,0]=3 11460 B11R1.267 CSc1cccc(c1C)CN 62a_100000724210_200000210301 [1,2,0,0,0,0|1,0,0]=4 11461 B11R1.267 CSc1cccc(c1C)CN 62a_200000210301_100000724210 [1,2,0,0,0,0|1,0,0]=4 11462 B11R1.267 CSc1cccc(c1C)CO 62a_100000694458_200000210301 [1,2,0,0,0,0|1,0,0]=4 11463 B11R1.267 CSc1cccc(c1C)CO 62a_200000210301_100000694458 [1,2,0,0,0,0|1,0,0]=4 11464 B11R1.267 CSc1cccc(c1F)C=O 62a_100000766533_200000210301 [1,2,0,0,0,0|0,0,0]=3 11465 B11R1.267 CSc1cccc(c1F)C=O 62a_200000210301_100000766533 [1,2,0,0,0,0|0,0,0]=3 11466 B11R1.267 CSc1cccc(c1F)CN 62a_100015189953_200000210301 [1,2,0,0,0,0|1,0,0]=4 11467 B11R1.267 CSc1cccc(c1F)CN 62a_200000210301_100015189953 [1,2,0,0,0,0|1,0,0]=4 11468 B11R1.267 CSc1cccc(c1F)CO 62a_100011935076_200000210301 [1,2,0,0,0,0|1,0,0]=4 11469 B11R1.267 CSc1cccc(c1F)CO 62a_200000210301_100011935076 [1,2,0,0,0,0|1,0,0]=4 11470 B11R1.267 CSc1cccc(c1N)C=O 62a_100010144990_200000210301 [1,2,0,0,0,0|0,0,0]=3 11471 B11R1.267 CSc1cccc(c1N)CO 62a_100012349457_200000210301 [1,2,0,0,0,0|1,0,0]=4 11472 B11R1.267 CSc1cccc(c1N)CO 62a_200000210301_100012349457 [1,2,0,0,0,0|1,0,0]=4 11473 B11R1.267 CSc1cccc(c1O)C=O 62a_200000210301_100010171435 [1,2,0,0,0,0|0,0,0]=3 11474 B11R1.267 CSc1ccnc(c1F)C=O 62a_100015713984_200000210301 [1,2,0,0,0,0|1,0,0]=4 11475 B11R1.267 CSc1ccnc(c1F)C=O 62a_200000210301_100015713984 [1,2,0,0,0,0|1,0,0]=4 11476 B11R1.267 CSc1cncc(c1C)C=O 62a_100010214934_200000210301 [1,2,0,0,0,0|1,0,0]=4 11477 B11R1.267 CSc1cncc(c1C)C=O 62a_200000210301_100010214934 [1,2,0,0,0,0|1,0,0]=4 11478 B11R1.267 CSc1cncc(c1N)C=O 62a_100010729279_200000210301 [1,2,0,0,0,0|1,0,0]=4 11479 B11R1.267 CSc1cncc(c1N)C=O 62a_200000210301_100010729279 [1,2,0,0,0,0|1,0,0]=4 11480 B11R1.267 CSc1cncc(c1O)C=O 62a_100010729654_200000210301 [1,2,0,0,0,0|1,0,0]=4 11481 B11R1.267 CSc1cncc(c1O)C=O 62a_200000210301_100010729654 [1,2,0,0,0,0|1,0,0]=4 11482 B11R1.267 CSc1nccc(c1C)C=O 62a_100000096011_200000210301 [1,2,0,0,0,0|1,0,0]=4 11483 B11R1.267 CSc1nccc(c1C)C=O 62a_200000210301_100000096011 [1,2,0,0,0,0|1,0,0]=4 11484 B11R1.267 CSc1nccc(c1F)C=O 62a_100000050688_200000210301 [1,2,0,0,0,0|1,0,0]=4 11485 B11R1.267 CSc1nccc(c1F)C=O 62a_200000210301_100000050688 [1,2,0,0,0,0|1,0,0]=4 11486 B11R1.267 Cc1c(cccc1N[13CH3])CO 2230a_102495339961_200025704644 [1,2,0,0,0,0|1,0,0]=4 11487 B11R1.267 Cc1c(cccc1N[13CH3])CO 34a_102495339961_200025704644 [1,2,0,0,0,0|1,0,0]=4 11488 B11R1.267 Cc1c(cccc1O[13CH3])CO 34a_200000084602_200025704644 [1,2,0,0,0,0|1,0,0]=4 11489 B11R1.267 Cc1c(cccc1O[13CH3])CO 7a_200000084602_200025704644 [1,2,0,0,0,0|1,0,0]=4 11490 B11R1.267 Cc1c(cccc1S[13CH3])C=O 62a_100012179384_200025704644 [1,2,0,0,0,0|0,0,0]=3 11491 B11R1.267 Cc1c(cccc1S[13CH3])C=O 62a_200025704644_100012179384 [1,2,0,0,0,0|0,0,0]=3 11492 B11R1.267 Cc1c(cccc1S[13CH3])CN 62a_100000724210_200025704644 [1,2,0,0,0,0|1,0,0]=4 11493 B11R1.267 Cc1c(cccc1S[13CH3])CN 62a_200025704644_100000724210 [1,2,0,0,0,0|1,0,0]=4 11494 B11R1.267 Cc1c(cccc1S[13CH3])CO 62a_100000694458_200025704644 [1,2,0,0,0,0|1,0,0]=4 11495 B11R1.267 Cc1c(cccc1S[13CH3])CO 62a_200025704644_100000694458 [1,2,0,0,0,0|1,0,0]=4 11496 B11R1.267 Cc1c(ccnc1S[13CH3])C=O 62a_100000096011_200025704644 [1,2,0,0,0,0|1,0,0]=4 11497 B11R1.267 Cc1c(ccnc1S[13CH3])C=O 62a_200025704644_100000096011 [1,2,0,0,0,0|1,0,0]=4 11498 B11R1.267 Cc1c(cncc1S[13CH3])C=O 62a_100010214934_200025704644 [1,2,0,0,0,0|1,0,0]=4 11499 B11R1.267 Cc1c(cncc1S[13CH3])C=O 62a_200025704644_100010214934 [1,2,0,0,0,0|1,0,0]=4 11500 B11R1.267 N#Cc1cccc(c1O)C=O 271570a_203496583355_100010133059 [1,2,0,0,0,0|0,0,1]=4 11501 B11R1.267 [13CH3]Nc1cccc(c1F)CO 34a_100012023829_200025704644 [1,2,0,0,0,0|1,0,0]=4 11502 B11R1.267 [13CH3]Oc1cccc(c1F)CN 34a_100025773512_200025704644 [1,2,0,0,0,0|1,0,0]=4 11503 B11R1.267 [13CH3]Sc1cccc(c1Br)CO 62a_100010240205_200025704644 [1,2,0,0,0,0|1,0,0]=4 11504 B11R1.267 [13CH3]Sc1cccc(c1Br)CO 62a_200025704644_100010240205 [1,2,0,0,0,0|1,0,0]=4 11505 B11R1.267 [13CH3]Sc1cccc(c1F)C=O 62a_100000766533_200025704644 [1,2,0,0,0,0|0,0,0]=3 11506 B11R1.267 [13CH3]Sc1cccc(c1F)C=O 62a_200025704644_100000766533 [1,2,0,0,0,0|0,0,0]=3 11507 B11R1.267 [13CH3]Sc1cccc(c1F)CN 62a_100015189953_200025704644 [1,2,0,0,0,0|1,0,0]=4 11508 B11R1.267 [13CH3]Sc1cccc(c1F)CN 62a_200025704644_100015189953 [1,2,0,0,0,0|1,0,0]=4 11509 B11R1.267 [13CH3]Sc1cccc(c1F)CO 62a_100011935076_200025704644 [1,2,0,0,0,0|1,0,0]=4 11510 B11R1.267 [13CH3]Sc1cccc(c1F)CO 62a_200025704644_100011935076 [1,2,0,0,0,0|1,0,0]=4 11511 B11R1.267 [13CH3]Sc1cccc(c1N)C=O 62a_100010144990_200025704644 [1,2,0,0,0,0|0,0,0]=3 11512 B11R1.267 [13CH3]Sc1cccc(c1N)CO 62a_100012349457_200025704644 [1,2,0,0,0,0|1,0,0]=4 11513 B11R1.267 [13CH3]Sc1cccc(c1N)CO 62a_200025704644_100012349457 [1,2,0,0,0,0|1,0,0]=4 11514 B11R1.267 [13CH3]Sc1cccc(c1O)C=O 62a_200025704644_100010171435 [1,2,0,0,0,0|0,0,0]=3 11515 B11R1.267 [13CH3]Sc1ccnc(c1F)C=O 62a_100015713984_200025704644 [1,2,0,0,0,0|1,0,0]=4 11516 B11R1.267 [13CH3]Sc1ccnc(c1F)C=O 62a_200025704644_100015713984 [1,2,0,0,0,0|1,0,0]=4 11517 B11R1.267 [13CH3]Sc1cncc(c1N)C=O 62a_100010729279_200025704644 [1,2,0,0,0,0|1,0,0]=4 11518 B11R1.267 [13CH3]Sc1cncc(c1N)C=O 62a_200025704644_100010729279 [1,2,0,0,0,0|1,0,0]=4 11519 B11R1.267 [13CH3]Sc1cncc(c1O)C=O 62a_100010729654_200025704644 [1,2,0,0,0,0|1,0,0]=4 11520 B11R1.267 [13CH3]Sc1cncc(c1O)C=O 62a_200025704644_100010729654 [1,2,0,0,0,0|1,0,0]=4 11521 B11R1.267 [13CH3]Sc1nccc(c1F)C=O 62a_100000050688_200025704644 [1,2,0,0,0,0|1,0,0]=4 11522 B11R1.267 [13CH3]Sc1nccc(c1F)C=O 62a_200025704644_100000050688 [1,2,0,0,0,0|1,0,0]=4 11523 B11R1.278 C=Cc1ccc(c(c1C)C)Br 271570a_100011290941_200010185626 [1,2,0,0,0,0|0,0,1]=4 11524 B11R1.278 C=Cc1ccc(c(c1C)C)F 271570a_100011290941_100009816033 [1,2,0,0,0,0|0,0,1]=4 11525 B11R1.278 C=Cc1ccc(c(c1C)C)N 271570a_100011290941_100009816967 [1,2,0,0,0,0|0,0,1]=4 11526 B11R1.278 C=Cc1ccc(c(c1C)C)O 271570a_100011290941_100012353674 [1,2,0,0,0,0|0,0,1]=4 11527 B11R1.278 C=Cc1ccc(c(c1Cl)C)Br 271570a_100011290941_100055076181 [1,2,0,0,0,0|0,0,1]=4 11528 B11R1.278 C=Cc1ccc(c(c1Cl)C)Cl 271570a_100011290941_100010730154 [1,2,0,0,0,0|0,0,1]=4 11529 B11R1.278 C=Cc1ccc(c(c1F)C)C 271570a_100011290941_200015555822 [1,2,0,0,0,0|0,0,1]=4 11530 B11R1.278 C=Cc1ccc(c(c1F)C)F 271570a_100011290941_100009815987 [1,2,0,0,0,0|0,0,1]=4 11531 B11R1.278 C=Cc1ccc(c(c1F)C)N 271570a_100011290941_100010208198 [1,2,0,0,0,0|0,0,1]=4 11532 B11R1.278 C=Cc1ccc(c(c1F)C)O 271570a_100011290941_100010390934 [1,2,0,0,0,0|0,0,1]=4 11533 B11R1.278 C=Cc1ccc(c(c1N)C)F 271570a_100011290941_100011009917 [1,2,0,0,0,0|0,0,1]=4 11534 B11R1.278 C=Cc1ccc(c(c1O)C)F 271570a_100011290941_200010391124 [1,2,0,0,0,0|0,0,1]=4 11535 B11R1.278 CNc1ccc(c(c1C)C)Br 2230a_100009816967_200000210301 [1,2,0,0,0,0|1,0,0]=4 11536 B11R1.278 CNc1ccc(c(c1C)C)Br 34a_100009816967_200000210301 [1,2,0,0,0,0|1,0,0]=4 11537 B11R1.278 CNc1ccc(c(c1C)C)Br 7a_100009816967_200000210301 [1,2,0,0,0,0|1,0,0]=4 11538 B11R1.278 CNc1ccc(c(c1C)C)C 2230a_100000116900_200000210301 [1,2,0,0,0,0|1,0,0]=4 11539 B11R1.278 CNc1ccc(c(c1C)C)C 34a_100000116900_200000210301 [1,2,0,0,0,0|1,0,0]=4 11540 B11R1.278 CNc1ccc(c(c1C)C)C 7a_100000116900_200000210301 [1,2,0,0,0,0|1,0,0]=4 11541 B11R1.278 CNc1ccc(c(c1C)C)F 2230a_100000062172_200000210301 [1,2,0,0,0,0|1,0,0]=4 11542 B11R1.278 CNc1ccc(c(c1C)C)F 34a_100000062172_200000210301 [1,2,0,0,0,0|1,0,0]=4 11543 B11R1.278 CNc1ccc(c(c1C)C)F 7a_100000062172_200000210301 [1,2,0,0,0,0|1,0,0]=4 11544 B11R1.278 CNc1ccc(c(c1C)C)O 34a_200011216674_200000210301 [1,2,0,0,0,0|1,0,0]=4 11545 B11R1.278 CNc1ccc(c(c1C)C)O 7a_200011216674_200000210301 [1,2,0,0,0,0|1,0,0]=4 11546 B11R1.278 CNc1ccc(c(c1Cl)C)Cl 34a_100011935240_200000210301 [1,2,0,0,0,0|1,0,0]=4 11547 B11R1.278 CNc1ccc(c(c1Cl)C)Cl 7a_100011935240_200000210301 [1,2,0,0,0,0|1,0,0]=4 11548 B11R1.278 CNc1ccc(c(c1Cl)C)F 2230a_100009863382_200000210301 [1,2,0,0,0,0|1,0,0]=4 11549 B11R1.278 CNc1ccc(c(c1Cl)C)F 34a_100009863382_200000210301 [1,2,0,0,0,0|1,0,0]=4 11550 B11R1.278 CNc1ccc(c(c1Cl)C)F 7a_100009863382_200000210301 [1,2,0,0,0,0|1,0,0]=4 11551 B11R1.278 CNc1ccc(c(c1F)C)Br 2230a_100000722916_200000210301 [1,2,0,0,0,0|1,0,0]=4 11552 B11R1.278 CNc1ccc(c(c1F)C)Br 34a_100000722916_200000210301 [1,2,0,0,0,0|1,0,0]=4 11553 B11R1.278 CNc1ccc(c(c1F)C)Br 7a_100000722916_200000210301 [1,2,0,0,0,0|1,0,0]=4 11554 B11R1.278 CNc1ccc(c(c1F)C)F 2230a_102495366501_200000210301 [1,2,0,0,0,0|1,0,0]=4 11555 B11R1.278 CNc1ccc(c(c1F)C)F 34a_102495366501_200000210301 [1,2,0,0,0,0|1,0,0]=4 11556 B11R1.278 CNc1ccc(c(c1F)C)F 7a_102495366501_200000210301 [1,2,0,0,0,0|1,0,0]=4 11557 B11R1.278 CNc1ccc(c(c1F)C)O 34a_200000126710_200000210301 [1,2,0,0,0,0|1,0,0]=4 11558 B11R1.278 CNc1ccc(c(c1F)C)O 7a_200000126710_200000210301 [1,2,0,0,0,0|1,0,0]=4 11559 B11R1.278 COc1ccc(c(c1C)C)Br 34a_100012353674_200000210301 [1,2,0,0,0,0|1,0,0]=4 11560 B11R1.278 COc1ccc(c(c1C)C)Br 7a_100012353674_200000210301 [1,2,0,0,0,0|1,0,0]=4 11561 B11R1.278 COc1ccc(c(c1C)C)F 34a_100009847123_200000210301 [1,2,0,0,0,0|1,0,0]=4 11562 B11R1.278 COc1ccc(c(c1C)C)F 7a_100009847123_200000210301 [1,2,0,0,0,0|1,0,0]=4 11563 B11R1.278 COc1ccc(c(c1C)C)I 34a_100011356951_200000210301 [1,2,0,0,0,0|1,0,0]=4 11564 B11R1.278 COc1ccc(c(c1C)C)I 7a_100011356951_200000210301 [1,2,0,0,0,0|1,0,0]=4 11565 B11R1.278 COc1ccc(c(c1C)C)N 34a_200011216674_200000210301 [1,2,0,0,0,0|1,0,0]=4 11566 B11R1.278 COc1ccc(c(c1C)C)N 7a_200011216674_200000210301 [1,2,0,0,0,0|1,0,0]=4 11567 B11R1.278 COc1ccc(c(c1C)C)O 271570a_203496583355_100000049725 [1,2,0,0,0,0|1,0,0]=4 11568 B11R1.278 COc1ccc(c(c1Cl)C)Br 34a_100021574527_200000210301 [1,2,0,0,0,0|1,0,0]=4 11569 B11R1.278 COc1ccc(c(c1Cl)C)Br 7a_100021574527_200000210301 [1,2,0,0,0,0|1,0,0]=4 11570 B11R1.278 COc1ccc(c(c1N)C)Br 34a_100013039247_200000210301 [1,2,0,0,0,0|1,0,0]=4 11571 B11R1.278 COc1ccc(c(c1N)C)Br 7a_100013039247_200000210301 [1,2,0,0,0,0|1,0,0]=4 11572 B11R1.278 CSc1ccc(c(c1C)C)Br 62a_200000210301_200010185626 [1,2,0,0,0,0|1,0,0]=4 11573 B11R1.278 CSc1ccc(c(c1C)C)Br 62a_200010185626_200000210301 [1,2,0,0,0,0|1,0,0]=4 11574 B11R1.278 CSc1ccc(c(c1C)C)F 62a_100009816033_200000210301 [1,2,0,0,0,0|1,0,0]=4 11575 B11R1.278 CSc1ccc(c(c1C)C)F 62a_200000210301_100009816033 [1,2,0,0,0,0|1,0,0]=4 11576 B11R1.278 CSc1ccc(c(c1C)C)N 62a_100009816967_200000210301 [1,2,0,0,0,0|1,0,0]=4 11577 B11R1.278 CSc1ccc(c(c1C)C)N 62a_200000210301_100009816967 [1,2,0,0,0,0|1,0,0]=4 11578 B11R1.278 CSc1ccc(c(c1C)C)O 62a_100012353674_200000210301 [1,2,0,0,0,0|1,0,0]=4 11579 B11R1.278 CSc1ccc(c(c1C)C)O 62a_200000210301_100012353674 [1,2,0,0,0,0|1,0,0]=4 11580 B11R1.278 CSc1ccc(c(c1Cl)C)Br 62a_100055076181_200000210301 [1,2,0,0,0,0|1,0,0]=4 11581 B11R1.278 CSc1ccc(c(c1Cl)C)Br 62a_200000210301_100055076181 [1,2,0,0,0,0|1,0,0]=4 11582 B11R1.278 CSc1ccc(c(c1Cl)C)Cl 62a_100010730154_200000210301 [1,2,0,0,0,0|1,0,0]=4 11583 B11R1.278 CSc1ccc(c(c1Cl)C)Cl 62a_200000210301_100010730154 [1,2,0,0,0,0|1,0,0]=4 11584 B11R1.278 CSc1ccc(c(c1F)C)C 62a_200000210301_200015555822 [1,2,0,0,0,0|1,0,0]=4 11585 B11R1.278 CSc1ccc(c(c1F)C)C 62a_200015555822_200000210301 [1,2,0,0,0,0|1,0,0]=4 11586 B11R1.278 CSc1ccc(c(c1F)C)F 62a_100009815987_200000210301 [1,2,0,0,0,0|1,0,0]=4 11587 B11R1.278 CSc1ccc(c(c1F)C)F 62a_200000210301_100009815987 [1,2,0,0,0,0|1,0,0]=4 11588 B11R1.278 CSc1ccc(c(c1F)C)N 62a_100010208198_200000210301 [1,2,0,0,0,0|1,0,0]=4 11589 B11R1.278 CSc1ccc(c(c1F)C)N 62a_200000210301_100010208198 [1,2,0,0,0,0|1,0,0]=4 11590 B11R1.278 CSc1ccc(c(c1F)C)O 271570a_203496583355_202125771832 [1,2,0,0,0,0|1,0,0]=4 11591 B11R1.278 CSc1ccc(c(c1F)C)O 62a_100010390934_200000210301 [1,2,0,0,0,0|1,0,0]=4 11592 B11R1.278 CSc1ccc(c(c1F)C)O 62a_200000210301_100010390934 [1,2,0,0,0,0|1,0,0]=4 11593 B11R1.278 CSc1ccc(c(c1N)C)F 62a_100011009917_200000210301 [1,2,0,0,0,0|1,0,0]=4 11594 B11R1.278 CSc1ccc(c(c1N)C)F 62a_200000210301_100011009917 [1,2,0,0,0,0|1,0,0]=4 11595 B11R1.278 CSc1ccc(c(c1O)C)F 62a_200000210301_200010391124 [1,2,0,0,0,0|1,0,0]=4 11596 B11R1.278 CSc1ccc(c(c1O)C)F 62a_200010391124_200000210301 [1,2,0,0,0,0|1,0,0]=4 11597 B11R1.278 Cc1c(ccc(c1C)N[13CH3])Br 2230a_100009816967_200025704644 [1,2,0,0,0,0|1,0,0]=4 11598 B11R1.278 Cc1c(ccc(c1C)N[13CH3])Br 34a_100009816967_200025704644 [1,2,0,0,0,0|1,0,0]=4 11599 B11R1.278 Cc1c(ccc(c1C)N[13CH3])Br 7a_100009816967_200025704644 [1,2,0,0,0,0|1,0,0]=4 11600 B11R1.278 Cc1c(ccc(c1C)N[13CH3])F 2230a_100000062172_200025704644 [1,2,0,0,0,0|1,0,0]=4 11601 B11R1.278 Cc1c(ccc(c1C)N[13CH3])F 34a_100000062172_200025704644 [1,2,0,0,0,0|1,0,0]=4 11602 B11R1.278 Cc1c(ccc(c1C)N[13CH3])F 7a_100000062172_200025704644 [1,2,0,0,0,0|1,0,0]=4 11603 B11R1.278 Cc1c(ccc(c1C)N[13CH3])O 34a_200011216674_200025704644 [1,2,0,0,0,0|1,0,0]=4 11604 B11R1.278 Cc1c(ccc(c1C)N[13CH3])O 7a_200011216674_200025704644 [1,2,0,0,0,0|1,0,0]=4 11605 B11R1.278 Cc1c(ccc(c1C)O[13CH3])Br 34a_100012353674_200025704644 [1,2,0,0,0,0|1,0,0]=4 11606 B11R1.278 Cc1c(ccc(c1C)O[13CH3])Br 7a_100012353674_200025704644 [1,2,0,0,0,0|1,0,0]=4 11607 B11R1.278 Cc1c(ccc(c1C)O[13CH3])F 34a_100009847123_200025704644 [1,2,0,0,0,0|1,0,0]=4 11608 B11R1.278 Cc1c(ccc(c1C)O[13CH3])F 7a_100009847123_200025704644 [1,2,0,0,0,0|1,0,0]=4 11609 B11R1.278 Cc1c(ccc(c1C)O[13CH3])I 34a_100011356951_200025704644 [1,2,0,0,0,0|1,0,0]=4 11610 B11R1.278 Cc1c(ccc(c1C)O[13CH3])I 7a_100011356951_200025704644 [1,2,0,0,0,0|1,0,0]=4 11611 B11R1.278 Cc1c(ccc(c1C)O[13CH3])N 34a_200011216674_200025704644 [1,2,0,0,0,0|1,0,0]=4 11612 B11R1.278 Cc1c(ccc(c1C)O[13CH3])N 7a_200011216674_200025704644 [1,2,0,0,0,0|1,0,0]=4 11613 B11R1.278 Cc1c(ccc(c1C)S[13CH3])Br 62a_200010185626_200025704644 [1,2,0,0,0,0|1,0,0]=4 11614 B11R1.278 Cc1c(ccc(c1C)S[13CH3])Br 62a_200025704644_200010185626 [1,2,0,0,0,0|1,0,0]=4 11615 B11R1.278 Cc1c(ccc(c1C)S[13CH3])F 62a_100009816033_200025704644 [1,2,0,0,0,0|1,0,0]=4 11616 B11R1.278 Cc1c(ccc(c1C)S[13CH3])F 62a_200025704644_100009816033 [1,2,0,0,0,0|1,0,0]=4 11617 B11R1.278 Cc1c(ccc(c1C)S[13CH3])N 62a_100009816967_200025704644 [1,2,0,0,0,0|1,0,0]=4 11618 B11R1.278 Cc1c(ccc(c1C)S[13CH3])N 62a_200025704644_100009816967 [1,2,0,0,0,0|1,0,0]=4 11619 B11R1.278 Cc1c(ccc(c1C)S[13CH3])O 62a_100012353674_200025704644 [1,2,0,0,0,0|1,0,0]=4 11620 B11R1.278 Cc1c(ccc(c1C)S[13CH3])O 62a_200025704644_100012353674 [1,2,0,0,0,0|1,0,0]=4 11621 B11R1.278 Cc1c(ccc(c1Cl)N[13CH3])Cl 34a_100011935240_200025704644 [1,2,0,0,0,0|1,0,0]=4 11622 B11R1.278 Cc1c(ccc(c1Cl)N[13CH3])Cl 7a_100011935240_200025704644 [1,2,0,0,0,0|1,0,0]=4 11623 B11R1.278 Cc1c(ccc(c1Cl)N[13CH3])F 2230a_100009863382_200025704644 [1,2,0,0,0,0|1,0,0]=4 11624 B11R1.278 Cc1c(ccc(c1Cl)N[13CH3])F 34a_100009863382_200025704644 [1,2,0,0,0,0|1,0,0]=4 11625 B11R1.278 Cc1c(ccc(c1Cl)N[13CH3])F 7a_100009863382_200025704644 [1,2,0,0,0,0|1,0,0]=4 11626 B11R1.278 Cc1c(ccc(c1Cl)O[13CH3])Br 34a_100021574527_200025704644 [1,2,0,0,0,0|1,0,0]=4 11627 B11R1.278 Cc1c(ccc(c1Cl)O[13CH3])Br 7a_100021574527_200025704644 [1,2,0,0,0,0|1,0,0]=4 11628 B11R1.278 Cc1c(ccc(c1Cl)S[13CH3])Br 62a_100055076181_200025704644 [1,2,0,0,0,0|1,0,0]=4 11629 B11R1.278 Cc1c(ccc(c1Cl)S[13CH3])Br 62a_200025704644_100055076181 [1,2,0,0,0,0|1,0,0]=4 11630 B11R1.278 Cc1c(ccc(c1Cl)S[13CH3])Cl 62a_100010730154_200025704644 [1,2,0,0,0,0|1,0,0]=4 11631 B11R1.278 Cc1c(ccc(c1Cl)S[13CH3])Cl 62a_200025704644_100010730154 [1,2,0,0,0,0|1,0,0]=4 11632 B11R1.278 Cc1c(ccc(c1F)C=O)O 271570a_203496583355_100015546853 [1,2,0,0,0,0|0,0,0]=3 11633 B11R1.278 Cc1c(ccc(c1F)N[13CH3])Br 2230a_100000722916_200025704644 [1,2,0,0,0,0|1,0,0]=4 11634 B11R1.278 Cc1c(ccc(c1F)N[13CH3])Br 34a_100000722916_200025704644 [1,2,0,0,0,0|1,0,0]=4 11635 B11R1.278 Cc1c(ccc(c1F)N[13CH3])Br 7a_100000722916_200025704644 [1,2,0,0,0,0|1,0,0]=4 11636 B11R1.278 Cc1c(ccc(c1F)N[13CH3])F 2230a_102495366501_200025704644 [1,2,0,0,0,0|1,0,0]=4 11637 B11R1.278 Cc1c(ccc(c1F)N[13CH3])F 34a_102495366501_200025704644 [1,2,0,0,0,0|1,0,0]=4 11638 B11R1.278 Cc1c(ccc(c1F)N[13CH3])F 7a_102495366501_200025704644 [1,2,0,0,0,0|1,0,0]=4 11639 B11R1.278 Cc1c(ccc(c1F)N[13CH3])O 34a_200000126710_200025704644 [1,2,0,0,0,0|1,0,0]=4 11640 B11R1.278 Cc1c(ccc(c1F)N[13CH3])O 7a_200000126710_200025704644 [1,2,0,0,0,0|1,0,0]=4 11641 B11R1.278 Cc1c(ccc(c1F)S[13CH3])F 62a_100009815987_200025704644 [1,2,0,0,0,0|1,0,0]=4 11642 B11R1.278 Cc1c(ccc(c1F)S[13CH3])F 62a_200025704644_100009815987 [1,2,0,0,0,0|1,0,0]=4 11643 B11R1.278 Cc1c(ccc(c1F)S[13CH3])N 62a_100010208198_200025704644 [1,2,0,0,0,0|1,0,0]=4 11644 B11R1.278 Cc1c(ccc(c1F)S[13CH3])N 62a_200025704644_100010208198 [1,2,0,0,0,0|1,0,0]=4 11645 B11R1.278 Cc1c(ccc(c1F)S[13CH3])O 62a_100010390934_200025704644 [1,2,0,0,0,0|1,0,0]=4 11646 B11R1.278 Cc1c(ccc(c1F)S[13CH3])O 62a_200025704644_100010390934 [1,2,0,0,0,0|1,0,0]=4 11647 B11R1.278 Cc1c(ccc(c1N)O[13CH3])Br 34a_100013039247_200025704644 [1,2,0,0,0,0|1,0,0]=4 11648 B11R1.278 Cc1c(ccc(c1N)O[13CH3])Br 7a_100013039247_200025704644 [1,2,0,0,0,0|1,0,0]=4 11649 B11R1.278 Cc1c(ccc(c1N)S[13CH3])F 62a_100011009917_200025704644 [1,2,0,0,0,0|1,0,0]=4 11650 B11R1.278 Cc1c(ccc(c1N)S[13CH3])F 62a_200025704644_100011009917 [1,2,0,0,0,0|1,0,0]=4 11651 B11R1.278 Cc1c(ccc(c1O)C=O)F 271570a_203496583355_100009872231 [1,2,0,0,0,0|0,0,0]=3 11652 B11R1.278 Cc1c(ccc(c1O)S[13CH3])F 62a_200010391124_200025704644 [1,2,0,0,0,0|1,0,0]=4 11653 B11R1.278 Cc1c(ccc(c1O)S[13CH3])F 62a_200025704644_200010391124 [1,2,0,0,0,0|1,0,0]=4 11654 B11R1.278 Cc1ccc(c(c1C)C)N[13CH3] 2230a_100000116900_200025704644 [1,2,0,0,0,0|1,0,0]=4 11655 B11R1.278 Cc1ccc(c(c1C)C)N[13CH3] 34a_100000116900_200025704644 [1,2,0,0,0,0|1,0,0]=4 11656 B11R1.278 Cc1ccc(c(c1C)C)N[13CH3] 7a_100000116900_200025704644 [1,2,0,0,0,0|1,0,0]=4 11657 B11R1.278 Cc1ccc(c(c1C)F)S[13CH3] 62a_200015555822_200025704644 [1,2,0,0,0,0|1,0,0]=4 11658 B11R1.278 Cc1ccc(c(c1C)F)S[13CH3] 62a_200025704644_200015555822 [1,2,0,0,0,0|1,0,0]=4 11659 B11R1.278 O=Cc1ccc(c(c1F)F)O 271570a_203496583355_100010209662 [1,2,0,0,0,0|1,0,0]=4 11660 B11R1.278 O=Cc1ccc(c(c1F)O)F 271570a_203496583355_100000050342 [1,2,0,0,0,0|1,0,0]=4 11661 B11R1.278 O=Cc1ccc(c(c1O)F)F 271570a_203496583355_100015087033 [1,2,0,0,0,0|1,0,0]=4 11662 B11R1.278 O=Cc1ccc(c(c1O)F)O 271570a_203496583355_100010762540 [1,2,0,0,0,0|1,0,0]=4 11663 B11R1.9 C=Cc1cc(cc(c1)C#N)C 271570a_100011290941_100011998626 [1,2,0,0,0,0|0,0,1]=4 11664 B11R1.9 C=Cc1cc(cc(c1)C=O)Br 271570a_100011290941_100010185649 [1,2,0,0,0,0|0,0,1]=4 11665 B11R1.9 C=Cc1cc(cc(c1)C=O)C 271570a_100011290941_100000686105 [1,2,0,0,0,0|0,0,0]=3 11666 B11R1.9 C=Cc1cc(cc(c1)C=O)F 271570a_100011290941_100011794424 [1,2,0,0,0,0|0,0,1]=4 11667 B11R1.9 C=Cc1cc(cc(c1)C=O)O 271570a_100011290941_100010176088 [1,2,0,0,0,0|0,0,1]=4 11668 B11R1.9 C=Cc1cc(cc(c1)CC)N 271570a_100011290941_100010074814 [1,2,0,0,0,0|0,0,1]=4 11669 B11R1.9 C=Cc1cc(cc(c1)CN)F 271570a_100011290941_100020611034 [1,2,0,0,0,0|0,0,1]=4 11670 B11R1.9 C=Cc1cc(cc(c1)CO)Br 271570a_100011290941_100009814756 [1,2,0,0,0,0|0,0,1]=4 11671 B11R1.9 C=Cc1cc(cc(c1)CO)C 271570a_100011290941_100000720511 [1,2,0,0,0,0|0,0,1]=4 11672 B11R1.9 C=Cc1cc(cc(c1)CO)F 271570a_100011290941_100000766897 [1,2,0,0,0,0|0,0,1]=4 11673 B11R1.9 C=Cc1cc(cc(c1)NC)F 271570a_100011290941_106741647397 [1,2,0,0,0,0|0,0,1]=4 11674 B11R1.9 C=Cc1cc(cc(c1)OC)Br 271570a_100011290941_100010141301 [1,2,0,0,0,0|0,0,1]=4 11675 B11R1.9 C=Cc1cc(cc(c1)OC)C 271570a_100011290941_100010187550 [1,2,0,0,0,0|0,0,1]=4 11676 B11R1.9 C=Cc1cc(cc(c1)OC)Cl 271570a_100011290941_100010147680 [1,2,0,0,0,0|0,0,1]=4 11677 B11R1.9 C=Cc1cc(cc(c1)OC)F 271570a_100011290941_100011934182 [1,2,0,0,0,0|0,0,1]=4 11678 B11R1.9 C=Cc1cc(cc(c1)OC)N 271570a_100011290941_100000750983 [1,2,0,0,0,0|0,0,1]=4 11679 B11R1.9 C=Cc1cc(cc(c1)OC)O 271570a_100011290941_100010068927 [1,2,0,0,0,0|0,0,1]=4 11680 B11R1.9 C=Cc1cc(cc(c1)SC)C 271570a_100011290941_200010709730 [1,2,0,0,0,0|0,0,1]=4 11681 B11R1.9 C=Cc1cc(cc(c1)SC)F 271570a_100011290941_200010245467 [1,2,0,0,0,0|0,0,1]=4 11682 B11R1.9 C=Cc1cc(nc(c1)C=O)C 271570a_100011290941_100009814795 [1,2,0,0,0,0|1,0,0]=4 11683 B11R1.9 CCc1cc(cc(c1)CC)O 271570a_203496583355_100010187588 [1,2,0,0,0,0|0,0,1]=4 11684 B11R1.9 CCc1cc(cc(c1)NC)Br 2230a_100010074814_200000210301 [1,2,0,0,0,0|0,0,1]=4 11685 B11R1.9 CCc1cc(cc(c1)NC)Br 34a_100010074814_200000210301 [1,2,0,0,0,0|0,0,1]=4 11686 B11R1.9 CCc1cc(cc(c1)NC)Br 7a_100010074814_200000210301 [1,2,0,0,0,0|0,0,1]=4 11687 B11R1.9 CCc1cc(cc(c1)NC)C 2230a_100012022893_200000210301 [1,2,0,0,0,0|0,0,1]=4 11688 B11R1.9 CCc1cc(cc(c1)NC)C 34a_100012022893_200000210301 [1,2,0,0,0,0|0,0,1]=4 11689 B11R1.9 CCc1cc(cc(c1)NC)C 7a_100012022893_200000210301 [1,2,0,0,0,0|0,0,1]=4 11690 B11R1.9 CCc1cc(cc(c1)N[13CH3])Br 2230a_100010074814_200025704644 [1,2,0,0,0,0|0,0,1]=4 11691 B11R1.9 CCc1cc(cc(c1)N[13CH3])Br 34a_100010074814_200025704644 [1,2,0,0,0,0|0,0,1]=4 11692 B11R1.9 CCc1cc(cc(c1)N[13CH3])Br 7a_100010074814_200025704644 [1,2,0,0,0,0|0,0,1]=4 11693 B11R1.9 CCc1cc(cc(c1)N[13CH3])C 2230a_100012022893_200025704644 [1,2,0,0,0,0|0,0,1]=4 11694 B11R1.9 CCc1cc(cc(c1)N[13CH3])C 34a_100012022893_200025704644 [1,2,0,0,0,0|0,0,1]=4 11695 B11R1.9 CCc1cc(cc(c1)N[13CH3])C 7a_100012022893_200025704644 [1,2,0,0,0,0|0,0,1]=4 11696 B11R1.9 CCc1cc(cc(c1)SC)N 62a_100010074814_200000210301 [1,2,0,0,0,0|0,0,1]=4 11697 B11R1.9 CCc1cc(cc(c1)SC)N 62a_200000210301_100010074814 [1,2,0,0,0,0|0,0,1]=4 11698 B11R1.9 CCc1cc(cc(c1)S[13CH3])N 62a_100010074814_200025704644 [1,2,0,0,0,0|0,0,1]=4 11699 B11R1.9 CCc1cc(cc(c1)S[13CH3])N 62a_200025704644_100010074814 [1,2,0,0,0,0|0,0,1]=4 11700 B11R1.9 CNc1cc(cc(c1)C#N)C 34a_100012017395_200000210301 [1,2,0,0,0,0|1,0,0]=4 11701 B11R1.9 CNc1cc(cc(c1)C#N)C 7a_100012017395_200000210301 [1,2,0,0,0,0|1,0,0]=4 11702 B11R1.9 CNc1cc(cc(c1)CO)Cl 2230a_100012002482_200000210301 [1,2,0,0,0,0|1,0,0]=4 11703 B11R1.9 CNc1cc(cc(c1)CO)Cl 34a_100012002482_200000210301 [1,2,0,0,0,0|1,0,0]=4 11704 B11R1.9 CNc1cc(cc(c1)CO)O 2230a_200000124675_200000210301 [1,2,0,0,0,0|1,0,0]=4 11705 B11R1.9 CNc1cc(cc(c1)CO)O 34a_200000124675_200000210301 [1,2,0,0,0,0|1,0,0]=4 11706 B11R1.9 CNc1cc(cc(c1)OC)Br 34a_100000750983_200000210301 [1,2,0,0,0,0|1,0,0]=4 11707 B11R1.9 CNc1cc(cc(c1)OC)Br 7a_100000750983_200000210301 [1,2,0,0,0,0|1,0,0]=4 11708 B11R1.9 CNc1cc(cc(c1)OC)C 2230a_100012001870_200000210301 [1,2,0,0,0,0|1,0,0]=4 11709 B11R1.9 CNc1cc(cc(c1)OC)C 34a_100012001870_200000210301 [1,2,0,0,0,0|1,0,0]=4 11710 B11R1.9 CNc1cc(cc(c1)OC)C 7a_100012001870_200000210301 [1,2,0,0,0,0|1,0,0]=4 11711 B11R1.9 CNc1cc(cc(c1)OC)Cl 2230a_100000051436_200000210301 [1,2,0,0,0,0|1,0,0]=4 11712 B11R1.9 CNc1cc(cc(c1)OC)Cl 34a_100000051436_200000210301 [1,2,0,0,0,0|1,0,0]=4 11713 B11R1.9 CNc1cc(cc(c1)OC)Cl 7a_100000051436_200000210301 [1,2,0,0,0,0|1,0,0]=4 11714 B11R1.9 CNc1cc(cc(c1)OC)F 2230a_100000687699_200000210301 [1,2,0,0,0,0|1,0,0]=4 11715 B11R1.9 CNc1cc(cc(c1)OC)F 34a_100000687699_200000210301 [1,2,0,0,0,0|1,0,0]=4 11716 B11R1.9 CNc1cc(cc(c1)OC)F 7a_100000687699_200000210301 [1,2,0,0,0,0|1,0,0]=4 11717 B11R1.9 CNc1cc(cc(c1)OC)O 34a_200000692186_200000210301 [1,2,0,0,0,0|1,0,0]=4 11718 B11R1.9 CNc1cc(cc(c1)SC)F 62a_106741647397_200000210301 [1,2,0,0,0,0|1,0,0]=4 11719 B11R1.9 CNc1cc(cc(c1)SC)F 62a_200000210301_106741647397 [1,2,0,0,0,0|1,0,0]=4 11720 B11R1.9 CNc1cc(cc(c1)S[13CH3])F 62a_106741647397_200025704644 [1,2,0,0,0,0|1,0,0]=4 11721 B11R1.9 CNc1cc(cc(c1)S[13CH3])F 62a_200025704644_106741647397 [1,2,0,0,0,0|1,0,0]=4 11722 B11R1.9 COc1cc(cc(c1)C#N)C 34a_100009849966_200000210301 [1,2,0,0,0,0|1,0,0]=4 11723 B11R1.9 COc1cc(cc(c1)C#N)C 7a_100009849966_200000210301 [1,2,0,0,0,0|1,0,0]=4 11724 B11R1.9 COc1cc(cc(c1)C=O)O 271570a_203496583355_100009816777 [1,2,0,0,0,0|0,0,0]=3 11725 B11R1.9 COc1cc(cc(c1)CN)Cl 34a_107254831445_200000210301 [1,2,0,0,0,0|1,0,0]=4 11726 B11R1.9 COc1cc(cc(c1)CN)F 34a_100160469513_200000210301 [1,2,0,0,0,0|1,0,0]=4 11727 B11R1.9 COc1cc(cc(c1)CO)N 34a_200000124675_200000210301 [1,2,0,0,0,0|1,0,0]=4 11728 B11R1.9 COc1cc(cc(c1)CO)O 271570a_203496583355_100009995317 [1,2,0,0,0,0|1,0,0]=4 11729 B11R1.9 COc1cc(cc(c1)N[13CH3])Br 34a_100000750983_200025704644 [1,2,0,0,0,0|1,0,0]=4 11730 B11R1.9 COc1cc(cc(c1)N[13CH3])Br 7a_100000750983_200025704644 [1,2,0,0,0,0|1,0,0]=4 11731 B11R1.9 COc1cc(cc(c1)N[13CH3])C 2230a_100012001870_200025704644 [1,2,0,0,0,0|1,0,0]=4 11732 B11R1.9 COc1cc(cc(c1)N[13CH3])C 34a_100012001870_200025704644 [1,2,0,0,0,0|1,0,0]=4 11733 B11R1.9 COc1cc(cc(c1)N[13CH3])C 7a_100012001870_200025704644 [1,2,0,0,0,0|1,0,0]=4 11734 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 2230a_100000051436_200025704644 [1,2,0,0,0,0|1,0,0]=4 11735 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 34a_100000051436_200025704644 [1,2,0,0,0,0|1,0,0]=4 11736 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 7a_100000051436_200025704644 [1,2,0,0,0,0|1,0,0]=4 11737 B11R1.9 COc1cc(cc(c1)N[13CH3])F 2230a_100000687699_200025704644 [1,2,0,0,0,0|1,0,0]=4 11738 B11R1.9 COc1cc(cc(c1)N[13CH3])F 34a_100000687699_200025704644 [1,2,0,0,0,0|1,0,0]=4 11739 B11R1.9 COc1cc(cc(c1)N[13CH3])F 7a_100000687699_200025704644 [1,2,0,0,0,0|1,0,0]=4 11740 B11R1.9 COc1cc(cc(c1)N[13CH3])O 34a_200000692186_200025704644 [1,2,0,0,0,0|1,0,0]=4 11741 B11R1.9 COc1cc(cc(c1)OC)Br 34a_100010068927_200000210301 [1,2,0,0,0,0|1,0,0]=4 11742 B11R1.9 COc1cc(cc(c1)OC)Br 7a_100010068927_200000210301 [1,2,0,0,0,0|1,0,0]=4 11743 B11R1.9 COc1cc(cc(c1)OC)C 34a_100011216608_200000210301 [1,2,0,0,0,0|1,0,0]=4 11744 B11R1.9 COc1cc(cc(c1)OC)C 7a_100011216608_200000210301 [1,2,0,0,0,0|1,0,0]=4 11745 B11R1.9 COc1cc(cc(c1)OC)Cl 34a_100000051430_200000210301 [1,2,0,0,0,0|1,0,0]=4 11746 B11R1.9 COc1cc(cc(c1)OC)Cl 7a_100000051430_200000210301 [1,2,0,0,0,0|1,0,0]=4 11747 B11R1.9 COc1cc(cc(c1)OC)F 34a_100011369910_200000210301 [1,2,0,0,0,0|1,0,0]=4 11748 B11R1.9 COc1cc(cc(c1)OC)F 7a_100011369910_200000210301 [1,2,0,0,0,0|1,0,0]=4 11749 B11R1.9 COc1cc(cc(c1)OC)N 34a_200000692186_200000210301 [1,2,0,0,0,0|1,0,0]=4 11750 B11R1.9 COc1cc(cc(c1)OC)N 7a_200000692186_200000210301 [1,2,0,0,0,0|1,0,0]=4 11751 B11R1.9 COc1cc(cc(c1)OC)O 271570a_203496583355_100000685218 [1,2,0,0,0,0|1,0,0]=4 11752 B11R1.9 COc1cc(cc(c1)O[13CH3])Br 34a_100010068927_200025704644 [1,2,0,0,0,0|1,0,0]=4 11753 B11R1.9 COc1cc(cc(c1)O[13CH3])Br 7a_100010068927_200025704644 [1,2,0,0,0,0|1,0,0]=4 11754 B11R1.9 COc1cc(cc(c1)O[13CH3])C 34a_100011216608_200025704644 [1,2,0,0,0,0|1,0,0]=4 11755 B11R1.9 COc1cc(cc(c1)O[13CH3])C 7a_100011216608_200025704644 [1,2,0,0,0,0|1,0,0]=4 11756 B11R1.9 COc1cc(cc(c1)O[13CH3])Cl 34a_100000051430_200025704644 [1,2,0,0,0,0|1,0,0]=4 11757 B11R1.9 COc1cc(cc(c1)O[13CH3])Cl 7a_100000051430_200025704644 [1,2,0,0,0,0|1,0,0]=4 11758 B11R1.9 COc1cc(cc(c1)O[13CH3])F 34a_100011369910_200025704644 [1,2,0,0,0,0|1,0,0]=4 11759 B11R1.9 COc1cc(cc(c1)O[13CH3])F 7a_100011369910_200025704644 [1,2,0,0,0,0|1,0,0]=4 11760 B11R1.9 COc1cc(cc(c1)O[13CH3])N 34a_200000692186_200025704644 [1,2,0,0,0,0|1,0,0]=4 11761 B11R1.9 COc1cc(cc(c1)O[13CH3])N 7a_200000692186_200025704644 [1,2,0,0,0,0|1,0,0]=4 11762 B11R1.9 COc1cc(cc(c1)SC)Br 62a_100010141301_200000210301 [1,2,0,0,0,0|1,0,0]=4 11763 B11R1.9 COc1cc(cc(c1)SC)Br 62a_200000210301_100010141301 [1,2,0,0,0,0|1,0,0]=4 11764 B11R1.9 COc1cc(cc(c1)SC)C 62a_200000210301_100010187550 [1,2,0,0,0,0|1,0,0]=4 11765 B11R1.9 COc1cc(cc(c1)SC)Cl 62a_100010147680_200000210301 [1,2,0,0,0,0|1,0,0]=4 11766 B11R1.9 COc1cc(cc(c1)SC)Cl 62a_200000210301_100010147680 [1,2,0,0,0,0|1,0,0]=4 11767 B11R1.9 COc1cc(cc(c1)SC)F 62a_100011934182_200000210301 [1,2,0,0,0,0|1,0,0]=4 11768 B11R1.9 COc1cc(cc(c1)SC)F 62a_200000210301_100011934182 [1,2,0,0,0,0|1,0,0]=4 11769 B11R1.9 COc1cc(cc(c1)SC)N 62a_100000750983_200000210301 [1,2,0,0,0,0|1,0,0]=4 11770 B11R1.9 COc1cc(cc(c1)SC)N 62a_200000210301_100000750983 [1,2,0,0,0,0|1,0,0]=4 11771 B11R1.9 COc1cc(cc(c1)SC)O 271570a_203496583355_200010709149 [1,2,0,0,0,0|1,0,0]=4 11772 B11R1.9 COc1cc(cc(c1)SC)O 62a_200000210301_100010068927 [1,2,0,0,0,0|1,0,0]=4 11773 B11R1.9 COc1cc(cc(c1)S[13CH3])Br 62a_100010141301_200025704644 [1,2,0,0,0,0|1,0,0]=4 11774 B11R1.9 COc1cc(cc(c1)S[13CH3])Br 62a_200025704644_100010141301 [1,2,0,0,0,0|1,0,0]=4 11775 B11R1.9 COc1cc(cc(c1)S[13CH3])C 62a_200025704644_100010187550 [1,2,0,0,0,0|1,0,0]=4 11776 B11R1.9 COc1cc(cc(c1)S[13CH3])Cl 62a_100010147680_200025704644 [1,2,0,0,0,0|1,0,0]=4 11777 B11R1.9 COc1cc(cc(c1)S[13CH3])Cl 62a_200025704644_100010147680 [1,2,0,0,0,0|1,0,0]=4 11778 B11R1.9 COc1cc(cc(c1)S[13CH3])F 62a_100011934182_200025704644 [1,2,0,0,0,0|1,0,0]=4 11779 B11R1.9 COc1cc(cc(c1)S[13CH3])F 62a_200025704644_100011934182 [1,2,0,0,0,0|1,0,0]=4 11780 B11R1.9 COc1cc(cc(c1)S[13CH3])N 62a_100000750983_200025704644 [1,2,0,0,0,0|1,0,0]=4 11781 B11R1.9 COc1cc(cc(c1)S[13CH3])N 62a_200025704644_100000750983 [1,2,0,0,0,0|1,0,0]=4 11782 B11R1.9 COc1cc(cc(c1)S[13CH3])O 62a_200025704644_100010068927 [1,2,0,0,0,0|1,0,0]=4 11783 B11R1.9 COc1cc(nc(c1)C=O)O 271570a_203496583355_200009844316 [1,2,0,0,0,0|1,0,0]=4 11784 B11R1.9 CSc1cc(cc(c1)C#N)C 62a_200000210301_100011998626 [1,2,0,0,0,0|1,0,0]=4 11785 B11R1.9 CSc1cc(cc(c1)C=O)Br 62a_100010185649_200000210301 [1,2,0,0,0,0|0,0,0]=3 11786 B11R1.9 CSc1cc(cc(c1)C=O)Br 62a_200000210301_100010185649 [1,2,0,0,0,0|0,0,0]=3 11787 B11R1.9 CSc1cc(cc(c1)C=O)C 62a_100000686105_200000210301 [1,2,0,0,0,0|0,0,0]=3 11788 B11R1.9 CSc1cc(cc(c1)C=O)C 62a_200000210301_100000686105 [1,2,0,0,0,0|0,0,0]=3 11789 B11R1.9 CSc1cc(cc(c1)C=O)F 62a_100011794424_200000210301 [1,2,0,0,0,0|0,0,0]=3 11790 B11R1.9 CSc1cc(cc(c1)C=O)F 62a_200000210301_100011794424 [1,2,0,0,0,0|0,0,0]=3 11791 B11R1.9 CSc1cc(cc(c1)C=O)O 62a_100010176088_200000210301 [1,2,0,0,0,0|0,0,0]=3 11792 B11R1.9 CSc1cc(cc(c1)C=O)O 62a_200000210301_100010176088 [1,2,0,0,0,0|0,0,0]=3 11793 B11R1.9 CSc1cc(cc(c1)CN)F 62a_100020611034_200000210301 [1,2,0,0,0,0|1,0,0]=4 11794 B11R1.9 CSc1cc(cc(c1)CN)F 62a_200000210301_100020611034 [1,2,0,0,0,0|1,0,0]=4 11795 B11R1.9 CSc1cc(cc(c1)CO)Br 62a_100009814756_200000210301 [1,2,0,0,0,0|1,0,0]=4 11796 B11R1.9 CSc1cc(cc(c1)CO)Br 62a_200000210301_100009814756 [1,2,0,0,0,0|1,0,0]=4 11797 B11R1.9 CSc1cc(cc(c1)CO)C 62a_100000720511_200000210301 [1,2,0,0,0,0|1,0,0]=4 11798 B11R1.9 CSc1cc(cc(c1)CO)C 62a_200000210301_100000720511 [1,2,0,0,0,0|1,0,0]=4 11799 B11R1.9 CSc1cc(cc(c1)CO)F 62a_100000766897_200000210301 [1,2,0,0,0,0|1,0,0]=4 11800 B11R1.9 CSc1cc(cc(c1)CO)F 62a_200000210301_100000766897 [1,2,0,0,0,0|1,0,0]=4 11801 B11R1.9 CSc1cc(cc(c1)SC)C 62a_200000210301_200010709730 [1,2,0,0,0,0|1,0,0]=4 11802 B11R1.9 CSc1cc(cc(c1)SC)C 62a_200010709730_200000210301 [1,2,0,0,0,0|1,0,0]=4 11803 B11R1.9 CSc1cc(cc(c1)SC)F 62a_200000210301_200010245467 [1,2,0,0,0,0|1,0,0]=4 11804 B11R1.9 CSc1cc(cc(c1)SC)F 62a_200010245467_200000210301 [1,2,0,0,0,0|1,0,0]=4 11805 B11R1.9 CSc1cc(cc(c1)S[13CH3])C 62a_200010709730_200025704644 [1,2,0,0,0,0|1,0,0]=4 11806 B11R1.9 CSc1cc(cc(c1)S[13CH3])C 62a_200025704644_200010709730 [1,2,0,0,0,0|1,0,0]=4 11807 B11R1.9 CSc1cc(cc(c1)S[13CH3])F 62a_200010245467_200025704644 [1,2,0,0,0,0|1,0,0]=4 11808 B11R1.9 CSc1cc(cc(c1)S[13CH3])F 62a_200025704644_200010245467 [1,2,0,0,0,0|1,0,0]=4 11809 B11R1.9 CSc1cc(nc(c1)C=O)C 62a_100009814795_200000210301 [1,2,0,0,0,0|1,0,0]=4 11810 B11R1.9 CSc1cc(nc(c1)C=O)C 62a_200000210301_100009814795 [1,2,0,0,0,0|1,0,0]=4 11811 B11R1.9 Cc1cc(cc(c1)N[13CH3])C#N 34a_100012017395_200025704644 [1,2,0,0,0,0|1,0,0]=4 11812 B11R1.9 Cc1cc(cc(c1)N[13CH3])C#N 7a_100012017395_200025704644 [1,2,0,0,0,0|1,0,0]=4 11813 B11R1.9 Cc1cc(cc(c1)O[13CH3])C#N 34a_100009849966_200025704644 [1,2,0,0,0,0|1,0,0]=4 11814 B11R1.9 Cc1cc(cc(c1)O[13CH3])C#N 7a_100009849966_200025704644 [1,2,0,0,0,0|1,0,0]=4 11815 B11R1.9 Cc1cc(cc(c1)S[13CH3])C#N 62a_200025704644_100011998626 [1,2,0,0,0,0|1,0,0]=4 11816 B11R1.9 Cc1cc(cc(c1)S[13CH3])C=O 62a_100000686105_200025704644 [1,2,0,0,0,0|0,0,0]=3 11817 B11R1.9 Cc1cc(cc(c1)S[13CH3])C=O 62a_200025704644_100000686105 [1,2,0,0,0,0|0,0,0]=3 11818 B11R1.9 Cc1cc(cc(c1)S[13CH3])CO 62a_100000720511_200025704644 [1,2,0,0,0,0|1,0,0]=4 11819 B11R1.9 Cc1cc(cc(c1)S[13CH3])CO 62a_200025704644_100000720511 [1,2,0,0,0,0|1,0,0]=4 11820 B11R1.9 Cc1cc(cc(n1)C=O)S[13CH3] 62a_100009814795_200025704644 [1,2,0,0,0,0|1,0,0]=4 11821 B11R1.9 Cc1cc(cc(n1)C=O)S[13CH3] 62a_200025704644_100009814795 [1,2,0,0,0,0|1,0,0]=4 11822 B11R1.9 N#Cc1cc(cc(c1)C=O)O 271570a_203496583355_100009814813 [1,2,0,0,0,0|0,0,1]=4 11823 B11R1.9 O=Cc1cc(cc(c1)C=O)O 271570a_203496583355_100010197295 [1,2,0,0,0,0|0,0,1]=4 11824 B11R1.9 [13CH3]Nc1cc(cc(c1)CO)Cl 2230a_100012002482_200025704644 [1,2,0,0,0,0|1,0,0]=4 11825 B11R1.9 [13CH3]Nc1cc(cc(c1)CO)Cl 34a_100012002482_200025704644 [1,2,0,0,0,0|1,0,0]=4 11826 B11R1.9 [13CH3]Nc1cc(cc(c1)CO)O 2230a_200000124675_200025704644 [1,2,0,0,0,0|1,0,0]=4 11827 B11R1.9 [13CH3]Nc1cc(cc(c1)CO)O 34a_200000124675_200025704644 [1,2,0,0,0,0|1,0,0]=4 11828 B11R1.9 [13CH3]Oc1cc(cc(c1)CN)Cl 34a_107254831445_200025704644 [1,2,0,0,0,0|1,0,0]=4 11829 B11R1.9 [13CH3]Oc1cc(cc(c1)CN)F 34a_100160469513_200025704644 [1,2,0,0,0,0|1,0,0]=4 11830 B11R1.9 [13CH3]Oc1cc(cc(c1)CO)N 34a_200000124675_200025704644 [1,2,0,0,0,0|1,0,0]=4 11831 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)Br 62a_100010185649_200025704644 [1,2,0,0,0,0|0,0,0]=3 11832 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)Br 62a_200025704644_100010185649 [1,2,0,0,0,0|0,0,0]=3 11833 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)F 62a_100011794424_200025704644 [1,2,0,0,0,0|0,0,0]=3 11834 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)F 62a_200025704644_100011794424 [1,2,0,0,0,0|0,0,0]=3 11835 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)O 62a_100010176088_200025704644 [1,2,0,0,0,0|0,0,0]=3 11836 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)O 62a_200025704644_100010176088 [1,2,0,0,0,0|0,0,0]=3 11837 B11R1.9 [13CH3]Sc1cc(cc(c1)CN)F 62a_100020611034_200025704644 [1,2,0,0,0,0|1,0,0]=4 11838 B11R1.9 [13CH3]Sc1cc(cc(c1)CN)F 62a_200025704644_100020611034 [1,2,0,0,0,0|1,0,0]=4 11839 B11R1.9 [13CH3]Sc1cc(cc(c1)CO)Br 62a_100009814756_200025704644 [1,2,0,0,0,0|1,0,0]=4 11840 B11R1.9 [13CH3]Sc1cc(cc(c1)CO)Br 62a_200025704644_100009814756 [1,2,0,0,0,0|1,0,0]=4 11841 B11R1.9 [13CH3]Sc1cc(cc(c1)CO)F 62a_100000766897_200025704644 [1,2,0,0,0,0|1,0,0]=4 11842 B11R1.9 [13CH3]Sc1cc(cc(c1)CO)F 62a_200025704644_100000766897 [1,2,0,0,0,0|1,0,0]=4 11843 B11R1.14 C=Cc1cc(c(c(c1)Br)O)C 271570a_100011290941_100010982682 [1,2,0,0,0,0|0,0,1]=4 11844 B11R1.14 C=Cc1cc(c(c(c1)C)C)C 271570a_100011290941_200011015895 [1,2,0,0,0,0|0,0,1]=4 11845 B11R1.14 C=Cc1cc(c(c(c1)C)F)C 271570a_100011290941_100009814169 [1,2,0,0,0,0|0,0,1]=4 11846 B11R1.14 C=Cc1cc(c(c(c1)C)N)C 271570a_100011290941_100000737279 [1,2,0,0,0,0|0,0,1]=4 11847 B11R1.14 C=Cc1cc(c(c(c1)C)O)C 271570a_100011290941_100000187306 [1,2,0,0,0,0|0,0,1]=4 11848 B11R1.14 C=Cc1cc(c(c(c1)Cl)O)C 271570a_100011290941_200015900153 [1,2,0,0,0,0|0,0,1]=4 11849 B11R1.14 C=Cc1cc(c(c(c1)F)F)C 271570a_100011290941_200011068660 [1,2,0,0,0,0|0,0,1]=4 11850 B11R1.14 C=Cc1cc(c(c(c1)F)N)C 271570a_100011290941_100000709789 [1,2,0,0,0,0|0,0,1]=4 11851 B11R1.14 C=Cc1cc(c(c(c1)N)F)C 271570a_100011290941_100010381932 [1,2,0,0,0,0|0,0,1]=4 11852 B11R1.14 C=Cc1cc(c(c(c1)N)N)C 271570a_100011290941_100000688557 [1,2,0,0,0,0|0,0,1]=4 11853 B11R1.14 C=Cc1cc(c(c(c1)N)O)C 271570a_100011290941_100011825904 [1,2,0,0,0,0|0,0,1]=4 11854 B11R1.14 C=Cc1cc(c(c(c1)O)N)C 271570a_100011290941_100010371313 [1,2,0,0,0,0|0,0,1]=4 11855 B11R1.14 CNc1cc(c(c(c1)Br)C)C 2230a_100010368239_200000210301 [1,2,0,0,0,0|1,0,0]=4 11856 B11R1.14 CNc1cc(c(c(c1)Br)C)C 34a_100010368239_200000210301 [1,2,0,0,0,0|1,0,0]=4 11857 B11R1.14 CNc1cc(c(c(c1)Br)C)C 7a_100010368239_200000210301 [1,2,0,0,0,0|1,0,0]=4 11858 B11R1.14 CNc1cc(c(c(c1)Br)O)C 34a_100010064301_200000210301 [1,2,0,0,0,0|1,0,0]=4 11859 B11R1.14 CNc1cc(c(c(c1)Br)O)C 7a_100010064301_200000210301 [1,2,0,0,0,0|1,0,0]=4 11860 B11R1.14 CNc1cc(c(c(c1)C)Br)C 2230a_100000684802_200000210301 [1,2,0,0,0,0|1,0,0]=4 11861 B11R1.14 CNc1cc(c(c(c1)C)Br)C 34a_100000684802_200000210301 [1,2,0,0,0,0|1,0,0]=4 11862 B11R1.14 CNc1cc(c(c(c1)C)Br)C 7a_100000684802_200000210301 [1,2,0,0,0,0|1,0,0]=4 11863 B11R1.14 CNc1cc(c(c(c1)C)C)C 2230a_100000074974_200000210301 [1,2,0,0,0,0|1,0,0]=4 11864 B11R1.14 CNc1cc(c(c(c1)C)C)C 34a_100000074974_200000210301 [1,2,0,0,0,0|1,0,0]=4 11865 B11R1.14 CNc1cc(c(c(c1)C)C)C 7a_100000074974_200000210301 [1,2,0,0,0,0|1,0,0]=4 11866 B11R1.14 CNc1cc(c(c(c1)C)F)C 2230a_100000061604_200000210301 [1,2,0,0,0,0|1,0,0]=4 11867 B11R1.14 CNc1cc(c(c(c1)C)F)C 34a_100000061604_200000210301 [1,2,0,0,0,0|1,0,0]=4 11868 B11R1.14 CNc1cc(c(c(c1)C)F)C 7a_100000061604_200000210301 [1,2,0,0,0,0|1,0,0]=4 11869 B11R1.14 CNc1cc(c(c(c1)C)I)C 34a_100000215964_200000210301 [1,2,0,0,0,0|1,0,0]=4 11870 B11R1.14 CNc1cc(c(c(c1)C)I)C 7a_100000215964_200000210301 [1,2,0,0,0,0|1,0,0]=4 11871 B11R1.14 CNc1cc(c(c(c1)C)O)C 34a_100000703291_200000210301 [1,2,0,0,0,0|1,0,0]=4 11872 B11R1.14 CNc1cc(c(c(c1)C)O)C 7a_100000703291_200000210301 [1,2,0,0,0,0|1,0,0]=4 11873 B11R1.14 CNc1cc(c(c(c1)Cl)Cl)C 2230a_100009830880_200000210301 [1,2,0,0,0,0|1,0,0]=4 11874 B11R1.14 CNc1cc(c(c(c1)Cl)Cl)C 34a_100009830880_200000210301 [1,2,0,0,0,0|1,0,0]=4 11875 B11R1.14 CNc1cc(c(c(c1)Cl)Cl)C 7a_100009830880_200000210301 [1,2,0,0,0,0|1,0,0]=4 11876 B11R1.14 CNc1cc(c(c(c1)F)Br)C 2230a_100010115923_200000210301 [1,2,0,0,0,0|1,0,0]=4 11877 B11R1.14 CNc1cc(c(c(c1)F)Br)C 34a_100010115923_200000210301 [1,2,0,0,0,0|1,0,0]=4 11878 B11R1.14 CNc1cc(c(c(c1)F)Br)C 7a_100010115923_200000210301 [1,2,0,0,0,0|1,0,0]=4 11879 B11R1.14 CNc1cc(c(c(c1)F)F)C 2230a_100010704045_200000210301 [1,2,0,0,0,0|1,0,0]=4 11880 B11R1.14 CNc1cc(c(c(c1)F)F)C 34a_100010704045_200000210301 [1,2,0,0,0,0|1,0,0]=4 11881 B11R1.14 CNc1cc(c(c(c1)F)F)C 7a_100010704045_200000210301 [1,2,0,0,0,0|1,0,0]=4 11882 B11R1.14 COc1cc(c(c(c1)Br)C)C 34a_100010068915_200000210301 [1,2,0,0,0,0|1,0,0]=4 11883 B11R1.14 COc1cc(c(c(c1)Br)C)C 7a_100010068915_200000210301 [1,2,0,0,0,0|1,0,0]=4 11884 B11R1.14 COc1cc(c(c(c1)C)Br)C 34a_100000243743_200000210301 [1,2,0,0,0,0|1,0,0]=4 11885 B11R1.14 COc1cc(c(c(c1)C)Br)C 7a_100000243743_200000210301 [1,2,0,0,0,0|1,0,0]=4 11886 B11R1.14 COc1cc(c(c(c1)C)C)C 34a_200000042890_200000210301 [1,2,0,0,0,0|1,0,0]=4 11887 B11R1.14 COc1cc(c(c(c1)C)C)C 7a_200000042890_200000210301 [1,2,0,0,0,0|1,0,0]=4 11888 B11R1.14 COc1cc(c(c(c1)C)Cl)C 34a_100000739557_200000210301 [1,2,0,0,0,0|1,0,0]=4 11889 B11R1.14 COc1cc(c(c(c1)C)Cl)C 7a_100000739557_200000210301 [1,2,0,0,0,0|1,0,0]=4 11890 B11R1.14 COc1cc(c(c(c1)C)I)C 34a_100011216239_200000210301 [1,2,0,0,0,0|1,0,0]=4 11891 B11R1.14 COc1cc(c(c(c1)C)I)C 7a_100011216239_200000210301 [1,2,0,0,0,0|1,0,0]=4 11892 B11R1.14 COc1cc(c(c(c1)C)N)C 34a_100011934200_200000210301 [1,2,0,0,0,0|1,0,0]=4 11893 B11R1.14 COc1cc(c(c(c1)C)N)C 7a_100011934200_200000210301 [1,2,0,0,0,0|1,0,0]=4 11894 B11R1.14 COc1cc(c(c(c1)C)O)C 271570a_203496583355_100012160682 [1,2,0,0,0,0|1,0,0]=4 11895 B11R1.14 COc1cc(c(c(c1)O)N)C 271570a_203496583355_200011010636 [1,2,0,0,0,0|1,0,0]=4 11896 B11R1.14 CSc1cc(c(c(c1)Br)O)C 62a_100010982682_200000210301 [1,2,0,0,0,0|1,0,0]=4 11897 B11R1.14 CSc1cc(c(c(c1)Br)O)C 62a_200000210301_100010982682 [1,2,0,0,0,0|1,0,0]=4 11898 B11R1.14 CSc1cc(c(c(c1)C)Br)C 62a_100012353698_200000210301 [1,2,0,0,0,0|1,0,0]=4 11899 B11R1.14 CSc1cc(c(c(c1)C)Br)C 62a_200000210301_100012353698 [1,2,0,0,0,0|1,0,0]=4 11900 B11R1.14 CSc1cc(c(c(c1)C)C)C 62a_200000210301_200011015895 [1,2,0,0,0,0|1,0,0]=4 11901 B11R1.14 CSc1cc(c(c(c1)C)C)C 62a_200011015895_200000210301 [1,2,0,0,0,0|1,0,0]=4 11902 B11R1.14 CSc1cc(c(c(c1)C)F)C 62a_100009814169_200000210301 [1,2,0,0,0,0|1,0,0]=4 11903 B11R1.14 CSc1cc(c(c(c1)C)F)C 62a_200000210301_100009814169 [1,2,0,0,0,0|1,0,0]=4 11904 B11R1.14 CSc1cc(c(c(c1)C)N)C 62a_100000737279_200000210301 [1,2,0,0,0,0|1,0,0]=4 11905 B11R1.14 CSc1cc(c(c(c1)C)N)C 62a_200000210301_100000737279 [1,2,0,0,0,0|1,0,0]=4 11906 B11R1.14 CSc1cc(c(c(c1)C)O)C 62a_100011216129_200000210301 [1,2,0,0,0,0|1,0,0]=4 11907 B11R1.14 CSc1cc(c(c(c1)C)O)C 62a_200000210301_100011216129 [1,2,0,0,0,0|1,0,0]=4 11908 B11R1.14 CSc1cc(c(c(c1)Cl)O)C 62a_200000210301_200015900153 [1,2,0,0,0,0|1,0,0]=4 11909 B11R1.14 CSc1cc(c(c(c1)Cl)O)C 62a_200015900153_200000210301 [1,2,0,0,0,0|1,0,0]=4 11910 B11R1.14 CSc1cc(c(c(c1)F)F)C 62a_200000210301_200011068660 [1,2,0,0,0,0|1,0,0]=4 11911 B11R1.14 CSc1cc(c(c(c1)F)F)C 62a_200011068660_200000210301 [1,2,0,0,0,0|1,0,0]=4 11912 B11R1.14 CSc1cc(c(c(c1)F)N)C 62a_100000709789_200000210301 [1,2,0,0,0,0|1,0,0]=4 11913 B11R1.14 CSc1cc(c(c(c1)F)N)C 62a_200000210301_100000709789 [1,2,0,0,0,0|1,0,0]=4 11914 B11R1.14 CSc1cc(c(c(c1)N)F)C 62a_100010381932_200000210301 [1,2,0,0,0,0|1,0,0]=4 11915 B11R1.14 CSc1cc(c(c(c1)N)F)C 62a_200000210301_100010381932 [1,2,0,0,0,0|1,0,0]=4 11916 B11R1.14 CSc1cc(c(c(c1)N)N)C 62a_100000688557_200000210301 [1,2,0,0,0,0|1,0,0]=4 11917 B11R1.14 CSc1cc(c(c(c1)N)N)C 62a_200000210301_100000688557 [1,2,0,0,0,0|1,0,0]=4 11918 B11R1.14 CSc1cc(c(c(c1)N)O)C 62a_100011825904_200000210301 [1,2,0,0,0,0|1,0,0]=4 11919 B11R1.14 CSc1cc(c(c(c1)N)O)C 62a_200000210301_100011825904 [1,2,0,0,0,0|1,0,0]=4 11920 B11R1.14 CSc1cc(c(c(c1)O)N)C 62a_100010371313_200000210301 [1,2,0,0,0,0|1,0,0]=4 11921 B11R1.14 CSc1cc(c(c(c1)O)N)C 62a_200000210301_100010371313 [1,2,0,0,0,0|1,0,0]=4 11922 B11R1.14 Cc1c(cc(cc1F)C=O)O 271570a_203496583355_100010132949 [1,2,0,0,0,0|1,0,0]=4 11923 B11R1.14 Cc1cc(cc(c1Br)C)N[13CH3] 2230a_100000684802_200025704644 [1,2,0,0,0,0|1,0,0]=4 11924 B11R1.14 Cc1cc(cc(c1Br)C)N[13CH3] 34a_100000684802_200025704644 [1,2,0,0,0,0|1,0,0]=4 11925 B11R1.14 Cc1cc(cc(c1Br)C)N[13CH3] 7a_100000684802_200025704644 [1,2,0,0,0,0|1,0,0]=4 11926 B11R1.14 Cc1cc(cc(c1Br)C)O[13CH3] 34a_100000243743_200025704644 [1,2,0,0,0,0|1,0,0]=4 11927 B11R1.14 Cc1cc(cc(c1Br)C)O[13CH3] 7a_100000243743_200025704644 [1,2,0,0,0,0|1,0,0]=4 11928 B11R1.14 Cc1cc(cc(c1Br)C)S[13CH3] 62a_100012353698_200025704644 [1,2,0,0,0,0|1,0,0]=4 11929 B11R1.14 Cc1cc(cc(c1Br)C)S[13CH3] 62a_200025704644_100012353698 [1,2,0,0,0,0|1,0,0]=4 11930 B11R1.14 Cc1cc(cc(c1Br)F)N[13CH3] 2230a_100010115923_200025704644 [1,2,0,0,0,0|1,0,0]=4 11931 B11R1.14 Cc1cc(cc(c1Br)F)N[13CH3] 34a_100010115923_200025704644 [1,2,0,0,0,0|1,0,0]=4 11932 B11R1.14 Cc1cc(cc(c1Br)F)N[13CH3] 7a_100010115923_200025704644 [1,2,0,0,0,0|1,0,0]=4 11933 B11R1.14 Cc1cc(cc(c1C)Br)N[13CH3] 2230a_100010368239_200025704644 [1,2,0,0,0,0|1,0,0]=4 11934 B11R1.14 Cc1cc(cc(c1C)Br)N[13CH3] 34a_100010368239_200025704644 [1,2,0,0,0,0|1,0,0]=4 11935 B11R1.14 Cc1cc(cc(c1C)Br)N[13CH3] 7a_100010368239_200025704644 [1,2,0,0,0,0|1,0,0]=4 11936 B11R1.14 Cc1cc(cc(c1C)Br)O[13CH3] 34a_100010068915_200025704644 [1,2,0,0,0,0|1,0,0]=4 11937 B11R1.14 Cc1cc(cc(c1C)Br)O[13CH3] 7a_100010068915_200025704644 [1,2,0,0,0,0|1,0,0]=4 11938 B11R1.14 Cc1cc(cc(c1C)C)N[13CH3] 2230a_100000074974_200025704644 [1,2,0,0,0,0|1,0,0]=4 11939 B11R1.14 Cc1cc(cc(c1C)C)N[13CH3] 34a_100000074974_200025704644 [1,2,0,0,0,0|1,0,0]=4 11940 B11R1.14 Cc1cc(cc(c1C)C)N[13CH3] 7a_100000074974_200025704644 [1,2,0,0,0,0|1,0,0]=4 11941 B11R1.14 Cc1cc(cc(c1C)C)O[13CH3] 34a_200000042890_200025704644 [1,2,0,0,0,0|1,0,0]=4 11942 B11R1.14 Cc1cc(cc(c1C)C)O[13CH3] 7a_200000042890_200025704644 [1,2,0,0,0,0|1,0,0]=4 11943 B11R1.14 Cc1cc(cc(c1C)C)S[13CH3] 62a_200011015895_200025704644 [1,2,0,0,0,0|1,0,0]=4 11944 B11R1.14 Cc1cc(cc(c1C)C)S[13CH3] 62a_200025704644_200011015895 [1,2,0,0,0,0|1,0,0]=4 11945 B11R1.14 Cc1cc(cc(c1Cl)C)O[13CH3] 34a_100000739557_200025704644 [1,2,0,0,0,0|1,0,0]=4 11946 B11R1.14 Cc1cc(cc(c1Cl)C)O[13CH3] 7a_100000739557_200025704644 [1,2,0,0,0,0|1,0,0]=4 11947 B11R1.14 Cc1cc(cc(c1Cl)Cl)N[13CH3] 2230a_100009830880_200025704644 [1,2,0,0,0,0|1,0,0]=4 11948 B11R1.14 Cc1cc(cc(c1Cl)Cl)N[13CH3] 34a_100009830880_200025704644 [1,2,0,0,0,0|1,0,0]=4 11949 B11R1.14 Cc1cc(cc(c1Cl)Cl)N[13CH3] 7a_100009830880_200025704644 [1,2,0,0,0,0|1,0,0]=4 11950 B11R1.14 Cc1cc(cc(c1F)C)N[13CH3] 2230a_100000061604_200025704644 [1,2,0,0,0,0|1,0,0]=4 11951 B11R1.14 Cc1cc(cc(c1F)C)N[13CH3] 34a_100000061604_200025704644 [1,2,0,0,0,0|1,0,0]=4 11952 B11R1.14 Cc1cc(cc(c1F)C)N[13CH3] 7a_100000061604_200025704644 [1,2,0,0,0,0|1,0,0]=4 11953 B11R1.14 Cc1cc(cc(c1F)C)S[13CH3] 62a_100009814169_200025704644 [1,2,0,0,0,0|1,0,0]=4 11954 B11R1.14 Cc1cc(cc(c1F)C)S[13CH3] 62a_200025704644_100009814169 [1,2,0,0,0,0|1,0,0]=4 11955 B11R1.14 Cc1cc(cc(c1F)F)N[13CH3] 2230a_100010704045_200025704644 [1,2,0,0,0,0|1,0,0]=4 11956 B11R1.14 Cc1cc(cc(c1F)F)N[13CH3] 34a_100010704045_200025704644 [1,2,0,0,0,0|1,0,0]=4 11957 B11R1.14 Cc1cc(cc(c1F)F)N[13CH3] 7a_100010704045_200025704644 [1,2,0,0,0,0|1,0,0]=4 11958 B11R1.14 Cc1cc(cc(c1F)F)S[13CH3] 62a_200011068660_200025704644 [1,2,0,0,0,0|1,0,0]=4 11959 B11R1.14 Cc1cc(cc(c1F)F)S[13CH3] 62a_200025704644_200011068660 [1,2,0,0,0,0|1,0,0]=4 11960 B11R1.14 Cc1cc(cc(c1F)N)S[13CH3] 62a_100010381932_200025704644 [1,2,0,0,0,0|1,0,0]=4 11961 B11R1.14 Cc1cc(cc(c1F)N)S[13CH3] 62a_200025704644_100010381932 [1,2,0,0,0,0|1,0,0]=4 11962 B11R1.14 Cc1cc(cc(c1I)C)N[13CH3] 34a_100000215964_200025704644 [1,2,0,0,0,0|1,0,0]=4 11963 B11R1.14 Cc1cc(cc(c1I)C)N[13CH3] 7a_100000215964_200025704644 [1,2,0,0,0,0|1,0,0]=4 11964 B11R1.14 Cc1cc(cc(c1I)C)O[13CH3] 34a_100011216239_200025704644 [1,2,0,0,0,0|1,0,0]=4 11965 B11R1.14 Cc1cc(cc(c1I)C)O[13CH3] 7a_100011216239_200025704644 [1,2,0,0,0,0|1,0,0]=4 11966 B11R1.14 Cc1cc(cc(c1N)C)O[13CH3] 34a_100011934200_200025704644 [1,2,0,0,0,0|1,0,0]=4 11967 B11R1.14 Cc1cc(cc(c1N)C)O[13CH3] 7a_100011934200_200025704644 [1,2,0,0,0,0|1,0,0]=4 11968 B11R1.14 Cc1cc(cc(c1N)C)S[13CH3] 62a_100000737279_200025704644 [1,2,0,0,0,0|1,0,0]=4 11969 B11R1.14 Cc1cc(cc(c1N)C)S[13CH3] 62a_200025704644_100000737279 [1,2,0,0,0,0|1,0,0]=4 11970 B11R1.14 Cc1cc(cc(c1N)F)S[13CH3] 62a_100000709789_200025704644 [1,2,0,0,0,0|1,0,0]=4 11971 B11R1.14 Cc1cc(cc(c1N)F)S[13CH3] 62a_200025704644_100000709789 [1,2,0,0,0,0|1,0,0]=4 11972 B11R1.14 Cc1cc(cc(c1N)N)S[13CH3] 62a_100000688557_200025704644 [1,2,0,0,0,0|1,0,0]=4 11973 B11R1.14 Cc1cc(cc(c1N)N)S[13CH3] 62a_200025704644_100000688557 [1,2,0,0,0,0|1,0,0]=4 11974 B11R1.14 Cc1cc(cc(c1N)O)S[13CH3] 62a_100010371313_200025704644 [1,2,0,0,0,0|1,0,0]=4 11975 B11R1.14 Cc1cc(cc(c1N)O)S[13CH3] 62a_200025704644_100010371313 [1,2,0,0,0,0|1,0,0]=4 11976 B11R1.14 Cc1cc(cc(c1O)Br)N[13CH3] 34a_100010064301_200025704644 [1,2,0,0,0,0|1,0,0]=4 11977 B11R1.14 Cc1cc(cc(c1O)Br)N[13CH3] 7a_100010064301_200025704644 [1,2,0,0,0,0|1,0,0]=4 11978 B11R1.14 Cc1cc(cc(c1O)Br)S[13CH3] 62a_100010982682_200025704644 [1,2,0,0,0,0|1,0,0]=4 11979 B11R1.14 Cc1cc(cc(c1O)Br)S[13CH3] 62a_200025704644_100010982682 [1,2,0,0,0,0|1,0,0]=4 11980 B11R1.14 Cc1cc(cc(c1O)C)C=O 271570a_203496583355_100000102522 [1,2,0,0,0,0|0,0,0]=3 11981 B11R1.14 Cc1cc(cc(c1O)C)N[13CH3] 34a_100000703291_200025704644 [1,2,0,0,0,0|1,0,0]=4 11982 B11R1.14 Cc1cc(cc(c1O)C)N[13CH3] 7a_100000703291_200025704644 [1,2,0,0,0,0|1,0,0]=4 11983 B11R1.14 Cc1cc(cc(c1O)C)S[13CH3] 62a_100011216129_200025704644 [1,2,0,0,0,0|1,0,0]=4 11984 B11R1.14 Cc1cc(cc(c1O)C)S[13CH3] 62a_200025704644_100011216129 [1,2,0,0,0,0|1,0,0]=4 11985 B11R1.14 Cc1cc(cc(c1O)Cl)S[13CH3] 62a_200015900153_200025704644 [1,2,0,0,0,0|1,0,0]=4 11986 B11R1.14 Cc1cc(cc(c1O)Cl)S[13CH3] 62a_200025704644_200015900153 [1,2,0,0,0,0|1,0,0]=4 11987 B11R1.14 Cc1cc(cc(c1O)N)S[13CH3] 62a_100011825904_200025704644 [1,2,0,0,0,0|1,0,0]=4 11988 B11R1.14 Cc1cc(cc(c1O)N)S[13CH3] 62a_200025704644_100011825904 [1,2,0,0,0,0|1,0,0]=4 11989 B11R1.14 O=Cc1cc(c(c(c1)Br)F)O 271570a_203496583355_100010270029 [1,2,0,0,0,0|1,0,0]=4 11990 B11R1.14 O=Cc1cc(c(c(c1)F)F)O 271570a_203496583355_200010341283 [1,2,0,0,0,0|1,0,0]=4 11991 B11R1.14 O=Cc1cc(c(c(c1)F)O)F 271570a_203496583355_100000104493 [1,2,0,0,0,0|1,0,0]=4 11992 B11R1.14 O=Cc1cc(c(c(c1)F)O)O 271570a_203496583355_100010295671 [1,2,0,0,0,0|1,0,0]=4 11993 B11R1.34 C=C=Cc1cc(cc(c1)C)C 271570a_100015277604_100011215608 [1,2,0,0,0,0|0,0,1]=4 11994 B11R1.34 C=C=Cc1cc(cc(c1)Cl)C 271570a_100015277604_100010172791 [1,2,0,0,0,0|0,0,1]=4 11995 B11R1.34 C=C=Cc1cc(cc(c1)F)C 271570a_100015277604_100011356977 [1,2,0,0,0,0|0,0,1]=4 11996 B11R1.34 C=C=Cc1cc(cc(c1)N)C 271570a_100015277604_100000695972 [1,2,0,0,0,0|0,0,1]=4 11997 B11R1.34 C=C=Cc1cc(cc(c1)O)C 271570a_100015277604_100011999630 [1,2,0,0,0,0|0,0,1]=4 11998 B11R1.34 CC=Cc1cc([nH]c(=O)c1)C 271570a_100016259895_100009861981 [1,2,0,0,0,0|1,0,0]=4 11999 B11R1.34 CC=Cc1cc(cc(c1)Br)Br 271570a_100016259895_100009814770 [1,2,0,0,0,0|1,0,0]=4 12000 B11R1.34 CC=Cc1cc(cc(c1)Br)Cl 271570a_100016259895_100009814755 [1,2,0,0,0,0|1,0,0]=4 12001 B11R1.34 CC=Cc1cc(cc(c1)Br)F 271570a_100016259895_100009814764 [1,2,0,0,0,0|1,0,0]=4 12002 B11R1.34 CC=Cc1cc(cc(c1)Br)N 271570a_100016259895_100009814763 [1,2,0,0,0,0|1,0,0]=4 12003 B11R1.34 CC=Cc1cc(cc(c1)Br)O 271570a_100016259895_100010068917 [1,2,0,0,0,0|1,0,0]=4 12004 B11R1.34 CC=Cc1cc(cc(c1)C)C 271570a_100016259895_100011215608 [1,2,0,0,0,0|0,0,0]=3 12005 B11R1.34 CC=Cc1cc(cc(c1)Cl)C 271570a_100016259895_100010172791 [1,2,0,0,0,0|0,0,0]=3 12006 B11R1.34 CC=Cc1cc(cc(c1)Cl)Cl 271570a_100016259895_100000747138 [1,2,0,0,0,0|1,0,0]=4 12007 B11R1.34 CC=Cc1cc(cc(c1)Cl)F 271570a_100016259895_100013859453 [1,2,0,0,0,0|1,0,0]=4 12008 B11R1.34 CC=Cc1cc(cc(c1)Cl)N 271570a_100016259895_100010147676 [1,2,0,0,0,0|1,0,0]=4 12009 B11R1.34 CC=Cc1cc(cc(c1)Cl)O 271570a_100016259895_100010068924 [1,2,0,0,0,0|1,0,0]=4 12010 B11R1.34 CC=Cc1cc(cc(c1)F)C 271570a_100016259895_100011356977 [1,2,0,0,0,0|0,0,0]=3 12011 B11R1.34 CC=Cc1cc(cc(c1)F)F 271570a_100016259895_100011218498 [1,2,0,0,0,0|1,0,0]=4 12012 B11R1.34 CC=Cc1cc(cc(c1)F)N 271570a_100016259895_100011356972 [1,2,0,0,0,0|1,0,0]=4 12013 B11R1.34 CC=Cc1cc(cc(c1)F)O 271570a_100016259895_100000717995 [1,2,0,0,0,0|1,0,0]=4 12014 B11R1.34 CC=Cc1cc(cc(c1)N)C 271570a_100016259895_100000695972 [1,2,0,0,0,0|0,0,0]=3 12015 B11R1.34 CC=Cc1cc(cc(c1)N)N 271570a_100016259895_100011999608 [1,2,0,0,0,0|1,0,0]=4 12016 B11R1.34 CC=Cc1cc(cc(c1)O)C 271570a_100016259895_100011999630 [1,2,0,0,0,0|0,0,0]=3 12017 B11R1.34 CC=Cc1cc(cc(c1)O)O 271570a_100016259895_100009868816 [1,2,0,0,0,0|1,0,0]=4 12018 B11R1.34 CC=Cc1cc(cc(n1)C)C 271570a_100016259895_100000069240 [1,2,0,0,0,0|1,0,0]=4 12019 B11R1.34 CC=Cc1cc(cc(n1)F)C 271570a_100016259895_100009819601 [1,2,0,0,0,0|1,0,0]=4 12020 B11R1.34 CC=Cc1cc(cc(n1)N)C 271570a_100016259895_100009819863 [1,2,0,0,0,0|1,0,0]=4 12021 B11R1.34 CC=Cc1cc(nc(c1)C)C 271570a_100016259895_100009816552 [1,2,0,0,0,0|1,0,0]=4 12022 B11R1.34 CC=Cc1cc(nc(c1)F)C 271570a_100016259895_100010006595 [1,2,0,0,0,0|1,0,0]=4 12023 B11R1.34 CC=Cc1cc(nc(c1)N)C 271570a_100016259895_100000076705 [1,2,0,0,0,0|1,0,0]=4 12024 B11R1.34 CCNc1cc(cc(c1)Br)C 34a_100000695972_100000210202 [1,2,0,0,0,0|0,0,1]=4 12025 B11R1.34 CCNc1cc(cc(c1)Br)C 7a_100000695972_100000210202 [1,2,0,0,0,0|0,0,1]=4 12026 B11R1.34 CCNc1cc(cc(c1)C)C 2230a_100000210930_100000210202 [1,2,0,0,0,0|0,0,1]=4 12027 B11R1.34 CCNc1cc(cc(c1)C)C 34a_100000210930_100000210202 [1,2,0,0,0,0|0,0,1]=4 12028 B11R1.34 CCNc1cc(cc(c1)C)C 7a_100000210930_100000210202 [1,2,0,0,0,0|0,0,1]=4 12029 B11R1.34 CCNc1cc(cc(c1)Cl)C 2230a_100012022512_100000210202 [1,2,0,0,0,0|0,0,1]=4 12030 B11R1.34 CCNc1cc(cc(c1)Cl)C 34a_100012022512_100000210202 [1,2,0,0,0,0|0,0,1]=4 12031 B11R1.34 CCNc1cc(cc(c1)Cl)C 7a_100012022512_100000210202 [1,2,0,0,0,0|0,0,1]=4 12032 B11R1.34 CCNc1cc(cc(c1)F)C 2230a_100000742734_100000210202 [1,2,0,0,0,0|0,0,1]=4 12033 B11R1.34 CCNc1cc(cc(c1)F)C 34a_100000742734_100000210202 [1,2,0,0,0,0|0,0,1]=4 12034 B11R1.34 CCNc1cc(cc(c1)F)C 7a_100000742734_100000210202 [1,2,0,0,0,0|0,0,1]=4 12035 B11R1.34 CCNc1cc(cc(c1)O)C 34a_100011995906_100000210202 [1,2,0,0,0,0|0,0,1]=4 12036 B11R1.34 CCNc1cc(cc(c1)O)C 7a_100011995906_100000210202 [1,2,0,0,0,0|0,0,1]=4 12037 B11R1.34 CCOc1cc(cc(c1)Br)C 34a_100011999630_100000210202 [1,2,0,0,0,0|0,0,1]=4 12038 B11R1.34 CCOc1cc(cc(c1)Br)C 7a_100011999630_100000210202 [1,2,0,0,0,0|0,0,1]=4 12039 B11R1.34 CCOc1cc(cc(c1)C)C 34a_100000210933_100000210202 [1,2,0,0,0,0|0,0,1]=4 12040 B11R1.34 CCOc1cc(cc(c1)C)C 7a_100000210933_100000210202 [1,2,0,0,0,0|0,0,1]=4 12041 B11R1.34 CCOc1cc(cc(c1)Cl)C 34a_100000087485_100000210202 [1,2,0,0,0,0|0,0,1]=4 12042 B11R1.34 CCOc1cc(cc(c1)Cl)C 7a_100000087485_100000210202 [1,2,0,0,0,0|0,0,1]=4 12043 B11R1.34 CCOc1cc(cc(c1)F)C 34a_100011830401_100000210202 [1,2,0,0,0,0|0,0,1]=4 12044 B11R1.34 CCOc1cc(cc(c1)F)C 7a_100011830401_100000210202 [1,2,0,0,0,0|0,0,1]=4 12045 B11R1.34 CCOc1cc(cc(c1)N)C 34a_100011995906_100000210202 [1,2,0,0,0,0|0,0,1]=4 12046 B11R1.34 CCOc1cc(cc(c1)N)C 7a_100011995906_100000210202 [1,2,0,0,0,0|0,0,1]=4 12047 B11R1.34 CCSc1cc(cc(c1)C)C 62a_100000210202_100011215608 [1,2,0,0,0,0|0,0,1]=4 12048 B11R1.34 CCSc1cc(cc(c1)C)C 62a_100011215608_100000210202 [1,2,0,0,0,0|0,0,1]=4 12049 B11R1.34 CCSc1cc(cc(c1)Cl)C 62a_100000210202_100010172791 [1,2,0,0,0,0|0,0,1]=4 12050 B11R1.34 CCSc1cc(cc(c1)Cl)C 62a_100010172791_100000210202 [1,2,0,0,0,0|0,0,1]=4 12051 B11R1.34 CCSc1cc(cc(c1)F)C 62a_100000210202_100011356977 [1,2,0,0,0,0|0,0,1]=4 12052 B11R1.34 CCSc1cc(cc(c1)F)C 62a_100011356977_100000210202 [1,2,0,0,0,0|0,0,1]=4 12053 B11R1.34 CCSc1cc(cc(c1)N)C 62a_100000210202_100000695972 [1,2,0,0,0,0|0,0,1]=4 12054 B11R1.34 CCSc1cc(cc(c1)N)C 62a_100000695972_100000210202 [1,2,0,0,0,0|0,0,1]=4 12055 B11R1.34 CCSc1cc(cc(c1)O)C 62a_100000210202_100011999630 [1,2,0,0,0,0|0,0,1]=4 12056 B11R1.34 CNCc1cc(cc(c1)Br)C 207a_100102657272_100000686105 [1,2,0,0,0,0|0,0,1]=4 12057 B11R1.34 CNCc1cc(cc(c1)Br)C 2230a_106832991635_100012348363 [1,2,0,0,0,0|0,0,1]=4 12058 B11R1.34 CNCc1cc(cc(c1)Br)C 269862a_106832991636_100000686105 [1,2,0,0,0,0|0,0,1]=4 12059 B11R1.34 CNCc1cc(cc(c1)Br)C 26a_100102657272_100011999630 [1,2,0,0,0,0|0,0,1]=4 12060 B11R1.34 CNCc1cc(cc(c1)Br)C 270004a_106832991635_100000686105 [1,2,0,0,0,0|0,0,1]=4 12061 B11R1.34 CNCc1cc(cc(c1)Br)C 34a_100102657272_100012348363 [1,2,0,0,0,0|0,0,1]=4 12062 B11R1.34 CNCc1cc(cc(c1)Br)C 7a_106832991635_100012348363 [1,2,0,0,0,0|0,0,1]=4 12063 B11R1.34 CNCc1cc(cc(c1)C)C 207a_100102657272_100000745632 [1,2,0,0,0,0|0,0,1]=4 12064 B11R1.34 CNCc1cc(cc(c1)C)C 2230a_100020591340_200000210301 [1,2,0,0,0,0|0,0,1]=4 12065 B11R1.34 CNCc1cc(cc(c1)C)C 2230a_106832991635_100000181317 [1,2,0,0,0,0|0,0,1]=4 12066 B11R1.34 CNCc1cc(cc(c1)C)C 270004a_106832991635_100000745632 [1,2,0,0,0,0|0,0,1]=4 12067 B11R1.34 CNCc1cc(cc(c1)C)C 34a_100020591340_200000210301 [1,2,0,0,0,0|0,0,1]=4 12068 B11R1.34 CNCc1cc(cc(c1)C)C 34a_100102657272_100000181317 [1,2,0,0,0,0|0,0,1]=4 12069 B11R1.34 CNCc1cc(cc(c1)C)C 7a_106832991635_100000181317 [1,2,0,0,0,0|0,0,1]=4 12070 B11R1.34 CNCc1cc(cc(c1)Cl)C 207a_100102657272_100000684525 [1,2,0,0,0,0|0,0,1]=4 12071 B11R1.34 CNCc1cc(cc(c1)Cl)C 270004a_106832991635_100000684525 [1,2,0,0,0,0|0,0,1]=4 12072 B11R1.34 CNCc1cc(cc(c1)F)C 207a_100102657272_100011217087 [1,2,0,0,0,0|0,0,1]=4 12073 B11R1.34 CNCc1cc(cc(c1)F)C 2230a_100011830484_200000210301 [1,2,0,0,0,0|0,0,1]=4 12074 B11R1.34 CNCc1cc(cc(c1)F)C 2230a_106832991635_100011219130 [1,2,0,0,0,0|0,0,1]=4 12075 B11R1.34 CNCc1cc(cc(c1)F)C 270004a_106832991635_100011217087 [1,2,0,0,0,0|0,0,1]=4 12076 B11R1.34 CNCc1cc(cc(c1)F)C 34a_100011830484_200000210301 [1,2,0,0,0,0|0,0,1]=4 12077 B11R1.34 CNCc1cc(cc(c1)F)C 34a_100102657272_100011219130 [1,2,0,0,0,0|0,0,1]=4 12078 B11R1.34 CNCc1cc(cc(c1)F)C 7a_106832991635_100011219130 [1,2,0,0,0,0|0,0,1]=4 12079 B11R1.34 CNCc1cc(cc(c1)O)C 207a_100102657272_100009853434 [1,2,0,0,0,0|0,0,1]=4 12080 B11R1.34 CNCc1cc(cc(c1)O)C 270004a_106832991635_100009853434 [1,2,0,0,0,0|0,0,1]=4 12081 B11R1.34 COCc1cc(cc(c1)Br)C 34a_100000720511_200000210301 [1,2,0,0,0,0|0,0,1]=4 12082 B11R1.34 COCc1cc(cc(c1)Br)C 34a_100138415774_100012348363 [1,2,0,0,0,0|0,0,1]=4 12083 B11R1.34 COCc1cc(cc(c1)Br)C 7a_100000720511_200000210301 [1,2,0,0,0,0|0,0,1]=4 12084 B11R1.34 COCc1cc(cc(c1)C)C 34a_100011216556_200000210301 [1,2,0,0,0,0|0,0,1]=4 12085 B11R1.34 COCc1cc(cc(c1)C)C 34a_100138415774_100000181317 [1,2,0,0,0,0|0,0,1]=4 12086 B11R1.34 COCc1cc(cc(c1)C)C 7a_100011216556_200000210301 [1,2,0,0,0,0|0,0,1]=4 12087 B11R1.34 COCc1cc(cc(c1)F)C 34a_100011217934_200000210301 [1,2,0,0,0,0|0,0,1]=4 12088 B11R1.34 COCc1cc(cc(c1)F)C 34a_100138415774_100011219130 [1,2,0,0,0,0|0,0,1]=4 12089 B11R1.34 COCc1cc(cc(c1)F)C 7a_100011217934_200000210301 [1,2,0,0,0,0|0,0,1]=4 12090 B11R1.34 CSCc1cc(cc(c1)Br)C 62a_100012348363_200000210301 [1,2,0,0,0,0|0,0,1]=4 12091 B11R1.34 CSCc1cc(cc(c1)Br)C 62a_200000210301_100012348363 [1,2,0,0,0,0|0,0,1]=4 12092 B11R1.34 CSCc1cc(cc(c1)C)C 62a_100000181317_200000210301 [1,2,0,0,0,0|0,0,1]=4 12093 B11R1.34 CSCc1cc(cc(c1)C)C 62a_200000210301_100000181317 [1,2,0,0,0,0|0,0,1]=4 12094 B11R1.34 CSCc1cc(cc(c1)F)C 62a_100011219130_200000210301 [1,2,0,0,0,0|0,0,1]=4 12095 B11R1.34 CSCc1cc(cc(c1)F)C 62a_200000210301_100011219130 [1,2,0,0,0,0|0,0,1]=4 12096 B11R1.34 Cc1cc(cc(c1)CN[13CH3])C 2230a_100020591340_200025704644 [1,2,0,0,0,0|0,0,1]=4 12097 B11R1.34 Cc1cc(cc(c1)CN[13CH3])C 34a_100020591340_200025704644 [1,2,0,0,0,0|0,0,1]=4 12098 B11R1.34 Cc1cc(cc(c1)CN[13CH3])F 2230a_100011830484_200025704644 [1,2,0,0,0,0|0,0,1]=4 12099 B11R1.34 Cc1cc(cc(c1)CN[13CH3])F 34a_100011830484_200025704644 [1,2,0,0,0,0|0,0,1]=4 12100 B11R1.34 Cc1cc(cc(c1)CO[13CH3])Br 34a_100000720511_200025704644 [1,2,0,0,0,0|0,0,1]=4 12101 B11R1.34 Cc1cc(cc(c1)CO[13CH3])Br 7a_100000720511_200025704644 [1,2,0,0,0,0|0,0,1]=4 12102 B11R1.34 Cc1cc(cc(c1)CO[13CH3])C 34a_100011216556_200025704644 [1,2,0,0,0,0|0,0,1]=4 12103 B11R1.34 Cc1cc(cc(c1)CO[13CH3])C 7a_100011216556_200025704644 [1,2,0,0,0,0|0,0,1]=4 12104 B11R1.34 Cc1cc(cc(c1)CO[13CH3])F 34a_100011217934_200025704644 [1,2,0,0,0,0|0,0,1]=4 12105 B11R1.34 Cc1cc(cc(c1)CO[13CH3])F 7a_100011217934_200025704644 [1,2,0,0,0,0|0,0,1]=4 12106 B11R1.34 Cc1cc(cc(c1)CS[13CH3])Br 62a_100012348363_200025704644 [1,2,0,0,0,0|0,0,1]=4 12107 B11R1.34 Cc1cc(cc(c1)CS[13CH3])Br 62a_200025704644_100012348363 [1,2,0,0,0,0|0,0,1]=4 12108 B11R1.34 Cc1cc(cc(c1)CS[13CH3])C 62a_100000181317_200025704644 [1,2,0,0,0,0|0,0,1]=4 12109 B11R1.34 Cc1cc(cc(c1)CS[13CH3])C 62a_200025704644_100000181317 [1,2,0,0,0,0|0,0,1]=4 12110 B11R1.34 Cc1cc(cc(c1)CS[13CH3])F 62a_100011219130_200025704644 [1,2,0,0,0,0|0,0,1]=4 12111 B11R1.34 Cc1cc(cc(c1)CS[13CH3])F 62a_200025704644_100011219130 [1,2,0,0,0,0|0,0,1]=4 12112 B11R1.34 Cc1cc(cc(c1)NCF)Br 34a_100000695972_100015361967 [1,2,0,0,0,0|1,0,0]=4 12113 B11R1.34 Cc1cc(cc(c1)NCF)Br 7a_100000695972_100015361967 [1,2,0,0,0,0|1,0,0]=4 12114 B11R1.34 Cc1cc(cc(c1)NCF)C 34a_100000210930_100015361967 [1,2,0,0,0,0|1,0,0]=4 12115 B11R1.34 Cc1cc(cc(c1)NCF)C 7a_100000210930_100015361967 [1,2,0,0,0,0|1,0,0]=4 12116 B11R1.34 Cc1cc(cc(c1)NCF)Cl 34a_100012022512_100015361967 [1,2,0,0,0,0|1,0,0]=4 12117 B11R1.34 Cc1cc(cc(c1)NCF)Cl 7a_100012022512_100015361967 [1,2,0,0,0,0|1,0,0]=4 12118 B11R1.34 Cc1cc(cc(c1)NCF)F 34a_100000742734_100015361967 [1,2,0,0,0,0|1,0,0]=4 12119 B11R1.34 Cc1cc(cc(c1)NCF)F 7a_100000742734_100015361967 [1,2,0,0,0,0|1,0,0]=4 12120 B11R1.34 Cc1cc(cc(c1)NCF)O 34a_100011995906_100015361967 [1,2,0,0,0,0|1,0,0]=4 12121 B11R1.34 Cc1cc(cc(c1)NCF)O 7a_100011995906_100015361967 [1,2,0,0,0,0|1,0,0]=4 12122 B11R1.34 Cc1cc(cc(c1)OCF)Br 34a_100011999630_100015361967 [1,2,0,0,0,0|1,0,0]=4 12123 B11R1.34 Cc1cc(cc(c1)OCF)Br 7a_100011999630_100015361967 [1,2,0,0,0,0|1,0,0]=4 12124 B11R1.34 Cc1cc(cc(c1)OCF)C 34a_100000210933_100015361967 [1,2,0,0,0,0|1,0,0]=4 12125 B11R1.34 Cc1cc(cc(c1)OCF)C 7a_100000210933_100015361967 [1,2,0,0,0,0|1,0,0]=4 12126 B11R1.34 Cc1cc(cc(c1)OCF)Cl 34a_100000087485_100015361967 [1,2,0,0,0,0|1,0,0]=4 12127 B11R1.34 Cc1cc(cc(c1)OCF)Cl 7a_100000087485_100015361967 [1,2,0,0,0,0|1,0,0]=4 12128 B11R1.34 Cc1cc(cc(c1)OCF)F 34a_100011830401_100015361967 [1,2,0,0,0,0|1,0,0]=4 12129 B11R1.34 Cc1cc(cc(c1)OCF)F 7a_100011830401_100015361967 [1,2,0,0,0,0|1,0,0]=4 12130 B11R1.34 Cc1cc(cc(c1)OCF)N 34a_100011995906_100015361967 [1,2,0,0,0,0|1,0,0]=4 12131 B11R1.34 Cc1cc(cc(c1)OCF)N 7a_100011995906_100015361967 [1,2,0,0,0,0|1,0,0]=4 12132 B11R1.34 Cc1cc(cc(c1)SCF)C 62a_100011215608_100015361967 [1,2,0,0,0,0|1,0,0]=4 12133 B11R1.34 Cc1cc(cc(c1)SCF)C 62a_100015361967_100011215608 [1,2,0,0,0,0|1,0,0]=4 12134 B11R1.34 Cc1cc(cc(c1)SCF)Cl 62a_100010172791_100015361967 [1,2,0,0,0,0|1,0,0]=4 12135 B11R1.34 Cc1cc(cc(c1)SCF)Cl 62a_100015361967_100010172791 [1,2,0,0,0,0|1,0,0]=4 12136 B11R1.34 Cc1cc(cc(c1)SCF)F 62a_100011356977_100015361967 [1,2,0,0,0,0|1,0,0]=4 12137 B11R1.34 Cc1cc(cc(c1)SCF)F 62a_100015361967_100011356977 [1,2,0,0,0,0|1,0,0]=4 12138 B11R1.34 Cc1cc(cc(c1)SCF)N 62a_100000695972_100015361967 [1,2,0,0,0,0|1,0,0]=4 12139 B11R1.34 Cc1cc(cc(c1)SCF)N 62a_100015361967_100000695972 [1,2,0,0,0,0|1,0,0]=4 12140 B11R1.34 Cc1cc(cc(c1)SCF)O 62a_100015361967_100011999630 [1,2,0,0,0,0|1,0,0]=4 12141 B11R1.24 C#CCNc1cccc(c1)C 2230a_100000188690_100000038162 [1,2,0,0,0,0|1,0,0]=4 12142 B11R1.24 C#CCNc1cccc(c1)C 34a_100000188690_100000184674 [1,2,0,0,0,0|1,0,0]=4 12143 B11R1.24 C#CCOc1cccc(c1)C 34a_100000210337_100000184674 [1,2,0,0,0,0|1,0,0]=4 12144 B11R1.24 C#CCOc1cccc(c1)C 7a_100000210337_100000038162 [1,2,0,0,0,0|1,0,0]=4 12145 B11R1.24 C#CCSc1cccc(c1)C 62a_100000038162_100011215228 [1,2,0,0,0,0|1,0,0]=4 12146 B11R1.24 C=CCNc1cccc(c1)C 2230a_100000188690_100000210623 [1,2,0,0,0,0|0,0,1]=4 12147 B11R1.24 C=CCNc1cccc(c1)C 34a_100000188690_100015514636 [1,2,0,0,0,0|0,0,1]=4 12148 B11R1.24 C=CCOc1cccc(c1)C 34a_100000210337_100015514636 [1,2,0,0,0,0|0,0,1]=4 12149 B11R1.24 C=CCOc1cccc(c1)C 7a_100000210337_100015514636 [1,2,0,0,0,0|0,0,1]=4 12150 B11R1.24 C=CCSc1cccc(c1)C 62a_100000210623_100011215228 [1,2,0,0,0,0|0,0,1]=4 12151 B11R1.24 C=CCSc1cccc(c1)C 62a_100011215228_100000210623 [1,2,0,0,0,0|0,0,1]=4 12152 B11R1.24 CC=NNc1cc(ccn1)C 4a_100000746014_200000210099 [1,2,0,0,0,0|1,0,0]=4 12153 B11R1.24 CC=NNc1cccc(c1)Br 4a_100000217339_200000210099 [1,2,0,0,0,0|1,0,0]=4 12154 B11R1.24 CC=NNc1cccc(c1)C 4a_100000681630_200000210099 [1,2,0,0,0,0|0,0,0]=3 12155 B11R1.24 CC=NNc1cccc(c1)Cl 4a_100000184277_200000210099 [1,2,0,0,0,0|1,0,0]=4 12156 B11R1.24 CC=NNc1cccc(c1)F 4a_100000745080_200000210099 [1,2,0,0,0,0|1,0,0]=4 12157 B11R1.24 CC=NNc1cccc(c1)I 4a_100020605690_200000210099 [1,2,0,0,0,0|1,0,0]=4 12158 B11R1.24 CC=NNc1cccc(n1)C 4a_100011363444_200000210099 [1,2,0,0,0,0|1,0,0]=4 12159 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [1,2,0,0,0,0|0,0,1]=4 12160 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [1,2,0,0,0,0|0,0,1]=4 12161 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [1,2,0,0,0,0|0,0,1]=4 12162 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [1,2,0,0,0,0|0,0,1]=4 12163 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [1,2,0,0,0,0|0,0,1]=4 12164 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [1,2,0,0,0,0|0,0,1]=4 12165 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [1,2,0,0,0,0|0,0,1]=4 12166 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [1,2,0,0,0,0|0,0,1]=4 12167 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [1,2,0,0,0,0|0,0,1]=4 12168 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [1,2,0,0,0,0|0,0,1]=4 12169 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [1,2,0,0,0,0|0,0,1]=4 12170 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [1,2,0,0,0,0|0,0,1]=4 12171 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [1,2,0,0,0,0|0,0,1]=4 12172 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [1,2,0,0,0,0|0,0,1]=4 12173 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [1,2,0,0,0,0|0,0,1]=4 12174 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [1,2,0,0,0,0|0,0,1]=4 12175 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [1,2,0,0,0,0|0,0,1]=4 12176 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [1,2,0,0,0,0|0,0,1]=4 12177 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [1,2,0,0,0,0|0,0,1]=4 12178 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [1,2,0,0,0,0|0,0,1]=4 12179 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [1,2,0,0,0,0|0,0,1]=4 12180 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [1,2,0,0,0,0|0,0,1]=4 12181 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [1,2,0,0,0,0|0,0,1]=4 12182 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [1,2,0,0,0,0|0,0,1]=4 12183 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [1,2,0,0,0,0|0,0,1]=4 12184 B11R1.24 COCNc1cccc(c1)C 2230a_100000188690_100000766300 [1,2,0,0,0,0|0,0,1]=4 12185 B11R1.24 COCSc1cccc(c1)C 62a_100000766300_100011215228 [1,2,0,0,0,0|0,0,1]=4 12186 B11R1.24 COCSc1cccc(c1)C 62a_100011215228_100000766300 [1,2,0,0,0,0|0,0,1]=4 12187 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [1,2,0,0,0,0|0,0,1]=4 12188 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [1,2,0,0,0,0|0,0,1]=4 12189 B11R1.24 CSCNc1cccc(c1)C 2230a_100000188690_100011218213 [1,2,0,0,0,0|0,0,1]=4 12190 B11R1.24 CSCNc1cccc(c1)C 34a_100000188690_100011218213 [1,2,0,0,0,0|0,0,1]=4 12191 B11R1.24 CSCOc1cccc(c1)C 34a_100000210337_100011218213 [1,2,0,0,0,0|0,0,1]=4 12192 B11R1.24 CSCSc1cccc(c1)C 62a_100011215228_100011218213 [1,2,0,0,0,0|0,0,1]=4 12193 B11R1.24 CSCSc1cccc(c1)C 62a_100011218213_100011215228 [1,2,0,0,0,0|0,0,1]=4 12194 B11R1.24 C[n+]1cccc(c1)SCC=O 62a_100009996589_200015260668 [1,2,0,0,0,0|1,0,0]=4 12195 B11R1.24 C[n+]1cccc(c1)SCC=O 62a_200015260668_100009996589 [1,2,0,0,0,0|1,0,0]=4 12196 B11R1.24 Cc1cc(ccn1)OCC=O 34a_100000688365_200009817547 [1,2,0,0,0,0|1,0,0]=4 12197 B11R1.24 Cc1cc(ccn1)SCC=O 62a_100000758586_200015260668 [1,2,0,0,0,0|1,0,0]=4 12198 B11R1.24 Cc1cc(ccn1)SCC=O 62a_200015260668_100000758586 [1,2,0,0,0,0|1,0,0]=4 12199 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [1,2,0,0,0,0|0,0,1]=4 12200 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [1,2,0,0,0,0|0,0,1]=4 12201 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [1,2,0,0,0,0|0,0,1]=4 12202 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [1,2,0,0,0,0|0,0,1]=4 12203 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [1,2,0,0,0,0|0,0,1]=4 12204 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [1,2,0,0,0,0|0,0,1]=4 12205 B11R1.24 Cc1cccc(c1)CNCF 34a_100000185548_100015361967 [1,2,0,0,0,0|0,0,1]=4 12206 B11R1.24 Cc1cccc(c1)COCF 34a_100011217746_100015361967 [1,2,0,0,0,0|0,0,1]=4 12207 B11R1.24 Cc1cccc(c1)COCF 7a_100011217746_100015361967 [1,2,0,0,0,0|0,0,1]=4 12208 B11R1.24 Cc1cccc(c1)CSCF 62a_100000211840_100015361967 [1,2,0,0,0,0|0,0,1]=4 12209 B11R1.24 Cc1cccc(c1)CSCF 62a_100015361967_100000211840 [1,2,0,0,0,0|0,0,1]=4 12210 B11R1.24 Cc1cccc(c1)NCC#N 2230a_100000188690_100011215382 [1,2,0,0,0,0|1,0,0]=4 12211 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [1,2,0,0,0,0|0,0,0]=3 12212 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [1,2,0,0,0,0|0,0,0]=3 12213 B11R1.24 Cc1cccc(c1)NCCF 2230a_100000188690_100011217306 [1,2,0,0,0,0|0,0,1]=4 12214 B11R1.24 Cc1cccc(c1)NCCF 34a_100000188690_100011217306 [1,2,0,0,0,0|0,0,1]=4 12215 B11R1.24 Cc1cccc(c1)NCCO 2230a_100000188690_100000211926 [1,2,0,0,0,0|0,0,1]=4 12216 B11R1.24 Cc1cccc(c1)NCCO 34a_100000188690_100000211926 [1,2,0,0,0,0|0,0,1]=4 12217 B11R1.24 Cc1cccc(c1)OCC#N 7a_100000210337_100011215382 [1,2,0,0,0,0|1,0,0]=4 12218 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [1,2,0,0,0,0|0,0,0]=3 12219 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [1,2,0,0,0,0|0,0,0]=3 12220 B11R1.24 Cc1cccc(c1)OCCF 34a_100000210337_100011217306 [1,2,0,0,0,0|0,0,1]=4 12221 B11R1.24 Cc1cccc(c1)OCCF 7a_100000210337_100011217306 [1,2,0,0,0,0|0,0,1]=4 12222 B11R1.24 Cc1cccc(c1)OCCO 34a_100000210337_100000211926 [1,2,0,0,0,0|0,0,1]=4 12223 B11R1.24 Cc1cccc(c1)OCCO 7a_100000210337_100000211926 [1,2,0,0,0,0|0,0,1]=4 12224 B11R1.24 Cc1cccc(c1)SCC#N 62a_100011215228_100011215382 [1,2,0,0,0,0|1,0,0]=4 12225 B11R1.24 Cc1cccc(c1)SCC#N 62a_100011215382_100011215228 [1,2,0,0,0,0|1,0,0]=4 12226 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [1,2,0,0,0,0|0,0,0]=3 12227 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [1,2,0,0,0,0|0,0,0]=3 12228 B11R1.24 Cc1cccc(c1)SCCF 62a_100011215228_100011217306 [1,2,0,0,0,0|0,0,1]=4 12229 B11R1.24 Cc1cccc(c1)SCCF 62a_100011217306_100011215228 [1,2,0,0,0,0|0,0,1]=4 12230 B11R1.24 Cc1cccc(c1)SCCO 62a_100000211926_100011215228 [1,2,0,0,0,0|0,0,1]=4 12231 B11R1.24 Cc1cccc(c1)SCCO 62a_100011215228_100000211926 [1,2,0,0,0,0|0,0,1]=4 12232 B11R1.24 Cc1cccc(n1)SCC=O 62a_100000742759_200015260668 [1,2,0,0,0,0|1,0,0]=4 12233 B11R1.24 Cc1cccc(n1)SCC=O 62a_200015260668_100000742759 [1,2,0,0,0,0|1,0,0]=4 12234 B11R1.24 Cc1ccnc(c1)SCC=O 62a_100000750283_200015260668 [1,2,0,0,0,0|1,0,0]=4 12235 B11R1.24 Cc1ccnc(c1)SCC=O 62a_200015260668_100000750283 [1,2,0,0,0,0|1,0,0]=4 12236 B11R1.24 Cc1cncc(c1)OCC=O 34a_100011830280_200009817547 [1,2,0,0,0,0|1,0,0]=4 12237 B11R1.24 Cc1cncc(c1)OCC=O 7a_100011830280_200015260668 [1,2,0,0,0,0|1,0,0]=4 12238 B11R1.24 Cc1cncc(c1)SCC=O 62a_100000760492_200015260668 [1,2,0,0,0,0|1,0,0]=4 12239 B11R1.24 Cc1cncc(c1)SCC=O 62a_200015260668_100000760492 [1,2,0,0,0,0|1,0,0]=4 12240 B11R1.24 Nc1cccc(c1)OCC=O 34a_100000210217_200009817547 [1,2,0,0,0,0|1,0,0]=4 12241 B11R1.24 Nc1cccc(c1)SCC=O 62a_100000210019_200015260668 [1,2,0,0,0,0|1,0,0]=4 12242 B11R1.24 Nc1cccc(c1)SCC=O 62a_200015260668_100000210019 [1,2,0,0,0,0|1,0,0]=4 12243 B11R1.24 O=CCNc1cccc(c1)Br 34a_100000210019_200009817547 [1,2,0,0,0,0|1,0,0]=4 12244 B11R1.24 O=CCNc1cccc(c1)Cl 34a_100000185859_200009817547 [1,2,0,0,0,0|1,0,0]=4 12245 B11R1.24 O=CCNc1cccc(c1)F 34a_100000210047_200009817547 [1,2,0,0,0,0|1,0,0]=4 12246 B11R1.24 O=CCNc1cccc(c1)I 34a_100000211102_200009817547 [1,2,0,0,0,0|1,0,0]=4 12247 B11R1.24 O=CCNc1cccc(c1)O 34a_100000210217_200009817547 [1,2,0,0,0,0|1,0,0]=4 12248 B11R1.24 O=CCOc1cccc(c1)Br 34a_100000210342_200009817547 [1,2,0,0,0,0|1,0,0]=4 12249 B11R1.24 O=CCOc1cccc(c1)Br 7a_100000210342_200015260668 [1,2,0,0,0,0|1,0,0]=4 12250 B11R1.24 O=CCOc1cccc(c1)Cl 34a_100000210295_200009817547 [1,2,0,0,0,0|1,0,0]=4 12251 B11R1.24 O=CCOc1cccc(c1)Cl 7a_100000210295_200015260668 [1,2,0,0,0,0|1,0,0]=4 12252 B11R1.24 O=CCOc1cccc(c1)F 34a_100000210426_200009817547 [1,2,0,0,0,0|1,0,0]=4 12253 B11R1.24 O=CCOc1cccc(c1)F 7a_100000210426_200015260668 [1,2,0,0,0,0|1,0,0]=4 12254 B11R1.24 O=CCOc1cccc(c1)I 34a_100000211634_200009817547 [1,2,0,0,0,0|1,0,0]=4 12255 B11R1.24 O=CCOc1cccc(c1)I 7a_100000211634_200015260668 [1,2,0,0,0,0|1,0,0]=4 12256 B11R1.24 O=CCSc1cccc(c1)Br 62a_100000691529_200015260668 [1,2,0,0,0,0|1,0,0]=4 12257 B11R1.24 O=CCSc1cccc(c1)Br 62a_200015260668_100000691529 [1,2,0,0,0,0|1,0,0]=4 12258 B11R1.24 O=CCSc1cccc(c1)Cl 62a_100000699651_200015260668 [1,2,0,0,0,0|1,0,0]=4 12259 B11R1.24 O=CCSc1cccc(c1)Cl 62a_200015260668_100000699651 [1,2,0,0,0,0|1,0,0]=4 12260 B11R1.24 O=CCSc1cccc(c1)F 62a_100000685547_200015260668 [1,2,0,0,0,0|1,0,0]=4 12261 B11R1.24 O=CCSc1cccc(c1)F 62a_200015260668_100000685547 [1,2,0,0,0,0|1,0,0]=4 12262 B11R1.24 O=CCSc1cccc(c1)O 62a_200015260668_100000211634 [1,2,0,0,0,0|1,0,0]=4 12263 B11R1.24 O=CCSc1cccc(c1)[S] 62a_114929384022_200015260668 [1,2,0,0,0,0|1,0,0]=4 12264 B11R1.24 O=CCSc1cccc(c1)[S] 62a_200015260668_114929384022 [1,2,0,0,0,0|1,0,0]=4 12265 B11R1.182 C=C=Cc1cc(ccc1Br)C 271570a_100015277604_100012353751 [1,2,0,0,0,0|0,0,1]=4 12266 B11R1.182 C=C=Cc1cc(ccc1C)C 271570a_100015277604_100000210833 [1,2,0,0,0,0|0,0,1]=4 12267 B11R1.182 C=C=Cc1cc(ccc1Cl)C 271570a_100015277604_100012356289 [1,2,0,0,0,0|0,0,1]=4 12268 B11R1.182 C=C=Cc1cc(ccc1F)C 271570a_100015277604_100000736223 [1,2,0,0,0,0|0,0,1]=4 12269 B11R1.182 C=C=Cc1cc(ccc1N)C 271570a_100015277604_100000210942 [1,2,0,0,0,0|0,0,1]=4 12270 B11R1.182 C=C=Cc1cc(ccc1O)C 271570a_100015277604_100000765521 [1,2,0,0,0,0|0,0,1]=4 12271 B11R1.182 CC=Cc1cc(ccc1Br)Br 271570a_100016259895_100011483371 [1,2,0,0,0,0|1,0,0]=4 12272 B11R1.182 CC=Cc1cc(ccc1Br)C 271570a_100016259895_100012353751 [1,2,0,0,0,0|0,0,0]=3 12273 B11R1.182 CC=Cc1cc(ccc1Br)Cl 271570a_100016259895_100012339723 [1,2,0,0,0,0|1,0,0]=4 12274 B11R1.182 CC=Cc1cc(ccc1Br)F 271570a_100016259895_100011217576 [1,2,0,0,0,0|1,0,0]=4 12275 B11R1.182 CC=Cc1cc(ccc1Br)N 271570a_100016259895_100000750459 [1,2,0,0,0,0|1,0,0]=4 12276 B11R1.182 CC=Cc1cc(ccc1Br)O 271570a_100016259895_100012339312 [1,2,0,0,0,0|1,0,0]=4 12277 B11R1.182 CC=Cc1cc(ccc1C)Br 271570a_100016259895_100011344865 [1,2,0,0,0,0|1,0,0]=4 12278 B11R1.182 CC=Cc1cc(ccc1C)C 271570a_100016259895_100000210833 [1,2,0,0,0,0|0,0,0]=3 12279 B11R1.182 CC=Cc1cc(ccc1C)Cl 271570a_100016259895_100011263213 [1,2,0,0,0,0|1,0,0]=4 12280 B11R1.182 CC=Cc1cc(ccc1C)F 271570a_100016259895_100011218078 [1,2,0,0,0,0|1,0,0]=4 12281 B11R1.182 CC=Cc1cc(ccc1C)N 271570a_100016259895_100000736455 [1,2,0,0,0,0|1,0,0]=4 12282 B11R1.182 CC=Cc1cc(ccc1C)O 271570a_100016259895_100011380479 [1,2,0,0,0,0|1,0,0]=4 12283 B11R1.182 CC=Cc1cc(ccc1Cl)Br 271570a_100016259895_100011772130 [1,2,0,0,0,0|1,0,0]=4 12284 B11R1.182 CC=Cc1cc(ccc1Cl)C 271570a_100016259895_100012356289 [1,2,0,0,0,0|0,0,0]=3 12285 B11R1.182 CC=Cc1cc(ccc1Cl)Cl 271570a_100016259895_100000707729 [1,2,0,0,0,0|1,0,0]=4 12286 B11R1.182 CC=Cc1cc(ccc1Cl)F 271570a_100016259895_100011217299 [1,2,0,0,0,0|1,0,0]=4 12287 B11R1.182 CC=Cc1cc(ccc1Cl)N 271570a_100016259895_100012360549 [1,2,0,0,0,0|1,0,0]=4 12288 B11R1.182 CC=Cc1cc(ccc1Cl)O 271570a_100016259895_100000049588 [1,2,0,0,0,0|1,0,0]=4 12289 B11R1.182 CC=Cc1cc(ccc1F)Br 271570a_100016259895_100011217312 [1,2,0,0,0,0|1,0,0]=4 12290 B11R1.182 CC=Cc1cc(ccc1F)C 271570a_100016259895_100000736223 [1,2,0,0,0,0|0,0,0]=3 12291 B11R1.182 CC=Cc1cc(ccc1F)Cl 271570a_100016259895_100011218116 [1,2,0,0,0,0|1,0,0]=4 12292 B11R1.182 CC=Cc1cc(ccc1F)F 271570a_100016259895_100000750033 [1,2,0,0,0,0|1,0,0]=4 12293 B11R1.182 CC=Cc1cc(ccc1F)N 271570a_100016259895_100000760356 [1,2,0,0,0,0|1,0,0]=4 12294 B11R1.182 CC=Cc1cc(ccc1F)O 271570a_100016259895_100000693481 [1,2,0,0,0,0|1,0,0]=4 12295 B11R1.182 CC=Cc1cc(ccc1N)Br 271570a_100016259895_100000187925 [1,2,0,0,0,0|1,0,0]=4 12296 B11R1.182 CC=Cc1cc(ccc1N)C 271570a_100016259895_100000210942 [1,2,0,0,0,0|0,0,0]=3 12297 B11R1.182 CC=Cc1cc(ccc1N)Cl 271570a_100016259895_100000761889 [1,2,0,0,0,0|1,0,0]=4 12298 B11R1.182 CC=Cc1cc(ccc1N)F 271570a_100016259895_100000760547 [1,2,0,0,0,0|1,0,0]=4 12299 B11R1.182 CC=Cc1cc(ccc1N)N 271570a_100016259895_100011534242 [1,2,0,0,0,0|1,0,0]=4 12300 B11R1.182 CC=Cc1cc(ccc1N)O 271570a_100016259895_100012001276 [1,2,0,0,0,0|1,0,0]=4 12301 B11R1.182 CC=Cc1cc(ccc1O)Br 271570a_100016259895_100012355227 [1,2,0,0,0,0|1,0,0]=4 12302 B11R1.182 CC=Cc1cc(ccc1O)C 271570a_100016259895_100000765521 [1,2,0,0,0,0|0,0,0]=3 12303 B11R1.182 CC=Cc1cc(ccc1O)Cl 271570a_100016259895_100011356953 [1,2,0,0,0,0|1,0,0]=4 12304 B11R1.182 CC=Cc1cc(ccc1O)F 271570a_100016259895_100000211999 [1,2,0,0,0,0|1,0,0]=4 12305 B11R1.182 CC=Cc1cc(ccc1O)N 271570a_100016259895_100011534360 [1,2,0,0,0,0|1,0,0]=4 12306 B11R1.182 CC=Cc1cc(ccc1O)O 271570a_100016259895_100009813629 [1,2,0,0,0,0|1,0,0]=4 12307 B11R1.182 CC=Cc1cc(cnc1C)C 271570a_100016259895_100009817436 [1,2,0,0,0,0|1,0,0]=4 12308 B11R1.182 CC=Cc1cc(cnc1Cl)C 271570a_100016259895_100010210167 [1,2,0,0,0,0|1,0,0]=4 12309 B11R1.182 CC=Cc1cc(cnc1F)C 271570a_100016259895_100000049784 [1,2,0,0,0,0|1,0,0]=4 12310 B11R1.182 CC=Cc1cc(cnc1N)C 271570a_100016259895_100000049664 [1,2,0,0,0,0|1,0,0]=4 12311 B11R1.182 CC=Cc1cc(cnc1O)C 271570a_100016259895_100000049931 [1,2,0,0,0,0|1,0,0]=4 12312 B11R1.182 CC=Cc1cc(ncc1C)C 271570a_100016259895_100009862788 [1,2,0,0,0,0|1,0,0]=4 12313 B11R1.182 CC=Cc1cc(ncc1F)C 271570a_100016259895_100009867690 [1,2,0,0,0,0|1,0,0]=4 12314 B11R1.182 CC=Cc1cc(ncc1O)C 271570a_100016259895_100009843476 [1,2,0,0,0,0|1,0,0]=4 12315 B11R1.182 CC=Cc1cn(ccc1=O)C 271570a_100016259895_100010750718 [1,2,0,0,0,0|1,0,0]=4 12316 B11R1.182 CC=Cc1nc(ccc1C)C 271570a_100016259895_100009854376 [1,2,0,0,0,0|1,0,0]=4 12317 B11R1.182 CC=Cc1nc(ccc1F)C 271570a_100016259895_100009817602 [1,2,0,0,0,0|1,0,0]=4 12318 B11R1.182 CC=Cc1nc(ccc1N)C 271570a_100016259895_100000685570 [1,2,0,0,0,0|1,0,0]=4 12319 B11R1.182 CC=Cc1nc(ccc1O)C 271570a_100016259895_100000702858 [1,2,0,0,0,0|1,0,0]=4 12320 B11R1.182 CCNc1cc(ccc1Br)C 34a_100000745044_100000210202 [1,2,0,0,0,0|0,0,1]=4 12321 B11R1.182 CCNc1cc(ccc1C)C 2230a_100000185781_100000210202 [1,2,0,0,0,0|0,0,1]=4 12322 B11R1.182 CCNc1cc(ccc1C)C 34a_100000185781_100000210202 [1,2,0,0,0,0|0,0,1]=4 12323 B11R1.182 CCNc1cc(ccc1C)C 7a_100000185781_100000210202 [1,2,0,0,0,0|0,0,1]=4 12324 B11R1.182 CCNc1cc(ccc1Cl)C 34a_100011215360_100000210202 [1,2,0,0,0,0|0,0,1]=4 12325 B11R1.182 CCNc1cc(ccc1F)C 34a_100000211285_100000210202 [1,2,0,0,0,0|0,0,1]=4 12326 B11R1.182 CCNc1cc(ccc1I)C 34a_100011216686_100000210202 [1,2,0,0,0,0|0,0,1]=4 12327 B11R1.182 CCNc1cc(ccc1O)C 34a_100011215204_100000210202 [1,2,0,0,0,0|0,0,1]=4 12328 B11R1.182 CCOc1cc(ccc1Br)C 34a_100012002257_100000210202 [1,2,0,0,0,0|0,0,1]=4 12329 B11R1.182 CCOc1cc(ccc1Br)C 7a_100012002257_100000210202 [1,2,0,0,0,0|0,0,1]=4 12330 B11R1.182 CCOc1cc(ccc1C)C 34a_100000210931_100000210202 [1,2,0,0,0,0|0,0,1]=4 12331 B11R1.182 CCOc1cc(ccc1C)C 7a_100000210931_100000210202 [1,2,0,0,0,0|0,0,1]=4 12332 B11R1.182 CCOc1cc(ccc1Cl)C 34a_100000211493_100000210202 [1,2,0,0,0,0|0,0,1]=4 12333 B11R1.182 CCOc1cc(ccc1Cl)C 7a_100000211493_100000210202 [1,2,0,0,0,0|0,0,1]=4 12334 B11R1.182 CCOc1cc(ccc1F)C 34a_100000759540_100000210202 [1,2,0,0,0,0|0,0,1]=4 12335 B11R1.182 CCOc1cc(ccc1F)C 7a_100000759540_100000210202 [1,2,0,0,0,0|0,0,1]=4 12336 B11R1.182 CCOc1cc(ccc1N)C 34a_100000211527_100000210202 [1,2,0,0,0,0|0,0,1]=4 12337 B11R1.182 CCOc1cc(ccc1N)C 7a_100000211527_100000210202 [1,2,0,0,0,0|0,0,1]=4 12338 B11R1.182 CCOc1cc(ccc1O)C 271570a_203496583355_200010713166 [1,2,0,0,0,0|0,0,1]=4 12339 B11R1.182 CCSc1cc(ccc1Br)C 62a_100000210202_100012353751 [1,2,0,0,0,0|0,0,1]=4 12340 B11R1.182 CCSc1cc(ccc1Br)C 62a_100012353751_100000210202 [1,2,0,0,0,0|0,0,1]=4 12341 B11R1.182 CCSc1cc(ccc1C)C 62a_100000210202_100000210833 [1,2,0,0,0,0|0,0,1]=4 12342 B11R1.182 CCSc1cc(ccc1C)C 62a_100000210833_100000210202 [1,2,0,0,0,0|0,0,1]=4 12343 B11R1.182 CCSc1cc(ccc1Cl)C 62a_100000210202_100012356289 [1,2,0,0,0,0|0,0,1]=4 12344 B11R1.182 CCSc1cc(ccc1Cl)C 62a_100012356289_100000210202 [1,2,0,0,0,0|0,0,1]=4 12345 B11R1.182 CCSc1cc(ccc1F)C 62a_100000210202_100000736223 [1,2,0,0,0,0|0,0,1]=4 12346 B11R1.182 CCSc1cc(ccc1F)C 62a_100000736223_100000210202 [1,2,0,0,0,0|0,0,1]=4 12347 B11R1.182 CCSc1cc(ccc1N)C 62a_100000210202_100011356834 [1,2,0,0,0,0|0,0,1]=4 12348 B11R1.182 CCSc1cc(ccc1N)C 62a_100011356834_100000210202 [1,2,0,0,0,0|0,0,1]=4 12349 B11R1.182 CCSc1cc(ccc1O)C 62a_100000210202_100000765521 [1,2,0,0,0,0|0,0,1]=4 12350 B11R1.182 CCSc1cc(ccc1O)C 62a_100000765521_100000210202 [1,2,0,0,0,0|0,0,1]=4 12351 B11R1.182 CNCc1cc(ccc1Br)C 207a_100102657272_100011551863 [1,2,0,0,0,0|0,0,1]=4 12352 B11R1.182 CNCc1cc(ccc1Br)C 26a_100102657272_100012002257 [1,2,0,0,0,0|0,0,1]=4 12353 B11R1.182 CNCc1cc(ccc1Br)C 270004a_106832991635_100011551863 [1,2,0,0,0,0|0,0,1]=4 12354 B11R1.182 CNCc1cc(ccc1C)C 207a_100102657272_100000211343 [1,2,0,0,0,0|0,0,1]=4 12355 B11R1.182 CNCc1cc(ccc1C)C 2230a_106832991635_100000184699 [1,2,0,0,0,0|0,0,1]=4 12356 B11R1.182 CNCc1cc(ccc1C)C 270004a_106832991635_100000211343 [1,2,0,0,0,0|0,0,1]=4 12357 B11R1.182 CNCc1cc(ccc1C)C 34a_100000174964_200000210301 [1,2,0,0,0,0|0,0,1]=4 12358 B11R1.182 CNCc1cc(ccc1C)C 34a_100102657272_100000184699 [1,2,0,0,0,0|0,0,1]=4 12359 B11R1.182 CNCc1cc(ccc1C)C 7a_106832991635_100000184699 [1,2,0,0,0,0|0,0,1]=4 12360 B11R1.182 CNCc1cc(ccc1Cl)C 207a_100102657272_100011551332 [1,2,0,0,0,0|0,0,1]=4 12361 B11R1.182 CNCc1cc(ccc1Cl)C 2230a_100025705715_200000210301 [1,2,0,0,0,0|0,0,1]=4 12362 B11R1.182 CNCc1cc(ccc1Cl)C 2230a_106832991635_100009871730 [1,2,0,0,0,0|0,0,1]=4 12363 B11R1.182 CNCc1cc(ccc1Cl)C 26a_100102657272_100000211493 [1,2,0,0,0,0|0,0,1]=4 12364 B11R1.182 CNCc1cc(ccc1Cl)C 270004a_106832991635_100011551332 [1,2,0,0,0,0|0,0,1]=4 12365 B11R1.182 CNCc1cc(ccc1Cl)C 34a_100025705715_200000210301 [1,2,0,0,0,0|0,0,1]=4 12366 B11R1.182 CNCc1cc(ccc1Cl)C 34a_100102657272_100009871730 [1,2,0,0,0,0|0,0,1]=4 12367 B11R1.182 CNCc1cc(ccc1Cl)C 7a_106832991635_100009871730 [1,2,0,0,0,0|0,0,1]=4 12368 B11R1.182 CNCc1cc(ccc1F)C 207a_100102657272_100000756917 [1,2,0,0,0,0|0,0,1]=4 12369 B11R1.182 CNCc1cc(ccc1F)C 2230a_106832991635_100011260760 [1,2,0,0,0,0|0,0,1]=4 12370 B11R1.182 CNCc1cc(ccc1F)C 270004a_106832991635_100000756917 [1,2,0,0,0,0|0,0,1]=4 12371 B11R1.182 CNCc1cc(ccc1F)C 34a_100102657272_100011260760 [1,2,0,0,0,0|0,0,1]=4 12372 B11R1.182 CNCc1cc(ccc1F)C 34a_100102693586_200000210301 [1,2,0,0,0,0|0,0,1]=4 12373 B11R1.182 CNCc1cc(ccc1F)C 7a_106832991635_100011260760 [1,2,0,0,0,0|0,0,1]=4 12374 B11R1.182 CNCc1cc(ccc1I)C 207a_100102657272_100010150105 [1,2,0,0,0,0|0,0,1]=4 12375 B11R1.182 CNCc1cc(ccc1I)C 270004a_106832991635_100010150105 [1,2,0,0,0,0|0,0,1]=4 12376 B11R1.182 COCc1cc(ccc1Br)C 34a_100012361352_200000210301 [1,2,0,0,0,0|0,0,1]=4 12377 B11R1.182 COCc1cc(ccc1Br)C 7a_100012361352_200000210301 [1,2,0,0,0,0|0,0,1]=4 12378 B11R1.182 COCc1cc(ccc1C)C 34a_100138415774_100000184699 [1,2,0,0,0,0|0,0,1]=4 12379 B11R1.182 COCc1cc(ccc1C)C 34a_200011215349_200000210301 [1,2,0,0,0,0|0,0,1]=4 12380 B11R1.182 COCc1cc(ccc1C)C 7a_200011215349_200000210301 [1,2,0,0,0,0|0,0,1]=4 12381 B11R1.182 COCc1cc(ccc1Cl)C 34a_100009878994_200000210301 [1,2,0,0,0,0|0,0,1]=4 12382 B11R1.182 COCc1cc(ccc1Cl)C 34a_100138415774_100009871730 [1,2,0,0,0,0|0,0,1]=4 12383 B11R1.182 COCc1cc(ccc1Cl)C 7a_100009878994_200000210301 [1,2,0,0,0,0|0,0,1]=4 12384 B11R1.182 COCc1cc(ccc1F)C 34a_100011692775_200000210301 [1,2,0,0,0,0|0,0,1]=4 12385 B11R1.182 COCc1cc(ccc1F)C 34a_100138415774_100011260760 [1,2,0,0,0,0|0,0,1]=4 12386 B11R1.182 COCc1cc(ccc1F)C 7a_100011692775_200000210301 [1,2,0,0,0,0|0,0,1]=4 12387 B11R1.182 COCc1cc(ccc1N)C 34a_100011215565_200000210301 [1,2,0,0,0,0|0,0,1]=4 12388 B11R1.182 COCc1cc(ccc1N)C 7a_100011215565_200000210301 [1,2,0,0,0,0|0,0,1]=4 12389 B11R1.182 CSCc1cc(ccc1C)C 62a_100000184699_200000210301 [1,2,0,0,0,0|0,0,1]=4 12390 B11R1.182 CSCc1cc(ccc1C)C 62a_200000210301_100000184699 [1,2,0,0,0,0|0,0,1]=4 12391 B11R1.182 CSCc1cc(ccc1Cl)C 62a_100009871730_200000210301 [1,2,0,0,0,0|0,0,1]=4 12392 B11R1.182 CSCc1cc(ccc1Cl)C 62a_200000210301_100009871730 [1,2,0,0,0,0|0,0,1]=4 12393 B11R1.182 CSCc1cc(ccc1F)C 62a_100011260760_200000210301 [1,2,0,0,0,0|0,0,1]=4 12394 B11R1.182 CSCc1cc(ccc1F)C 62a_200000210301_100011260760 [1,2,0,0,0,0|0,0,1]=4 12395 B11R1.182 Cc1ccc(c(c1)CN[13CH3])C 34a_100000174964_200025704644 [1,2,0,0,0,0|0,0,1]=4 12396 B11R1.182 Cc1ccc(c(c1)CN[13CH3])Cl 2230a_100025705715_200025704644 [1,2,0,0,0,0|0,0,1]=4 12397 B11R1.182 Cc1ccc(c(c1)CN[13CH3])Cl 34a_100025705715_200025704644 [1,2,0,0,0,0|0,0,1]=4 12398 B11R1.182 Cc1ccc(c(c1)CN[13CH3])F 34a_100102693586_200025704644 [1,2,0,0,0,0|0,0,1]=4 12399 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Br 34a_100012361352_200025704644 [1,2,0,0,0,0|0,0,1]=4 12400 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Br 7a_100012361352_200025704644 [1,2,0,0,0,0|0,0,1]=4 12401 B11R1.182 Cc1ccc(c(c1)CO[13CH3])C 34a_200011215349_200025704644 [1,2,0,0,0,0|0,0,1]=4 12402 B11R1.182 Cc1ccc(c(c1)CO[13CH3])C 7a_200011215349_200025704644 [1,2,0,0,0,0|0,0,1]=4 12403 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Cl 34a_100009878994_200025704644 [1,2,0,0,0,0|0,0,1]=4 12404 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Cl 7a_100009878994_200025704644 [1,2,0,0,0,0|0,0,1]=4 12405 B11R1.182 Cc1ccc(c(c1)CO[13CH3])F 34a_100011692775_200025704644 [1,2,0,0,0,0|0,0,1]=4 12406 B11R1.182 Cc1ccc(c(c1)CO[13CH3])F 7a_100011692775_200025704644 [1,2,0,0,0,0|0,0,1]=4 12407 B11R1.182 Cc1ccc(c(c1)CO[13CH3])N 34a_100011215565_200025704644 [1,2,0,0,0,0|0,0,1]=4 12408 B11R1.182 Cc1ccc(c(c1)CO[13CH3])N 7a_100011215565_200025704644 [1,2,0,0,0,0|0,0,1]=4 12409 B11R1.182 Cc1ccc(c(c1)CS[13CH3])C 62a_100000184699_200025704644 [1,2,0,0,0,0|0,0,1]=4 12410 B11R1.182 Cc1ccc(c(c1)CS[13CH3])C 62a_200025704644_100000184699 [1,2,0,0,0,0|0,0,1]=4 12411 B11R1.182 Cc1ccc(c(c1)CS[13CH3])Cl 62a_100009871730_200025704644 [1,2,0,0,0,0|0,0,1]=4 12412 B11R1.182 Cc1ccc(c(c1)CS[13CH3])Cl 62a_200025704644_100009871730 [1,2,0,0,0,0|0,0,1]=4 12413 B11R1.182 Cc1ccc(c(c1)CS[13CH3])F 62a_100011260760_200025704644 [1,2,0,0,0,0|0,0,1]=4 12414 B11R1.182 Cc1ccc(c(c1)CS[13CH3])F 62a_200025704644_100011260760 [1,2,0,0,0,0|0,0,1]=4 12415 B11R1.182 Cc1ccc(c(c1)NCF)Br 34a_100000745044_100015361967 [1,2,0,0,0,0|1,0,0]=4 12416 B11R1.182 Cc1ccc(c(c1)NCF)C 34a_100000185781_100015361967 [1,2,0,0,0,0|1,0,0]=4 12417 B11R1.182 Cc1ccc(c(c1)NCF)C 7a_100000185781_100015361967 [1,2,0,0,0,0|1,0,0]=4 12418 B11R1.182 Cc1ccc(c(c1)NCF)Cl 34a_100011215360_100015361967 [1,2,0,0,0,0|1,0,0]=4 12419 B11R1.182 Cc1ccc(c(c1)NCF)F 34a_100000211285_100015361967 [1,2,0,0,0,0|1,0,0]=4 12420 B11R1.182 Cc1ccc(c(c1)NCF)I 34a_100011216686_100015361967 [1,2,0,0,0,0|1,0,0]=4 12421 B11R1.182 Cc1ccc(c(c1)NCF)O 34a_100011215204_100015361967 [1,2,0,0,0,0|1,0,0]=4 12422 B11R1.182 Cc1ccc(c(c1)OCF)Br 34a_100012002257_100015361967 [1,2,0,0,0,0|1,0,0]=4 12423 B11R1.182 Cc1ccc(c(c1)OCF)Br 7a_100012002257_100015361967 [1,2,0,0,0,0|1,0,0]=4 12424 B11R1.182 Cc1ccc(c(c1)OCF)C 34a_100000210931_100015361967 [1,2,0,0,0,0|1,0,0]=4 12425 B11R1.182 Cc1ccc(c(c1)OCF)C 7a_100000210931_100015361967 [1,2,0,0,0,0|1,0,0]=4 12426 B11R1.182 Cc1ccc(c(c1)OCF)Cl 34a_100000211493_100015361967 [1,2,0,0,0,0|1,0,0]=4 12427 B11R1.182 Cc1ccc(c(c1)OCF)Cl 7a_100000211493_100015361967 [1,2,0,0,0,0|1,0,0]=4 12428 B11R1.182 Cc1ccc(c(c1)OCF)F 34a_100000759540_100015361967 [1,2,0,0,0,0|1,0,0]=4 12429 B11R1.182 Cc1ccc(c(c1)OCF)F 7a_100000759540_100015361967 [1,2,0,0,0,0|1,0,0]=4 12430 B11R1.182 Cc1ccc(c(c1)OCF)N 34a_100000211527_100015361967 [1,2,0,0,0,0|1,0,0]=4 12431 B11R1.182 Cc1ccc(c(c1)OCF)N 7a_100000211527_100015361967 [1,2,0,0,0,0|1,0,0]=4 12432 B11R1.182 Cc1ccc(c(c1)SCF)Br 62a_100012353751_100015361967 [1,2,0,0,0,0|1,0,0]=4 12433 B11R1.182 Cc1ccc(c(c1)SCF)Br 62a_100015361967_100012353751 [1,2,0,0,0,0|1,0,0]=4 12434 B11R1.182 Cc1ccc(c(c1)SCF)C 62a_100000210833_100015361967 [1,2,0,0,0,0|1,0,0]=4 12435 B11R1.182 Cc1ccc(c(c1)SCF)C 62a_100015361967_100000210833 [1,2,0,0,0,0|1,0,0]=4 12436 B11R1.182 Cc1ccc(c(c1)SCF)Cl 62a_100012356289_100015361967 [1,2,0,0,0,0|1,0,0]=4 12437 B11R1.182 Cc1ccc(c(c1)SCF)Cl 62a_100015361967_100012356289 [1,2,0,0,0,0|1,0,0]=4 12438 B11R1.182 Cc1ccc(c(c1)SCF)F 62a_100000736223_100015361967 [1,2,0,0,0,0|1,0,0]=4 12439 B11R1.182 Cc1ccc(c(c1)SCF)F 62a_100015361967_100000736223 [1,2,0,0,0,0|1,0,0]=4 12440 B11R1.182 Cc1ccc(c(c1)SCF)N 62a_100011356834_100015361967 [1,2,0,0,0,0|1,0,0]=4 12441 B11R1.182 Cc1ccc(c(c1)SCF)N 62a_100015361967_100011356834 [1,2,0,0,0,0|1,0,0]=4 12442 B11R1.182 Cc1ccc(c(c1)SCF)O 62a_100000765521_100015361967 [1,2,0,0,0,0|1,0,0]=4 12443 B11R1.182 Cc1ccc(c(c1)SCF)O 62a_100015361967_100000765521 [1,2,0,0,0,0|1,0,0]=4 12444 B11R1.189 C=C=Cc1cccc(c1)C=O 271570a_100015277604_100000014684 [1,2,0,0,0,0|0,0,1]=4 12445 B11R1.189 C=C=Cc1cccc(c1)CC 271570a_100015277604_100000684523 [1,2,0,0,0,0|0,0,1]=4 12446 B11R1.189 C=C=Cc1cccc(c1)CF 271570a_100015277604_100010878472 [1,2,0,0,0,0|0,0,1]=4 12447 B11R1.189 C=C=Cc1cccc(c1)CN 271570a_100015277604_100000106179 [1,2,0,0,0,0|0,0,1]=4 12448 B11R1.189 C=C=Cc1cccc(c1)CO 271570a_100015277604_100000687537 [1,2,0,0,0,0|0,0,1]=4 12449 B11R1.189 C=C=Cc1cccc(c1)NC 271570a_100015277604_100000219648 [1,2,0,0,0,0|0,0,1]=4 12450 B11R1.189 C=C=Cc1cccc(c1)OC 271570a_100015277604_100000170001 [1,2,0,0,0,0|0,0,1]=4 12451 B11R1.189 C=C=Cc1cccc(c1)SC 271570a_100015277604_100011215954 [1,2,0,0,0,0|0,0,1]=4 12452 B11R1.189 C=CCc1cccc(c1)C=C 271570a_100011290941_100009816576 [1,2,0,0,0,0|0,0,1]=4 12453 B11R1.189 C=CCc1cccc(c1)SC 62a_100009816576_200000210301 [1,2,0,0,0,0|0,0,1]=4 12454 B11R1.189 C=CCc1cccc(c1)SC 62a_200000210301_100009816576 [1,2,0,0,0,0|0,0,1]=4 12455 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_100009816576_200025704644 [1,2,0,0,0,0|0,0,1]=4 12456 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_200025704644_100009816576 [1,2,0,0,0,0|0,0,1]=4 12457 B11R1.189 C=Cc1cccc(c1)C#CC 271570a_100011290941_200009843338 [1,2,0,0,0,0|0,0,1]=4 12458 B11R1.189 C=Cc1cccc(c1)CC#N 271570a_100011290941_100000034040 [1,2,0,0,0,0|0,0,1]=4 12459 B11R1.189 C=Cc1cccc(c1)CC=O 271570a_100011290941_200000698211 [1,2,0,0,0,0|0,0,1]=4 12460 B11R1.189 C=Cc1cccc(c1)CCC 271570a_100011290941_100000694964 [1,2,0,0,0,0|0,0,1]=4 12461 B11R1.189 C=Cc1cccc(c1)CCN 271570a_100011290941_100011207229 [1,2,0,0,0,0|0,0,1]=4 12462 B11R1.189 C=Cc1cccc(c1)CCO 271570a_100011290941_100011217444 [1,2,0,0,0,0|0,0,1]=4 12463 B11R1.189 C=Cc1cccc(c1)CNC 26a_100102657272_100011309434 [1,2,0,0,0,0|0,0,1]=4 12464 B11R1.189 C=Cc1cccc(c1)CNC 270004a_106832991635_100011218069 [1,2,0,0,0,0|0,0,1]=4 12465 B11R1.189 C=Cc1cccc(c1)CNC 271570a_100011290941_100000187585 [1,2,0,0,0,0|0,0,1]=4 12466 B11R1.189 C=Cc1cccc(c1)CNN 271570a_100011290941_100000686200 [1,2,0,0,0,0|0,0,1]=4 12467 B11R1.189 C=Cc1cccc(c1)COC 271570a_100011290941_100011493687 [1,2,0,0,0,0|0,0,1]=4 12468 B11R1.189 C=Cc1cccc(c1)NCC 271570a_100011290941_100000738899 [1,2,0,0,0,0|0,0,1]=4 12469 B11R1.189 C=Cc1cccc(c1)NCC 34a_100011827668_100000210202 [1,2,0,0,0,0|0,0,1]=4 12470 B11R1.189 C=Cc1cccc(c1)NCF 34a_100011827668_100015361967 [1,2,0,0,0,0|0,0,1]=4 12471 B11R1.189 C=Cc1cccc(c1)OCC 271570a_100011290941_100000170002 [1,2,0,0,0,0|0,0,1]=4 12472 B11R1.189 C=Cc1cccc(c1)OCC 34a_100011309434_100000210202 [1,2,0,0,0,0|0,0,1]=4 12473 B11R1.189 C=Cc1cccc(c1)OCC 7a_100011309434_100000210202 [1,2,0,0,0,0|0,0,1]=4 12474 B11R1.189 C=Cc1cccc(c1)OCF 34a_100011309434_100015361967 [1,2,0,0,0,0|0,0,1]=4 12475 B11R1.189 C=Cc1cccc(c1)OCF 7a_100011309434_100015361967 [1,2,0,0,0,0|0,0,1]=4 12476 B11R1.189 C=Cc1cccc(c1)SCC 271570a_100011290941_100000703699 [1,2,0,0,0,0|0,0,1]=4 12477 B11R1.189 C=Cc1cccc(c1)SCC 62a_100000210202_100011215241 [1,2,0,0,0,0|0,0,1]=4 12478 B11R1.189 C=Cc1cccc(c1)SCC 62a_100011215241_100000210202 [1,2,0,0,0,0|0,0,1]=4 12479 B11R1.189 C=Cc1cccc(c1)SCF 62a_100011215241_100015361967 [1,2,0,0,0,0|0,0,1]=4 12480 B11R1.189 C=Cc1cccc(c1)SCF 62a_100015361967_100011215241 [1,2,0,0,0,0|0,0,1]=4 12481 B11R1.189 CC#Cc1cccc(c1)SC 62a_200000210301_200009843338 [1,2,0,0,0,0|0,0,1]=4 12482 B11R1.189 CC#Cc1cccc(c1)S[13CH3] 62a_200025704644_200009843338 [1,2,0,0,0,0|0,0,1]=4 12483 B11R1.189 CC=Cc1cc(ccn1)C=O 271570a_100016259895_100011290808 [1,2,0,0,0,0|1,0,0]=4 12484 B11R1.189 CC=Cc1cc(ccn1)CC 271570a_100016259895_100009817561 [1,2,0,0,0,0|1,0,0]=4 12485 B11R1.189 CC=Cc1cc(ccn1)CO 271570a_100016259895_100009814636 [1,2,0,0,0,0|1,0,0]=4 12486 B11R1.189 CC=Cc1cc(ccn1)NC 271570a_100016259895_100009869472 [1,2,0,0,0,0|1,0,0]=4 12487 B11R1.189 CC=Cc1cc(ccn1)OC 271570a_100016259895_100011216251 [1,2,0,0,0,0|1,0,0]=4 12488 B11R1.189 CC=Cc1cc(ccn1)SC 271570a_100016259895_100010883326 [1,2,0,0,0,0|1,0,0]=4 12489 B11R1.189 CC=Cc1cccc(c1)C#N 271570a_100016259895_100000189340 [1,2,0,0,0,0|0,0,1]=4 12490 B11R1.189 CC=Cc1cccc(c1)C=O 271570a_100016259895_100000014684 [1,2,0,0,0,0|0,0,0]=3 12491 B11R1.189 CC=Cc1cccc(c1)CC 271570a_100016259895_100000684523 [1,2,0,0,0,0|0,0,0]=3 12492 B11R1.189 CC=Cc1cccc(c1)CF 271570a_100016259895_100010878472 [1,2,0,0,0,0|0,0,0]=3 12493 B11R1.189 CC=Cc1cccc(c1)CN 271570a_100016259895_100000106179 [1,2,0,0,0,0|0,0,0]=3 12494 B11R1.189 CC=Cc1cccc(c1)CO 271570a_100016259895_100000687537 [1,2,0,0,0,0|0,0,0]=3 12495 B11R1.189 CC=Cc1cccc(c1)NC 271570a_100016259895_100000219648 [1,2,0,0,0,0|0,0,0]=3 12496 B11R1.189 CC=Cc1cccc(c1)NN 271570a_100016259895_100000217339 [1,2,0,0,0,0|1,0,0]=4 12497 B11R1.189 CC=Cc1cccc(c1)OC 271570a_100016259895_100000170001 [1,2,0,0,0,0|0,0,0]=3 12498 B11R1.189 CC=Cc1cccc(c1)SC 271570a_100016259895_100011215954 [1,2,0,0,0,0|0,0,0]=3 12499 B11R1.189 CC=Cc1cccc(n1)C=O 271570a_100016259895_100000688028 [1,2,0,0,0,0|1,0,0]=4 12500 B11R1.189 CC=Cc1cccc(n1)CC 271570a_100016259895_100009856026 [1,2,0,0,0,0|1,0,0]=4 12501 B11R1.189 CC=Cc1cccc(n1)CN 271570a_100016259895_100016990191 [1,2,0,0,0,0|1,0,0]=4 12502 B11R1.189 CC=Cc1cccc(n1)CO 271570a_100016259895_100000694195 [1,2,0,0,0,0|1,0,0]=4 12503 B11R1.189 CC=Cc1cccc(n1)NC 271570a_100016259895_100000703281 [1,2,0,0,0,0|1,0,0]=4 12504 B11R1.189 CC=Cc1cccc(n1)OC 271570a_100016259895_100000760917 [1,2,0,0,0,0|1,0,0]=4 12505 B11R1.189 CC=Cc1cccc(n1)SC 271570a_100016259895_100011960944 [1,2,0,0,0,0|1,0,0]=4 12506 B11R1.189 CC=Cc1ccnc(c1)C=O 271570a_100016259895_100011998288 [1,2,0,0,0,0|1,0,0]=4 12507 B11R1.189 CC=Cc1ccnc(c1)CC 271570a_100016259895_100009820011 [1,2,0,0,0,0|1,0,0]=4 12508 B11R1.189 CC=Cc1ccnc(c1)CN 271570a_100016259895_100000085674 [1,2,0,0,0,0|1,0,0]=4 12509 B11R1.189 CC=Cc1ccnc(c1)CO 271570a_100016259895_100009819072 [1,2,0,0,0,0|1,0,0]=4 12510 B11R1.189 CC=Cc1ccnc(c1)NC 271570a_100016259895_100009819592 [1,2,0,0,0,0|1,0,0]=4 12511 B11R1.189 CC=Cc1ccnc(c1)OC 271570a_100016259895_100000117307 [1,2,0,0,0,0|1,0,0]=4 12512 B11R1.189 CC=Cc1cncc(c1)C=O 271570a_100016259895_100000687066 [1,2,0,0,0,0|1,0,0]=4 12513 B11R1.189 CC=Cc1cncc(c1)CC 271570a_100016259895_200009819073 [1,2,0,0,0,0|1,0,0]=4 12514 B11R1.189 CC=Cc1cncc(c1)CN 271570a_100016259895_100011249555 [1,2,0,0,0,0|1,0,0]=4 12515 B11R1.189 CC=Cc1cncc(c1)CO 271570a_100016259895_100011259137 [1,2,0,0,0,0|1,0,0]=4 12516 B11R1.189 CC=Cc1cncc(c1)NC 271570a_100016259895_100012184536 [1,2,0,0,0,0|1,0,0]=4 12517 B11R1.189 CC=Cc1cncc(c1)OC 271570a_100016259895_100000684773 [1,2,0,0,0,0|1,0,0]=4 12518 B11R1.189 CC=Cc1cncc(c1)SC 271570a_100016259895_100009816972 [1,2,0,0,0,0|1,0,0]=4 12519 B11R1.189 CCCc1cccc(c1)OC 34a_100000039106_200000210301 [1,2,0,0,0,0|0,0,1]=4 12520 B11R1.189 CCCc1cccc(c1)OC 7a_100000039106_200000210301 [1,2,0,0,0,0|0,0,1]=4 12521 B11R1.189 CCCc1cccc(c1)O[13CH3] 34a_100000039106_200025704644 [1,2,0,0,0,0|0,0,1]=4 12522 B11R1.189 CCCc1cccc(c1)O[13CH3] 7a_100000039106_200025704644 [1,2,0,0,0,0|0,0,1]=4 12523 B11R1.189 CCCc1cccc(c1)SC 62a_100000694964_200000210301 [1,2,0,0,0,0|0,0,1]=4 12524 B11R1.189 CCCc1cccc(c1)SC 62a_200000210301_100000694964 [1,2,0,0,0,0|0,0,1]=4 12525 B11R1.189 CCCc1cccc(c1)S[13CH3] 62a_100000694964_200025704644 [1,2,0,0,0,0|0,0,1]=4 12526 B11R1.189 CCCc1cccc(c1)S[13CH3] 62a_200025704644_100000694964 [1,2,0,0,0,0|0,0,1]=4 12527 B11R1.189 CCNc1cccc(c1)CC 2230a_100000211250_100000210202 [1,2,0,0,0,0|0,0,1]=4 12528 B11R1.189 CCNc1cccc(c1)CC 34a_100000211250_100000210202 [1,2,0,0,0,0|0,0,1]=4 12529 B11R1.189 CCNc1cccc(c1)CC 7a_100000211250_100000210202 [1,2,0,0,0,0|0,0,1]=4 12530 B11R1.189 CCNc1cccc(c1)CF 2230a_100000126320_100000210202 [1,2,0,0,0,0|0,0,1]=4 12531 B11R1.189 CCNc1cccc(c1)CF 34a_100000126320_100000210202 [1,2,0,0,0,0|0,0,1]=4 12532 B11R1.189 CCNc1cccc(c1)CF 7a_100000126320_100000210202 [1,2,0,0,0,0|0,0,1]=4 12533 B11R1.189 CCNc1cccc(c1)CO 2230a_100000211919_100000210202 [1,2,0,0,0,0|0,0,1]=4 12534 B11R1.189 CCNc1cccc(c1)CO 34a_100000211919_100000210202 [1,2,0,0,0,0|0,0,1]=4 12535 B11R1.189 CCNc1cccc(c1)OC 34a_100000210024_100000210202 [1,2,0,0,0,0|0,0,1]=4 12536 B11R1.189 CCNc1cccc(c1)OC 34a_100000717746_200000210301 [1,2,0,0,0,0|0,0,1]=4 12537 B11R1.189 CCNc1cccc(c1)OC 7a_100000717746_200000210301 [1,2,0,0,0,0|0,0,1]=4 12538 B11R1.189 CCNc1cccc(c1)O[13CH3] 34a_100000717746_200025704644 [1,2,0,0,0,0|0,0,1]=4 12539 B11R1.189 CCNc1cccc(c1)O[13CH3] 7a_100000717746_200025704644 [1,2,0,0,0,0|0,0,1]=4 12540 B11R1.189 CCNc1cccc(c1)SC 2230a_100000210049_100000210202 [1,2,0,0,0,0|0,0,1]=4 12541 B11R1.189 CCNc1cccc(c1)SC 34a_100000210049_100000210202 [1,2,0,0,0,0|0,0,1]=4 12542 B11R1.189 CCNc1cccc(c1)SC 62a_200000210301_100000738899 [1,2,0,0,0,0|0,0,1]=4 12543 B11R1.189 CCNc1cccc(c1)S[13CH3] 62a_200025704644_100000738899 [1,2,0,0,0,0|0,0,1]=4 12544 B11R1.189 CCOc1cccc(c1)CBr 34a_100011660834_100000210202 [1,2,0,0,0,0|0,0,1]=4 12545 B11R1.189 CCOc1cccc(c1)CBr 7a_100011660834_100000210202 [1,2,0,0,0,0|0,0,1]=4 12546 B11R1.189 CCOc1cccc(c1)CC 34a_100000211550_100000210202 [1,2,0,0,0,0|0,0,1]=4 12547 B11R1.189 CCOc1cccc(c1)CC 7a_100000211550_100000210202 [1,2,0,0,0,0|0,0,1]=4 12548 B11R1.189 CCOc1cccc(c1)CCl 34a_100000084143_100000210202 [1,2,0,0,0,0|0,0,1]=4 12549 B11R1.189 CCOc1cccc(c1)CCl 7a_100000084143_100000210202 [1,2,0,0,0,0|0,0,1]=4 12550 B11R1.189 CCOc1cccc(c1)CN 34a_100000743036_100000210202 [1,2,0,0,0,0|0,0,1]=4 12551 B11R1.189 CCOc1cccc(c1)CO 34a_100011214949_100000210202 [1,2,0,0,0,0|0,0,1]=4 12552 B11R1.189 CCOc1cccc(c1)CO 7a_100011214949_100000210202 [1,2,0,0,0,0|0,0,1]=4 12553 B11R1.189 CCOc1cccc(c1)NC 2230a_100000742568_200000210301 [1,2,0,0,0,0|0,0,1]=4 12554 B11R1.189 CCOc1cccc(c1)NC 34a_100000742568_200000210301 [1,2,0,0,0,0|0,0,1]=4 12555 B11R1.189 CCOc1cccc(c1)NC 34a_100000756613_100000210202 [1,2,0,0,0,0|0,0,1]=4 12556 B11R1.189 CCOc1cccc(c1)NC 7a_100000756613_100000210202 [1,2,0,0,0,0|0,0,1]=4 12557 B11R1.189 CCOc1cccc(c1)N[13CH3] 2230a_100000742568_200025704644 [1,2,0,0,0,0|0,0,1]=4 12558 B11R1.189 CCOc1cccc(c1)N[13CH3] 34a_100000742568_200025704644 [1,2,0,0,0,0|0,0,1]=4 12559 B11R1.189 CCOc1cccc(c1)OC 34a_100000211255_100000210202 [1,2,0,0,0,0|0,0,1]=4 12560 B11R1.189 CCOc1cccc(c1)OC 34a_100011215941_200000210301 [1,2,0,0,0,0|0,0,1]=4 12561 B11R1.189 CCOc1cccc(c1)OC 7a_100000211255_100000210202 [1,2,0,0,0,0|0,0,1]=4 12562 B11R1.189 CCOc1cccc(c1)OC 7a_100011215941_200000210301 [1,2,0,0,0,0|0,0,1]=4 12563 B11R1.189 CCOc1cccc(c1)O[13CH3] 34a_100011215941_200025704644 [1,2,0,0,0,0|0,0,1]=4 12564 B11R1.189 CCOc1cccc(c1)O[13CH3] 7a_100011215941_200025704644 [1,2,0,0,0,0|0,0,1]=4 12565 B11R1.189 CCOc1cccc(c1)SC 34a_100011265683_100000210202 [1,2,0,0,0,0|0,0,1]=4 12566 B11R1.189 CCOc1cccc(c1)SC 62a_200000210301_100000170002 [1,2,0,0,0,0|0,0,1]=4 12567 B11R1.189 CCOc1cccc(c1)SC 7a_100011265683_100000210202 [1,2,0,0,0,0|0,0,1]=4 12568 B11R1.189 CCOc1cccc(c1)S[13CH3] 62a_200025704644_100000170002 [1,2,0,0,0,0|0,0,1]=4 12569 B11R1.189 CCSc1cc(ccn1)C=O 62a_100000210202_100011290808 [1,2,0,0,0,0|1,0,0]=4 12570 B11R1.189 CCSc1cc(ccn1)C=O 62a_100011290808_100000210202 [1,2,0,0,0,0|1,0,0]=4 12571 B11R1.189 CCSc1cccc(c1)C=O 62a_100000014684_100000210202 [1,2,0,0,0,0|0,0,0]=3 12572 B11R1.189 CCSc1cccc(c1)C=O 62a_100000210202_100000014684 [1,2,0,0,0,0|0,0,0]=3 12573 B11R1.189 CCSc1cccc(c1)CC 62a_100000210202_100011263222 [1,2,0,0,0,0|0,0,1]=4 12574 B11R1.189 CCSc1cccc(c1)CC 62a_100011263222_100000210202 [1,2,0,0,0,0|0,0,1]=4 12575 B11R1.189 CCSc1cccc(c1)CF 62a_100000210202_100010878472 [1,2,0,0,0,0|0,0,1]=4 12576 B11R1.189 CCSc1cccc(c1)CF 62a_100010878472_100000210202 [1,2,0,0,0,0|0,0,1]=4 12577 B11R1.189 CCSc1cccc(c1)CN 62a_100000106179_100000210202 [1,2,0,0,0,0|0,0,1]=4 12578 B11R1.189 CCSc1cccc(c1)CN 62a_100000210202_100000106179 [1,2,0,0,0,0|0,0,1]=4 12579 B11R1.189 CCSc1cccc(c1)CO 62a_100000210202_100000687537 [1,2,0,0,0,0|0,0,1]=4 12580 B11R1.189 CCSc1cccc(c1)CO 62a_100000687537_100000210202 [1,2,0,0,0,0|0,0,1]=4 12581 B11R1.189 CCSc1cccc(c1)NC 62a_100000210202_100000219648 [1,2,0,0,0,0|0,0,1]=4 12582 B11R1.189 CCSc1cccc(c1)NC 62a_100000219648_100000210202 [1,2,0,0,0,0|0,0,1]=4 12583 B11R1.189 CCSc1cccc(c1)OC 62a_100000210202_100000170001 [1,2,0,0,0,0|0,0,1]=4 12584 B11R1.189 CCSc1cccc(c1)SC 62a_100000210202_100011215954 [1,2,0,0,0,0|0,0,1]=4 12585 B11R1.189 CCSc1cccc(c1)SC 62a_100000703699_200000210301 [1,2,0,0,0,0|0,0,1]=4 12586 B11R1.189 CCSc1cccc(c1)SC 62a_100011215954_100000210202 [1,2,0,0,0,0|0,0,1]=4 12587 B11R1.189 CCSc1cccc(c1)SC 62a_200000210301_100000703699 [1,2,0,0,0,0|0,0,1]=4 12588 B11R1.189 CCSc1cccc(c1)S[13CH3] 62a_100000703699_200025704644 [1,2,0,0,0,0|0,0,1]=4 12589 B11R1.189 CCSc1cccc(c1)S[13CH3] 62a_200025704644_100000703699 [1,2,0,0,0,0|0,0,1]=4 12590 B11R1.189 CCSc1cccc(n1)C=O 62a_100000210202_100000688028 [1,2,0,0,0,0|1,0,0]=4 12591 B11R1.189 CCSc1cccc(n1)C=O 62a_100000688028_100000210202 [1,2,0,0,0,0|1,0,0]=4 12592 B11R1.189 CCSc1ccnc(c1)C=O 62a_100000210202_100011998288 [1,2,0,0,0,0|1,0,0]=4 12593 B11R1.189 CCSc1ccnc(c1)C=O 62a_100011998288_100000210202 [1,2,0,0,0,0|1,0,0]=4 12594 B11R1.189 CCSc1cncc(c1)C=O 62a_100000210202_100000687066 [1,2,0,0,0,0|1,0,0]=4 12595 B11R1.189 CCSc1cncc(c1)C=O 62a_100000687066_100000210202 [1,2,0,0,0,0|1,0,0]=4 12596 B11R1.189 CCc1cccc(c1)CNC 207a_100102657272_100011999841 [1,2,0,0,0,0|0,0,1]=4 12597 B11R1.189 CCc1cccc(c1)CNC 26a_100102657272_100000211550 [1,2,0,0,0,0|0,0,1]=4 12598 B11R1.189 CCc1cccc(c1)CNC 270004a_106832991635_100011999841 [1,2,0,0,0,0|0,0,1]=4 12599 B11R1.189 CCc1cccc(c1)NCF 34a_100000211250_100015361967 [1,2,0,0,0,0|0,0,1]=4 12600 B11R1.189 CCc1cccc(c1)NCF 7a_100000211250_100015361967 [1,2,0,0,0,0|0,0,1]=4 12601 B11R1.189 CCc1cccc(c1)OCF 34a_100000211550_100015361967 [1,2,0,0,0,0|0,0,1]=4 12602 B11R1.189 CCc1cccc(c1)OCF 7a_100000211550_100015361967 [1,2,0,0,0,0|0,0,1]=4 12603 B11R1.189 CCc1cccc(c1)SCF 62a_100011263222_100015361967 [1,2,0,0,0,0|0,0,1]=4 12604 B11R1.189 CCc1cccc(c1)SCF 62a_100015361967_100011263222 [1,2,0,0,0,0|0,0,1]=4 12605 B11R1.189 CNCc1cccc(c1)C=O 2230a_106832991635_100009816774 [1,2,0,0,0,0|0,0,0]=3 12606 B11R1.189 CNCc1cccc(c1)C=O 34a_100102657272_100009816774 [1,2,0,0,0,0|0,0,0]=3 12607 B11R1.189 CNCc1cccc(c1)C=O 7a_106832991635_100009816774 [1,2,0,0,0,0|0,0,0]=3 12608 B11R1.189 CNCc1cccc(c1)CBr 26a_100102657272_100011660834 [1,2,0,0,0,0|0,0,1]=4 12609 B11R1.189 CNCc1cccc(c1)CCl 26a_100102657272_100000084143 [1,2,0,0,0,0|0,0,1]=4 12610 B11R1.189 CNCc1cccc(c1)CO 207a_100102657272_200000050894 [1,2,0,0,0,0|0,0,1]=4 12611 B11R1.189 CNCc1cccc(c1)CO 2230a_100011269909_200000210301 [1,2,0,0,0,0|0,0,1]=4 12612 B11R1.189 CNCc1cccc(c1)CO 2230a_106832991635_100010188025 [1,2,0,0,0,0|0,0,1]=4 12613 B11R1.189 CNCc1cccc(c1)CO 26a_100102657272_100011214949 [1,2,0,0,0,0|0,0,1]=4 12614 B11R1.189 CNCc1cccc(c1)CO 270004a_106832991635_200000050894 [1,2,0,0,0,0|0,0,1]=4 12615 B11R1.189 CNCc1cccc(c1)CO 34a_100011269909_200000210301 [1,2,0,0,0,0|0,0,1]=4 12616 B11R1.189 CNCc1cccc(c1)CO 34a_100102657272_100010188025 [1,2,0,0,0,0|0,0,1]=4 12617 B11R1.189 CNCc1cccc(c1)CO 7a_106832991635_100010188025 [1,2,0,0,0,0|0,0,1]=4 12618 B11R1.189 CNCc1cccc(c1)OC 207a_100102657272_100000170238 [1,2,0,0,0,0|0,0,1]=4 12619 B11R1.189 CNCc1cccc(c1)OC 2230a_100000174954_200000210301 [1,2,0,0,0,0|0,0,1]=4 12620 B11R1.189 CNCc1cccc(c1)OC 2230a_106832991635_100000211672 [1,2,0,0,0,0|0,0,1]=4 12621 B11R1.189 CNCc1cccc(c1)OC 26a_100102657272_100000211255 [1,2,0,0,0,0|0,0,1]=4 12622 B11R1.189 CNCc1cccc(c1)OC 270004a_106832991635_100000170238 [1,2,0,0,0,0|0,0,1]=4 12623 B11R1.189 CNCc1cccc(c1)OC 34a_100000174954_200000210301 [1,2,0,0,0,0|0,0,1]=4 12624 B11R1.189 CNCc1cccc(c1)OC 34a_100000207540_200000210301 [1,2,0,0,0,0|0,0,1]=4 12625 B11R1.189 CNCc1cccc(c1)OC 34a_100102657272_100000688526 [1,2,0,0,0,0|0,0,1]=4 12626 B11R1.189 CNCc1cccc(c1)OC 7a_106832991635_100000211672 [1,2,0,0,0,0|0,0,1]=4 12627 B11R1.189 CNCc1cccc(c1)O[13CH3] 34a_100000207540_200025704644 [1,2,0,0,0,0|0,0,1]=4 12628 B11R1.189 CNCc1cccc(c1)SC 207a_100102657272_100011935093 [1,2,0,0,0,0|0,0,1]=4 12629 B11R1.189 CNCc1cccc(c1)SC 26a_100102657272_100011265683 [1,2,0,0,0,0|0,0,1]=4 12630 B11R1.189 CNCc1cccc(c1)SC 270004a_106832991635_100011935093 [1,2,0,0,0,0|0,0,1]=4 12631 B11R1.189 CNCc1cccc(c1)SC 62a_100000187585_200000210301 [1,2,0,0,0,0|0,0,1]=4 12632 B11R1.189 CNCc1cccc(c1)SC 62a_200000210301_100000187585 [1,2,0,0,0,0|0,0,1]=4 12633 B11R1.189 CNCc1cccc(c1)S[13CH3] 62a_100000187585_200025704644 [1,2,0,0,0,0|0,0,1]=4 12634 B11R1.189 CNCc1cccc(c1)S[13CH3] 62a_200025704644_100000187585 [1,2,0,0,0,0|0,0,1]=4 12635 B11R1.189 CNc1cccc(c1)CC#N 2230a_100000017804_200000210301 [1,2,0,0,0,0|1,0,0]=4 12636 B11R1.189 CNc1cccc(c1)CC#N 34a_100000017804_200000210301 [1,2,0,0,0,0|1,0,0]=4 12637 B11R1.189 CNc1cccc(c1)CCO 2230a_100011996697_200000210301 [1,2,0,0,0,0|0,0,1]=4 12638 B11R1.189 CNc1cccc(c1)CCO 34a_100011996697_200000210301 [1,2,0,0,0,0|0,0,1]=4 12639 B11R1.189 CNc1cccc(c1)COC 2230a_100000737370_200000210301 [1,2,0,0,0,0|0,0,1]=4 12640 B11R1.189 CNc1cccc(c1)COC 34a_100000737370_200000210301 [1,2,0,0,0,0|0,0,1]=4 12641 B11R1.189 CNc1cccc(c1)OCF 34a_100000756613_100015361967 [1,2,0,0,0,0|1,0,0]=4 12642 B11R1.189 CNc1cccc(c1)OCF 7a_100000756613_100015361967 [1,2,0,0,0,0|1,0,0]=4 12643 B11R1.189 CNc1cccc(c1)SCF 62a_100000219648_100015361967 [1,2,0,0,0,0|1,0,0]=4 12644 B11R1.189 CNc1cccc(c1)SCF 62a_100015361967_100000219648 [1,2,0,0,0,0|1,0,0]=4 12645 B11R1.189 COCc1cccc(c1)C=O 34a_100138415774_100009816774 [1,2,0,0,0,0|0,0,0]=3 12646 B11R1.189 COCc1cccc(c1)CBr 34a_100010188025_200000210301 [1,2,0,0,0,0|0,0,1]=4 12647 B11R1.189 COCc1cccc(c1)CBr 7a_100010188025_200000210301 [1,2,0,0,0,0|0,0,1]=4 12648 B11R1.189 COCc1cccc(c1)CCl 34a_200000090956_200000210301 [1,2,0,0,0,0|0,0,1]=4 12649 B11R1.189 COCc1cccc(c1)CCl 7a_200000090956_200000210301 [1,2,0,0,0,0|0,0,1]=4 12650 B11R1.189 COCc1cccc(c1)CN 34a_100011269909_200000210301 [1,2,0,0,0,0|0,0,1]=4 12651 B11R1.189 COCc1cccc(c1)CO 34a_100138415774_100010188025 [1,2,0,0,0,0|0,0,1]=4 12652 B11R1.189 COCc1cccc(c1)N[13CH3] 2230a_100000737370_200025704644 [1,2,0,0,0,0|0,0,1]=4 12653 B11R1.189 COCc1cccc(c1)N[13CH3] 34a_100000737370_200025704644 [1,2,0,0,0,0|0,0,1]=4 12654 B11R1.189 COCc1cccc(c1)OC 34a_100000198976_200000210301 [1,2,0,0,0,0|0,0,1]=4 12655 B11R1.189 COCc1cccc(c1)OC 34a_100138415774_100000688526 [1,2,0,0,0,0|0,0,1]=4 12656 B11R1.189 COCc1cccc(c1)SC 62a_100011493687_200000210301 [1,2,0,0,0,0|0,0,1]=4 12657 B11R1.189 COCc1cccc(c1)SC 62a_200000210301_100011493687 [1,2,0,0,0,0|0,0,1]=4 12658 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_100011493687_200025704644 [1,2,0,0,0,0|0,0,1]=4 12659 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_200025704644_100011493687 [1,2,0,0,0,0|0,0,1]=4 12660 B11R1.189 COc1cccc(c1)CC#N 7a_100000696680_200000210301 [1,2,0,0,0,0|1,0,0]=4 12661 B11R1.189 COc1cccc(c1)CCN 34a_100000747277_200000210301 [1,2,0,0,0,0|0,0,1]=4 12662 B11R1.189 COc1cccc(c1)CCO 34a_100011215281_200000210301 [1,2,0,0,0,0|0,0,1]=4 12663 B11R1.189 COc1cccc(c1)CCO 7a_100011215281_200000210301 [1,2,0,0,0,0|0,0,1]=4 12664 B11R1.189 COc1cccc(c1)CNN 34a_100000008902_200000210301 [1,2,0,0,0,0|1,0,0]=4 12665 B11R1.189 COc1cccc(c1)CN[13CH3] 2230a_100000174954_200025704644 [1,2,0,0,0,0|0,0,1]=4 12666 B11R1.189 COc1cccc(c1)CN[13CH3] 34a_100000174954_200025704644 [1,2,0,0,0,0|0,0,1]=4 12667 B11R1.189 COc1cccc(c1)CO[13CH3] 34a_100000198976_200025704644 [1,2,0,0,0,0|0,0,1]=4 12668 B11R1.189 COc1cccc(c1)CSC 62a_100000688526_200000210301 [1,2,0,0,0,0|0,0,1]=4 12669 B11R1.189 COc1cccc(c1)CSC 62a_200000210301_100000211672 [1,2,0,0,0,0|0,0,1]=4 12670 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_100000688526_200025704644 [1,2,0,0,0,0|0,0,1]=4 12671 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_200025704644_100000211672 [1,2,0,0,0,0|0,0,1]=4 12672 B11R1.189 COc1cccc(c1)NCF 34a_100000210024_100015361967 [1,2,0,0,0,0|1,0,0]=4 12673 B11R1.189 COc1cccc(c1)OCF 34a_100000211255_100015361967 [1,2,0,0,0,0|1,0,0]=4 12674 B11R1.189 COc1cccc(c1)OCF 7a_100000211255_100015361967 [1,2,0,0,0,0|1,0,0]=4 12675 B11R1.189 COc1cccc(c1)SCF 62a_100015361967_100000170001 [1,2,0,0,0,0|1,0,0]=4 12676 B11R1.189 CSCc1cccc(c1)C=O 62a_100009816774_200000210301 [1,2,0,0,0,0|0,0,0]=3 12677 B11R1.189 CSCc1cccc(c1)C=O 62a_200000210301_100009816774 [1,2,0,0,0,0|0,0,0]=3 12678 B11R1.189 CSCc1cccc(c1)CO 62a_100010188025_200000210301 [1,2,0,0,0,0|0,0,1]=4 12679 B11R1.189 CSCc1cccc(c1)CO 62a_200000210301_100010188025 [1,2,0,0,0,0|0,0,1]=4 12680 B11R1.189 CSc1cccc(c1)CC#N 62a_100000034040_200000210301 [1,2,0,0,0,0|1,0,0]=4 12681 B11R1.189 CSc1cccc(c1)CC#N 62a_200000210301_100000034040 [1,2,0,0,0,0|1,0,0]=4 12682 B11R1.189 CSc1cccc(c1)CC=O 62a_200000210301_200000698211 [1,2,0,0,0,0|0,0,0]=3 12683 B11R1.189 CSc1cccc(c1)CC=O 62a_200000698211_200000210301 [1,2,0,0,0,0|0,0,0]=3 12684 B11R1.189 CSc1cccc(c1)CCN 62a_100011207229_200000210301 [1,2,0,0,0,0|0,0,1]=4 12685 B11R1.189 CSc1cccc(c1)CCN 62a_200000210301_100011207229 [1,2,0,0,0,0|0,0,1]=4 12686 B11R1.189 CSc1cccc(c1)CCO 62a_100011217444_200000210301 [1,2,0,0,0,0|0,0,1]=4 12687 B11R1.189 CSc1cccc(c1)CCO 62a_200000210301_100011217444 [1,2,0,0,0,0|0,0,1]=4 12688 B11R1.189 CSc1cccc(c1)CNN 62a_100000686200_200000210301 [1,2,0,0,0,0|1,0,0]=4 12689 B11R1.189 CSc1cccc(c1)CNN 62a_200000210301_100000686200 [1,2,0,0,0,0|1,0,0]=4 12690 B11R1.189 CSc1cccc(c1)NCF 34a_100000210049_100015361967 [1,2,0,0,0,0|1,0,0]=4 12691 B11R1.189 CSc1cccc(c1)OCF 34a_100011265683_100015361967 [1,2,0,0,0,0|1,0,0]=4 12692 B11R1.189 CSc1cccc(c1)OCF 7a_100011265683_100015361967 [1,2,0,0,0,0|1,0,0]=4 12693 B11R1.189 CSc1cccc(c1)SCF 62a_100011215954_100015361967 [1,2,0,0,0,0|1,0,0]=4 12694 B11R1.189 CSc1cccc(c1)SCF 62a_100015361967_100011215954 [1,2,0,0,0,0|1,0,0]=4 12695 B11R1.189 FCNc1cccc(c1)CF 34a_100000126320_100015361967 [1,2,0,0,0,0|1,0,0]=4 12696 B11R1.189 FCNc1cccc(c1)CF 7a_100000126320_100015361967 [1,2,0,0,0,0|1,0,0]=4 12697 B11R1.189 FCOc1cccc(c1)CBr 34a_100011660834_100015361967 [1,2,0,0,0,0|1,0,0]=4 12698 B11R1.189 FCOc1cccc(c1)CBr 7a_100011660834_100015361967 [1,2,0,0,0,0|1,0,0]=4 12699 B11R1.189 FCOc1cccc(c1)CCl 34a_100000084143_100015361967 [1,2,0,0,0,0|1,0,0]=4 12700 B11R1.189 FCOc1cccc(c1)CCl 7a_100000084143_100015361967 [1,2,0,0,0,0|1,0,0]=4 12701 B11R1.189 FCSc1cccc(c1)CF 62a_100010878472_100015361967 [1,2,0,0,0,0|1,0,0]=4 12702 B11R1.189 FCSc1cccc(c1)CF 62a_100015361967_100010878472 [1,2,0,0,0,0|1,0,0]=4 12703 B11R1.189 NCc1cccc(c1)OCF 34a_100000743036_100015361967 [1,2,0,0,0,0|1,0,0]=4 12704 B11R1.189 NCc1cccc(c1)SCF 62a_100000106179_100015361967 [1,2,0,0,0,0|1,0,0]=4 12705 B11R1.189 NCc1cccc(c1)SCF 62a_100015361967_100000106179 [1,2,0,0,0,0|1,0,0]=4 12706 B11R1.189 O=Cc1cc(ccn1)SCF 62a_100011998288_100015361967 [1,2,0,0,0,0|1,0,0]=4 12707 B11R1.189 O=Cc1cc(ccn1)SCF 62a_100015361967_100011998288 [1,2,0,0,0,0|1,0,0]=4 12708 B11R1.189 O=Cc1cccc(c1)SCF 62a_100000014684_100015361967 [1,2,0,0,0,0|0,0,0]=3 12709 B11R1.189 O=Cc1cccc(c1)SCF 62a_100015361967_100000014684 [1,2,0,0,0,0|0,0,0]=3 12710 B11R1.189 O=Cc1cccc(n1)SCF 62a_100000688028_100015361967 [1,2,0,0,0,0|1,0,0]=4 12711 B11R1.189 O=Cc1cccc(n1)SCF 62a_100015361967_100000688028 [1,2,0,0,0,0|1,0,0]=4 12712 B11R1.189 O=Cc1ccnc(c1)SCF 62a_100011290808_100015361967 [1,2,0,0,0,0|1,0,0]=4 12713 B11R1.189 O=Cc1ccnc(c1)SCF 62a_100015361967_100011290808 [1,2,0,0,0,0|1,0,0]=4 12714 B11R1.189 O=Cc1cncc(c1)SCF 62a_100000687066_100015361967 [1,2,0,0,0,0|1,0,0]=4 12715 B11R1.189 O=Cc1cncc(c1)SCF 62a_100015361967_100000687066 [1,2,0,0,0,0|1,0,0]=4 12716 B11R1.189 OCc1cccc(c1)NCF 34a_100000211919_100015361967 [1,2,0,0,0,0|1,0,0]=4 12717 B11R1.189 OCc1cccc(c1)OCF 34a_100011214949_100015361967 [1,2,0,0,0,0|1,0,0]=4 12718 B11R1.189 OCc1cccc(c1)OCF 7a_100011214949_100015361967 [1,2,0,0,0,0|1,0,0]=4 12719 B11R1.189 OCc1cccc(c1)SCF 62a_100000687537_100015361967 [1,2,0,0,0,0|1,0,0]=4 12720 B11R1.189 OCc1cccc(c1)SCF 62a_100015361967_100000687537 [1,2,0,0,0,0|1,0,0]=4 12721 B11R1.189 [13CH3]NCc1cccc(c1)CO 2230a_100011269909_200025704644 [1,2,0,0,0,0|0,0,1]=4 12722 B11R1.189 [13CH3]NCc1cccc(c1)CO 34a_100011269909_200025704644 [1,2,0,0,0,0|0,0,1]=4 12723 B11R1.189 [13CH3]Nc1cccc(c1)CC#N 2230a_100000017804_200025704644 [1,2,0,0,0,0|1,0,0]=4 12724 B11R1.189 [13CH3]Nc1cccc(c1)CC#N 34a_100000017804_200025704644 [1,2,0,0,0,0|1,0,0]=4 12725 B11R1.189 [13CH3]Nc1cccc(c1)CCO 2230a_100011996697_200025704644 [1,2,0,0,0,0|0,0,1]=4 12726 B11R1.189 [13CH3]Nc1cccc(c1)CCO 34a_100011996697_200025704644 [1,2,0,0,0,0|0,0,1]=4 12727 B11R1.189 [13CH3]OCc1cccc(c1)CBr 34a_100010188025_200025704644 [1,2,0,0,0,0|0,0,1]=4 12728 B11R1.189 [13CH3]OCc1cccc(c1)CBr 7a_100010188025_200025704644 [1,2,0,0,0,0|0,0,1]=4 12729 B11R1.189 [13CH3]OCc1cccc(c1)CCl 34a_200000090956_200025704644 [1,2,0,0,0,0|0,0,1]=4 12730 B11R1.189 [13CH3]OCc1cccc(c1)CCl 7a_200000090956_200025704644 [1,2,0,0,0,0|0,0,1]=4 12731 B11R1.189 [13CH3]OCc1cccc(c1)CN 34a_100011269909_200025704644 [1,2,0,0,0,0|0,0,1]=4 12732 B11R1.189 [13CH3]Oc1cccc(c1)CC#N 7a_100000696680_200025704644 [1,2,0,0,0,0|1,0,0]=4 12733 B11R1.189 [13CH3]Oc1cccc(c1)CCN 34a_100000747277_200025704644 [1,2,0,0,0,0|0,0,1]=4 12734 B11R1.189 [13CH3]Oc1cccc(c1)CCO 34a_100011215281_200025704644 [1,2,0,0,0,0|0,0,1]=4 12735 B11R1.189 [13CH3]Oc1cccc(c1)CCO 7a_100011215281_200025704644 [1,2,0,0,0,0|0,0,1]=4 12736 B11R1.189 [13CH3]Oc1cccc(c1)CNN 34a_100000008902_200025704644 [1,2,0,0,0,0|1,0,0]=4 12737 B11R1.189 [13CH3]SCc1cccc(c1)C=O 62a_100009816774_200025704644 [1,2,0,0,0,0|0,0,0]=3 12738 B11R1.189 [13CH3]SCc1cccc(c1)C=O 62a_200025704644_100009816774 [1,2,0,0,0,0|0,0,0]=3 12739 B11R1.189 [13CH3]SCc1cccc(c1)CO 62a_100010188025_200025704644 [1,2,0,0,0,0|0,0,1]=4 12740 B11R1.189 [13CH3]SCc1cccc(c1)CO 62a_200025704644_100010188025 [1,2,0,0,0,0|0,0,1]=4 12741 B11R1.189 [13CH3]Sc1cccc(c1)CC#N 62a_100000034040_200025704644 [1,2,0,0,0,0|1,0,0]=4 12742 B11R1.189 [13CH3]Sc1cccc(c1)CC#N 62a_200025704644_100000034040 [1,2,0,0,0,0|1,0,0]=4 12743 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200000698211_200025704644 [1,2,0,0,0,0|0,0,0]=3 12744 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200025704644_200000698211 [1,2,0,0,0,0|0,0,0]=3 12745 B11R1.189 [13CH3]Sc1cccc(c1)CCN 62a_100011207229_200025704644 [1,2,0,0,0,0|0,0,1]=4 12746 B11R1.189 [13CH3]Sc1cccc(c1)CCN 62a_200025704644_100011207229 [1,2,0,0,0,0|0,0,1]=4 12747 B11R1.189 [13CH3]Sc1cccc(c1)CCO 62a_100011217444_200025704644 [1,2,0,0,0,0|0,0,1]=4 12748 B11R1.189 [13CH3]Sc1cccc(c1)CCO 62a_200025704644_100011217444 [1,2,0,0,0,0|0,0,1]=4 12749 B11R1.189 [13CH3]Sc1cccc(c1)CNN 62a_100000686200_200025704644 [1,2,0,0,0,0|1,0,0]=4 12750 B11R1.189 [13CH3]Sc1cccc(c1)CNN 62a_200025704644_100000686200 [1,2,0,0,0,0|1,0,0]=4 12751 B11R1.192 C=C=Cc1ccc(c(c1)C)Br 271570a_100015277604_100009813585 [1,2,0,0,0,0|0,0,1]=4 12752 B11R1.192 C=C=Cc1ccc(c(c1)C)C 271570a_100015277604_100011215607 [1,2,0,0,0,0|0,0,1]=4 12753 B11R1.192 C=C=Cc1ccc(c(c1)C)Cl 271570a_100015277604_100000049509 [1,2,0,0,0,0|0,0,1]=4 12754 B11R1.192 C=C=Cc1ccc(c(c1)C)F 271570a_100015277604_100011218330 [1,2,0,0,0,0|0,0,1]=4 12755 B11R1.192 C=C=Cc1ccc(c(c1)C)N 271570a_100015277604_100000211769 [1,2,0,0,0,0|0,0,1]=4 12756 B11R1.192 C=C=Cc1ccc(c(c1)C)O 271570a_100015277604_100000186361 [1,2,0,0,0,0|0,0,1]=4 12757 B11R1.192 CC=Cc1cc(c(cn1)Br)C 271570a_100016259895_100012356354 [1,2,0,0,0,0|1,0,0]=4 12758 B11R1.192 CC=Cc1cc(c(cn1)C)C 271570a_100016259895_100009850809 [1,2,0,0,0,0|1,0,0]=4 12759 B11R1.192 CC=Cc1cc(c(cn1)F)C 271570a_100016259895_100009818257 [1,2,0,0,0,0|1,0,0]=4 12760 B11R1.192 CC=Cc1cc(c(cn1)N)C 271570a_100016259895_100000765520 [1,2,0,0,0,0|1,0,0]=4 12761 B11R1.192 CC=Cc1cc(c(cn1)O)C 271570a_100016259895_100000692680 [1,2,0,0,0,0|1,0,0]=4 12762 B11R1.192 CC=Cc1ccc(=O)n(c1)C 271570a_100016259895_100011245003 [1,2,0,0,0,0|1,0,0]=4 12763 B11R1.192 CC=Cc1ccc(c(c1)Br)Br 271570a_100016259895_100012356285 [1,2,0,0,0,0|1,0,0]=4 12764 B11R1.192 CC=Cc1ccc(c(c1)Br)C 271570a_100016259895_100011847877 [1,2,0,0,0,0|1,0,0]=4 12765 B11R1.192 CC=Cc1ccc(c(c1)Br)Cl 271570a_100016259895_100012353702 [1,2,0,0,0,0|1,0,0]=4 12766 B11R1.192 CC=Cc1ccc(c(c1)Br)F 271570a_100016259895_100012047266 [1,2,0,0,0,0|1,0,0]=4 12767 B11R1.192 CC=Cc1ccc(c(c1)Br)N 271570a_100016259895_100000750455 [1,2,0,0,0,0|1,0,0]=4 12768 B11R1.192 CC=Cc1ccc(c(c1)Br)O 271570a_100016259895_100012361655 [1,2,0,0,0,0|1,0,0]=4 12769 B11R1.192 CC=Cc1ccc(c(c1)C)Br 271570a_100016259895_100009813585 [1,2,0,0,0,0|0,0,0]=3 12770 B11R1.192 CC=Cc1ccc(c(c1)C)C 271570a_100016259895_100011215607 [1,2,0,0,0,0|0,0,0]=3 12771 B11R1.192 CC=Cc1ccc(c(c1)C)Cl 271570a_100016259895_100000049509 [1,2,0,0,0,0|0,0,0]=3 12772 B11R1.192 CC=Cc1ccc(c(c1)C)F 271570a_100016259895_100011218330 [1,2,0,0,0,0|0,0,0]=3 12773 B11R1.192 CC=Cc1ccc(c(c1)C)N 271570a_100016259895_100000211769 [1,2,0,0,0,0|0,0,0]=3 12774 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [1,2,0,0,0,0|0,0,0]=3 12775 B11R1.192 CC=Cc1ccc(c(c1)Cl)Br 271570a_100016259895_100012047281 [1,2,0,0,0,0|1,0,0]=4 12776 B11R1.192 CC=Cc1ccc(c(c1)Cl)C 271570a_100016259895_100011216363 [1,2,0,0,0,0|1,0,0]=4 12777 B11R1.192 CC=Cc1ccc(c(c1)Cl)Cl 271570a_100016259895_100011214914 [1,2,0,0,0,0|1,0,0]=4 12778 B11R1.192 CC=Cc1ccc(c(c1)Cl)F 271570a_100016259895_100011215976 [1,2,0,0,0,0|1,0,0]=4 12779 B11R1.192 CC=Cc1ccc(c(c1)Cl)N 271570a_100016259895_100011218065 [1,2,0,0,0,0|1,0,0]=4 12780 B11R1.192 CC=Cc1ccc(c(c1)Cl)O 271570a_100016259895_100012360047 [1,2,0,0,0,0|1,0,0]=4 12781 B11R1.192 CC=Cc1ccc(c(c1)F)Br 271570a_100016259895_100000685389 [1,2,0,0,0,0|1,0,0]=4 12782 B11R1.192 CC=Cc1ccc(c(c1)F)C 271570a_100016259895_100000720648 [1,2,0,0,0,0|1,0,0]=4 12783 B11R1.192 CC=Cc1ccc(c(c1)F)Cl 271570a_100016259895_100011216805 [1,2,0,0,0,0|1,0,0]=4 12784 B11R1.192 CC=Cc1ccc(c(c1)F)F 271570a_100016259895_100000750028 [1,2,0,0,0,0|1,0,0]=4 12785 B11R1.192 CC=Cc1ccc(c(c1)F)N 271570a_100016259895_100011215594 [1,2,0,0,0,0|1,0,0]=4 12786 B11R1.192 CC=Cc1ccc(c(c1)F)O 271570a_100016259895_100000185481 [1,2,0,0,0,0|1,0,0]=4 12787 B11R1.192 CC=Cc1ccc(c(c1)N)Br 271570a_100016259895_100000750456 [1,2,0,0,0,0|1,0,0]=4 12788 B11R1.192 CC=Cc1ccc(c(c1)N)C 271570a_100016259895_100000761890 [1,2,0,0,0,0|1,0,0]=4 12789 B11R1.192 CC=Cc1ccc(c(c1)N)Cl 271570a_100016259895_200000761891 [1,2,0,0,0,0|1,0,0]=4 12790 B11R1.192 CC=Cc1ccc(c(c1)N)F 271570a_100016259895_100000740924 [1,2,0,0,0,0|1,0,0]=4 12791 B11R1.192 CC=Cc1ccc(c(c1)N)N 271570a_100016259895_100000741789 [1,2,0,0,0,0|1,0,0]=4 12792 B11R1.192 CC=Cc1ccc(c(c1)N)O 271570a_100016259895_100000752626 [1,2,0,0,0,0|1,0,0]=4 12793 B11R1.192 CC=Cc1ccc(c(c1)O)Br 271570a_100016259895_100012356990 [1,2,0,0,0,0|1,0,0]=4 12794 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [1,2,0,0,0,0|1,0,0]=4 12795 B11R1.192 CC=Cc1ccc(c(c1)O)Cl 271570a_100016259895_100011356854 [1,2,0,0,0,0|1,0,0]=4 12796 B11R1.192 CC=Cc1ccc(c(c1)O)F 271570a_100016259895_100000686035 [1,2,0,0,0,0|1,0,0]=4 12797 B11R1.192 CC=Cc1ccc(c(c1)O)N 271570a_100016259895_100000739049 [1,2,0,0,0,0|1,0,0]=4 12798 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [1,2,0,0,0,0|1,0,0]=4 12799 B11R1.192 CC=Cc1ccc(c(n1)C)Br 271570a_100016259895_100012360386 [1,2,0,0,0,0|1,0,0]=4 12800 B11R1.192 CC=Cc1ccc(c(n1)C)C 271570a_100016259895_100000103781 [1,2,0,0,0,0|1,0,0]=4 12801 B11R1.192 CC=Cc1ccc(c(n1)C)F 271570a_100016259895_100009814307 [1,2,0,0,0,0|1,0,0]=4 12802 B11R1.192 CC=Cc1ccc(c(n1)C)N 271570a_100016259895_100000760127 [1,2,0,0,0,0|1,0,0]=4 12803 B11R1.192 CC=Cc1ccc(c(n1)C)O 271570a_100016259895_100010233687 [1,2,0,0,0,0|1,0,0]=4 12804 B11R1.192 CC=Cc1cnc(c(c1)C)Br 271570a_100016259895_100009816107 [1,2,0,0,0,0|1,0,0]=4 12805 B11R1.192 CC=Cc1cnc(c(c1)C)C 271570a_100016259895_100000697892 [1,2,0,0,0,0|1,0,0]=4 12806 B11R1.192 CC=Cc1cnc(c(c1)C)Cl 271570a_100016259895_100009922867 [1,2,0,0,0,0|1,0,0]=4 12807 B11R1.192 CC=Cc1cnc(c(c1)C)F 271570a_100016259895_100000709442 [1,2,0,0,0,0|1,0,0]=4 12808 B11R1.192 CC=Cc1cnc(c(c1)C)N 271570a_100016259895_100000186686 [1,2,0,0,0,0|1,0,0]=4 12809 B11R1.192 CC=Cc1cnc(c(c1)C)O 271570a_100016259895_100000685391 [1,2,0,0,0,0|1,0,0]=4 12810 B11R1.192 CCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210202 [1,2,0,0,0,0|0,0,1]=4 12811 B11R1.192 CCNc1ccc(c(c1)C)Br 34a_100000210723_100000210202 [1,2,0,0,0,0|0,0,1]=4 12812 B11R1.192 CCNc1ccc(c(c1)C)Br 7a_100000210723_100000210202 [1,2,0,0,0,0|0,0,1]=4 12813 B11R1.192 CCNc1ccc(c(c1)C)C 2230a_100000724040_100000210202 [1,2,0,0,0,0|0,0,1]=4 12814 B11R1.192 CCNc1ccc(c(c1)C)C 34a_100000724040_100000210202 [1,2,0,0,0,0|0,0,1]=4 12815 B11R1.192 CCNc1ccc(c(c1)C)C 7a_100000724040_100000210202 [1,2,0,0,0,0|0,0,1]=4 12816 B11R1.192 CCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210202 [1,2,0,0,0,0|0,0,1]=4 12817 B11R1.192 CCNc1ccc(c(c1)C)Cl 34a_100000187808_100000210202 [1,2,0,0,0,0|0,0,1]=4 12818 B11R1.192 CCNc1ccc(c(c1)C)Cl 7a_100000187808_100000210202 [1,2,0,0,0,0|0,0,1]=4 12819 B11R1.192 CCNc1ccc(c(c1)C)F 2230a_100000750164_100000210202 [1,2,0,0,0,0|0,0,1]=4 12820 B11R1.192 CCNc1ccc(c(c1)C)F 34a_100000750164_100000210202 [1,2,0,0,0,0|0,0,1]=4 12821 B11R1.192 CCNc1ccc(c(c1)C)F 7a_100000750164_100000210202 [1,2,0,0,0,0|0,0,1]=4 12822 B11R1.192 CCNc1ccc(c(c1)C)I 34a_100000198070_100000210202 [1,2,0,0,0,0|0,0,1]=4 12823 B11R1.192 CCNc1ccc(c(c1)C)I 7a_100000198070_100000210202 [1,2,0,0,0,0|0,0,1]=4 12824 B11R1.192 CCNc1ccc(c(c1)C)O 271570a_203496583355_100015183089 [1,2,0,0,0,0|0,0,1]=4 12825 B11R1.192 CCNc1ccc(c(c1)C)O 34a_100011218179_100000210202 [1,2,0,0,0,0|0,0,1]=4 12826 B11R1.192 CCNc1ccc(c(c1)C)O 7a_100011218179_100000210202 [1,2,0,0,0,0|0,0,1]=4 12827 B11R1.192 CCOc1ccc(c(c1)C)Br 34a_100000690111_100000210202 [1,2,0,0,0,0|0,0,1]=4 12828 B11R1.192 CCOc1ccc(c(c1)C)Br 7a_100000690111_100000210202 [1,2,0,0,0,0|0,0,1]=4 12829 B11R1.192 CCOc1ccc(c(c1)C)C 34a_100000210932_100000210202 [1,2,0,0,0,0|0,0,1]=4 12830 B11R1.192 CCOc1ccc(c(c1)C)C 7a_100000210932_100000210202 [1,2,0,0,0,0|0,0,1]=4 12831 B11R1.192 CCOc1ccc(c(c1)C)Cl 34a_100000211092_100000210202 [1,2,0,0,0,0|0,0,1]=4 12832 B11R1.192 CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210202 [1,2,0,0,0,0|0,0,1]=4 12833 B11R1.192 CCOc1ccc(c(c1)C)F 34a_100000751312_100000210202 [1,2,0,0,0,0|0,0,1]=4 12834 B11R1.192 CCOc1ccc(c(c1)C)F 7a_100000751312_100000210202 [1,2,0,0,0,0|0,0,1]=4 12835 B11R1.192 CCOc1ccc(c(c1)C)I 34a_100000729255_100000210202 [1,2,0,0,0,0|0,0,1]=4 12836 B11R1.192 CCOc1ccc(c(c1)C)I 7a_100000729255_100000210202 [1,2,0,0,0,0|0,0,1]=4 12837 B11R1.192 CCOc1ccc(c(c1)C)N 34a_100000756630_100000210202 [1,2,0,0,0,0|0,0,1]=4 12838 B11R1.192 CCOc1ccc(c(c1)C)N 7a_100000756630_100000210202 [1,2,0,0,0,0|0,0,1]=4 12839 B11R1.192 CCOc1ccc(c(c1)C)O 271570a_203496583355_100012344538 [1,2,0,0,0,0|0,0,1]=4 12840 B11R1.192 CCSc1ccc(c(c1)C)Br 62a_100000210202_100009813585 [1,2,0,0,0,0|0,0,1]=4 12841 B11R1.192 CCSc1ccc(c(c1)C)Br 62a_100009813585_100000210202 [1,2,0,0,0,0|0,0,1]=4 12842 B11R1.192 CCSc1ccc(c(c1)C)C 62a_100000210202_100011215607 [1,2,0,0,0,0|0,0,1]=4 12843 B11R1.192 CCSc1ccc(c(c1)C)C 62a_100011215607_100000210202 [1,2,0,0,0,0|0,0,1]=4 12844 B11R1.192 CCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210202 [1,2,0,0,0,0|0,0,1]=4 12845 B11R1.192 CCSc1ccc(c(c1)C)Cl 62a_100000210202_100000049509 [1,2,0,0,0,0|0,0,1]=4 12846 B11R1.192 CCSc1ccc(c(c1)C)F 62a_100000210202_100011218330 [1,2,0,0,0,0|0,0,1]=4 12847 B11R1.192 CCSc1ccc(c(c1)C)F 62a_100011218330_100000210202 [1,2,0,0,0,0|0,0,1]=4 12848 B11R1.192 CCSc1ccc(c(c1)C)N 62a_100000210202_100000211769 [1,2,0,0,0,0|0,0,1]=4 12849 B11R1.192 CCSc1ccc(c(c1)C)N 62a_100000211769_100000210202 [1,2,0,0,0,0|0,0,1]=4 12850 B11R1.192 CCSc1ccc(c(c1)C)O 62a_100000210202_100000186361 [1,2,0,0,0,0|0,0,1]=4 12851 B11R1.192 CNCc1ccc(c(c1)C)Br 207a_100102657272_100000765772 [1,2,0,0,0,0|0,0,1]=4 12852 B11R1.192 CNCc1ccc(c(c1)C)Br 2230a_100015205234_200000210301 [1,2,0,0,0,0|0,0,1]=4 12853 B11R1.192 CNCc1ccc(c(c1)C)Br 2230a_106832991635_100000727479 [1,2,0,0,0,0|0,0,1]=4 12854 B11R1.192 CNCc1ccc(c(c1)C)Br 26a_100102657272_100000690111 [1,2,0,0,0,0|0,0,1]=4 12855 B11R1.192 CNCc1ccc(c(c1)C)Br 270004a_106832991635_100000765772 [1,2,0,0,0,0|0,0,1]=4 12856 B11R1.192 CNCc1ccc(c(c1)C)Br 34a_100015205234_200000210301 [1,2,0,0,0,0|0,0,1]=4 12857 B11R1.192 CNCc1ccc(c(c1)C)Br 34a_100102657272_100000727479 [1,2,0,0,0,0|0,0,1]=4 12858 B11R1.192 CNCc1ccc(c(c1)C)Br 7a_106832991635_100000727479 [1,2,0,0,0,0|0,0,1]=4 12859 B11R1.192 CNCc1ccc(c(c1)C)C 207a_100102657272_100000229942 [1,2,0,0,0,0|0,0,1]=4 12860 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_100025706692_200000210301 [1,2,0,0,0,0|0,0,1]=4 12861 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_106832991635_100000742320 [1,2,0,0,0,0|0,0,1]=4 12862 B11R1.192 CNCc1ccc(c(c1)C)C 270004a_106832991635_100000229942 [1,2,0,0,0,0|0,0,1]=4 12863 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100025706692_200000210301 [1,2,0,0,0,0|0,0,1]=4 12864 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100102657272_100000742320 [1,2,0,0,0,0|0,0,1]=4 12865 B11R1.192 CNCc1ccc(c(c1)C)C 7a_106832991635_100000742320 [1,2,0,0,0,0|0,0,1]=4 12866 B11R1.192 CNCc1ccc(c(c1)C)Cl 207a_100102657272_100000698814 [1,2,0,0,0,0|0,0,1]=4 12867 B11R1.192 CNCc1ccc(c(c1)C)Cl 2230a_106832991635_100012184735 [1,2,0,0,0,0|0,0,1]=4 12868 B11R1.192 CNCc1ccc(c(c1)C)Cl 26a_100102657272_100000211092 [1,2,0,0,0,0|0,0,1]=4 12869 B11R1.192 CNCc1ccc(c(c1)C)Cl 270004a_106832991635_100000698814 [1,2,0,0,0,0|0,0,1]=4 12870 B11R1.192 CNCc1ccc(c(c1)C)Cl 34a_100102657272_100012184735 [1,2,0,0,0,0|0,0,1]=4 12871 B11R1.192 CNCc1ccc(c(c1)C)Cl 7a_106832991635_100012184735 [1,2,0,0,0,0|0,0,1]=4 12872 B11R1.192 CNCc1ccc(c(c1)C)F 207a_100102657272_100000748208 [1,2,0,0,0,0|0,0,1]=4 12873 B11R1.192 CNCc1ccc(c(c1)C)F 2230a_100000239911_200000210301 [1,2,0,0,0,0|0,0,1]=4 12874 B11R1.192 CNCc1ccc(c(c1)C)F 2230a_106832991635_100011216667 [1,2,0,0,0,0|0,0,1]=4 12875 B11R1.192 CNCc1ccc(c(c1)C)F 270004a_106832991635_100000748208 [1,2,0,0,0,0|0,0,1]=4 12876 B11R1.192 CNCc1ccc(c(c1)C)F 34a_100000239911_200000210301 [1,2,0,0,0,0|0,0,1]=4 12877 B11R1.192 CNCc1ccc(c(c1)C)F 34a_100102657272_100011216667 [1,2,0,0,0,0|0,0,1]=4 12878 B11R1.192 CNCc1ccc(c(c1)C)F 7a_106832991635_100011216667 [1,2,0,0,0,0|0,0,1]=4 12879 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100000718852_200000210301 [1,2,0,0,0,0|0,0,1]=4 12880 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100138415774_100000727479 [1,2,0,0,0,0|0,0,1]=4 12881 B11R1.192 COCc1ccc(c(c1)C)Br 7a_100000718852_200000210301 [1,2,0,0,0,0|0,0,1]=4 12882 B11R1.192 COCc1ccc(c(c1)C)C 34a_100011215342_200000210301 [1,2,0,0,0,0|0,0,1]=4 12883 B11R1.192 COCc1ccc(c(c1)C)C 34a_100138415774_100000742320 [1,2,0,0,0,0|0,0,1]=4 12884 B11R1.192 COCc1ccc(c(c1)C)C 7a_100011215342_200000210301 [1,2,0,0,0,0|0,0,1]=4 12885 B11R1.192 COCc1ccc(c(c1)C)Cl 34a_100138415774_100012184735 [1,2,0,0,0,0|0,0,1]=4 12886 B11R1.192 COCc1ccc(c(c1)C)F 34a_100011219793_200000210301 [1,2,0,0,0,0|0,0,1]=4 12887 B11R1.192 COCc1ccc(c(c1)C)F 34a_100138415774_100011216667 [1,2,0,0,0,0|0,0,1]=4 12888 B11R1.192 COCc1ccc(c(c1)C)F 7a_100011219793_200000210301 [1,2,0,0,0,0|0,0,1]=4 12889 B11R1.192 COCc1ccc(c(c1)C)N 34a_200011997030_200000210301 [1,2,0,0,0,0|0,0,1]=4 12890 B11R1.192 CSCc1ccc(c(c1)C)Br 62a_100000727479_200000210301 [1,2,0,0,0,0|0,0,1]=4 12891 B11R1.192 CSCc1ccc(c(c1)C)Br 62a_200000210301_100000727479 [1,2,0,0,0,0|0,0,1]=4 12892 B11R1.192 CSCc1ccc(c(c1)C)C 62a_100000742320_200000210301 [1,2,0,0,0,0|0,0,1]=4 12893 B11R1.192 CSCc1ccc(c(c1)C)C 62a_200000210301_100000742320 [1,2,0,0,0,0|0,0,1]=4 12894 B11R1.192 CSCc1ccc(c(c1)C)Cl 62a_100012184735_200000210301 [1,2,0,0,0,0|0,0,1]=4 12895 B11R1.192 CSCc1ccc(c(c1)C)Cl 62a_200000210301_100012184735 [1,2,0,0,0,0|0,0,1]=4 12896 B11R1.192 CSCc1ccc(c(c1)C)F 62a_100011216667_200000210301 [1,2,0,0,0,0|0,0,1]=4 12897 B11R1.192 CSCc1ccc(c(c1)C)F 62a_200000210301_100011216667 [1,2,0,0,0,0|0,0,1]=4 12898 B11R1.192 Cc1cc(ccc1Br)CN[13CH3] 2230a_100015205234_200025704644 [1,2,0,0,0,0|0,0,1]=4 12899 B11R1.192 Cc1cc(ccc1Br)CN[13CH3] 34a_100015205234_200025704644 [1,2,0,0,0,0|0,0,1]=4 12900 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 34a_100000718852_200025704644 [1,2,0,0,0,0|0,0,1]=4 12901 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 7a_100000718852_200025704644 [1,2,0,0,0,0|0,0,1]=4 12902 B11R1.192 Cc1cc(ccc1Br)CS[13CH3] 62a_100000727479_200025704644 [1,2,0,0,0,0|0,0,1]=4 12903 B11R1.192 Cc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100000727479 [1,2,0,0,0,0|0,0,1]=4 12904 B11R1.192 Cc1cc(ccc1Br)NCF 34a_100000210723_100015361967 [1,2,0,0,0,0|1,0,0]=4 12905 B11R1.192 Cc1cc(ccc1Br)NCF 7a_100000210723_100015361967 [1,2,0,0,0,0|1,0,0]=4 12906 B11R1.192 Cc1cc(ccc1Br)OCF 34a_100000690111_100015361967 [1,2,0,0,0,0|1,0,0]=4 12907 B11R1.192 Cc1cc(ccc1Br)OCF 7a_100000690111_100015361967 [1,2,0,0,0,0|1,0,0]=4 12908 B11R1.192 Cc1cc(ccc1Br)SCF 62a_100009813585_100015361967 [1,2,0,0,0,0|1,0,0]=4 12909 B11R1.192 Cc1cc(ccc1Br)SCF 62a_100015361967_100009813585 [1,2,0,0,0,0|1,0,0]=4 12910 B11R1.192 Cc1cc(ccc1Cl)CS[13CH3] 62a_100012184735_200025704644 [1,2,0,0,0,0|0,0,1]=4 12911 B11R1.192 Cc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_100012184735 [1,2,0,0,0,0|0,0,1]=4 12912 B11R1.192 Cc1cc(ccc1Cl)NCF 34a_100000187808_100015361967 [1,2,0,0,0,0|1,0,0]=4 12913 B11R1.192 Cc1cc(ccc1Cl)NCF 7a_100000187808_100015361967 [1,2,0,0,0,0|1,0,0]=4 12914 B11R1.192 Cc1cc(ccc1Cl)OCF 34a_100000211092_100015361967 [1,2,0,0,0,0|1,0,0]=4 12915 B11R1.192 Cc1cc(ccc1Cl)OCF 7a_100000211092_100015361967 [1,2,0,0,0,0|1,0,0]=4 12916 B11R1.192 Cc1cc(ccc1Cl)SCF 62a_100000049509_100015361967 [1,2,0,0,0,0|1,0,0]=4 12917 B11R1.192 Cc1cc(ccc1Cl)SCF 62a_100015361967_100000049509 [1,2,0,0,0,0|1,0,0]=4 12918 B11R1.192 Cc1cc(ccc1F)CN[13CH3] 2230a_100000239911_200025704644 [1,2,0,0,0,0|0,0,1]=4 12919 B11R1.192 Cc1cc(ccc1F)CN[13CH3] 34a_100000239911_200025704644 [1,2,0,0,0,0|0,0,1]=4 12920 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 34a_100011219793_200025704644 [1,2,0,0,0,0|0,0,1]=4 12921 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 7a_100011219793_200025704644 [1,2,0,0,0,0|0,0,1]=4 12922 B11R1.192 Cc1cc(ccc1F)CS[13CH3] 62a_100011216667_200025704644 [1,2,0,0,0,0|0,0,1]=4 12923 B11R1.192 Cc1cc(ccc1F)CS[13CH3] 62a_200025704644_100011216667 [1,2,0,0,0,0|0,0,1]=4 12924 B11R1.192 Cc1cc(ccc1F)NCF 34a_100000750164_100015361967 [1,2,0,0,0,0|1,0,0]=4 12925 B11R1.192 Cc1cc(ccc1F)NCF 7a_100000750164_100015361967 [1,2,0,0,0,0|1,0,0]=4 12926 B11R1.192 Cc1cc(ccc1F)OCF 34a_100000751312_100015361967 [1,2,0,0,0,0|1,0,0]=4 12927 B11R1.192 Cc1cc(ccc1F)OCF 7a_100000751312_100015361967 [1,2,0,0,0,0|1,0,0]=4 12928 B11R1.192 Cc1cc(ccc1F)SCF 62a_100011218330_100015361967 [1,2,0,0,0,0|1,0,0]=4 12929 B11R1.192 Cc1cc(ccc1F)SCF 62a_100015361967_100011218330 [1,2,0,0,0,0|1,0,0]=4 12930 B11R1.192 Cc1cc(ccc1I)NCF 34a_100000198070_100015361967 [1,2,0,0,0,0|1,0,0]=4 12931 B11R1.192 Cc1cc(ccc1I)NCF 7a_100000198070_100015361967 [1,2,0,0,0,0|1,0,0]=4 12932 B11R1.192 Cc1cc(ccc1I)OCF 34a_100000729255_100015361967 [1,2,0,0,0,0|1,0,0]=4 12933 B11R1.192 Cc1cc(ccc1I)OCF 7a_100000729255_100015361967 [1,2,0,0,0,0|1,0,0]=4 12934 B11R1.192 Cc1cc(ccc1N)CO[13CH3] 34a_200011997030_200025704644 [1,2,0,0,0,0|0,0,1]=4 12935 B11R1.192 Cc1cc(ccc1N)OCF 34a_100000756630_100015361967 [1,2,0,0,0,0|1,0,0]=4 12936 B11R1.192 Cc1cc(ccc1N)OCF 7a_100000756630_100015361967 [1,2,0,0,0,0|1,0,0]=4 12937 B11R1.192 Cc1cc(ccc1N)SCF 62a_100000211769_100015361967 [1,2,0,0,0,0|1,0,0]=4 12938 B11R1.192 Cc1cc(ccc1N)SCF 62a_100015361967_100000211769 [1,2,0,0,0,0|1,0,0]=4 12939 B11R1.192 Cc1cc(ccc1O)NCF 34a_100011218179_100015361967 [1,2,0,0,0,0|1,0,0]=4 12940 B11R1.192 Cc1cc(ccc1O)NCF 7a_100011218179_100015361967 [1,2,0,0,0,0|1,0,0]=4 12941 B11R1.192 Cc1cc(ccc1O)SCF 62a_100015361967_100000186361 [1,2,0,0,0,0|1,0,0]=4 12942 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 2230a_100025706692_200025704644 [1,2,0,0,0,0|0,0,1]=4 12943 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 34a_100025706692_200025704644 [1,2,0,0,0,0|0,0,1]=4 12944 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 34a_100011215342_200025704644 [1,2,0,0,0,0|0,0,1]=4 12945 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 7a_100011215342_200025704644 [1,2,0,0,0,0|0,0,1]=4 12946 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_100000742320_200025704644 [1,2,0,0,0,0|0,0,1]=4 12947 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_200025704644_100000742320 [1,2,0,0,0,0|0,0,1]=4 12948 B11R1.192 Cc1ccc(cc1C)NCF 34a_100000724040_100015361967 [1,2,0,0,0,0|1,0,0]=4 12949 B11R1.192 Cc1ccc(cc1C)NCF 7a_100000724040_100015361967 [1,2,0,0,0,0|1,0,0]=4 12950 B11R1.192 Cc1ccc(cc1C)OCF 34a_100000210932_100015361967 [1,2,0,0,0,0|1,0,0]=4 12951 B11R1.192 Cc1ccc(cc1C)OCF 7a_100000210932_100015361967 [1,2,0,0,0,0|1,0,0]=4 12952 B11R1.192 Cc1ccc(cc1C)SCF 62a_100011215607_100015361967 [1,2,0,0,0,0|1,0,0]=4 12953 B11R1.192 Cc1ccc(cc1C)SCF 62a_100015361967_100011215607 [1,2,0,0,0,0|1,0,0]=4 12954 B11R1.37 C=Cc1cc(ccc1C#N)C 271570a_100011290941_100000693804 [1,2,0,0,0,0|0,0,1]=4 12955 B11R1.37 C=Cc1cc(ccc1C=O)C 271570a_100011290941_100000692596 [1,2,0,0,0,0|0,0,1]=4 12956 B11R1.37 C=Cc1cc(ccc1NC)C 271570a_100011290941_100000221369 [1,2,0,0,0,0|0,0,1]=4 12957 B11R1.37 C=Cc1cc(ccc1NN)C 271570a_100011290941_100016996181 [1,2,0,0,0,0|0,0,1]=4 12958 B11R1.37 C=Cc1cc(ccc1OC)C 271570a_100011290941_100000186399 [1,2,0,0,0,0|0,0,1]=4 12959 B11R1.37 C=Cc1cc(ccc1SC)C 271570a_100011290941_200010201864 [1,2,0,0,0,0|0,0,1]=4 12960 B11R1.37 C=Cc1ccc(cc1C=O)Br 271570a_100011290941_100010185651 [1,2,0,0,0,0|1,0,0]=4 12961 B11R1.37 C=Cc1ccc(cc1C=O)C 271570a_100011290941_100011551863 [1,2,0,0,0,0|0,0,0]=3 12962 B11R1.37 C=Cc1ccc(cc1C=O)Cl 271570a_100011290941_100010254386 [1,2,0,0,0,0|1,0,0]=4 12963 B11R1.37 C=Cc1ccc(cc1C=O)F 271570a_100011290941_100011218309 [1,2,0,0,0,0|1,0,0]=4 12964 B11R1.37 C=Cc1ccc(cc1C=O)O 271570a_100011290941_100000690577 [1,2,0,0,0,0|1,0,0]=4 12965 B11R1.37 C=Cc1ccc(cc1OC)C 271570a_100011290941_100010200004 [1,2,0,0,0,0|1,0,0]=4 12966 B11R1.37 C=Cc1ccc(cc1SC)C 271570a_100011290941_200010709736 [1,2,0,0,0,0|1,0,0]=4 12967 B11R1.37 C=Cc1ccc(nc1C=O)C 271570a_100011290941_100010173661 [1,2,0,0,0,0|1,0,0]=4 12968 B11R1.37 C=Cc1ncc(cc1C=O)C 271570a_100011290941_100000050350 [1,2,0,0,0,0|1,0,0]=4 12969 B11R1.37 CCc1cc(ccc1OC)C 34a_100009844793_200000210301 [1,2,0,0,0,0|0,0,1]=4 12970 B11R1.37 CCc1cc(ccc1OC)C 7a_100009844793_200000210301 [1,2,0,0,0,0|0,0,1]=4 12971 B11R1.37 CCc1cc(ccc1O[13CH3])C 34a_100009844793_200025704644 [1,2,0,0,0,0|0,0,1]=4 12972 B11R1.37 CCc1cc(ccc1O[13CH3])C 7a_100009844793_200025704644 [1,2,0,0,0,0|0,0,1]=4 12973 B11R1.37 CNc1cc(ccc1C#N)C 34a_100011218341_200000210301 [1,2,0,0,0,0|1,0,0]=4 12974 B11R1.37 CNc1cc(ccc1C#N)C 7a_100011218341_200000210301 [1,2,0,0,0,0|1,0,0]=4 12975 B11R1.37 CNc1cc(ccc1CO)C 34a_100000087799_200000210301 [1,2,0,0,0,0|1,0,0]=4 12976 B11R1.37 CNc1cc(ccc1OC)C 2230a_100000210980_200000210301 [1,2,0,0,0,0|1,0,0]=4 12977 B11R1.37 CNc1cc(ccc1OC)C 34a_100000210980_200000210301 [1,2,0,0,0,0|1,0,0]=4 12978 B11R1.37 CNc1ccc(cc1OC)C 2230a_100000746441_200000210301 [1,2,0,0,0,0|1,0,0]=4 12979 B11R1.37 CNc1ccc(cc1OC)C 34a_100000746441_200000210301 [1,2,0,0,0,0|1,0,0]=4 12980 B11R1.37 CNc1ccc(cc1SC)C 62a_100000221369_200000210301 [1,2,0,0,0,0|1,0,0]=4 12981 B11R1.37 CNc1ccc(cc1SC)C 62a_200000210301_100000221369 [1,2,0,0,0,0|1,0,0]=4 12982 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_100000221369_200025704644 [1,2,0,0,0,0|1,0,0]=4 12983 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_200025704644_100000221369 [1,2,0,0,0,0|1,0,0]=4 12984 B11R1.37 COc1cc(ccc1C#N)C 34a_100011640519_200000210301 [1,2,0,0,0,0|1,0,0]=4 12985 B11R1.37 COc1cc(ccc1C#N)C 7a_100011640519_200000210301 [1,2,0,0,0,0|1,0,0]=4 12986 B11R1.37 COc1cc(ccc1N[13CH3])C 2230a_100000746441_200025704644 [1,2,0,0,0,0|1,0,0]=4 12987 B11R1.37 COc1cc(ccc1N[13CH3])C 34a_100000746441_200025704644 [1,2,0,0,0,0|1,0,0]=4 12988 B11R1.37 COc1cc(ccc1O[13CH3])C 34a_100000186466_200025704644 [1,2,0,0,0,0|1,0,0]=4 12989 B11R1.37 COc1cc(ccc1SC)C 62a_100010200004_200000210301 [1,2,0,0,0,0|1,0,0]=4 12990 B11R1.37 COc1cc(ccc1SC)C 62a_200000210301_100010200004 [1,2,0,0,0,0|1,0,0]=4 12991 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_100010200004_200025704644 [1,2,0,0,0,0|1,0,0]=4 12992 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_200025704644_100010200004 [1,2,0,0,0,0|1,0,0]=4 12993 B11R1.37 COc1ccc(cc1C=O)O 271570a_203496583355_100000170026 [1,2,0,0,0,0|1,0,0]=4 12994 B11R1.37 COc1ccc(cc1N[13CH3])C 2230a_100000210980_200025704644 [1,2,0,0,0,0|1,0,0]=4 12995 B11R1.37 COc1ccc(cc1N[13CH3])C 34a_100000210980_200025704644 [1,2,0,0,0,0|1,0,0]=4 12996 B11R1.37 COc1ccc(cc1OC)C 34a_100000186466_200000210301 [1,2,0,0,0,0|1,0,0]=4 12997 B11R1.37 COc1ccc(cc1OC)C 34a_100011216497_200000210301 [1,2,0,0,0,0|1,0,0]=4 12998 B11R1.37 COc1ccc(cc1OC)C 7a_100011216497_200000210301 [1,2,0,0,0,0|1,0,0]=4 12999 B11R1.37 COc1ccc(cc1O[13CH3])C 34a_100011216497_200025704644 [1,2,0,0,0,0|1,0,0]=4 13000 B11R1.37 COc1ccc(cc1O[13CH3])C 7a_100011216497_200025704644 [1,2,0,0,0,0|1,0,0]=4 13001 B11R1.37 COc1ccc(cc1SC)C 62a_100000186399_200000210301 [1,2,0,0,0,0|1,0,0]=4 13002 B11R1.37 COc1ccc(cc1SC)C 62a_200000210301_100000186399 [1,2,0,0,0,0|1,0,0]=4 13003 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_100000186399_200025704644 [1,2,0,0,0,0|1,0,0]=4 13004 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_200025704644_100000186399 [1,2,0,0,0,0|1,0,0]=4 13005 B11R1.37 CSc1cc(ccc1C#N)C 62a_200000210301_100000693804 [1,2,0,0,0,0|1,0,0]=4 13006 B11R1.37 CSc1cc(ccc1C=O)C 62a_100011935181_200000210301 [1,2,0,0,0,0|1,0,0]=4 13007 B11R1.37 CSc1cc(ccc1C=O)C 62a_200000210301_100011935181 [1,2,0,0,0,0|1,0,0]=4 13008 B11R1.37 CSc1cc(ccc1NN)C 62a_100016996181_200000210301 [1,2,0,0,0,0|1,0,0]=4 13009 B11R1.37 CSc1cc(ccc1NN)C 62a_200000210301_100016996181 [1,2,0,0,0,0|1,0,0]=4 13010 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200010709736_200025704644 [1,2,0,0,0,0|1,0,0]=4 13011 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200025704644_200010709736 [1,2,0,0,0,0|1,0,0]=4 13012 B11R1.37 CSc1ccc(cc1C=O)Br 62a_100010185651_200000210301 [1,2,0,0,0,0|1,0,0]=4 13013 B11R1.37 CSc1ccc(cc1C=O)Br 62a_200000210301_100010185651 [1,2,0,0,0,0|1,0,0]=4 13014 B11R1.37 CSc1ccc(cc1C=O)C 62a_100011551863_200000210301 [1,2,0,0,0,0|0,0,0]=3 13015 B11R1.37 CSc1ccc(cc1C=O)C 62a_200000210301_100011551863 [1,2,0,0,0,0|0,0,0]=3 13016 B11R1.37 CSc1ccc(cc1C=O)Cl 62a_100010254386_200000210301 [1,2,0,0,0,0|1,0,0]=4 13017 B11R1.37 CSc1ccc(cc1C=O)Cl 62a_200000210301_100010254386 [1,2,0,0,0,0|1,0,0]=4 13018 B11R1.37 CSc1ccc(cc1C=O)F 62a_100011218309_200000210301 [1,2,0,0,0,0|1,0,0]=4 13019 B11R1.37 CSc1ccc(cc1C=O)F 62a_200000210301_100011218309 [1,2,0,0,0,0|1,0,0]=4 13020 B11R1.37 CSc1ccc(cc1C=O)O 62a_100000690577_200000210301 [1,2,0,0,0,0|1,0,0]=4 13021 B11R1.37 CSc1ccc(cc1C=O)O 62a_200000210301_100000690577 [1,2,0,0,0,0|1,0,0]=4 13022 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010201864 [1,2,0,0,0,0|1,0,0]=4 13023 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010709736 [1,2,0,0,0,0|1,0,0]=4 13024 B11R1.37 CSc1ccc(cc1SC)C 62a_200010201864_200000210301 [1,2,0,0,0,0|1,0,0]=4 13025 B11R1.37 CSc1ccc(cc1SC)C 62a_200010709736_200000210301 [1,2,0,0,0,0|1,0,0]=4 13026 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200010201864_200025704644 [1,2,0,0,0,0|1,0,0]=4 13027 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200025704644_200010201864 [1,2,0,0,0,0|1,0,0]=4 13028 B11R1.37 CSc1ccc(nc1C=O)C 62a_100010173661_200000210301 [1,2,0,0,0,0|1,0,0]=4 13029 B11R1.37 CSc1ccc(nc1C=O)C 62a_200000210301_100010173661 [1,2,0,0,0,0|1,0,0]=4 13030 B11R1.37 CSc1ncc(cc1C=O)C 62a_200000210301_100000050350 [1,2,0,0,0,0|1,0,0]=4 13031 B11R1.37 Cc1ccc(c(c1)C=O)S[13CH3] 62a_100011551863_200025704644 [1,2,0,0,0,0|0,0,0]=3 13032 B11R1.37 Cc1ccc(c(c1)C=O)S[13CH3] 62a_200025704644_100011551863 [1,2,0,0,0,0|0,0,0]=3 13033 B11R1.37 Cc1ccc(c(c1)N[13CH3])C#N 34a_100011218341_200025704644 [1,2,0,0,0,0|1,0,0]=4 13034 B11R1.37 Cc1ccc(c(c1)N[13CH3])C#N 7a_100011218341_200025704644 [1,2,0,0,0,0|1,0,0]=4 13035 B11R1.37 Cc1ccc(c(c1)N[13CH3])CO 34a_100000087799_200025704644 [1,2,0,0,0,0|1,0,0]=4 13036 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 34a_100011640519_200025704644 [1,2,0,0,0,0|1,0,0]=4 13037 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 7a_100011640519_200025704644 [1,2,0,0,0,0|1,0,0]=4 13038 B11R1.37 Cc1ccc(c(c1)S[13CH3])C#N 62a_200025704644_100000693804 [1,2,0,0,0,0|1,0,0]=4 13039 B11R1.37 Cc1ccc(c(c1)S[13CH3])C=O 62a_100011935181_200025704644 [1,2,0,0,0,0|1,0,0]=4 13040 B11R1.37 Cc1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100011935181 [1,2,0,0,0,0|1,0,0]=4 13041 B11R1.37 Cc1ccc(c(c1)S[13CH3])NN 62a_100016996181_200025704644 [1,2,0,0,0,0|1,0,0]=4 13042 B11R1.37 Cc1ccc(c(c1)S[13CH3])NN 62a_200025704644_100016996181 [1,2,0,0,0,0|1,0,0]=4 13043 B11R1.37 Cc1ccc(c(n1)C=O)S[13CH3] 62a_100010173661_200025704644 [1,2,0,0,0,0|1,0,0]=4 13044 B11R1.37 Cc1ccc(c(n1)C=O)S[13CH3] 62a_200025704644_100010173661 [1,2,0,0,0,0|1,0,0]=4 13045 B11R1.37 Cc1cnc(c(c1)C=O)S[13CH3] 62a_200025704644_100000050350 [1,2,0,0,0,0|1,0,0]=4 13046 B11R1.37 N#Cc1ccc(cc1C=O)O 271570a_203496583355_100010194279 [1,2,0,0,0,0|1,0,0]=4 13047 B11R1.37 O=Cc1ccc(cc1C=O)O 271570a_203496583355_200010077131 [1,2,0,0,0,0|1,0,0]=4 13048 B11R1.37 [13CH3]Sc1ccc(cc1C=O)Br 62a_100010185651_200025704644 [1,2,0,0,0,0|1,0,0]=4 13049 B11R1.37 [13CH3]Sc1ccc(cc1C=O)Br 62a_200025704644_100010185651 [1,2,0,0,0,0|1,0,0]=4 13050 B11R1.37 [13CH3]Sc1ccc(cc1C=O)Cl 62a_100010254386_200025704644 [1,2,0,0,0,0|1,0,0]=4 13051 B11R1.37 [13CH3]Sc1ccc(cc1C=O)Cl 62a_200025704644_100010254386 [1,2,0,0,0,0|1,0,0]=4 13052 B11R1.37 [13CH3]Sc1ccc(cc1C=O)F 62a_100011218309_200025704644 [1,2,0,0,0,0|1,0,0]=4 13053 B11R1.37 [13CH3]Sc1ccc(cc1C=O)F 62a_200025704644_100011218309 [1,2,0,0,0,0|1,0,0]=4 13054 B11R1.37 [13CH3]Sc1ccc(cc1C=O)O 62a_100000690577_200025704644 [1,2,0,0,0,0|1,0,0]=4 13055 B11R1.37 [13CH3]Sc1ccc(cc1C=O)O 62a_200025704644_100000690577 [1,2,0,0,0,0|1,0,0]=4 13056 B11R1.277 C=Cc1cc(c(cc1Br)F)C 271570a_100011290941_200009814773 [1,2,0,0,0,0|0,0,1]=4 13057 B11R1.277 C=Cc1cc(c(cc1C)Br)C 271570a_100011290941_100011356911 [1,2,0,0,0,0|0,0,1]=4 13058 B11R1.277 C=Cc1cc(c(cc1C)C)C 271570a_100011290941_100000759388 [1,2,0,0,0,0|0,0,1]=4 13059 B11R1.277 C=Cc1cc(c(cc1C)Cl)C 271570a_100011290941_100012357408 [1,2,0,0,0,0|0,0,1]=4 13060 B11R1.277 C=Cc1cc(c(cc1C)F)C 271570a_100011290941_100010212296 [1,2,0,0,0,0|0,0,1]=4 13061 B11R1.277 C=Cc1cc(c(cc1C)N)C 271570a_100011290941_100011934712 [1,2,0,0,0,0|0,0,1]=4 13062 B11R1.277 C=Cc1cc(c(cc1C)O)C 271570a_100011290941_100000698207 [1,2,0,0,0,0|0,0,1]=4 13063 B11R1.277 C=Cc1cc(c(cc1Cl)Br)C 271570a_100011290941_100010259621 [1,2,0,0,0,0|0,0,1]=4 13064 B11R1.277 C=Cc1cc(c(cc1F)Br)C 271570a_100011290941_200009814772 [1,2,0,0,0,0|0,0,1]=4 13065 B11R1.277 C=Cc1cc(c(cc1F)C)C 271570a_100011290941_100010197417 [1,2,0,0,0,0|0,0,1]=4 13066 B11R1.277 C=Cc1cc(c(cc1F)F)C 271570a_100011290941_100000692463 [1,2,0,0,0,0|0,0,1]=4 13067 B11R1.277 C=Cc1cc(c(cc1F)N)C 271570a_100011290941_100000695870 [1,2,0,0,0,0|0,0,1]=4 13068 B11R1.277 C=Cc1cc(c(cc1N)Br)C 271570a_100011290941_200015600912 [1,2,0,0,0,0|0,0,1]=4 13069 B11R1.277 C=Cc1cc(c(cc1N)C)C 271570a_100011290941_100012337760 [1,2,0,0,0,0|0,0,1]=4 13070 B11R1.277 C=Cc1cc(c(cc1N)F)C 271570a_100011290941_100011218008 [1,2,0,0,0,0|0,0,1]=4 13071 B11R1.277 C=Cc1cc(c(cc1N)N)C 271570a_100011290941_200013038441 [1,2,0,0,0,0|0,0,1]=4 13072 B11R1.277 C=Cc1cc(c(cc1O)C)C 271570a_100011290941_100009814663 [1,2,0,0,0,0|0,0,1]=4 13073 B11R1.277 CNc1cc(c(cc1Br)Br)C 34a_100009995518_200000210301 [1,2,0,0,0,0|1,0,0]=4 13074 B11R1.277 CNc1cc(c(cc1Br)Br)C 7a_100009995518_200000210301 [1,2,0,0,0,0|1,0,0]=4 13075 B11R1.277 CNc1cc(c(cc1Br)C)C 34a_100012337760_200000210301 [1,2,0,0,0,0|1,0,0]=4 13076 B11R1.277 CNc1cc(c(cc1Br)C)C 7a_100012337760_200000210301 [1,2,0,0,0,0|1,0,0]=4 13077 B11R1.277 CNc1cc(c(cc1Br)F)C 34a_100010233353_200000210301 [1,2,0,0,0,0|1,0,0]=4 13078 B11R1.277 CNc1cc(c(cc1Br)F)C 7a_100010233353_200000210301 [1,2,0,0,0,0|1,0,0]=4 13079 B11R1.277 CNc1cc(c(cc1C)Br)C 2230a_100011934712_200000210301 [1,2,0,0,0,0|1,0,0]=4 13080 B11R1.277 CNc1cc(c(cc1C)Br)C 34a_100011934712_200000210301 [1,2,0,0,0,0|1,0,0]=4 13081 B11R1.277 CNc1cc(c(cc1C)Br)C 7a_100011934712_200000210301 [1,2,0,0,0,0|1,0,0]=4 13082 B11R1.277 CNc1cc(c(cc1C)C)C 2230a_100011217141_200000210301 [1,2,0,0,0,0|1,0,0]=4 13083 B11R1.277 CNc1cc(c(cc1C)C)C 34a_100011217141_200000210301 [1,2,0,0,0,0|1,0,0]=4 13084 B11R1.277 CNc1cc(c(cc1C)C)C 7a_100011217141_200000210301 [1,2,0,0,0,0|1,0,0]=4 13085 B11R1.277 CNc1cc(c(cc1C)Cl)C 2230a_100011830454_200000210301 [1,2,0,0,0,0|1,0,0]=4 13086 B11R1.277 CNc1cc(c(cc1C)Cl)C 34a_100011830454_200000210301 [1,2,0,0,0,0|1,0,0]=4 13087 B11R1.277 CNc1cc(c(cc1C)Cl)C 7a_100011830454_200000210301 [1,2,0,0,0,0|1,0,0]=4 13088 B11R1.277 CNc1cc(c(cc1C)O)C 34a_100000720036_200000210301 [1,2,0,0,0,0|1,0,0]=4 13089 B11R1.277 CNc1cc(c(cc1C)O)C 7a_100000720036_200000210301 [1,2,0,0,0,0|1,0,0]=4 13090 B11R1.277 CNc1cc(c(cc1Cl)C)C 34a_100012183282_200000210301 [1,2,0,0,0,0|1,0,0]=4 13091 B11R1.277 CNc1cc(c(cc1Cl)C)C 7a_100012183282_200000210301 [1,2,0,0,0,0|1,0,0]=4 13092 B11R1.277 CNc1cc(c(cc1Cl)Cl)C 34a_100012000392_200000210301 [1,2,0,0,0,0|1,0,0]=4 13093 B11R1.277 CNc1cc(c(cc1Cl)Cl)C 7a_100012000392_200000210301 [1,2,0,0,0,0|1,0,0]=4 13094 B11R1.277 CNc1cc(c(cc1Cl)F)C 34a_100000729549_200000210301 [1,2,0,0,0,0|1,0,0]=4 13095 B11R1.277 CNc1cc(c(cc1Cl)F)C 7a_100000729549_200000210301 [1,2,0,0,0,0|1,0,0]=4 13096 B11R1.277 CNc1cc(c(cc1F)Br)C 2230a_100000691575_200000210301 [1,2,0,0,0,0|1,0,0]=4 13097 B11R1.277 CNc1cc(c(cc1F)Br)C 34a_100000691575_200000210301 [1,2,0,0,0,0|1,0,0]=4 13098 B11R1.277 CNc1cc(c(cc1F)Br)C 7a_100000691575_200000210301 [1,2,0,0,0,0|1,0,0]=4 13099 B11R1.277 CNc1cc(c(cc1F)Cl)C 34a_100000091823_200000210301 [1,2,0,0,0,0|1,0,0]=4 13100 B11R1.277 CNc1cc(c(cc1F)Cl)C 7a_100000091823_200000210301 [1,2,0,0,0,0|1,0,0]=4 13101 B11R1.277 CNc1cc(c(cc1I)C)C 34a_100012353678_200000210301 [1,2,0,0,0,0|1,0,0]=4 13102 B11R1.277 CNc1cc(c(cc1I)C)C 7a_100012353678_200000210301 [1,2,0,0,0,0|1,0,0]=4 13103 B11R1.277 CNc1cc(c(cc1I)F)C 34a_100010238302_200000210301 [1,2,0,0,0,0|1,0,0]=4 13104 B11R1.277 CNc1cc(c(cc1I)F)C 7a_100010238302_200000210301 [1,2,0,0,0,0|1,0,0]=4 13105 B11R1.277 CNc1cc(c(cc1O)Br)C 34a_200010107346_200000210301 [1,2,0,0,0,0|1,0,0]=4 13106 B11R1.277 CNc1cc(c(cc1O)C)C 34a_100133014134_200000210301 [1,2,0,0,0,0|1,0,0]=4 13107 B11R1.277 CNc1cc(c(cc1O)C)C 7a_100133014134_200000210301 [1,2,0,0,0,0|1,0,0]=4 13108 B11R1.277 CNc1cc(c(cc1O)F)C 34a_100012022779_200000210301 [1,2,0,0,0,0|1,0,0]=4 13109 B11R1.277 CNc1cc(c(cc1O)F)C 7a_100012022779_200000210301 [1,2,0,0,0,0|1,0,0]=4 13110 B11R1.277 COc1cc(c(cc1Br)C)C 34a_100009814663_200000210301 [1,2,0,0,0,0|1,0,0]=4 13111 B11R1.277 COc1cc(c(cc1Br)C)C 7a_100009814663_200000210301 [1,2,0,0,0,0|1,0,0]=4 13112 B11R1.277 COc1cc(c(cc1Br)Cl)C 34a_100022700756_200000210301 [1,2,0,0,0,0|1,0,0]=4 13113 B11R1.277 COc1cc(c(cc1Br)Cl)C 7a_100022700756_200000210301 [1,2,0,0,0,0|1,0,0]=4 13114 B11R1.277 COc1cc(c(cc1C)Br)C 34a_100000698207_200000210301 [1,2,0,0,0,0|1,0,0]=4 13115 B11R1.277 COc1cc(c(cc1C)Br)C 7a_100000698207_200000210301 [1,2,0,0,0,0|1,0,0]=4 13116 B11R1.277 COc1cc(c(cc1C)C)C 34a_200000047129_200000210301 [1,2,0,0,0,0|1,0,0]=4 13117 B11R1.277 COc1cc(c(cc1C)C)C 7a_200000047129_200000210301 [1,2,0,0,0,0|1,0,0]=4 13118 B11R1.277 COc1cc(c(cc1C)F)C 34a_100010674473_200000210301 [1,2,0,0,0,0|1,0,0]=4 13119 B11R1.277 COc1cc(c(cc1C)F)C 7a_100010674473_200000210301 [1,2,0,0,0,0|1,0,0]=4 13120 B11R1.277 COc1cc(c(cc1C)I)C 34a_200011215153_200000210301 [1,2,0,0,0,0|1,0,0]=4 13121 B11R1.277 COc1cc(c(cc1C)I)C 7a_200011215153_200000210301 [1,2,0,0,0,0|1,0,0]=4 13122 B11R1.277 COc1cc(c(cc1C)N)C 34a_100000720036_200000210301 [1,2,0,0,0,0|1,0,0]=4 13123 B11R1.277 COc1cc(c(cc1C)N)C 7a_100000720036_200000210301 [1,2,0,0,0,0|1,0,0]=4 13124 B11R1.277 COc1cc(c(cc1C)O)C 271570a_203496583355_100000698960 [1,2,0,0,0,0|1,0,0]=4 13125 B11R1.277 COc1cc(c(cc1Cl)Br)C 34a_200012350488_200000210301 [1,2,0,0,0,0|1,0,0]=4 13126 B11R1.277 COc1cc(c(cc1Cl)Br)C 7a_200012350488_200000210301 [1,2,0,0,0,0|1,0,0]=4 13127 B11R1.277 COc1cc(c(cc1Cl)C)C 34a_100000031796_200000210301 [1,2,0,0,0,0|1,0,0]=4 13128 B11R1.277 COc1cc(c(cc1Cl)C)C 7a_100000031796_200000210301 [1,2,0,0,0,0|1,0,0]=4 13129 B11R1.277 COc1cc(c(cc1Cl)Cl)C 34a_100012002691_200000210301 [1,2,0,0,0,0|1,0,0]=4 13130 B11R1.277 COc1cc(c(cc1Cl)Cl)C 7a_100012002691_200000210301 [1,2,0,0,0,0|1,0,0]=4 13131 B11R1.277 COc1cc(c(cc1F)Br)C 34a_100012355673_200000210301 [1,2,0,0,0,0|1,0,0]=4 13132 B11R1.277 COc1cc(c(cc1F)Br)C 7a_100012355673_200000210301 [1,2,0,0,0,0|1,0,0]=4 13133 B11R1.277 COc1cc(c(cc1F)O)C 271570a_203496583355_100010074640 [1,2,0,0,0,0|1,0,0]=4 13134 B11R1.277 COc1cc(c(cc1N)Br)C 34a_200010235796_200000210301 [1,2,0,0,0,0|1,0,0]=4 13135 B11R1.277 COc1cc(c(cc1N)Br)C 7a_200010235796_200000210301 [1,2,0,0,0,0|1,0,0]=4 13136 B11R1.277 COc1cc(c(cc1N)C)C 34a_100133014134_200000210301 [1,2,0,0,0,0|1,0,0]=4 13137 B11R1.277 COc1cc(c(cc1N)C)C 7a_100133014134_200000210301 [1,2,0,0,0,0|1,0,0]=4 13138 B11R1.277 COc1cc(c(cc1N)Cl)C 34a_100000091707_200000210301 [1,2,0,0,0,0|1,0,0]=4 13139 B11R1.277 COc1cc(c(cc1N)Cl)C 7a_100000091707_200000210301 [1,2,0,0,0,0|1,0,0]=4 13140 B11R1.277 COc1cc(c(cc1O)N)C 271570a_203496583355_106657271712 [1,2,0,0,0,0|1,0,0]=4 13141 B11R1.277 CSc1cc(c(cc1Br)F)C 62a_200000210301_200009814773 [1,2,0,0,0,0|1,0,0]=4 13142 B11R1.277 CSc1cc(c(cc1Br)F)C 62a_200009814773_200000210301 [1,2,0,0,0,0|1,0,0]=4 13143 B11R1.277 CSc1cc(c(cc1C)Br)C 62a_100011356911_200000210301 [1,2,0,0,0,0|1,0,0]=4 13144 B11R1.277 CSc1cc(c(cc1C)Br)C 62a_200000210301_100011356911 [1,2,0,0,0,0|1,0,0]=4 13145 B11R1.277 CSc1cc(c(cc1C)C)C 62a_100000759388_200000210301 [1,2,0,0,0,0|1,0,0]=4 13146 B11R1.277 CSc1cc(c(cc1C)C)C 62a_200000210301_100000759388 [1,2,0,0,0,0|1,0,0]=4 13147 B11R1.277 CSc1cc(c(cc1C)Cl)C 62a_100012357408_200000210301 [1,2,0,0,0,0|1,0,0]=4 13148 B11R1.277 CSc1cc(c(cc1C)Cl)C 62a_200000210301_100012357408 [1,2,0,0,0,0|1,0,0]=4 13149 B11R1.277 CSc1cc(c(cc1C)F)C 62a_100010212296_200000210301 [1,2,0,0,0,0|1,0,0]=4 13150 B11R1.277 CSc1cc(c(cc1C)F)C 62a_200000210301_100010212296 [1,2,0,0,0,0|1,0,0]=4 13151 B11R1.277 CSc1cc(c(cc1C)N)C 62a_100011934712_200000210301 [1,2,0,0,0,0|1,0,0]=4 13152 B11R1.277 CSc1cc(c(cc1C)N)C 62a_200000210301_100011934712 [1,2,0,0,0,0|1,0,0]=4 13153 B11R1.277 CSc1cc(c(cc1C)O)C 62a_100000698207_200000210301 [1,2,0,0,0,0|1,0,0]=4 13154 B11R1.277 CSc1cc(c(cc1C)O)C 62a_200000210301_100000698207 [1,2,0,0,0,0|1,0,0]=4 13155 B11R1.277 CSc1cc(c(cc1Cl)Br)C 62a_100010259621_200000210301 [1,2,0,0,0,0|1,0,0]=4 13156 B11R1.277 CSc1cc(c(cc1Cl)Br)C 62a_200000210301_100010259621 [1,2,0,0,0,0|1,0,0]=4 13157 B11R1.277 CSc1cc(c(cc1F)Br)C 62a_200000210301_200009814772 [1,2,0,0,0,0|1,0,0]=4 13158 B11R1.277 CSc1cc(c(cc1F)Br)C 62a_200009814772_200000210301 [1,2,0,0,0,0|1,0,0]=4 13159 B11R1.277 CSc1cc(c(cc1F)C)C 62a_100010197417_200000210301 [1,2,0,0,0,0|1,0,0]=4 13160 B11R1.277 CSc1cc(c(cc1F)C)C 62a_200000210301_100010197417 [1,2,0,0,0,0|1,0,0]=4 13161 B11R1.277 CSc1cc(c(cc1F)F)C 62a_100000692463_200000210301 [1,2,0,0,0,0|1,0,0]=4 13162 B11R1.277 CSc1cc(c(cc1F)F)C 62a_200000210301_100000692463 [1,2,0,0,0,0|1,0,0]=4 13163 B11R1.277 CSc1cc(c(cc1F)N)C 62a_100000695870_200000210301 [1,2,0,0,0,0|1,0,0]=4 13164 B11R1.277 CSc1cc(c(cc1F)N)C 62a_200000210301_100000695870 [1,2,0,0,0,0|1,0,0]=4 13165 B11R1.277 CSc1cc(c(cc1N)Br)C 62a_200000210301_200015600912 [1,2,0,0,0,0|1,0,0]=4 13166 B11R1.277 CSc1cc(c(cc1N)Br)C 62a_200015600912_200000210301 [1,2,0,0,0,0|1,0,0]=4 13167 B11R1.277 CSc1cc(c(cc1N)C)C 62a_100012337760_200000210301 [1,2,0,0,0,0|1,0,0]=4 13168 B11R1.277 CSc1cc(c(cc1N)C)C 62a_200000210301_100012337760 [1,2,0,0,0,0|1,0,0]=4 13169 B11R1.277 CSc1cc(c(cc1N)F)C 62a_100011218008_200000210301 [1,2,0,0,0,0|1,0,0]=4 13170 B11R1.277 CSc1cc(c(cc1N)F)C 62a_200000210301_100011218008 [1,2,0,0,0,0|1,0,0]=4 13171 B11R1.277 CSc1cc(c(cc1N)N)C 62a_200000210301_200013038441 [1,2,0,0,0,0|1,0,0]=4 13172 B11R1.277 CSc1cc(c(cc1N)N)C 62a_200013038441_200000210301 [1,2,0,0,0,0|1,0,0]=4 13173 B11R1.277 CSc1cc(c(cc1O)C)C 62a_100009814663_200000210301 [1,2,0,0,0,0|1,0,0]=4 13174 B11R1.277 CSc1cc(c(cc1O)C)C 62a_200000210301_100009814663 [1,2,0,0,0,0|1,0,0]=4 13175 B11R1.277 Cc1cc(c(cc1Br)Br)N[13CH3] 34a_100009995518_200025704644 [1,2,0,0,0,0|1,0,0]=4 13176 B11R1.277 Cc1cc(c(cc1Br)Br)N[13CH3] 7a_100009995518_200025704644 [1,2,0,0,0,0|1,0,0]=4 13177 B11R1.277 Cc1cc(c(cc1Br)C)N[13CH3] 2230a_100011934712_200025704644 [1,2,0,0,0,0|1,0,0]=4 13178 B11R1.277 Cc1cc(c(cc1Br)C)N[13CH3] 34a_100011934712_200025704644 [1,2,0,0,0,0|1,0,0]=4 13179 B11R1.277 Cc1cc(c(cc1Br)C)N[13CH3] 7a_100011934712_200025704644 [1,2,0,0,0,0|1,0,0]=4 13180 B11R1.277 Cc1cc(c(cc1Br)C)O[13CH3] 34a_100000698207_200025704644 [1,2,0,0,0,0|1,0,0]=4 13181 B11R1.277 Cc1cc(c(cc1Br)C)O[13CH3] 7a_100000698207_200025704644 [1,2,0,0,0,0|1,0,0]=4 13182 B11R1.277 Cc1cc(c(cc1Br)C)S[13CH3] 62a_100011356911_200025704644 [1,2,0,0,0,0|1,0,0]=4 13183 B11R1.277 Cc1cc(c(cc1Br)C)S[13CH3] 62a_200025704644_100011356911 [1,2,0,0,0,0|1,0,0]=4 13184 B11R1.277 Cc1cc(c(cc1Br)Cl)O[13CH3] 34a_200012350488_200025704644 [1,2,0,0,0,0|1,0,0]=4 13185 B11R1.277 Cc1cc(c(cc1Br)Cl)O[13CH3] 7a_200012350488_200025704644 [1,2,0,0,0,0|1,0,0]=4 13186 B11R1.277 Cc1cc(c(cc1Br)Cl)S[13CH3] 62a_100010259621_200025704644 [1,2,0,0,0,0|1,0,0]=4 13187 B11R1.277 Cc1cc(c(cc1Br)Cl)S[13CH3] 62a_200025704644_100010259621 [1,2,0,0,0,0|1,0,0]=4 13188 B11R1.277 Cc1cc(c(cc1Br)F)N[13CH3] 2230a_100000691575_200025704644 [1,2,0,0,0,0|1,0,0]=4 13189 B11R1.277 Cc1cc(c(cc1Br)F)N[13CH3] 34a_100000691575_200025704644 [1,2,0,0,0,0|1,0,0]=4 13190 B11R1.277 Cc1cc(c(cc1Br)F)N[13CH3] 7a_100000691575_200025704644 [1,2,0,0,0,0|1,0,0]=4 13191 B11R1.277 Cc1cc(c(cc1Br)F)O[13CH3] 34a_100012355673_200025704644 [1,2,0,0,0,0|1,0,0]=4 13192 B11R1.277 Cc1cc(c(cc1Br)F)O[13CH3] 7a_100012355673_200025704644 [1,2,0,0,0,0|1,0,0]=4 13193 B11R1.277 Cc1cc(c(cc1Br)F)S[13CH3] 62a_200009814772_200025704644 [1,2,0,0,0,0|1,0,0]=4 13194 B11R1.277 Cc1cc(c(cc1Br)F)S[13CH3] 62a_200025704644_200009814772 [1,2,0,0,0,0|1,0,0]=4 13195 B11R1.277 Cc1cc(c(cc1Br)N)O[13CH3] 34a_200010235796_200025704644 [1,2,0,0,0,0|1,0,0]=4 13196 B11R1.277 Cc1cc(c(cc1Br)N)O[13CH3] 7a_200010235796_200025704644 [1,2,0,0,0,0|1,0,0]=4 13197 B11R1.277 Cc1cc(c(cc1Br)N)S[13CH3] 62a_200015600912_200025704644 [1,2,0,0,0,0|1,0,0]=4 13198 B11R1.277 Cc1cc(c(cc1Br)N)S[13CH3] 62a_200025704644_200015600912 [1,2,0,0,0,0|1,0,0]=4 13199 B11R1.277 Cc1cc(c(cc1Br)O)N[13CH3] 34a_200010107346_200025704644 [1,2,0,0,0,0|1,0,0]=4 13200 B11R1.277 Cc1cc(c(cc1C)C=O)O 271570a_203496583355_100010184403 [1,2,0,0,0,0|0,0,0]=3 13201 B11R1.277 Cc1cc(c(cc1C)N[13CH3])Br 34a_100012337760_200025704644 [1,2,0,0,0,0|1,0,0]=4 13202 B11R1.277 Cc1cc(c(cc1C)N[13CH3])Br 7a_100012337760_200025704644 [1,2,0,0,0,0|1,0,0]=4 13203 B11R1.277 Cc1cc(c(cc1C)N[13CH3])C 2230a_100011217141_200025704644 [1,2,0,0,0,0|1,0,0]=4 13204 B11R1.277 Cc1cc(c(cc1C)N[13CH3])C 34a_100011217141_200025704644 [1,2,0,0,0,0|1,0,0]=4 13205 B11R1.277 Cc1cc(c(cc1C)N[13CH3])C 7a_100011217141_200025704644 [1,2,0,0,0,0|1,0,0]=4 13206 B11R1.277 Cc1cc(c(cc1C)N[13CH3])Cl 34a_100012183282_200025704644 [1,2,0,0,0,0|1,0,0]=4 13207 B11R1.277 Cc1cc(c(cc1C)N[13CH3])Cl 7a_100012183282_200025704644 [1,2,0,0,0,0|1,0,0]=4 13208 B11R1.277 Cc1cc(c(cc1C)N[13CH3])I 34a_100012353678_200025704644 [1,2,0,0,0,0|1,0,0]=4 13209 B11R1.277 Cc1cc(c(cc1C)N[13CH3])I 7a_100012353678_200025704644 [1,2,0,0,0,0|1,0,0]=4 13210 B11R1.277 Cc1cc(c(cc1C)N[13CH3])O 34a_100133014134_200025704644 [1,2,0,0,0,0|1,0,0]=4 13211 B11R1.277 Cc1cc(c(cc1C)N[13CH3])O 7a_100133014134_200025704644 [1,2,0,0,0,0|1,0,0]=4 13212 B11R1.277 Cc1cc(c(cc1C)O[13CH3])Br 34a_100009814663_200025704644 [1,2,0,0,0,0|1,0,0]=4 13213 B11R1.277 Cc1cc(c(cc1C)O[13CH3])Br 7a_100009814663_200025704644 [1,2,0,0,0,0|1,0,0]=4 13214 B11R1.277 Cc1cc(c(cc1C)O[13CH3])C 34a_200000047129_200025704644 [1,2,0,0,0,0|1,0,0]=4 13215 B11R1.277 Cc1cc(c(cc1C)O[13CH3])C 7a_200000047129_200025704644 [1,2,0,0,0,0|1,0,0]=4 13216 B11R1.277 Cc1cc(c(cc1C)O[13CH3])Cl 34a_100000031796_200025704644 [1,2,0,0,0,0|1,0,0]=4 13217 B11R1.277 Cc1cc(c(cc1C)O[13CH3])Cl 7a_100000031796_200025704644 [1,2,0,0,0,0|1,0,0]=4 13218 B11R1.277 Cc1cc(c(cc1C)O[13CH3])N 34a_100133014134_200025704644 [1,2,0,0,0,0|1,0,0]=4 13219 B11R1.277 Cc1cc(c(cc1C)O[13CH3])N 7a_100133014134_200025704644 [1,2,0,0,0,0|1,0,0]=4 13220 B11R1.277 Cc1cc(c(cc1C)S[13CH3])C 62a_100000759388_200025704644 [1,2,0,0,0,0|1,0,0]=4 13221 B11R1.277 Cc1cc(c(cc1C)S[13CH3])C 62a_200025704644_100000759388 [1,2,0,0,0,0|1,0,0]=4 13222 B11R1.277 Cc1cc(c(cc1C)S[13CH3])F 62a_100010197417_200025704644 [1,2,0,0,0,0|1,0,0]=4 13223 B11R1.277 Cc1cc(c(cc1C)S[13CH3])F 62a_200025704644_100010197417 [1,2,0,0,0,0|1,0,0]=4 13224 B11R1.277 Cc1cc(c(cc1C)S[13CH3])N 62a_100012337760_200025704644 [1,2,0,0,0,0|1,0,0]=4 13225 B11R1.277 Cc1cc(c(cc1C)S[13CH3])N 62a_200025704644_100012337760 [1,2,0,0,0,0|1,0,0]=4 13226 B11R1.277 Cc1cc(c(cc1C)S[13CH3])O 62a_100009814663_200025704644 [1,2,0,0,0,0|1,0,0]=4 13227 B11R1.277 Cc1cc(c(cc1C)S[13CH3])O 62a_200025704644_100009814663 [1,2,0,0,0,0|1,0,0]=4 13228 B11R1.277 Cc1cc(c(cc1C=O)F)O 271570a_203496583355_100010186292 [1,2,0,0,0,0|1,0,0]=4 13229 B11R1.277 Cc1cc(c(cc1Cl)Br)O[13CH3] 34a_100022700756_200025704644 [1,2,0,0,0,0|1,0,0]=4 13230 B11R1.277 Cc1cc(c(cc1Cl)Br)O[13CH3] 7a_100022700756_200025704644 [1,2,0,0,0,0|1,0,0]=4 13231 B11R1.277 Cc1cc(c(cc1Cl)C)N[13CH3] 2230a_100011830454_200025704644 [1,2,0,0,0,0|1,0,0]=4 13232 B11R1.277 Cc1cc(c(cc1Cl)C)N[13CH3] 34a_100011830454_200025704644 [1,2,0,0,0,0|1,0,0]=4 13233 B11R1.277 Cc1cc(c(cc1Cl)C)N[13CH3] 7a_100011830454_200025704644 [1,2,0,0,0,0|1,0,0]=4 13234 B11R1.277 Cc1cc(c(cc1Cl)C)S[13CH3] 62a_100012357408_200025704644 [1,2,0,0,0,0|1,0,0]=4 13235 B11R1.277 Cc1cc(c(cc1Cl)C)S[13CH3] 62a_200025704644_100012357408 [1,2,0,0,0,0|1,0,0]=4 13236 B11R1.277 Cc1cc(c(cc1Cl)Cl)N[13CH3] 34a_100012000392_200025704644 [1,2,0,0,0,0|1,0,0]=4 13237 B11R1.277 Cc1cc(c(cc1Cl)Cl)N[13CH3] 7a_100012000392_200025704644 [1,2,0,0,0,0|1,0,0]=4 13238 B11R1.277 Cc1cc(c(cc1Cl)Cl)O[13CH3] 34a_100012002691_200025704644 [1,2,0,0,0,0|1,0,0]=4 13239 B11R1.277 Cc1cc(c(cc1Cl)Cl)O[13CH3] 7a_100012002691_200025704644 [1,2,0,0,0,0|1,0,0]=4 13240 B11R1.277 Cc1cc(c(cc1Cl)F)N[13CH3] 34a_100000091823_200025704644 [1,2,0,0,0,0|1,0,0]=4 13241 B11R1.277 Cc1cc(c(cc1Cl)F)N[13CH3] 7a_100000091823_200025704644 [1,2,0,0,0,0|1,0,0]=4 13242 B11R1.277 Cc1cc(c(cc1Cl)N)O[13CH3] 34a_100000091707_200025704644 [1,2,0,0,0,0|1,0,0]=4 13243 B11R1.277 Cc1cc(c(cc1Cl)N)O[13CH3] 7a_100000091707_200025704644 [1,2,0,0,0,0|1,0,0]=4 13244 B11R1.277 Cc1cc(c(cc1F)Br)N[13CH3] 34a_100010233353_200025704644 [1,2,0,0,0,0|1,0,0]=4 13245 B11R1.277 Cc1cc(c(cc1F)Br)N[13CH3] 7a_100010233353_200025704644 [1,2,0,0,0,0|1,0,0]=4 13246 B11R1.277 Cc1cc(c(cc1F)Br)S[13CH3] 62a_200009814773_200025704644 [1,2,0,0,0,0|1,0,0]=4 13247 B11R1.277 Cc1cc(c(cc1F)Br)S[13CH3] 62a_200025704644_200009814773 [1,2,0,0,0,0|1,0,0]=4 13248 B11R1.277 Cc1cc(c(cc1F)C)O[13CH3] 34a_100010674473_200025704644 [1,2,0,0,0,0|1,0,0]=4 13249 B11R1.277 Cc1cc(c(cc1F)C)O[13CH3] 7a_100010674473_200025704644 [1,2,0,0,0,0|1,0,0]=4 13250 B11R1.277 Cc1cc(c(cc1F)C)S[13CH3] 62a_100010212296_200025704644 [1,2,0,0,0,0|1,0,0]=4 13251 B11R1.277 Cc1cc(c(cc1F)C)S[13CH3] 62a_200025704644_100010212296 [1,2,0,0,0,0|1,0,0]=4 13252 B11R1.277 Cc1cc(c(cc1F)C=O)O 271570a_203496583355_100010186290 [1,2,0,0,0,0|1,0,0]=4 13253 B11R1.277 Cc1cc(c(cc1F)Cl)N[13CH3] 34a_100000729549_200025704644 [1,2,0,0,0,0|1,0,0]=4 13254 B11R1.277 Cc1cc(c(cc1F)Cl)N[13CH3] 7a_100000729549_200025704644 [1,2,0,0,0,0|1,0,0]=4 13255 B11R1.277 Cc1cc(c(cc1F)F)S[13CH3] 62a_100000692463_200025704644 [1,2,0,0,0,0|1,0,0]=4 13256 B11R1.277 Cc1cc(c(cc1F)F)S[13CH3] 62a_200025704644_100000692463 [1,2,0,0,0,0|1,0,0]=4 13257 B11R1.277 Cc1cc(c(cc1F)I)N[13CH3] 34a_100010238302_200025704644 [1,2,0,0,0,0|1,0,0]=4 13258 B11R1.277 Cc1cc(c(cc1F)I)N[13CH3] 7a_100010238302_200025704644 [1,2,0,0,0,0|1,0,0]=4 13259 B11R1.277 Cc1cc(c(cc1F)N)S[13CH3] 62a_100011218008_200025704644 [1,2,0,0,0,0|1,0,0]=4 13260 B11R1.277 Cc1cc(c(cc1F)N)S[13CH3] 62a_200025704644_100011218008 [1,2,0,0,0,0|1,0,0]=4 13261 B11R1.277 Cc1cc(c(cc1F)O)C=O 271570a_203496583355_100009814814 [1,2,0,0,0,0|0,0,0]=3 13262 B11R1.277 Cc1cc(c(cc1F)O)N[13CH3] 34a_100012022779_200025704644 [1,2,0,0,0,0|1,0,0]=4 13263 B11R1.277 Cc1cc(c(cc1F)O)N[13CH3] 7a_100012022779_200025704644 [1,2,0,0,0,0|1,0,0]=4 13264 B11R1.277 Cc1cc(c(cc1I)C)O[13CH3] 34a_200011215153_200025704644 [1,2,0,0,0,0|1,0,0]=4 13265 B11R1.277 Cc1cc(c(cc1I)C)O[13CH3] 7a_200011215153_200025704644 [1,2,0,0,0,0|1,0,0]=4 13266 B11R1.277 Cc1cc(c(cc1N)C)O[13CH3] 34a_100000720036_200025704644 [1,2,0,0,0,0|1,0,0]=4 13267 B11R1.277 Cc1cc(c(cc1N)C)O[13CH3] 7a_100000720036_200025704644 [1,2,0,0,0,0|1,0,0]=4 13268 B11R1.277 Cc1cc(c(cc1N)C)S[13CH3] 62a_100011934712_200025704644 [1,2,0,0,0,0|1,0,0]=4 13269 B11R1.277 Cc1cc(c(cc1N)C)S[13CH3] 62a_200025704644_100011934712 [1,2,0,0,0,0|1,0,0]=4 13270 B11R1.277 Cc1cc(c(cc1N)F)S[13CH3] 62a_100000695870_200025704644 [1,2,0,0,0,0|1,0,0]=4 13271 B11R1.277 Cc1cc(c(cc1N)F)S[13CH3] 62a_200025704644_100000695870 [1,2,0,0,0,0|1,0,0]=4 13272 B11R1.277 Cc1cc(c(cc1N)N)S[13CH3] 62a_200013038441_200025704644 [1,2,0,0,0,0|1,0,0]=4 13273 B11R1.277 Cc1cc(c(cc1N)N)S[13CH3] 62a_200025704644_200013038441 [1,2,0,0,0,0|1,0,0]=4 13274 B11R1.277 Cc1cc(c(cc1O)C)C=O 271570a_203496583355_100012024176 [1,2,0,0,0,0|0,0,0]=3 13275 B11R1.277 Cc1cc(c(cc1O)C)N[13CH3] 34a_100000720036_200025704644 [1,2,0,0,0,0|1,0,0]=4 13276 B11R1.277 Cc1cc(c(cc1O)C)N[13CH3] 7a_100000720036_200025704644 [1,2,0,0,0,0|1,0,0]=4 13277 B11R1.277 Cc1cc(c(cc1O)C)S[13CH3] 62a_100000698207_200025704644 [1,2,0,0,0,0|1,0,0]=4 13278 B11R1.277 Cc1cc(c(cc1O)C)S[13CH3] 62a_200025704644_100000698207 [1,2,0,0,0,0|1,0,0]=4 13279 B11R1.277 Cc1cc(c(cc1O)C=O)F 271570a_203496583355_100010138641 [1,2,0,0,0,0|1,0,0]=4 13280 B11R1.277 Cc1cc(c(cc1O)C=O)O 271570a_203496583355_100010186689 [1,2,0,0,0,0|1,0,0]=4 13281 B11R1.277 Cc1cc(c(cc1O)F)C=O 271570a_203496583355_100010186291 [1,2,0,0,0,0|0,0,0]=3 13282 B11R1.277 Cc1cc(c(cc1O)O)C=O 271570a_203496583355_200010762526 [1,2,0,0,0,0|0,0,0]=3 13283 B11R1.277 Nc1cc(c(cc1C=O)O)F 271570a_203496583355_200010571964 [1,2,0,0,0,0|1,0,0]=4 13284 B11R1.277 O=Cc1cc(c(cc1F)F)O 271570a_203496583355_100009814802 [1,2,0,0,0,0|1,0,0]=4 13285 B11R1.277 O=Cc1cc(c(cc1F)O)F 271570a_203496583355_100011998483 [1,2,0,0,0,0|1,0,0]=4 13286 B11R1.277 O=Cc1cc(c(cc1O)F)F 271570a_203496583355_100012344232 [1,2,0,0,0,0|1,0,0]=4 13287 B11R1.277 O=Cc1cc(c(cc1O)F)O 271570a_203496583355_100010175118 [1,2,0,0,0,0|1,0,0]=4 13288 B11R1.277 O=Cc1cc(c(cc1O)O)F 271570a_203496583355_200010762562 [1,2,0,0,0,0|1,0,0]=4 13289 B11R1.277 O=Cc1cc(c(cc1O)O)O 271570a_203496583355_100010888506 [1,2,0,0,0,0|1,0,0]=4 13290 B11R1.277 O=Cc1cc(c(cc1O)O)O 271570a_203496583355_200010132312 [1,2,0,0,0,0|1,0,0]=4 13291 B11R1.280 C=Cc1cc(ccc1Br)C=O 271570a_100011290941_100010146563 [1,2,0,0,0,0|0,0,1]=4 13292 B11R1.280 C=Cc1cc(ccc1Br)OC 271570a_100011290941_100009992028 [1,2,0,0,0,0|0,0,1]=4 13293 B11R1.280 C=Cc1cc(ccc1C)C=O 271570a_100011290941_100000695567 [1,2,0,0,0,0|0,0,1]=4 13294 B11R1.280 C=Cc1cc(ccc1C)CO 271570a_100011290941_100000050133 [1,2,0,0,0,0|0,0,1]=4 13295 B11R1.280 C=Cc1cc(ccc1C)NC 271570a_100011290941_100000707694 [1,2,0,0,0,0|0,0,1]=4 13296 B11R1.280 C=Cc1cc(ccc1C)OC 271570a_100011290941_100012349166 [1,2,0,0,0,0|0,0,1]=4 13297 B11R1.280 C=Cc1cc(ccc1Cl)C=O 271570a_100011290941_100010209939 [1,2,0,0,0,0|0,0,1]=4 13298 B11R1.280 C=Cc1cc(ccc1Cl)OC 271570a_100011290941_100011356938 [1,2,0,0,0,0|0,0,1]=4 13299 B11R1.280 C=Cc1cc(ccc1F)C=O 271570a_100011290941_100000211747 [1,2,0,0,0,0|0,0,1]=4 13300 B11R1.280 C=Cc1cc(ccc1F)CC 271570a_100011290941_200010244628 [1,2,0,0,0,0|0,0,1]=4 13301 B11R1.280 C=Cc1cc(ccc1F)CN 271570a_100011290941_100015193890 [1,2,0,0,0,0|0,0,1]=4 13302 B11R1.280 C=Cc1cc(ccc1F)CO 271570a_100011290941_100000246287 [1,2,0,0,0,0|0,0,1]=4 13303 B11R1.280 C=Cc1cc(ccc1F)OC 271570a_100011290941_100000699733 [1,2,0,0,0,0|0,0,1]=4 13304 B11R1.280 C=Cc1cc(ccc1F)SC 271570a_100011290941_200010708804 [1,2,0,0,0,0|0,0,1]=4 13305 B11R1.280 C=Cc1cc(ccc1F)SC 62a_100000688377_200000210301 [1,2,0,0,0,0|0,0,1]=4 13306 B11R1.280 C=Cc1cc(ccc1F)SC 62a_200000210301_100000688377 [1,2,0,0,0,0|0,0,1]=4 13307 B11R1.280 C=Cc1cc(ccc1F)S[13CH3] 62a_100000688377_200025704644 [1,2,0,0,0,0|0,0,1]=4 13308 B11R1.280 C=Cc1cc(ccc1F)S[13CH3] 62a_200025704644_100000688377 [1,2,0,0,0,0|0,0,1]=4 13309 B11R1.280 C=Cc1cc(ccc1N)CC 271570a_100011290941_100012339725 [1,2,0,0,0,0|0,0,1]=4 13310 B11R1.280 C=Cc1cc(ccc1N)OC 271570a_100011290941_100015195136 [1,2,0,0,0,0|0,0,1]=4 13311 B11R1.280 C=Cc1cc(ccc1O)C=O 271570a_100011290941_100000184552 [1,2,0,0,0,0|0,0,1]=4 13312 B11R1.280 C=Cc1cc(ccc1O)CC 271570a_100011290941_100012339963 [1,2,0,0,0,0|0,0,1]=4 13313 B11R1.280 C=Cc1cc(ccc1O)CO 271570a_100011290941_100011191544 [1,2,0,0,0,0|0,0,1]=4 13314 B11R1.280 C=Cc1cc(ccc1O)OC 271570a_100011290941_100000685887 [1,2,0,0,0,0|0,0,1]=4 13315 B11R1.280 C=Cc1ccc(c(c1)C=O)Br 271570a_100011290941_100010185652 [1,2,0,0,0,0|0,0,1]=4 13316 B11R1.280 C=Cc1ccc(c(c1)C=O)C 271570a_100011290941_100011361606 [1,2,0,0,0,0|0,0,1]=4 13317 B11R1.280 C=Cc1ccc(c(c1)C=O)Cl 271570a_100011290941_100010254384 [1,2,0,0,0,0|0,0,1]=4 13318 B11R1.280 C=Cc1ccc(c(c1)C=O)F 271570a_100011290941_100000211465 [1,2,0,0,0,0|0,0,1]=4 13319 B11R1.280 C=Cc1ccc(c(c1)C=O)N 271570a_100011290941_100011935258 [1,2,0,0,0,0|0,0,1]=4 13320 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [1,2,0,0,0,0|0,0,1]=4 13321 B11R1.280 C=Cc1ccc(c(c1)CC)Br 271570a_100011290941_100010244631 [1,2,0,0,0,0|0,0,1]=4 13322 B11R1.280 C=Cc1ccc(c(c1)CC)F 271570a_100011290941_100010244625 [1,2,0,0,0,0|0,0,1]=4 13323 B11R1.280 C=Cc1ccc(c(c1)CC)N 271570a_100011290941_100000686106 [1,2,0,0,0,0|0,0,1]=4 13324 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [1,2,0,0,0,0|0,0,1]=4 13325 B11R1.280 C=Cc1ccc(c(c1)CN)F 271570a_100011290941_100009815772 [1,2,0,0,0,0|0,0,1]=4 13326 B11R1.280 C=Cc1ccc(c(c1)CN)N 271570a_100011290941_100012349119 [1,2,0,0,0,0|0,0,1]=4 13327 B11R1.280 C=Cc1ccc(c(c1)CN)O 271570a_100011290941_100000730032 [1,2,0,0,0,0|0,0,1]=4 13328 B11R1.280 C=Cc1ccc(c(c1)CO)Br 271570a_100011290941_100012359683 [1,2,0,0,0,0|0,0,1]=4 13329 B11R1.280 C=Cc1ccc(c(c1)CO)C 271570a_100011290941_100000700630 [1,2,0,0,0,0|0,0,1]=4 13330 B11R1.280 C=Cc1ccc(c(c1)CO)Cl 271570a_100011290941_100010128486 [1,2,0,0,0,0|0,0,1]=4 13331 B11R1.280 C=Cc1ccc(c(c1)CO)F 271570a_100011290941_100000049604 [1,2,0,0,0,0|0,0,1]=4 13332 B11R1.280 C=Cc1ccc(c(c1)CO)N 271570a_100011290941_100012353972 [1,2,0,0,0,0|0,0,1]=4 13333 B11R1.280 C=Cc1ccc(c(c1)CO)O 271570a_100011290941_100000184703 [1,2,0,0,0,0|0,0,1]=4 13334 B11R1.280 C=Cc1ccc(c(c1)NC)C 271570a_100011290941_100020629602 [1,2,0,0,0,0|0,0,1]=4 13335 B11R1.280 C=Cc1ccc(c(c1)NC)F 271570a_100011290941_100011314990 [1,2,0,0,0,0|0,0,1]=4 13336 B11R1.280 C=Cc1ccc(c(c1)NC)N 271570a_100011290941_100000694363 [1,2,0,0,0,0|0,0,1]=4 13337 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [1,2,0,0,0,0|0,0,1]=4 13338 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [1,2,0,0,0,0|0,0,1]=4 13339 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [1,2,0,0,0,0|0,0,1]=4 13340 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [1,2,0,0,0,0|0,0,1]=4 13341 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [1,2,0,0,0,0|0,0,1]=4 13342 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [1,2,0,0,0,0|0,0,1]=4 13343 B11R1.280 C=Cc1ccc(c(c1)SC)F 271570a_100011290941_100010341305 [1,2,0,0,0,0|0,0,1]=4 13344 B11R1.280 CCc1cc(ccc1Br)NC 2230a_100010109747_200000210301 [1,2,0,0,0,0|0,0,1]=4 13345 B11R1.280 CCc1cc(ccc1Br)NC 34a_100010109747_200000210301 [1,2,0,0,0,0|0,0,1]=4 13346 B11R1.280 CCc1cc(ccc1Br)NC 7a_100010109747_200000210301 [1,2,0,0,0,0|0,0,1]=4 13347 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 2230a_100010109747_200025704644 [1,2,0,0,0,0|0,0,1]=4 13348 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 34a_100010109747_200025704644 [1,2,0,0,0,0|0,0,1]=4 13349 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 7a_100010109747_200025704644 [1,2,0,0,0,0|0,0,1]=4 13350 B11R1.280 CCc1cc(ccc1Br)SC 62a_100010244631_200000210301 [1,2,0,0,0,0|0,0,1]=4 13351 B11R1.280 CCc1cc(ccc1Br)SC 62a_200000210301_100010244631 [1,2,0,0,0,0|0,0,1]=4 13352 B11R1.280 CCc1cc(ccc1Br)S[13CH3] 62a_100010244631_200025704644 [1,2,0,0,0,0|0,0,1]=4 13353 B11R1.280 CCc1cc(ccc1Br)S[13CH3] 62a_200025704644_100010244631 [1,2,0,0,0,0|0,0,1]=4 13354 B11R1.280 CCc1cc(ccc1Cl)OC 34a_100000212063_200000210301 [1,2,0,0,0,0|0,0,1]=4 13355 B11R1.280 CCc1cc(ccc1Cl)OC 7a_100000212063_200000210301 [1,2,0,0,0,0|0,0,1]=4 13356 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 34a_100000212063_200025704644 [1,2,0,0,0,0|0,0,1]=4 13357 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 7a_100000212063_200025704644 [1,2,0,0,0,0|0,0,1]=4 13358 B11R1.280 CCc1cc(ccc1F)SC 62a_100010244625_200000210301 [1,2,0,0,0,0|0,0,1]=4 13359 B11R1.280 CCc1cc(ccc1F)SC 62a_200000210301_100010244625 [1,2,0,0,0,0|0,0,1]=4 13360 B11R1.280 CCc1cc(ccc1F)S[13CH3] 62a_100010244625_200025704644 [1,2,0,0,0,0|0,0,1]=4 13361 B11R1.280 CCc1cc(ccc1F)S[13CH3] 62a_200025704644_100010244625 [1,2,0,0,0,0|0,0,1]=4 13362 B11R1.280 CCc1cc(ccc1N)SC 62a_100000686106_200000210301 [1,2,0,0,0,0|0,0,1]=4 13363 B11R1.280 CCc1cc(ccc1N)SC 62a_200000210301_100000686106 [1,2,0,0,0,0|0,0,1]=4 13364 B11R1.280 CCc1cc(ccc1N)S[13CH3] 62a_100000686106_200025704644 [1,2,0,0,0,0|0,0,1]=4 13365 B11R1.280 CCc1cc(ccc1N)S[13CH3] 62a_200025704644_100000686106 [1,2,0,0,0,0|0,0,1]=4 13366 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [1,2,0,0,0,0|0,0,1]=4 13367 B11R1.280 CCc1cc(ccc1O)SC 62a_200000210301_100012338938 [1,2,0,0,0,0|0,0,1]=4 13368 B11R1.280 CCc1cc(ccc1O)S[13CH3] 62a_200025704644_100012338938 [1,2,0,0,0,0|0,0,1]=4 13369 B11R1.280 CCc1ccc(c(c1)NC)C 2230a_200012022522_200000210301 [1,2,0,0,0,0|0,0,1]=4 13370 B11R1.280 CCc1ccc(c(c1)NC)C 34a_200012022522_200000210301 [1,2,0,0,0,0|0,0,1]=4 13371 B11R1.280 CCc1ccc(c(c1)NC)C 7a_200012022522_200000210301 [1,2,0,0,0,0|0,0,1]=4 13372 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [1,2,0,0,0,0|0,0,1]=4 13373 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 2230a_200012022522_200025704644 [1,2,0,0,0,0|0,0,1]=4 13374 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 34a_200012022522_200025704644 [1,2,0,0,0,0|0,0,1]=4 13375 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 7a_200012022522_200025704644 [1,2,0,0,0,0|0,0,1]=4 13376 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [1,2,0,0,0,0|0,0,1]=4 13377 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [1,2,0,0,0,0|0,0,1]=4 13378 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [1,2,0,0,0,0|0,0,1]=4 13379 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [1,2,0,0,0,0|0,0,1]=4 13380 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [1,2,0,0,0,0|0,0,1]=4 13381 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [1,2,0,0,0,0|0,0,1]=4 13382 B11R1.280 CCc1ccc(c(c1)SC)F 62a_200000210301_200010244628 [1,2,0,0,0,0|0,0,1]=4 13383 B11R1.280 CCc1ccc(c(c1)SC)F 62a_200010244628_200000210301 [1,2,0,0,0,0|0,0,1]=4 13384 B11R1.280 CCc1ccc(c(c1)SC)N 62a_100012339725_200000210301 [1,2,0,0,0,0|0,0,1]=4 13385 B11R1.280 CCc1ccc(c(c1)SC)N 62a_200000210301_100012339725 [1,2,0,0,0,0|0,0,1]=4 13386 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [1,2,0,0,0,0|0,0,1]=4 13387 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [1,2,0,0,0,0|0,0,1]=4 13388 B11R1.280 CCc1ccc(c(c1)S[13CH3])F 62a_200010244628_200025704644 [1,2,0,0,0,0|0,0,1]=4 13389 B11R1.280 CCc1ccc(c(c1)S[13CH3])F 62a_200025704644_200010244628 [1,2,0,0,0,0|0,0,1]=4 13390 B11R1.280 CCc1ccc(c(c1)S[13CH3])N 62a_100012339725_200025704644 [1,2,0,0,0,0|0,0,1]=4 13391 B11R1.280 CCc1ccc(c(c1)S[13CH3])N 62a_200025704644_100012339725 [1,2,0,0,0,0|0,0,1]=4 13392 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [1,2,0,0,0,0|0,0,1]=4 13393 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [1,2,0,0,0,0|0,0,1]=4 13394 B11R1.280 CNc1cc(ccc1Br)CO 34a_100012347568_200000210301 [1,2,0,0,0,0|1,0,0]=4 13395 B11R1.280 CNc1cc(ccc1Br)OC 34a_100000748603_200000210301 [1,2,0,0,0,0|1,0,0]=4 13396 B11R1.280 CNc1cc(ccc1C)CO 2230a_100000758420_200000210301 [1,2,0,0,0,0|1,0,0]=4 13397 B11R1.280 CNc1cc(ccc1C)CO 34a_100000758420_200000210301 [1,2,0,0,0,0|1,0,0]=4 13398 B11R1.280 CNc1cc(ccc1C)OC 2230a_100000760359_200000210301 [1,2,0,0,0,0|1,0,0]=4 13399 B11R1.280 CNc1cc(ccc1C)OC 34a_100000760359_200000210301 [1,2,0,0,0,0|1,0,0]=4 13400 B11R1.280 CNc1cc(ccc1C)SC 62a_100020629602_200000210301 [1,2,0,0,0,0|1,0,0]=4 13401 B11R1.280 CNc1cc(ccc1C)SC 62a_200000210301_100020629602 [1,2,0,0,0,0|1,0,0]=4 13402 B11R1.280 CNc1cc(ccc1C)S[13CH3] 62a_100020629602_200025704644 [1,2,0,0,0,0|1,0,0]=4 13403 B11R1.280 CNc1cc(ccc1C)S[13CH3] 62a_200025704644_100020629602 [1,2,0,0,0,0|1,0,0]=4 13404 B11R1.280 CNc1cc(ccc1Cl)CO 34a_106256033963_200000210301 [1,2,0,0,0,0|1,0,0]=4 13405 B11R1.280 CNc1cc(ccc1Cl)OC 34a_100000745576_200000210301 [1,2,0,0,0,0|1,0,0]=4 13406 B11R1.280 CNc1cc(ccc1F)CO 2230a_102125399562_200000210301 [1,2,0,0,0,0|1,0,0]=4 13407 B11R1.280 CNc1cc(ccc1F)CO 34a_102125399562_200000210301 [1,2,0,0,0,0|1,0,0]=4 13408 B11R1.280 CNc1cc(ccc1F)OC 34a_100000764331_200000210301 [1,2,0,0,0,0|1,0,0]=4 13409 B11R1.280 CNc1cc(ccc1F)SC 62a_100011314990_200000210301 [1,2,0,0,0,0|1,0,0]=4 13410 B11R1.280 CNc1cc(ccc1F)SC 62a_200000210301_100011314990 [1,2,0,0,0,0|1,0,0]=4 13411 B11R1.280 CNc1cc(ccc1F)S[13CH3] 62a_100011314990_200025704644 [1,2,0,0,0,0|1,0,0]=4 13412 B11R1.280 CNc1cc(ccc1F)S[13CH3] 62a_200025704644_100011314990 [1,2,0,0,0,0|1,0,0]=4 13413 B11R1.280 CNc1cc(ccc1I)OC 34a_100000748021_200000210301 [1,2,0,0,0,0|1,0,0]=4 13414 B11R1.280 CNc1cc(ccc1N)SC 62a_100000694363_200000210301 [1,2,0,0,0,0|1,0,0]=4 13415 B11R1.280 CNc1cc(ccc1N)S[13CH3] 62a_100000694363_200025704644 [1,2,0,0,0,0|1,0,0]=4 13416 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [1,2,0,0,0,0|1,0,0]=4 13417 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [1,2,0,0,0,0|1,0,0]=4 13418 B11R1.280 CNc1ccc(c(c1)CO)Br 2230a_100012347228_200000210301 [1,2,0,0,0,0|1,0,0]=4 13419 B11R1.280 CNc1ccc(c(c1)CO)Br 34a_100012347228_200000210301 [1,2,0,0,0,0|1,0,0]=4 13420 B11R1.280 CNc1ccc(c(c1)CO)Cl 2230a_100011273577_200000210301 [1,2,0,0,0,0|1,0,0]=4 13421 B11R1.280 CNc1ccc(c(c1)CO)Cl 34a_100011273577_200000210301 [1,2,0,0,0,0|1,0,0]=4 13422 B11R1.280 CNc1ccc(c(c1)CO)F 34a_100011218011_200000210301 [1,2,0,0,0,0|1,0,0]=4 13423 B11R1.280 CNc1ccc(c(c1)OC)Br 2230a_100000765947_200000210301 [1,2,0,0,0,0|1,0,0]=4 13424 B11R1.280 CNc1ccc(c(c1)OC)Br 34a_100000765947_200000210301 [1,2,0,0,0,0|1,0,0]=4 13425 B11R1.280 CNc1ccc(c(c1)OC)C 2230a_100011279678_200000210301 [1,2,0,0,0,0|1,0,0]=4 13426 B11R1.280 CNc1ccc(c(c1)OC)C 34a_100011279678_200000210301 [1,2,0,0,0,0|1,0,0]=4 13427 B11R1.280 CNc1ccc(c(c1)OC)Cl 2230a_100000742311_200000210301 [1,2,0,0,0,0|1,0,0]=4 13428 B11R1.280 CNc1ccc(c(c1)OC)Cl 34a_100000742311_200000210301 [1,2,0,0,0,0|1,0,0]=4 13429 B11R1.280 CNc1ccc(c(c1)OC)F 2230a_100000701188_200000210301 [1,2,0,0,0,0|1,0,0]=4 13430 B11R1.280 CNc1ccc(c(c1)OC)F 34a_100000701188_200000210301 [1,2,0,0,0,0|1,0,0]=4 13431 B11R1.280 CNc1ccc(c(c1)OC)I 34a_100000746945_200000210301 [1,2,0,0,0,0|1,0,0]=4 13432 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [1,2,0,0,0,0|1,0,0]=4 13433 B11R1.280 CNc1ccc(c(c1)SC)C 62a_100000707694_200000210301 [1,2,0,0,0,0|1,0,0]=4 13434 B11R1.280 CNc1ccc(c(c1)SC)C 62a_200000210301_100000707694 [1,2,0,0,0,0|1,0,0]=4 13435 B11R1.280 CNc1ccc(c(c1)S[13CH3])C 62a_100000707694_200025704644 [1,2,0,0,0,0|1,0,0]=4 13436 B11R1.280 CNc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000707694 [1,2,0,0,0,0|1,0,0]=4 13437 B11R1.280 COc1cc(c(cn1)O)C=O 271570a_203496583355_100010171658 [1,2,0,0,0,0|1,0,0]=4 13438 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [1,2,0,0,0,0|1,0,0]=4 13439 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [1,2,0,0,0,0|1,0,0]=4 13440 B11R1.280 COc1cc(ccc1Br)N[13CH3] 2230a_100000765947_200025704644 [1,2,0,0,0,0|1,0,0]=4 13441 B11R1.280 COc1cc(ccc1Br)N[13CH3] 34a_100000765947_200025704644 [1,2,0,0,0,0|1,0,0]=4 13442 B11R1.280 COc1cc(ccc1Br)O[13CH3] 34a_100011827694_200025704644 [1,2,0,0,0,0|1,0,0]=4 13443 B11R1.280 COc1cc(ccc1Br)O[13CH3] 7a_100011827694_200025704644 [1,2,0,0,0,0|1,0,0]=4 13444 B11R1.280 COc1cc(ccc1Br)SC 62a_100012353699_200000210301 [1,2,0,0,0,0|1,0,0]=4 13445 B11R1.280 COc1cc(ccc1Br)SC 62a_200000210301_100012353699 [1,2,0,0,0,0|1,0,0]=4 13446 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_100012353699_200025704644 [1,2,0,0,0,0|1,0,0]=4 13447 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_200025704644_100012353699 [1,2,0,0,0,0|1,0,0]=4 13448 B11R1.280 COc1cc(ccc1C)N[13CH3] 2230a_100011279678_200025704644 [1,2,0,0,0,0|1,0,0]=4 13449 B11R1.280 COc1cc(ccc1C)N[13CH3] 34a_100011279678_200025704644 [1,2,0,0,0,0|1,0,0]=4 13450 B11R1.280 COc1cc(ccc1C)O[13CH3] 34a_100009865632_200025704644 [1,2,0,0,0,0|1,0,0]=4 13451 B11R1.280 COc1cc(ccc1C)O[13CH3] 7a_100009865632_200025704644 [1,2,0,0,0,0|1,0,0]=4 13452 B11R1.280 COc1cc(ccc1C)SC 62a_100011830276_200000210301 [1,2,0,0,0,0|1,0,0]=4 13453 B11R1.280 COc1cc(ccc1C)SC 62a_200000210301_100011830276 [1,2,0,0,0,0|1,0,0]=4 13454 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_100011830276_200025704644 [1,2,0,0,0,0|1,0,0]=4 13455 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_200025704644_100011830276 [1,2,0,0,0,0|1,0,0]=4 13456 B11R1.280 COc1cc(ccc1Cl)CN 34a_100020636435_200000210301 [1,2,0,0,0,0|1,0,0]=4 13457 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [1,2,0,0,0,0|1,0,0]=4 13458 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [1,2,0,0,0,0|1,0,0]=4 13459 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 2230a_100000742311_200025704644 [1,2,0,0,0,0|1,0,0]=4 13460 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 34a_100000742311_200025704644 [1,2,0,0,0,0|1,0,0]=4 13461 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 34a_100012186310_200025704644 [1,2,0,0,0,0|1,0,0]=4 13462 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 7a_100012186310_200025704644 [1,2,0,0,0,0|1,0,0]=4 13463 B11R1.280 COc1cc(ccc1Cl)SC 62a_100011356853_200000210301 [1,2,0,0,0,0|1,0,0]=4 13464 B11R1.280 COc1cc(ccc1Cl)SC 62a_200000210301_100011356853 [1,2,0,0,0,0|1,0,0]=4 13465 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_100011356853_200025704644 [1,2,0,0,0,0|1,0,0]=4 13466 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100011356853 [1,2,0,0,0,0|1,0,0]=4 13467 B11R1.280 COc1cc(ccc1F)CN 34a_100160469508_200000210301 [1,2,0,0,0,0|1,0,0]=4 13468 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [1,2,0,0,0,0|1,0,0]=4 13469 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [1,2,0,0,0,0|1,0,0]=4 13470 B11R1.280 COc1cc(ccc1F)N[13CH3] 2230a_100000701188_200025704644 [1,2,0,0,0,0|1,0,0]=4 13471 B11R1.280 COc1cc(ccc1F)N[13CH3] 34a_100000701188_200025704644 [1,2,0,0,0,0|1,0,0]=4 13472 B11R1.280 COc1cc(ccc1F)O[13CH3] 34a_100012001760_200025704644 [1,2,0,0,0,0|1,0,0]=4 13473 B11R1.280 COc1cc(ccc1F)O[13CH3] 7a_100012001760_200025704644 [1,2,0,0,0,0|1,0,0]=4 13474 B11R1.280 COc1cc(ccc1F)SC 62a_100011934186_200000210301 [1,2,0,0,0,0|1,0,0]=4 13475 B11R1.280 COc1cc(ccc1F)SC 62a_200000210301_100011934186 [1,2,0,0,0,0|1,0,0]=4 13476 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_100011934186_200025704644 [1,2,0,0,0,0|1,0,0]=4 13477 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_200025704644_100011934186 [1,2,0,0,0,0|1,0,0]=4 13478 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [1,2,0,0,0,0|1,0,0]=4 13479 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [1,2,0,0,0,0|1,0,0]=4 13480 B11R1.280 COc1cc(ccc1I)N[13CH3] 34a_100000746945_200025704644 [1,2,0,0,0,0|1,0,0]=4 13481 B11R1.280 COc1cc(ccc1N)O[13CH3] 34a_100015326901_200025704644 [1,2,0,0,0,0|1,0,0]=4 13482 B11R1.280 COc1cc(ccc1N)O[13CH3] 7a_100015326901_200025704644 [1,2,0,0,0,0|1,0,0]=4 13483 B11R1.280 COc1cc(ccc1N)SC 62a_100011279103_200000210301 [1,2,0,0,0,0|1,0,0]=4 13484 B11R1.280 COc1cc(ccc1N)SC 62a_200000210301_100015196925 [1,2,0,0,0,0|1,0,0]=4 13485 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_100011279103_200025704644 [1,2,0,0,0,0|1,0,0]=4 13486 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_200025704644_100015196925 [1,2,0,0,0,0|1,0,0]=4 13487 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [1,2,0,0,0,0|0,0,0]=3 13488 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [1,2,0,0,0,0|1,0,0]=4 13489 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [1,2,0,0,0,0|1,0,0]=4 13490 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [1,2,0,0,0,0|1,0,0]=4 13491 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [1,2,0,0,0,0|1,0,0]=4 13492 B11R1.280 COc1ccc(c(c1)C=O)O 271570a_203496583355_100000691568 [1,2,0,0,0,0|0,0,0]=3 13493 B11R1.280 COc1ccc(c(c1)CN)C 34a_200009844824_200000210301 [1,2,0,0,0,0|1,0,0]=4 13494 B11R1.280 COc1ccc(c(c1)CN)O 271570a_203496583355_100000741592 [1,2,0,0,0,0|1,0,0]=4 13495 B11R1.280 COc1ccc(c(c1)CO)Br 34a_100012351483_200000210301 [1,2,0,0,0,0|1,0,0]=4 13496 B11R1.280 COc1ccc(c(c1)CO)Br 7a_100012351483_200000210301 [1,2,0,0,0,0|1,0,0]=4 13497 B11R1.280 COc1ccc(c(c1)CO)C 34a_100009878257_200000210301 [1,2,0,0,0,0|1,0,0]=4 13498 B11R1.280 COc1ccc(c(c1)CO)C 7a_100009878257_200000210301 [1,2,0,0,0,0|1,0,0]=4 13499 B11R1.280 COc1ccc(c(c1)CO)Cl 34a_100000091669_200000210301 [1,2,0,0,0,0|1,0,0]=4 13500 B11R1.280 COc1ccc(c(c1)CO)Cl 7a_100000091669_200000210301 [1,2,0,0,0,0|1,0,0]=4 13501 B11R1.280 COc1ccc(c(c1)CO)O 271570a_203496583355_200011273942 [1,2,0,0,0,0|1,0,0]=4 13502 B11R1.280 COc1ccc(c(c1)N[13CH3])Br 34a_100000748603_200025704644 [1,2,0,0,0,0|1,0,0]=4 13503 B11R1.280 COc1ccc(c(c1)N[13CH3])C 2230a_100000760359_200025704644 [1,2,0,0,0,0|1,0,0]=4 13504 B11R1.280 COc1ccc(c(c1)N[13CH3])C 34a_100000760359_200025704644 [1,2,0,0,0,0|1,0,0]=4 13505 B11R1.280 COc1ccc(c(c1)N[13CH3])Cl 34a_100000745576_200025704644 [1,2,0,0,0,0|1,0,0]=4 13506 B11R1.280 COc1ccc(c(c1)N[13CH3])F 34a_100000764331_200025704644 [1,2,0,0,0,0|1,0,0]=4 13507 B11R1.280 COc1ccc(c(c1)N[13CH3])I 34a_100000748021_200025704644 [1,2,0,0,0,0|1,0,0]=4 13508 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [1,2,0,0,0,0|1,0,0]=4 13509 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100000719091_200000210301 [1,2,0,0,0,0|1,0,0]=4 13510 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100011827694_200000210301 [1,2,0,0,0,0|1,0,0]=4 13511 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100000719091_200000210301 [1,2,0,0,0,0|1,0,0]=4 13512 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100011827694_200000210301 [1,2,0,0,0,0|1,0,0]=4 13513 B11R1.280 COc1ccc(c(c1)OC)C 34a_100009865632_200000210301 [1,2,0,0,0,0|1,0,0]=4 13514 B11R1.280 COc1ccc(c(c1)OC)C 34a_100012179981_200000210301 [1,2,0,0,0,0|1,0,0]=4 13515 B11R1.280 COc1ccc(c(c1)OC)C 7a_100009865632_200000210301 [1,2,0,0,0,0|1,0,0]=4 13516 B11R1.280 COc1ccc(c(c1)OC)C 7a_100012179981_200000210301 [1,2,0,0,0,0|1,0,0]=4 13517 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100011516019_200000210301 [1,2,0,0,0,0|1,0,0]=4 13518 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100012186310_200000210301 [1,2,0,0,0,0|1,0,0]=4 13519 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100011516019_200000210301 [1,2,0,0,0,0|1,0,0]=4 13520 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100012186310_200000210301 [1,2,0,0,0,0|1,0,0]=4 13521 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012001760_200000210301 [1,2,0,0,0,0|1,0,0]=4 13522 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012178750_200000210301 [1,2,0,0,0,0|1,0,0]=4 13523 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012001760_200000210301 [1,2,0,0,0,0|1,0,0]=4 13524 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012178750_200000210301 [1,2,0,0,0,0|1,0,0]=4 13525 B11R1.280 COc1ccc(c(c1)OC)I 34a_100010168831_200000210301 [1,2,0,0,0,0|1,0,0]=4 13526 B11R1.280 COc1ccc(c(c1)OC)I 7a_100010168831_200000210301 [1,2,0,0,0,0|1,0,0]=4 13527 B11R1.280 COc1ccc(c(c1)OC)N 34a_100015326901_200000210301 [1,2,0,0,0,0|1,0,0]=4 13528 B11R1.280 COc1ccc(c(c1)OC)N 34a_100016989039_200000210301 [1,2,0,0,0,0|1,0,0]=4 13529 B11R1.280 COc1ccc(c(c1)OC)N 7a_100015326901_200000210301 [1,2,0,0,0,0|1,0,0]=4 13530 B11R1.280 COc1ccc(c(c1)OC)N 7a_100016989039_200000210301 [1,2,0,0,0,0|1,0,0]=4 13531 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [1,2,0,0,0,0|1,0,0]=4 13532 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 34a_100000719091_200025704644 [1,2,0,0,0,0|1,0,0]=4 13533 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 7a_100000719091_200025704644 [1,2,0,0,0,0|1,0,0]=4 13534 B11R1.280 COc1ccc(c(c1)O[13CH3])C 34a_100012179981_200025704644 [1,2,0,0,0,0|1,0,0]=4 13535 B11R1.280 COc1ccc(c(c1)O[13CH3])C 7a_100012179981_200025704644 [1,2,0,0,0,0|1,0,0]=4 13536 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 34a_100011516019_200025704644 [1,2,0,0,0,0|1,0,0]=4 13537 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 7a_100011516019_200025704644 [1,2,0,0,0,0|1,0,0]=4 13538 B11R1.280 COc1ccc(c(c1)O[13CH3])F 34a_100012178750_200025704644 [1,2,0,0,0,0|1,0,0]=4 13539 B11R1.280 COc1ccc(c(c1)O[13CH3])F 7a_100012178750_200025704644 [1,2,0,0,0,0|1,0,0]=4 13540 B11R1.280 COc1ccc(c(c1)O[13CH3])I 34a_100010168831_200025704644 [1,2,0,0,0,0|1,0,0]=4 13541 B11R1.280 COc1ccc(c(c1)O[13CH3])I 7a_100010168831_200025704644 [1,2,0,0,0,0|1,0,0]=4 13542 B11R1.280 COc1ccc(c(c1)O[13CH3])N 34a_100016989039_200025704644 [1,2,0,0,0,0|1,0,0]=4 13543 B11R1.280 COc1ccc(c(c1)O[13CH3])N 7a_100016989039_200025704644 [1,2,0,0,0,0|1,0,0]=4 13544 B11R1.280 COc1ccc(c(c1)SC)Br 62a_100009992028_200000210301 [1,2,0,0,0,0|1,0,0]=4 13545 B11R1.280 COc1ccc(c(c1)SC)Br 62a_200000210301_100009992028 [1,2,0,0,0,0|1,0,0]=4 13546 B11R1.280 COc1ccc(c(c1)SC)C 62a_100012349166_200000210301 [1,2,0,0,0,0|1,0,0]=4 13547 B11R1.280 COc1ccc(c(c1)SC)C 62a_200000210301_100012349166 [1,2,0,0,0,0|1,0,0]=4 13548 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_100011356938_200000210301 [1,2,0,0,0,0|1,0,0]=4 13549 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_200000210301_100011356938 [1,2,0,0,0,0|1,0,0]=4 13550 B11R1.280 COc1ccc(c(c1)SC)F 62a_100000699733_200000210301 [1,2,0,0,0,0|1,0,0]=4 13551 B11R1.280 COc1ccc(c(c1)SC)F 62a_200000210301_100000699733 [1,2,0,0,0,0|1,0,0]=4 13552 B11R1.280 COc1ccc(c(c1)SC)N 62a_100015195136_200000210301 [1,2,0,0,0,0|1,0,0]=4 13553 B11R1.280 COc1ccc(c(c1)SC)N 62a_200000210301_100015195136 [1,2,0,0,0,0|1,0,0]=4 13554 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [1,2,0,0,0,0|1,0,0]=4 13555 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_100009992028_200025704644 [1,2,0,0,0,0|1,0,0]=4 13556 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100009992028 [1,2,0,0,0,0|1,0,0]=4 13557 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_100012349166_200025704644 [1,2,0,0,0,0|1,0,0]=4 13558 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_200025704644_100012349166 [1,2,0,0,0,0|1,0,0]=4 13559 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_100011356938_200025704644 [1,2,0,0,0,0|1,0,0]=4 13560 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011356938 [1,2,0,0,0,0|1,0,0]=4 13561 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_100000699733_200025704644 [1,2,0,0,0,0|1,0,0]=4 13562 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000699733 [1,2,0,0,0,0|1,0,0]=4 13563 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_100015195136_200025704644 [1,2,0,0,0,0|1,0,0]=4 13564 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_200025704644_100015195136 [1,2,0,0,0,0|1,0,0]=4 13565 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [1,2,0,0,0,0|1,0,0]=4 13566 B11R1.280 COc1ccc(c(n1)C=O)O 271570a_203496583355_200010173843 [1,2,0,0,0,0|1,0,0]=4 13567 B11R1.280 CSc1cc(c(cn1)Br)C=O 62a_200000210301_200135154921 [1,2,0,0,0,0|1,0,0]=4 13568 B11R1.280 CSc1cc(c(cn1)Br)C=O 62a_200135154921_200000210301 [1,2,0,0,0,0|1,0,0]=4 13569 B11R1.280 CSc1cc(c(cn1)F)C=O 62a_100000707870_200000210301 [1,2,0,0,0,0|1,0,0]=4 13570 B11R1.280 CSc1cc(c(cn1)F)C=O 62a_200000210301_100000707870 [1,2,0,0,0,0|1,0,0]=4 13571 B11R1.280 CSc1cc(c(cn1)O)C=O 62a_200000210301_100000048449 [1,2,0,0,0,0|1,0,0]=4 13572 B11R1.280 CSc1cc(ccc1Br)C=O 62a_100010146563_200000210301 [1,2,0,0,0,0|0,0,0]=3 13573 B11R1.280 CSc1cc(ccc1Br)C=O 62a_200000210301_100010146563 [1,2,0,0,0,0|0,0,0]=3 13574 B11R1.280 CSc1cc(ccc1C)C=O 62a_100000695567_200000210301 [1,2,0,0,0,0|0,0,0]=3 13575 B11R1.280 CSc1cc(ccc1C)C=O 62a_200000210301_100000695567 [1,2,0,0,0,0|0,0,0]=3 13576 B11R1.280 CSc1cc(ccc1C)CO 62a_100000708995_200000210301 [1,2,0,0,0,0|1,0,0]=4 13577 B11R1.280 CSc1cc(ccc1C)CO 62a_200000210301_100000708995 [1,2,0,0,0,0|1,0,0]=4 13578 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_100010209939_200000210301 [1,2,0,0,0,0|0,0,0]=3 13579 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_200000210301_100010209939 [1,2,0,0,0,0|0,0,0]=3 13580 B11R1.280 CSc1cc(ccc1F)C=O 62a_100000211747_200000210301 [1,2,0,0,0,0|0,0,0]=3 13581 B11R1.280 CSc1cc(ccc1F)C=O 62a_200000210301_100000211747 [1,2,0,0,0,0|0,0,0]=3 13582 B11R1.280 CSc1cc(ccc1F)CN 62a_100015193890_200000210301 [1,2,0,0,0,0|1,0,0]=4 13583 B11R1.280 CSc1cc(ccc1F)CN 62a_200000210301_100015193890 [1,2,0,0,0,0|1,0,0]=4 13584 B11R1.280 CSc1cc(ccc1F)CO 62a_100000246287_200000210301 [1,2,0,0,0,0|1,0,0]=4 13585 B11R1.280 CSc1cc(ccc1F)CO 62a_200000210301_100000246287 [1,2,0,0,0,0|1,0,0]=4 13586 B11R1.280 CSc1cc(ccc1F)S[13CH3] 62a_100010341305_200025704644 [1,2,0,0,0,0|1,0,0]=4 13587 B11R1.280 CSc1cc(ccc1F)S[13CH3] 62a_200025704644_100010341305 [1,2,0,0,0,0|1,0,0]=4 13588 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [1,2,0,0,0,0|0,0,0]=3 13589 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [1,2,0,0,0,0|0,0,0]=3 13590 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [1,2,0,0,0,0|1,0,0]=4 13591 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [1,2,0,0,0,0|1,0,0]=4 13592 B11R1.280 CSc1cc(cnc1N)C=O 62a_100010064899_200000210301 [1,2,0,0,0,0|1,0,0]=4 13593 B11R1.280 CSc1cc(cnc1N)C=O 62a_200000210301_100010064899 [1,2,0,0,0,0|1,0,0]=4 13594 B11R1.280 CSc1cc(cnc1O)C=O 62a_100010064886_200000210301 [1,2,0,0,0,0|1,0,0]=4 13595 B11R1.280 CSc1cc(cnc1O)C=O 62a_200000210301_100010064886 [1,2,0,0,0,0|1,0,0]=4 13596 B11R1.280 CSc1cc(ncc1C)C=O 62a_100010174032_200000210301 [1,2,0,0,0,0|1,0,0]=4 13597 B11R1.280 CSc1cc(ncc1C)C=O 62a_200000210301_100010174032 [1,2,0,0,0,0|1,0,0]=4 13598 B11R1.280 CSc1ccc(c(c1)C=O)Br 62a_100010185652_200000210301 [1,2,0,0,0,0|0,0,0]=3 13599 B11R1.280 CSc1ccc(c(c1)C=O)Br 62a_200000210301_100010185652 [1,2,0,0,0,0|0,0,0]=3 13600 B11R1.280 CSc1ccc(c(c1)C=O)C 62a_100011361606_200000210301 [1,2,0,0,0,0|0,0,0]=3 13601 B11R1.280 CSc1ccc(c(c1)C=O)C 62a_200000210301_100011361606 [1,2,0,0,0,0|0,0,0]=3 13602 B11R1.280 CSc1ccc(c(c1)C=O)Cl 62a_100010254384_200000210301 [1,2,0,0,0,0|0,0,0]=3 13603 B11R1.280 CSc1ccc(c(c1)C=O)Cl 62a_200000210301_100010254384 [1,2,0,0,0,0|0,0,0]=3 13604 B11R1.280 CSc1ccc(c(c1)C=O)F 62a_100000050626_200000210301 [1,2,0,0,0,0|0,0,0]=3 13605 B11R1.280 CSc1ccc(c(c1)C=O)F 62a_200000210301_100000050626 [1,2,0,0,0,0|0,0,0]=3 13606 B11R1.280 CSc1ccc(c(c1)C=O)N 62a_100011935258_200000210301 [1,2,0,0,0,0|0,0,0]=3 13607 B11R1.280 CSc1ccc(c(c1)C=O)O 62a_200000210301_100000186750 [1,2,0,0,0,0|0,0,0]=3 13608 B11R1.280 CSc1ccc(c(c1)CN)F 62a_100009815772_200000210301 [1,2,0,0,0,0|1,0,0]=4 13609 B11R1.280 CSc1ccc(c(c1)CN)F 62a_200000210301_100009815772 [1,2,0,0,0,0|1,0,0]=4 13610 B11R1.280 CSc1ccc(c(c1)CN)N 62a_100012349119_200000210301 [1,2,0,0,0,0|1,0,0]=4 13611 B11R1.280 CSc1ccc(c(c1)CN)N 62a_200000210301_100012349119 [1,2,0,0,0,0|1,0,0]=4 13612 B11R1.280 CSc1ccc(c(c1)CN)O 62a_100000730032_200000210301 [1,2,0,0,0,0|1,0,0]=4 13613 B11R1.280 CSc1ccc(c(c1)CN)O 62a_200000210301_100000730032 [1,2,0,0,0,0|1,0,0]=4 13614 B11R1.280 CSc1ccc(c(c1)CO)Br 62a_100012359683_200000210301 [1,2,0,0,0,0|1,0,0]=4 13615 B11R1.280 CSc1ccc(c(c1)CO)Br 62a_200000210301_100012359683 [1,2,0,0,0,0|1,0,0]=4 13616 B11R1.280 CSc1ccc(c(c1)CO)C 62a_100000700630_200000210301 [1,2,0,0,0,0|1,0,0]=4 13617 B11R1.280 CSc1ccc(c(c1)CO)C 62a_200000210301_100000700630 [1,2,0,0,0,0|1,0,0]=4 13618 B11R1.280 CSc1ccc(c(c1)CO)Cl 62a_100010128486_200000210301 [1,2,0,0,0,0|1,0,0]=4 13619 B11R1.280 CSc1ccc(c(c1)CO)Cl 62a_200000210301_100010128486 [1,2,0,0,0,0|1,0,0]=4 13620 B11R1.280 CSc1ccc(c(c1)CO)F 62a_100000246282_200000210301 [1,2,0,0,0,0|1,0,0]=4 13621 B11R1.280 CSc1ccc(c(c1)CO)F 62a_200000210301_100000246282 [1,2,0,0,0,0|1,0,0]=4 13622 B11R1.280 CSc1ccc(c(c1)CO)N 62a_100012353972_200000210301 [1,2,0,0,0,0|1,0,0]=4 13623 B11R1.280 CSc1ccc(c(c1)CO)N 62a_200000210301_100012353972 [1,2,0,0,0,0|1,0,0]=4 13624 B11R1.280 CSc1ccc(c(c1)CO)O 62a_100000184703_200000210301 [1,2,0,0,0,0|1,0,0]=4 13625 B11R1.280 CSc1ccc(c(c1)CO)O 62a_200000210301_100000184703 [1,2,0,0,0,0|1,0,0]=4 13626 B11R1.280 CSc1ccc(c(c1)SC)F 62a_100010341305_200000210301 [1,2,0,0,0,0|1,0,0]=4 13627 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200000210301_100010341305 [1,2,0,0,0,0|1,0,0]=4 13628 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200000210301_200010708804 [1,2,0,0,0,0|1,0,0]=4 13629 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200010708804_200000210301 [1,2,0,0,0,0|1,0,0]=4 13630 B11R1.280 CSc1ccc(c(c1)S[13CH3])F 62a_200010708804_200025704644 [1,2,0,0,0,0|1,0,0]=4 13631 B11R1.280 CSc1ccc(c(c1)S[13CH3])F 62a_200025704644_200010708804 [1,2,0,0,0,0|1,0,0]=4 13632 B11R1.280 CSc1ccc(c(n1)C=O)F 62a_100009814804_200000210301 [1,2,0,0,0,0|1,0,0]=4 13633 B11R1.280 CSc1ccc(c(n1)C=O)F 62a_200000210301_100009814804 [1,2,0,0,0,0|1,0,0]=4 13634 B11R1.280 CSc1cnc(c(c1)C=O)F 62a_100009814789_200000210301 [1,2,0,0,0,0|1,0,0]=4 13635 B11R1.280 CSc1cnc(c(c1)C=O)F 62a_200000210301_100009814789 [1,2,0,0,0,0|1,0,0]=4 13636 B11R1.280 CSc1cnc(c(c1)C=O)N 62a_100009814808_200000210301 [1,2,0,0,0,0|1,0,0]=4 13637 B11R1.280 CSc1cnc(c(c1)C=O)N 62a_200000210301_100009814808 [1,2,0,0,0,0|1,0,0]=4 13638 B11R1.280 CSc1cnc(c(c1)C=O)O 62a_100010064889_200000210301 [1,2,0,0,0,0|1,0,0]=4 13639 B11R1.280 CSc1cnc(c(c1)C=O)O 62a_200000210301_100010064889 [1,2,0,0,0,0|1,0,0]=4 13640 B11R1.280 Cc1ccc(cc1C=O)S[13CH3] 62a_100011361606_200025704644 [1,2,0,0,0,0|0,0,0]=3 13641 B11R1.280 Cc1ccc(cc1C=O)S[13CH3] 62a_200025704644_100011361606 [1,2,0,0,0,0|0,0,0]=3 13642 B11R1.280 Cc1ccc(cc1CN)O[13CH3] 34a_200009844824_200025704644 [1,2,0,0,0,0|1,0,0]=4 13643 B11R1.280 Cc1ccc(cc1CO)O[13CH3] 34a_100009878257_200025704644 [1,2,0,0,0,0|1,0,0]=4 13644 B11R1.280 Cc1ccc(cc1CO)O[13CH3] 7a_100009878257_200025704644 [1,2,0,0,0,0|1,0,0]=4 13645 B11R1.280 Cc1ccc(cc1CO)S[13CH3] 62a_100000700630_200025704644 [1,2,0,0,0,0|1,0,0]=4 13646 B11R1.280 Cc1ccc(cc1CO)S[13CH3] 62a_200025704644_100000700630 [1,2,0,0,0,0|1,0,0]=4 13647 B11R1.280 Cc1ccc(cc1N[13CH3])CO 2230a_100000758420_200025704644 [1,2,0,0,0,0|1,0,0]=4 13648 B11R1.280 Cc1ccc(cc1N[13CH3])CO 34a_100000758420_200025704644 [1,2,0,0,0,0|1,0,0]=4 13649 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_100000695567_200025704644 [1,2,0,0,0,0|0,0,0]=3 13650 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000695567 [1,2,0,0,0,0|0,0,0]=3 13651 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_100000708995_200025704644 [1,2,0,0,0,0|1,0,0]=4 13652 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_200025704644_100000708995 [1,2,0,0,0,0|1,0,0]=4 13653 B11R1.280 Cc1cnc(cc1S[13CH3])C=O 62a_100010174032_200025704644 [1,2,0,0,0,0|1,0,0]=4 13654 B11R1.280 Cc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010174032 [1,2,0,0,0,0|1,0,0]=4 13655 B11R1.280 N#Cc1cc(ccc1O)C=O 271570a_203496583355_100010128726 [1,2,0,0,0,0|0,0,1]=4 13656 B11R1.280 N#Cc1ccc(c(c1)C=O)O 271570a_203496583355_100012179093 [1,2,0,0,0,0|0,0,1]=4 13657 B11R1.280 O=Cc1ccc(c(c1)CO)O 271570a_203496583355_100015639582 [1,2,0,0,0,0|0,0,0]=3 13658 B11R1.280 [13CH3]Nc1cc(ccc1Br)CO 34a_100012347568_200025704644 [1,2,0,0,0,0|1,0,0]=4 13659 B11R1.280 [13CH3]Nc1cc(ccc1Cl)CO 34a_106256033963_200025704644 [1,2,0,0,0,0|1,0,0]=4 13660 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 2230a_102125399562_200025704644 [1,2,0,0,0,0|1,0,0]=4 13661 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 34a_102125399562_200025704644 [1,2,0,0,0,0|1,0,0]=4 13662 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [1,2,0,0,0,0|1,0,0]=4 13663 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Br 2230a_100012347228_200025704644 [1,2,0,0,0,0|1,0,0]=4 13664 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Br 34a_100012347228_200025704644 [1,2,0,0,0,0|1,0,0]=4 13665 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Cl 2230a_100011273577_200025704644 [1,2,0,0,0,0|1,0,0]=4 13666 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Cl 34a_100011273577_200025704644 [1,2,0,0,0,0|1,0,0]=4 13667 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)F 34a_100011218011_200025704644 [1,2,0,0,0,0|1,0,0]=4 13668 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [1,2,0,0,0,0|1,0,0]=4 13669 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [1,2,0,0,0,0|1,0,0]=4 13670 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CN 34a_100020636435_200025704644 [1,2,0,0,0,0|1,0,0]=4 13671 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [1,2,0,0,0,0|1,0,0]=4 13672 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [1,2,0,0,0,0|1,0,0]=4 13673 B11R1.280 [13CH3]Oc1cc(ccc1F)CN 34a_100160469508_200025704644 [1,2,0,0,0,0|1,0,0]=4 13674 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [1,2,0,0,0,0|1,0,0]=4 13675 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [1,2,0,0,0,0|1,0,0]=4 13676 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [1,2,0,0,0,0|1,0,0]=4 13677 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [1,2,0,0,0,0|1,0,0]=4 13678 B11R1.280 [13CH3]Oc1ccc(c(c1)CO)Br 34a_100012351483_200025704644 [1,2,0,0,0,0|1,0,0]=4 13679 B11R1.280 [13CH3]Oc1ccc(c(c1)CO)Br 7a_100012351483_200025704644 [1,2,0,0,0,0|1,0,0]=4 13680 B11R1.280 [13CH3]Oc1ccc(c(c1)CO)Cl 34a_100000091669_200025704644 [1,2,0,0,0,0|1,0,0]=4 13681 B11R1.280 [13CH3]Oc1ccc(c(c1)CO)Cl 7a_100000091669_200025704644 [1,2,0,0,0,0|1,0,0]=4 13682 B11R1.280 [13CH3]Sc1cc(c(cn1)Br)C=O 62a_200025704644_200135154921 [1,2,0,0,0,0|1,0,0]=4 13683 B11R1.280 [13CH3]Sc1cc(c(cn1)Br)C=O 62a_200135154921_200025704644 [1,2,0,0,0,0|1,0,0]=4 13684 B11R1.280 [13CH3]Sc1cc(c(cn1)F)C=O 62a_100000707870_200025704644 [1,2,0,0,0,0|1,0,0]=4 13685 B11R1.280 [13CH3]Sc1cc(c(cn1)F)C=O 62a_200025704644_100000707870 [1,2,0,0,0,0|1,0,0]=4 13686 B11R1.280 [13CH3]Sc1cc(c(cn1)O)C=O 62a_200025704644_100000048449 [1,2,0,0,0,0|1,0,0]=4 13687 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_100010146563_200025704644 [1,2,0,0,0,0|0,0,0]=3 13688 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_200025704644_100010146563 [1,2,0,0,0,0|0,0,0]=3 13689 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_100010209939_200025704644 [1,2,0,0,0,0|0,0,0]=3 13690 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_200025704644_100010209939 [1,2,0,0,0,0|0,0,0]=3 13691 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_100000211747_200025704644 [1,2,0,0,0,0|0,0,0]=3 13692 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_200025704644_100000211747 [1,2,0,0,0,0|0,0,0]=3 13693 B11R1.280 [13CH3]Sc1cc(ccc1F)CN 62a_100015193890_200025704644 [1,2,0,0,0,0|1,0,0]=4 13694 B11R1.280 [13CH3]Sc1cc(ccc1F)CN 62a_200025704644_100015193890 [1,2,0,0,0,0|1,0,0]=4 13695 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_100000246287_200025704644 [1,2,0,0,0,0|1,0,0]=4 13696 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_200025704644_100000246287 [1,2,0,0,0,0|1,0,0]=4 13697 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [1,2,0,0,0,0|0,0,0]=3 13698 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [1,2,0,0,0,0|0,0,0]=3 13699 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [1,2,0,0,0,0|1,0,0]=4 13700 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [1,2,0,0,0,0|1,0,0]=4 13701 B11R1.280 [13CH3]Sc1cc(cnc1N)C=O 62a_100010064899_200025704644 [1,2,0,0,0,0|1,0,0]=4 13702 B11R1.280 [13CH3]Sc1cc(cnc1N)C=O 62a_200025704644_100010064899 [1,2,0,0,0,0|1,0,0]=4 13703 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_100010064886_200025704644 [1,2,0,0,0,0|1,0,0]=4 13704 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_200025704644_100010064886 [1,2,0,0,0,0|1,0,0]=4 13705 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Br 62a_100010185652_200025704644 [1,2,0,0,0,0|0,0,0]=3 13706 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Br 62a_200025704644_100010185652 [1,2,0,0,0,0|0,0,0]=3 13707 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Cl 62a_100010254384_200025704644 [1,2,0,0,0,0|0,0,0]=3 13708 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Cl 62a_200025704644_100010254384 [1,2,0,0,0,0|0,0,0]=3 13709 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)F 62a_100000050626_200025704644 [1,2,0,0,0,0|0,0,0]=3 13710 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)F 62a_200025704644_100000050626 [1,2,0,0,0,0|0,0,0]=3 13711 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)N 62a_100011935258_200025704644 [1,2,0,0,0,0|0,0,0]=3 13712 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)O 62a_200025704644_100000186750 [1,2,0,0,0,0|0,0,0]=3 13713 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)F 62a_100009815772_200025704644 [1,2,0,0,0,0|1,0,0]=4 13714 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)F 62a_200025704644_100009815772 [1,2,0,0,0,0|1,0,0]=4 13715 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)N 62a_100012349119_200025704644 [1,2,0,0,0,0|1,0,0]=4 13716 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)N 62a_200025704644_100012349119 [1,2,0,0,0,0|1,0,0]=4 13717 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)O 62a_100000730032_200025704644 [1,2,0,0,0,0|1,0,0]=4 13718 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)O 62a_200025704644_100000730032 [1,2,0,0,0,0|1,0,0]=4 13719 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)Br 62a_100012359683_200025704644 [1,2,0,0,0,0|1,0,0]=4 13720 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)Br 62a_200025704644_100012359683 [1,2,0,0,0,0|1,0,0]=4 13721 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)Cl 62a_100010128486_200025704644 [1,2,0,0,0,0|1,0,0]=4 13722 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)Cl 62a_200025704644_100010128486 [1,2,0,0,0,0|1,0,0]=4 13723 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)F 62a_100000246282_200025704644 [1,2,0,0,0,0|1,0,0]=4 13724 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)F 62a_200025704644_100000246282 [1,2,0,0,0,0|1,0,0]=4 13725 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)N 62a_100012353972_200025704644 [1,2,0,0,0,0|1,0,0]=4 13726 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)N 62a_200025704644_100012353972 [1,2,0,0,0,0|1,0,0]=4 13727 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_100000184703_200025704644 [1,2,0,0,0,0|1,0,0]=4 13728 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_200025704644_100000184703 [1,2,0,0,0,0|1,0,0]=4 13729 B11R1.280 [13CH3]Sc1ccc(c(n1)C=O)F 62a_100009814804_200025704644 [1,2,0,0,0,0|1,0,0]=4 13730 B11R1.280 [13CH3]Sc1ccc(c(n1)C=O)F 62a_200025704644_100009814804 [1,2,0,0,0,0|1,0,0]=4 13731 B11R1.280 [13CH3]Sc1cnc(c(c1)C=O)F 62a_100009814789_200025704644 [1,2,0,0,0,0|1,0,0]=4 13732 B11R1.280 [13CH3]Sc1cnc(c(c1)C=O)F 62a_200025704644_100009814789 [1,2,0,0,0,0|1,0,0]=4 13733 B11R1.280 [13CH3]Sc1cnc(c(c1)C=O)N 62a_100009814808_200025704644 [1,2,0,0,0,0|1,0,0]=4 13734 B11R1.280 [13CH3]Sc1cnc(c(c1)C=O)N 62a_200025704644_100009814808 [1,2,0,0,0,0|1,0,0]=4 13735 B11R1.280 [13CH3]Sc1cnc(c(c1)C=O)O 62a_100010064889_200025704644 [1,2,0,0,0,0|1,0,0]=4 13736 B11R1.280 [13CH3]Sc1cnc(c(c1)C=O)O 62a_200025704644_100010064889 [1,2,0,0,0,0|1,0,0]=4 13737 B11R1.279 C=Cc1ccc(c(c1)C)C#N 271570a_100011290941_100000687762 [1,2,0,0,0,0|0,0,1]=4 13738 B11R1.279 C=Cc1ccc(c(c1)C)C=O 271570a_100011290941_100000687586 [1,2,0,0,0,0|0,0,1]=4 13739 B11R1.279 C=Cc1ccc(c(c1)C)CF 271570a_100011290941_200010711859 [1,2,0,0,0,0|0,0,1]=4 13740 B11R1.279 C=Cc1ccc(c(c1)C)CN 271570a_100011290941_100000753881 [1,2,0,0,0,0|0,0,1]=4 13741 B11R1.279 C=Cc1ccc(c(c1)C)CO 271570a_100011290941_100000748258 [1,2,0,0,0,0|0,0,1]=4 13742 B11R1.279 C=Cc1ccc(c(c1)C)NC 271570a_100011290941_100000221803 [1,2,0,0,0,0|0,0,1]=4 13743 B11R1.279 C=Cc1ccc(c(c1)C)NN 271570a_100011290941_100000751375 [1,2,0,0,0,0|0,0,1]=4 13744 B11R1.279 C=Cc1ccc(c(c1)C)OC 271570a_100011290941_100011219705 [1,2,0,0,0,0|0,0,1]=4 13745 B11R1.279 C=Cc1ccc(cc1C)C=O 271570a_100011290941_100000765772 [1,2,0,0,0,0|0,0,0]=3 13746 B11R1.279 C=Cc1ccc(cc1C)NC 271570a_100011290941_100102888905 [1,2,0,0,0,0|1,0,0]=4 13747 B11R1.279 C=Cc1ccc(cc1C)OC 271570a_100011290941_100000759875 [1,2,0,0,0,0|1,0,0]=4 13748 B11R1.279 C=Cc1ccc(cc1F)C=O 271570a_100011290941_100000686674 [1,2,0,0,0,0|1,0,0]=4 13749 B11R1.279 C=Cc1ccc(cc1O)C=O 271570a_100011290941_100000041418 [1,2,0,0,0,0|1,0,0]=4 13750 B11R1.279 C=Cc1ccc(nc1C)C=O 271570a_100011290941_100010238520 [1,2,0,0,0,0|1,0,0]=4 13751 B11R1.279 C=Cc1cnc(cc1C)C=O 271570a_100011290941_100009814806 [1,2,0,0,0,0|1,0,0]=4 13752 B11R1.279 C=Cc1ncc(cc1C)C=O 271570a_100011290941_100000070293 [1,2,0,0,0,0|1,0,0]=4 13753 B11R1.279 CCc1ccc(c(c1)C)NC 2230a_100011226020_200000210301 [1,2,0,0,0,0|0,0,1]=4 13754 B11R1.279 CCc1ccc(c(c1)C)NC 34a_100011226020_200000210301 [1,2,0,0,0,0|0,0,1]=4 13755 B11R1.279 CCc1ccc(c(c1)C)NC 7a_100011226020_200000210301 [1,2,0,0,0,0|0,0,1]=4 13756 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 2230a_100011226020_200025704644 [1,2,0,0,0,0|0,0,1]=4 13757 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 34a_100011226020_200025704644 [1,2,0,0,0,0|0,0,1]=4 13758 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 7a_100011226020_200025704644 [1,2,0,0,0,0|0,0,1]=4 13759 B11R1.279 CNc1ccc(c(c1)C)C#N 34a_100011999795_200000210301 [1,2,0,0,0,0|1,0,0]=4 13760 B11R1.279 CNc1ccc(c(c1)C)C#N 7a_100011999795_200000210301 [1,2,0,0,0,0|1,0,0]=4 13761 B11R1.279 CNc1ccc(c(c1)C)CO 34a_100000102464_200000210301 [1,2,0,0,0,0|1,0,0]=4 13762 B11R1.279 CNc1ccc(c(c1)C)OC 2230a_100000743268_200000210301 [1,2,0,0,0,0|1,0,0]=4 13763 B11R1.279 CNc1ccc(c(c1)C)OC 34a_100000743268_200000210301 [1,2,0,0,0,0|1,0,0]=4 13764 B11R1.279 CNc1ccc(c(c1)C)OC 7a_100000743268_200000210301 [1,2,0,0,0,0|1,0,0]=4 13765 B11R1.279 CNc1ccc(c(c1)C)SC 62a_100102888905_200000210301 [1,2,0,0,0,0|1,0,0]=4 13766 B11R1.279 CNc1ccc(c(c1)C)SC 62a_200000210301_100102888905 [1,2,0,0,0,0|1,0,0]=4 13767 B11R1.279 CNc1ccc(c(c1)C)S[13CH3] 62a_100102888905_200025704644 [1,2,0,0,0,0|1,0,0]=4 13768 B11R1.279 CNc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100102888905 [1,2,0,0,0,0|1,0,0]=4 13769 B11R1.279 CNc1ccc(cc1C)OC 34a_100000750285_200000210301 [1,2,0,0,0,0|1,0,0]=4 13770 B11R1.279 CNc1ccc(cc1C)OC 34a_100161107805_200000210301 [1,2,0,0,0,0|1,0,0]=4 13771 B11R1.279 CNc1ccc(cc1C)OC 7a_100161107805_200000210301 [1,2,0,0,0,0|1,0,0]=4 13772 B11R1.279 CNc1ccc(cc1C)O[13CH3] 34a_100161107805_200025704644 [1,2,0,0,0,0|1,0,0]=4 13773 B11R1.279 CNc1ccc(cc1C)O[13CH3] 7a_100161107805_200025704644 [1,2,0,0,0,0|1,0,0]=4 13774 B11R1.279 CNc1ccc(cc1C)SC 62a_100000221803_200000210301 [1,2,0,0,0,0|1,0,0]=4 13775 B11R1.279 CNc1ccc(cc1C)SC 62a_200000210301_100000221803 [1,2,0,0,0,0|1,0,0]=4 13776 B11R1.279 CNc1ccc(cc1C)S[13CH3] 62a_100000221803_200025704644 [1,2,0,0,0,0|1,0,0]=4 13777 B11R1.279 CNc1ccc(cc1C)S[13CH3] 62a_200025704644_100000221803 [1,2,0,0,0,0|1,0,0]=4 13778 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [1,2,0,0,0,0|1,0,0]=4 13779 B11R1.279 COc1ccc(c(c1)C)C#N 34a_100000720286_200000210301 [1,2,0,0,0,0|1,0,0]=4 13780 B11R1.279 COc1ccc(c(c1)C)C#N 7a_100000720286_200000210301 [1,2,0,0,0,0|1,0,0]=4 13781 B11R1.279 COc1ccc(c(c1)C)N[13CH3] 34a_100000750285_200025704644 [1,2,0,0,0,0|1,0,0]=4 13782 B11R1.279 COc1ccc(c(c1)C)OC 34a_100000759738_200000210301 [1,2,0,0,0,0|1,0,0]=4 13783 B11R1.279 COc1ccc(c(c1)C)OC 34a_100012002223_200000210301 [1,2,0,0,0,0|1,0,0]=4 13784 B11R1.279 COc1ccc(c(c1)C)OC 7a_100000759738_200000210301 [1,2,0,0,0,0|1,0,0]=4 13785 B11R1.279 COc1ccc(c(c1)C)OC 7a_100012002223_200000210301 [1,2,0,0,0,0|1,0,0]=4 13786 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 34a_100012002223_200025704644 [1,2,0,0,0,0|1,0,0]=4 13787 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 7a_100012002223_200025704644 [1,2,0,0,0,0|1,0,0]=4 13788 B11R1.279 COc1ccc(c(c1)C)SC 34a_100000030144_200000210301 [1,2,0,0,0,0|1,0,0]=4 13789 B11R1.279 COc1ccc(c(c1)C)SC 62a_100000759875_200000210301 [1,2,0,0,0,0|1,0,0]=4 13790 B11R1.279 COc1ccc(c(c1)C)SC 62a_200000210301_100000759875 [1,2,0,0,0,0|1,0,0]=4 13791 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_100000759875_200025704644 [1,2,0,0,0,0|1,0,0]=4 13792 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000759875 [1,2,0,0,0,0|1,0,0]=4 13793 B11R1.279 COc1ccc(cc1C)N[13CH3] 2230a_100000743268_200025704644 [1,2,0,0,0,0|1,0,0]=4 13794 B11R1.279 COc1ccc(cc1C)N[13CH3] 34a_100000743268_200025704644 [1,2,0,0,0,0|1,0,0]=4 13795 B11R1.279 COc1ccc(cc1C)N[13CH3] 7a_100000743268_200025704644 [1,2,0,0,0,0|1,0,0]=4 13796 B11R1.279 COc1ccc(cc1C)O[13CH3] 34a_100000759738_200025704644 [1,2,0,0,0,0|1,0,0]=4 13797 B11R1.279 COc1ccc(cc1C)O[13CH3] 7a_100000759738_200025704644 [1,2,0,0,0,0|1,0,0]=4 13798 B11R1.279 COc1ccc(cc1C)SC 62a_100011219705_200000210301 [1,2,0,0,0,0|1,0,0]=4 13799 B11R1.279 COc1ccc(cc1C)SC 62a_200000210301_100011219705 [1,2,0,0,0,0|1,0,0]=4 13800 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_100011219705_200025704644 [1,2,0,0,0,0|1,0,0]=4 13801 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_200025704644_100011219705 [1,2,0,0,0,0|1,0,0]=4 13802 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [1,2,0,0,0,0|1,0,0]=4 13803 B11R1.279 CSc1ccc(c(c1)C)C#N 62a_200000210301_100000687762 [1,2,0,0,0,0|1,0,0]=4 13804 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_100000766358_200000210301 [1,2,0,0,0,0|1,0,0]=4 13805 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_200000210301_100000766358 [1,2,0,0,0,0|1,0,0]=4 13806 B11R1.279 CSc1ccc(c(c1)C)CF 62a_200000210301_200010711859 [1,2,0,0,0,0|1,0,0]=4 13807 B11R1.279 CSc1ccc(c(c1)C)CF 62a_200010711859_200000210301 [1,2,0,0,0,0|1,0,0]=4 13808 B11R1.279 CSc1ccc(c(c1)C)CN 62a_100000753881_200000210301 [1,2,0,0,0,0|1,0,0]=4 13809 B11R1.279 CSc1ccc(c(c1)C)CN 62a_200000210301_100000753881 [1,2,0,0,0,0|1,0,0]=4 13810 B11R1.279 CSc1ccc(c(c1)C)CO 62a_100000748258_200000210301 [1,2,0,0,0,0|1,0,0]=4 13811 B11R1.279 CSc1ccc(c(c1)C)CO 62a_200000210301_100000748258 [1,2,0,0,0,0|1,0,0]=4 13812 B11R1.279 CSc1ccc(c(c1)C)NN 62a_100000751375_200000210301 [1,2,0,0,0,0|1,0,0]=4 13813 B11R1.279 CSc1ccc(c(c1)C)NN 62a_200000210301_100000751375 [1,2,0,0,0,0|1,0,0]=4 13814 B11R1.279 CSc1ccc(cc1C)C=O 62a_100000765772_200000210301 [1,2,0,0,0,0|0,0,0]=3 13815 B11R1.279 CSc1ccc(cc1C)C=O 62a_200000210301_100000765772 [1,2,0,0,0,0|0,0,0]=3 13816 B11R1.279 CSc1ccc(cc1C)O[13CH3] 34a_100000030144_200025704644 [1,2,0,0,0,0|1,0,0]=4 13817 B11R1.279 CSc1ccc(cc1F)C=O 62a_100000686674_200000210301 [1,2,0,0,0,0|1,0,0]=4 13818 B11R1.279 CSc1ccc(cc1F)C=O 62a_200000210301_100000686674 [1,2,0,0,0,0|1,0,0]=4 13819 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [1,2,0,0,0,0|1,0,0]=4 13820 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [1,2,0,0,0,0|1,0,0]=4 13821 B11R1.279 CSc1ccc(nc1C)C=O 62a_100010238520_200000210301 [1,2,0,0,0,0|1,0,0]=4 13822 B11R1.279 CSc1ccc(nc1C)C=O 62a_200000210301_100010238520 [1,2,0,0,0,0|1,0,0]=4 13823 B11R1.279 CSc1cnc(cc1C)C=O 62a_100009814806_200000210301 [1,2,0,0,0,0|1,0,0]=4 13824 B11R1.279 CSc1cnc(cc1C)C=O 62a_200000210301_100009814806 [1,2,0,0,0,0|1,0,0]=4 13825 B11R1.279 CSc1ncc(cc1C)C=O 62a_100000070293_200000210301 [1,2,0,0,0,0|1,0,0]=4 13826 B11R1.279 CSc1ncc(cc1C)C=O 62a_200000210301_100000070293 [1,2,0,0,0,0|1,0,0]=4 13827 B11R1.279 Cc1cc(ccc1C#N)N[13CH3] 34a_100011999795_200025704644 [1,2,0,0,0,0|1,0,0]=4 13828 B11R1.279 Cc1cc(ccc1C#N)N[13CH3] 7a_100011999795_200025704644 [1,2,0,0,0,0|1,0,0]=4 13829 B11R1.279 Cc1cc(ccc1C#N)O[13CH3] 34a_100000720286_200025704644 [1,2,0,0,0,0|1,0,0]=4 13830 B11R1.279 Cc1cc(ccc1C#N)O[13CH3] 7a_100000720286_200025704644 [1,2,0,0,0,0|1,0,0]=4 13831 B11R1.279 Cc1cc(ccc1C#N)S[13CH3] 62a_200025704644_100000687762 [1,2,0,0,0,0|1,0,0]=4 13832 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_100000766358_200025704644 [1,2,0,0,0,0|1,0,0]=4 13833 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100000766358 [1,2,0,0,0,0|1,0,0]=4 13834 B11R1.279 Cc1cc(ccc1CF)S[13CH3] 62a_200010711859_200025704644 [1,2,0,0,0,0|1,0,0]=4 13835 B11R1.279 Cc1cc(ccc1CF)S[13CH3] 62a_200025704644_200010711859 [1,2,0,0,0,0|1,0,0]=4 13836 B11R1.279 Cc1cc(ccc1CN)S[13CH3] 62a_100000753881_200025704644 [1,2,0,0,0,0|1,0,0]=4 13837 B11R1.279 Cc1cc(ccc1CN)S[13CH3] 62a_200025704644_100000753881 [1,2,0,0,0,0|1,0,0]=4 13838 B11R1.279 Cc1cc(ccc1CO)N[13CH3] 34a_100000102464_200025704644 [1,2,0,0,0,0|1,0,0]=4 13839 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_100000748258_200025704644 [1,2,0,0,0,0|1,0,0]=4 13840 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_200025704644_100000748258 [1,2,0,0,0,0|1,0,0]=4 13841 B11R1.279 Cc1cc(ccc1NN)S[13CH3] 62a_100000751375_200025704644 [1,2,0,0,0,0|1,0,0]=4 13842 B11R1.279 Cc1cc(ccc1NN)S[13CH3] 62a_200025704644_100000751375 [1,2,0,0,0,0|1,0,0]=4 13843 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_100000765772_200025704644 [1,2,0,0,0,0|0,0,0]=3 13844 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_200025704644_100000765772 [1,2,0,0,0,0|0,0,0]=3 13845 B11R1.279 Cc1cc(cnc1S[13CH3])C=O 62a_100000070293_200025704644 [1,2,0,0,0,0|1,0,0]=4 13846 B11R1.279 Cc1cc(cnc1S[13CH3])C=O 62a_200025704644_100000070293 [1,2,0,0,0,0|1,0,0]=4 13847 B11R1.279 Cc1cc(ncc1S[13CH3])C=O 62a_100009814806_200025704644 [1,2,0,0,0,0|1,0,0]=4 13848 B11R1.279 Cc1cc(ncc1S[13CH3])C=O 62a_200025704644_100009814806 [1,2,0,0,0,0|1,0,0]=4 13849 B11R1.279 Cc1nc(ccc1S[13CH3])C=O 62a_100010238520_200025704644 [1,2,0,0,0,0|1,0,0]=4 13850 B11R1.279 Cc1nc(ccc1S[13CH3])C=O 62a_200025704644_100010238520 [1,2,0,0,0,0|1,0,0]=4 13851 B11R1.279 N#Cc1ccc(cc1O)C=O 271570a_203496583355_100012355660 [1,2,0,0,0,0|1,0,0]=4 13852 B11R1.279 O=Cc1ccc(c(c1)O)C=O 271570a_203496583355_100015597013 [1,2,0,0,0,0|1,0,0]=4 13853 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_100000686674_200025704644 [1,2,0,0,0,0|1,0,0]=4 13854 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_200025704644_100000686674 [1,2,0,0,0,0|1,0,0]=4 13855 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [1,2,0,0,0,0|1,0,0]=4 13856 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [1,2,0,0,0,0|1,0,0]=4 13857 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [1,2,0,0,0,0|0,0,0]=3 13858 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [1,2,0,0,0,0|0,0,0]=3 13859 B11R1.3 C=C(C)c1ccc(cc1)C#N 271570a_100000694244_100000179745 [1,2,0,0,0,0|1,0,0]=4 13860 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [1,2,0,0,0,0|1,0,0]=4 13861 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [1,2,0,0,0,0|1,0,0]=4 13862 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [1,2,0,0,0,0|1,0,0]=4 13863 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [1,2,0,0,0,0|1,0,0]=4 13864 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [1,2,0,0,0,0|1,0,0]=4 13865 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [1,2,0,0,0,0|1,0,0]=4 13866 B11R1.3 C=C(C)c1ccc(cc1)NN 271570a_100000694244_100016988836 [1,2,0,0,0,0|1,0,0]=4 13867 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [1,2,0,0,0,0|1,0,0]=4 13868 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [1,2,0,0,0,0|1,0,0]=4 13869 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [1,2,0,0,0,0|1,0,0]=4 13870 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [1,2,0,0,0,0|1,0,0]=4 13871 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [1,2,0,0,0,0|1,0,0]=4 13872 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [1,2,0,0,0,0|1,0,0]=4 13873 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [1,2,0,0,0,0|1,0,0]=4 13874 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [1,2,0,0,0,0|1,0,0]=4 13875 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [1,2,0,0,0,0|1,0,0]=4 13876 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [1,2,0,0,0,0|1,0,0]=4 13877 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [1,2,0,0,0,0|1,0,0]=4 13878 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [1,2,0,0,0,0|0,0,0]=3 13879 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [1,2,0,0,0,0|0,0,0]=3 13880 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [1,2,0,0,0,0|1,0,0]=4 13881 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [1,2,0,0,0,0|0,0,0]=3 13882 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [1,2,0,0,0,0|1,0,0]=4 13883 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [1,2,0,0,0,0|1,0,0]=4 13884 B11R1.3 C=Cc1ccc(nc1)C(=O)C 271570a_100011290941_100000686046 [1,2,0,0,0,0|1,0,0]=4 13885 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [1,2,0,0,0,0|0,0,0]=3 13886 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [1,2,0,0,0,0|0,0,0]=3 13887 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [1,2,0,0,0,0|0,0,0]=3 13888 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [1,2,0,0,0,0|0,0,0]=3 13889 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [1,2,0,0,0,0|0,0,0]=3 13890 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [1,2,0,0,0,0|0,0,0]=3 13891 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [1,2,0,0,0,0|1,0,0]=4 13892 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [1,2,0,0,0,0|1,0,0]=4 13893 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [1,2,0,0,0,0|1,0,0]=4 13894 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [1,2,0,0,0,0|1,0,0]=4 13895 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [1,2,0,0,0,0|1,0,0]=4 13896 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [1,2,0,0,0,0|1,0,0]=4 13897 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [1,2,0,0,0,0|0,0,0]=3 13898 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [1,2,0,0,0,0|0,0,0]=3 13899 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [1,2,0,0,0,0|1,0,0]=4 13900 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [1,2,0,0,0,0|1,0,0]=4 13901 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [1,2,0,0,0,0|1,0,0]=4 13902 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [1,2,0,0,0,0|0,0,0]=3 13903 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [1,2,0,0,0,0|0,0,0]=3 13904 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [1,2,0,0,0,0|0,0,0]=3 13905 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [1,2,0,0,0,0|1,0,0]=4 13906 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [1,2,0,0,0,0|1,0,0]=4 13907 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [1,2,0,0,0,0|0,0,0]=3 13908 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [1,2,0,0,0,0|1,0,0]=4 13909 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [1,2,0,0,0,0|1,0,0]=4 13910 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [1,2,0,0,0,0|1,0,0]=4 13911 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [1,2,0,0,0,0|1,0,0]=4 13912 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [1,2,0,0,0,0|1,0,0]=4 13913 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [1,2,0,0,0,0|1,0,0]=4 13914 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [1,2,0,0,0,0|1,0,0]=4 13915 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [1,2,0,0,0,0|0,0,0]=3 13916 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [1,2,0,0,0,0|0,0,0]=3 13917 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [1,2,0,0,0,0|0,0,0]=3 13918 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [1,2,0,0,0,0|1,0,0]=4 13919 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [1,2,0,0,0,0|1,0,0]=4 13920 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [1,2,0,0,0,0|0,0,0]=3 13921 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [1,2,0,0,0,0|1,0,0]=4 13922 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [1,2,0,0,0,0|1,0,0]=4 13923 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [1,2,0,0,0,0|1,0,0]=4 13924 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [1,2,0,0,0,0|1,0,0]=4 13925 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [1,2,0,0,0,0|1,0,0]=4 13926 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [1,2,0,0,0,0|0,0,0]=3 13927 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [1,2,0,0,0,0|0,0,0]=3 13928 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [1,2,0,0,0,0|1,0,0]=4 13929 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [1,2,0,0,0,0|1,0,0]=4 13930 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [1,2,0,0,0,0|1,0,0]=4 13931 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [1,2,0,0,0,0|1,0,0]=4 13932 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [1,2,0,0,0,0|1,0,0]=4 13933 B11R1.19 CS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765142 [1,2,0,0,0,0|1,0,0]=4 13934 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,2,0,0,0,0|0,0,0]=3 13935 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,2,0,0,0,0|0,0,0]=3 13936 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,2,0,0,0,0|0,0,0]=3 13937 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,2,0,0,0,0|0,0,0]=3 13938 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,2,0,0,0,0|0,0,0]=3 13939 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,2,0,0,0,0|0,0,0]=3 13940 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,2,0,0,0,0|0,0,0]=3 13941 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [1,2,0,0,0,0|1,0,0]=4 13942 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [1,2,0,0,0,0|0,0,0]=3 13943 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [1,2,0,0,0,0|0,0,0]=3 13944 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [1,2,0,0,0,0|0,0,0]=3 13945 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [1,2,0,0,0,0|0,0,0]=3 13946 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [1,2,0,0,0,0|0,0,0]=3 13947 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [1,2,0,0,0,0|0,0,0]=3 13948 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [1,2,0,0,0,0|0,0,0]=3 13949 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [1,2,0,0,0,0|0,0,0]=3 13950 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [1,2,0,0,0,0|0,0,0]=3 13951 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [1,2,0,0,0,0|0,0,0]=3 13952 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [1,2,0,0,0,0|0,0,0]=3 13953 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [1,2,0,0,0,0|0,0,0]=3 13954 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [1,2,0,0,0,0|0,0,0]=3 13955 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [1,2,0,0,0,0|0,0,0]=3 13956 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [1,2,0,0,0,0|0,0,0]=3 13957 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [1,2,0,0,0,0|0,0,0]=3 13958 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [1,2,0,0,0,0|0,0,0]=3 13959 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [1,2,0,0,0,0|0,0,0]=3 13960 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [1,2,0,0,0,0|0,0,0]=3 13961 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [1,2,0,0,0,0|0,0,0]=3 13962 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,2,0,0,0,0|0,0,0]=3 13963 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,2,0,0,0,0|0,0,0]=3 13964 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,2,0,0,0,0|0,0,0]=3 13965 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [1,2,0,0,0,0|1,0,0]=4 13966 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [1,2,0,0,0,0|1,0,0]=4 13967 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,2,0,0,0,0|0,0,0]=3 13968 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [1,2,0,0,0,0|1,0,0]=4 13969 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [1,2,0,0,0,0|1,0,0]=4 13970 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [1,2,0,0,0,0|0,0,0]=3 13971 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [1,2,0,0,0,0|0,0,1]=4 13972 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,2,0,0,0,0|0,0,0]=3 13973 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [1,2,0,0,0,0|1,0,0]=4 13974 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [1,2,0,0,0,0|0,0,0]=3 13975 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [1,2,0,0,0,0|0,0,0]=3 13976 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [1,2,0,0,0,0|0,0,0]=3 13977 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [1,2,0,0,0,0|0,0,0]=3 13978 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,2,0,0,0,0|0,0,0]=3 13979 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,2,0,0,0,0|0,0,0]=3 13980 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,2,0,0,0,0|0,0,1]=4 13981 B11R1.166 C=C(C)c1ccc(cc1Br)Br 271570a_100000694244_100011484698 [1,2,0,0,0,0|1,0,0]=4 13982 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [1,2,0,0,0,0|1,0,0]=4 13983 B11R1.166 C=C(C)c1ccc(cc1Br)Cl 271570a_100000694244_100011219703 [1,2,0,0,0,0|1,0,0]=4 13984 B11R1.166 C=C(C)c1ccc(cc1Br)F 271570a_100000694244_100011217111 [1,2,0,0,0,0|1,0,0]=4 13985 B11R1.166 C=C(C)c1ccc(cc1Br)N 271570a_100000694244_100000750458 [1,2,0,0,0,0|1,0,0]=4 13986 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [1,2,0,0,0,0|1,0,0]=4 13987 B11R1.166 C=C(C)c1ccc(cc1C)Br 271570a_100000694244_100000701812 [1,2,0,0,0,0|1,0,0]=4 13988 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [1,2,0,0,0,0|1,0,0]=4 13989 B11R1.166 C=C(C)c1ccc(cc1C)Cl 271570a_100000694244_100011219607 [1,2,0,0,0,0|1,0,0]=4 13990 B11R1.166 C=C(C)c1ccc(cc1C)F 271570a_100000694244_100011205405 [1,2,0,0,0,0|1,0,0]=4 13991 B11R1.166 C=C(C)c1ccc(cc1C)N 271570a_100000694244_100000210723 [1,2,0,0,0,0|1,0,0]=4 13992 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [1,2,0,0,0,0|1,0,0]=4 13993 B11R1.166 C=C(C)c1ccc(cc1Cl)Br 271570a_100000694244_100011216062 [1,2,0,0,0,0|1,0,0]=4 13994 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [1,2,0,0,0,0|1,0,0]=4 13995 B11R1.166 C=C(C)c1ccc(cc1Cl)Cl 271570a_100000694244_100000699841 [1,2,0,0,0,0|1,0,0]=4 13996 B11R1.166 C=C(C)c1ccc(cc1Cl)F 271570a_100000694244_100000733362 [1,2,0,0,0,0|1,0,0]=4 13997 B11R1.166 C=C(C)c1ccc(cc1Cl)N 271570a_100000694244_100000761885 [1,2,0,0,0,0|1,0,0]=4 13998 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [1,2,0,0,0,0|1,0,0]=4 13999 B11R1.166 C=C(C)c1ccc(cc1F)Br 271570a_100000694244_100009814013 [1,2,0,0,0,0|1,0,0]=4 14000 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [1,2,0,0,0,0|1,0,0]=4 14001 B11R1.166 C=C(C)c1ccc(cc1F)Cl 271570a_100000694244_100011216042 [1,2,0,0,0,0|1,0,0]=4 14002 B11R1.166 C=C(C)c1ccc(cc1F)F 271570a_100000694244_100000750030 [1,2,0,0,0,0|1,0,0]=4 14003 B11R1.166 C=C(C)c1ccc(cc1F)N 271570a_100000694244_100011356925 [1,2,0,0,0,0|1,0,0]=4 14004 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [1,2,0,0,0,0|1,0,0]=4 14005 B11R1.166 C=C(C)c1ccc(cc1N)Br 271570a_100000694244_100000743836 [1,2,0,0,0,0|1,0,0]=4 14006 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [1,2,0,0,0,0|1,0,0]=4 14007 B11R1.166 C=C(C)c1ccc(cc1N)Cl 271570a_100000694244_100000761886 [1,2,0,0,0,0|1,0,0]=4 14008 B11R1.166 C=C(C)c1ccc(cc1N)F 271570a_100000694244_100011218093 [1,2,0,0,0,0|1,0,0]=4 14009 B11R1.166 C=C(C)c1ccc(cc1N)N 271570a_100000694244_200012175722 [1,2,0,0,0,0|1,0,0]=4 14010 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [1,2,0,0,0,0|1,0,0]=4 14011 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [1,2,0,0,0,0|1,0,0]=4 14012 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [1,2,0,0,0,0|1,0,0]=4 14013 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [1,2,0,0,0,0|1,0,0]=4 14014 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [1,2,0,0,0,0|1,0,0]=4 14015 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [1,2,0,0,0,0|1,0,0]=4 14016 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [1,2,0,0,0,0|0,0,0]=3 14017 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [1,2,0,0,0,0|0,0,0]=3 14018 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [1,2,0,0,0,0|0,0,0]=3 14019 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [1,2,0,0,0,0|0,0,0]=3 14020 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [1,2,0,0,0,0|0,0,0]=3 14021 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [1,2,0,0,0,0|0,0,0]=3 14022 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [1,2,0,0,0,0|0,0,0]=3 14023 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [1,2,0,0,0,0|0,0,0]=3 14024 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [1,2,0,0,0,0|0,0,0]=3 14025 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [1,2,0,0,0,0|0,0,0]=3 14026 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [1,2,0,0,0,0|0,0,0]=3 14027 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [1,2,0,0,0,0|0,0,0]=3 14028 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [1,2,0,0,0,0|0,0,0]=3 14029 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [1,2,0,0,0,0|0,0,0]=3 14030 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [1,2,0,0,0,0|0,0,0]=3 14031 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [1,2,0,0,0,0|0,0,0]=3 14032 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [1,2,0,0,0,0|0,0,0]=3 14033 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [1,2,0,0,0,0|0,0,0]=3 14034 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [1,2,0,0,0,0|0,0,0]=3 14035 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [1,2,0,0,0,0|0,0,0]=3 14036 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [1,2,0,0,0,0|0,0,0]=3 14037 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [1,2,0,0,0,0|0,0,0]=3 14038 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [1,2,0,0,0,0|0,0,0]=3 14039 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [1,2,0,0,0,0|0,0,0]=3 14040 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [1,2,0,0,0,0|0,0,0]=3 14041 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [1,2,0,0,0,0|0,0,0]=3 14042 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [1,2,0,0,0,0|0,0,0]=3 14043 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [1,2,0,0,0,0|0,0,0]=3 14044 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [1,2,0,0,0,0|0,0,0]=3 14045 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [1,2,0,0,0,0|0,0,0]=3 14046 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [1,2,0,0,0,0|0,0,0]=3 14047 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [1,2,0,0,0,0|0,0,0]=3 14048 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [1,2,0,0,0,0|0,0,0]=3 14049 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [1,2,0,0,0,0|0,0,0]=3 14050 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [1,2,0,0,0,0|0,0,0]=3 14051 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [1,2,0,0,0,0|0,0,0]=3 14052 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [1,2,0,0,0,0|0,0,0]=3 14053 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [1,2,0,0,0,0|0,0,0]=3 14054 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [1,2,0,0,0,0|0,0,0]=3 14055 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [1,2,0,0,0,0|0,0,0]=3 14056 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [1,2,0,0,0,0|0,0,0]=3 14057 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [1,2,0,0,0,0|1,0,0]=4 14058 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [1,2,0,0,0,0|1,0,0]=4 14059 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [1,2,0,0,0,0|0,0,0]=3 14060 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [1,2,0,0,0,0|0,0,0]=3 14061 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [1,2,0,0,0,0|0,0,0]=3 14062 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [1,2,0,0,0,0|0,0,0]=3 14063 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [1,2,0,0,0,0|0,0,0]=3 14064 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [1,2,0,0,0,0|0,0,0]=3 14065 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [1,2,0,0,0,0|0,0,0]=3 14066 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [1,2,0,0,0,0|0,0,0]=3 14067 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [1,2,0,0,0,0|0,0,0]=3 14068 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [1,2,0,0,0,0|0,0,0]=3 14069 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [1,2,0,0,0,0|0,0,0]=3 14070 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [1,2,0,0,0,0|1,0,0]=4 14071 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [1,2,0,0,0,0|1,0,0]=4 14072 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [1,2,0,0,0,0|1,0,0]=4 14073 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [1,2,0,0,0,0|1,0,0]=4 14074 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [1,2,0,0,0,0|1,0,0]=4 14075 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [1,2,0,0,0,0|1,0,0]=4 14076 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [1,2,0,0,0,0|0,0,0]=3 14077 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [1,2,0,0,0,0|0,0,0]=3 14078 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [1,2,0,0,0,0|0,0,0]=3 14079 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [1,2,0,0,0,0|0,0,0]=3 14080 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [1,2,0,0,0,0|0,0,0]=3 14081 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [1,2,0,0,0,0|0,0,0]=3 14082 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [1,2,0,0,0,0|0,0,0]=3 14083 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [1,2,0,0,0,0|0,0,0]=3 14084 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [1,2,0,0,0,0|0,0,0]=3 14085 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [1,2,0,0,0,0|0,0,0]=3 14086 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [1,2,0,0,0,0|0,0,0]=3 14087 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [1,2,0,0,0,0|0,0,0]=3 14088 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [1,2,0,0,0,0|0,0,0]=3 14089 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [1,2,0,0,0,0|0,0,0]=3 14090 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [1,2,0,0,0,0|0,0,0]=3 14091 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [1,2,0,0,0,0|0,0,0]=3 14092 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [1,2,0,0,0,0|0,0,0]=3 14093 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [1,2,0,0,0,0|0,0,0]=3 14094 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [1,2,0,0,0,0|0,0,0]=3 14095 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [1,2,0,0,0,0|0,0,0]=3 14096 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [1,2,0,0,0,0|0,0,0]=3 14097 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [1,2,0,0,0,0|0,0,0]=3 14098 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [1,2,0,0,0,0|0,0,0]=3 14099 B11R1.7 CNS(=O)(=O)c1ccccc1 270084a_100102657272_100000210345 [1,2,0,0,0,0|1,0,0]=4 14100 B11R1.7 CNS(=O)(=O)c1ccccc1 274078a_100102657272_100000210345 [1,2,0,0,0,0|1,0,0]=4 14101 B11R1.7 CNS(=O)(=O)c1ccccc1 40a_100102657272_100000032697 [1,2,0,0,0,0|1,0,0]=4 14102 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [1,2,0,0,0,0|0,0,0]=3 14103 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [1,2,0,0,0,0|0,0,0]=3 14104 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,2,0,0,0,0|0,0,0]=3 14105 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [1,2,0,0,0,0|0,0,0]=3 14106 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [1,2,0,0,0,0|0,0,0]=3 14107 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [1,2,0,0,0,0|0,0,0]=3 14108 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [1,2,0,0,0,0|1,0,0]=4 14109 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [1,2,0,0,0,0|1,0,0]=4 14110 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [1,2,0,0,0,0|1,0,0]=4 14111 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [1,2,0,0,0,0|0,0,0]=3 14112 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [1,2,0,0,0,0|1,0,0]=4 14113 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [1,2,0,0,0,0|1,0,0]=4 14114 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [1,2,0,0,0,0|1,0,0]=4 14115 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [1,2,0,0,0,0|0,0,0]=3 14116 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [1,2,0,0,0,0|1,0,0]=4 14117 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [1,2,0,0,0,0|0,0,0]=3 14118 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [1,2,0,0,0,0|0,0,0]=3 14119 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [1,2,0,0,0,0|1,0,0]=4 14120 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [1,2,0,0,0,0|1,0,0]=4 14121 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [1,2,0,0,0,0|1,0,0]=4 14122 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [1,2,0,0,0,0|1,0,0]=4 14123 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [1,2,0,0,0,0|1,0,0]=4 14124 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [1,2,0,0,0,0|1,0,0]=4 14125 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [1,2,0,0,0,0|1,0,0]=4 14126 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [1,2,0,0,0,0|0,0,0]=3 14127 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [1,2,0,0,0,0|0,0,0]=3 14128 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [1,2,0,0,0,0|0,0,0]=3 14129 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [1,2,0,0,0,0|0,0,0]=3 14130 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [1,2,0,0,0,0|0,0,0]=3 14131 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [1,2,0,0,0,0|1,0,0]=4 14132 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [1,2,0,0,0,0|1,0,0]=4 14133 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [1,2,0,0,0,0|1,0,0]=4 14134 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [1,2,0,0,0,0|1,0,0]=4 14135 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [1,2,0,0,0,0|1,0,0]=4 14136 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [1,2,0,0,0,0|1,0,0]=4 14137 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [1,2,0,0,0,0|1,0,0]=4 14138 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [1,2,0,0,0,0|0,0,0]=3 14139 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [1,2,0,0,0,0|0,0,0]=3 14140 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [1,2,0,0,0,0|0,0,0]=3 14141 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [1,2,0,0,0,0|0,0,0]=3 14142 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [1,2,0,0,0,0|0,0,0]=3 14143 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,2,0,0,0,0|0,0,0]=3 14144 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [1,2,0,0,0,0|0,0,0]=3 14145 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [1,2,0,0,0,0|0,0,0]=3 14146 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [1,2,0,0,0,0|0,0,0]=3 14147 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [1,2,0,0,0,0|0,0,0]=3 14148 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [1,2,0,0,0,0|0,0,0]=3 14149 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [1,2,0,0,0,0|0,0,0]=3 14150 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [1,2,0,0,0,0|0,0,0]=3 14151 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [1,2,0,0,0,0|0,0,0]=3 14152 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [1,2,0,0,0,0|0,0,0]=3 14153 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [1,2,0,0,0,0|0,0,0]=3 14154 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [1,2,0,0,0,0|0,0,0]=3 14155 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [1,2,0,0,0,0|0,0,0]=3 14156 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [1,2,0,0,0,0|0,0,0]=3 14157 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [1,2,0,0,0,0|0,0,0]=3 14158 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [1,2,0,0,0,0|0,0,0]=3 14159 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [1,2,0,0,0,0|0,0,0]=3 14160 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [1,2,0,0,0,0|0,0,0]=3 14161 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [1,2,0,0,0,0|0,0,0]=3 14162 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [1,2,0,0,0,0|0,0,0]=3 14163 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [1,2,0,0,0,0|0,0,0]=3 14164 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [1,2,0,0,0,0|0,0,0]=3 14165 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [1,2,0,0,0,0|0,0,0]=3 14166 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [1,2,0,0,0,0|0,0,0]=3 14167 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [1,2,0,0,0,0|0,0,0]=3 14168 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [1,2,0,0,0,0|0,0,0]=3 14169 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [1,2,0,0,0,0|0,0,0]=3 14170 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [1,2,0,0,0,0|1,0,0]=4 14171 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [1,2,0,0,0,0|0,0,0]=3 14172 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [1,2,0,0,0,0|1,0,0]=4 14173 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [1,2,0,0,0,0|1,0,0]=4 14174 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [1,2,0,0,0,0|1,0,0]=4 14175 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [1,2,0,0,0,0|1,0,0]=4 14176 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [1,2,0,0,0,0|0,0,0]=3 14177 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [1,2,0,0,0,0|1,0,0]=4 14178 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [1,2,0,0,0,0|0,0,0]=3 14179 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [1,2,0,0,0,0|0,0,0]=3 14180 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [1,2,0,0,0,0|0,0,0]=3 14181 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [1,2,0,0,0,0|0,0,0]=3 14182 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [1,2,0,0,0,0|0,0,0]=3 14183 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [1,2,0,0,0,0|0,0,0]=3 14184 B11R1.87 CS(=O)(=O)c1ccccc1O 271570a_203496583355_100000751929 [1,2,0,0,0,0|1,0,0]=4 14185 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [1,2,0,0,0,0|0,0,0]=3 14186 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [1,2,0,0,0,0|0,0,0]=3 14187 B11R1.53 C=C(C)c1ccccc1C#N 271570a_100000694244_100000188569 [1,2,0,0,0,0|1,0,0]=4 14188 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [1,2,0,0,0,0|1,0,0]=4 14189 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [1,2,0,0,0,0|1,0,0]=4 14190 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [1,2,0,0,0,0|1,0,0]=4 14191 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [1,2,0,0,0,0|1,0,0]=4 14192 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [1,2,0,0,0,0|1,0,0]=4 14193 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [1,2,0,0,0,0|1,0,0]=4 14194 B11R1.53 C=C(C)c1ccccc1NN 271570a_100000694244_100000241748 [1,2,0,0,0,0|1,0,0]=4 14195 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [1,2,0,0,0,0|1,0,0]=4 14196 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [1,2,0,0,0,0|1,0,0]=4 14197 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [1,2,0,0,0,0|1,0,0]=4 14198 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [1,2,0,0,0,0|0,0,0]=3 14199 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [1,2,0,0,0,0|0,0,0]=3 14200 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [1,2,0,0,0,0|1,0,0]=4 14201 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [1,2,0,0,0,0|0,0,0]=3 14202 B11R1.53 C=Cc1ccccc1S(=O)C 271570a_100011290941_100000734199 [1,2,0,0,0,0|1,0,0]=4 14203 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [1,2,0,0,0,0|1,0,0]=4 14204 B11R1.53 C=Cc1ccncc1C(=O)C 271570a_100011290941_100160469449 [1,2,0,0,0,0|1,0,0]=4 14205 B11R1.53 C=Cc1cnccc1C(=O)C 271570a_100011290941_100009993184 [1,2,0,0,0,0|1,0,0]=4 14206 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [1,2,0,0,0,0|1,0,0]=4 14207 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [1,2,0,0,0,0|0,0,0]=3 14208 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [1,2,0,0,0,0|0,0,0]=3 14209 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [1,2,0,0,0,0|0,0,0]=3 14210 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [1,2,0,0,0,0|0,0,0]=3 14211 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [1,2,0,0,0,0|1,0,0]=4 14212 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [1,2,0,0,0,0|1,0,0]=4 14213 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [1,2,0,0,0,0|1,0,0]=4 14214 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_100009993184_200025704644 [1,2,0,0,0,0|1,0,0]=4 14215 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_200025704644_100009993184 [1,2,0,0,0,0|1,0,0]=4 14216 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [1,2,0,0,0,0|1,0,0]=4 14217 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [1,2,0,0,0,0|1,0,0]=4 14218 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [1,2,0,0,0,0|1,0,0]=4 14219 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [1,2,0,0,0,0|1,0,0]=4 14220 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [1,2,0,0,0,0|1,0,0]=4 14221 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [1,2,0,0,0,0|1,0,0]=4 14222 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [1,2,0,0,0,0|0,0,0]=3 14223 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [1,2,0,0,0,0|0,0,0]=3 14224 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [1,2,0,0,0,0|1,0,0]=4 14225 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [1,2,0,0,0,0|1,0,0]=4 14226 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [1,2,0,0,0,0|1,0,0]=4 14227 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [1,2,0,0,0,0|0,0,0]=3 14228 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [1,2,0,0,0,0|1,0,0]=4 14229 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [1,2,0,0,0,0|1,0,0]=4 14230 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [1,2,0,0,0,0|0,0,0]=3 14231 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [1,2,0,0,0,0|1,0,0]=4 14232 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [1,2,0,0,0,0|1,0,0]=4 14233 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [1,2,0,0,0,0|1,0,0]=4 14234 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [1,2,0,0,0,0|1,0,0]=4 14235 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [1,2,0,0,0,0|1,0,0]=4 14236 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [1,2,0,0,0,0|0,0,0]=3 14237 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [1,2,0,0,0,0|0,0,0]=3 14238 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [1,2,0,0,0,0|1,0,0]=4 14239 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [1,2,0,0,0,0|1,0,0]=4 14240 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [1,2,0,0,0,0|1,0,0]=4 14241 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [1,2,0,0,0,0|1,0,0]=4 14242 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [1,2,0,0,0,0|0,0,0]=3 14243 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [1,2,0,0,0,0|1,0,0]=4 14244 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [1,2,0,0,0,0|1,0,0]=4 14245 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [1,2,0,0,0,0|1,0,0]=4 14246 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [1,2,0,0,0,0|1,0,0]=4 14247 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [1,2,0,0,0,0|1,0,0]=4 14248 B11R1.53 CSc1cnccc1C(=O)C 62a_100009993184_200000210301 [1,2,0,0,0,0|1,0,0]=4 14249 B11R1.53 CSc1cnccc1C(=O)C 62a_200000210301_100009993184 [1,2,0,0,0,0|1,0,0]=4 14250 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [1,2,0,0,0,0|1,0,0]=4 14251 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [1,2,0,0,0,0|1,0,0]=4 14252 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [1,2,0,0,0,0|0,0,0]=3 14253 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [1,2,0,0,0,0|0,0,0]=3 14254 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [1,2,0,0,0,0|0,0,0]=3 14255 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [1,2,0,0,0,0|1,0,0]=4 14256 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [1,2,0,0,0,0|1,0,0]=4 14257 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [1,2,0,0,0,0|1,0,0]=4 14258 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [1,2,0,0,0,0|1,0,0]=4 14259 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [1,2,0,0,0,0|1,0,0]=4 14260 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [1,2,0,0,0,0|1,0,0]=4 14261 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [1,2,0,0,0,0|1,0,0]=4 14262 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [1,2,0,0,0,0|1,0,0]=4 14263 B11R1.156 C=C(C)c1c(cccc1Br)Br 271570a_100000694244_100009994525 [1,2,0,0,0,0|1,0,0]=4 14264 B11R1.156 C=C(C)c1c(cccc1Br)Cl 271570a_100000694244_100010214488 [1,2,0,0,0,0|1,0,0]=4 14265 B11R1.156 C=C(C)c1c(cccc1Br)F 271570a_100000694244_100011219512 [1,2,0,0,0,0|1,0,0]=4 14266 B11R1.156 C=C(C)c1c(cccc1Br)N 271570a_100000694244_100020590159 [1,2,0,0,0,0|1,0,0]=4 14267 B11R1.156 C=C(C)c1c(cccc1Br)O 271570a_100000694244_100010187912 [1,2,0,0,0,0|1,0,0]=4 14268 B11R1.156 C=C(C)c1c(cccc1C)C 271570a_100000694244_100000033847 [1,2,0,0,0,0|1,0,0]=4 14269 B11R1.156 C=C(C)c1c(cccc1Cl)C 271570a_100000694244_100000043165 [1,2,0,0,0,0|1,0,0]=4 14270 B11R1.156 C=C(C)c1c(cccc1Cl)Cl 271570a_100000694244_100000034237 [1,2,0,0,0,0|1,0,0]=4 14271 B11R1.156 C=C(C)c1c(cccc1Cl)F 271570a_100000694244_100000050007 [1,2,0,0,0,0|1,0,0]=4 14272 B11R1.156 C=C(C)c1c(cccc1Cl)N 271570a_100000694244_100000049713 [1,2,0,0,0,0|1,0,0]=4 14273 B11R1.156 C=C(C)c1c(cccc1Cl)O 271570a_100000694244_100000050174 [1,2,0,0,0,0|1,0,0]=4 14274 B11R1.156 C=C(C)c1c(cccc1F)C 271570a_100000694244_100012349962 [1,2,0,0,0,0|1,0,0]=4 14275 B11R1.156 C=C(C)c1c(cccc1F)F 271570a_100000694244_100000693133 [1,2,0,0,0,0|1,0,0]=4 14276 B11R1.156 C=C(C)c1c(cccc1F)N 271570a_100000694244_100011934729 [1,2,0,0,0,0|1,0,0]=4 14277 B11R1.156 C=C(C)c1c(cccc1F)O 271570a_100000694244_100009820682 [1,2,0,0,0,0|1,0,0]=4 14278 B11R1.156 C=C(C)c1c(cccc1N)C 271570a_100000694244_100000684715 [1,2,0,0,0,0|1,0,0]=4 14279 B11R1.156 C=C(C)c1c(cccc1O)C 271570a_100000694244_100000686692 [1,2,0,0,0,0|1,0,0]=4 14280 B11R1.156 C=C(C)c1c(cccc1O)N 271570a_100000694244_100012183704 [1,2,0,0,0,0|1,0,0]=4 14281 B11R1.156 C=C(C)c1c(cccc1O)O 271570a_100000694244_100010205330 [1,2,0,0,0,0|1,0,0]=4 14282 B11R1.156 CC(=O)c1c(cccc1Br)Br 1458a_100000690891_200000210301 [1,2,0,0,0,0|0,0,0]=3 14283 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [1,2,0,0,0,0|0,0,0]=3 14284 B11R1.156 CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_200000210301 [1,2,0,0,0,0|0,0,0]=3 14285 B11R1.156 CC(=O)c1c(cccc1Br)F 1458a_100000752694_200000210301 [1,2,0,0,0,0|0,0,0]=3 14286 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [1,2,0,0,0,0|0,0,0]=3 14287 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [1,2,0,0,0,0|0,0,0]=3 14288 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [1,2,0,0,0,0|0,0,0]=3 14289 B11R1.156 CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200000210301 [1,2,0,0,0,0|0,0,0]=3 14290 B11R1.156 CC(=O)c1c(cccc1Cl)F 1458a_100000210369_200000210301 [1,2,0,0,0,0|0,0,0]=3 14291 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [1,2,0,0,0,0|0,0,0]=3 14292 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [1,2,0,0,0,0|0,0,0]=3 14293 B11R1.156 CC(=O)c1c(cccc1F)F 1458a_100000210804_200000210301 [1,2,0,0,0,0|0,0,0]=3 14294 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [1,2,0,0,0,0|0,0,0]=3 14295 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [1,2,0,0,0,0|0,0,0]=3 14296 B11R1.156 CC(=O)c1c(cccc1I)Br 1458a_100010232521_200000210301 [1,2,0,0,0,0|0,0,0]=3 14297 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [1,2,0,0,0,0|0,0,0]=3 14298 B11R1.156 CC(=O)c1c(cccc1I)Cl 1458a_100000702859_200000210301 [1,2,0,0,0,0|0,0,0]=3 14299 B11R1.156 CC(=O)c1c(cccc1I)F 1458a_100000023732_200000210301 [1,2,0,0,0,0|0,0,0]=3 14300 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [1,2,0,0,0,0|0,0,0]=3 14301 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [1,2,0,0,0,0|0,0,0]=3 14302 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [1,2,0,0,0,0|0,0,0]=3 14303 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [1,2,0,0,0,0|1,0,0]=4 14304 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [1,2,0,0,0,0|0,0,0]=3 14305 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [1,2,0,0,0,0|0,0,0]=3 14306 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [1,2,0,0,0,0|0,0,0]=3 14307 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [1,2,0,0,0,0|0,0,0]=3 14308 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [1,2,0,0,0,0|0,0,0]=3 14309 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [1,2,0,0,0,0|0,0,0]=3 14310 B11R1.156 NC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010147686 [1,2,0,0,0,0|1,0,0]=4 14311 B11R1.156 NC(=O)c1c(cccc1F)O 271570a_203496583355_100011219063 [1,2,0,0,0,0|1,0,0]=4 14312 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Br 1458a_100000690891_200025704644 [1,2,0,0,0,0|0,0,0]=3 14313 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Cl 1458a_100011253703_200025704644 [1,2,0,0,0,0|0,0,0]=3 14314 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)F 1458a_100000752694_200025704644 [1,2,0,0,0,0|0,0,0]=3 14315 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [1,2,0,0,0,0|0,0,0]=3 14316 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200025704644 [1,2,0,0,0,0|0,0,0]=3 14317 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)F 1458a_100000210369_200025704644 [1,2,0,0,0,0|0,0,0]=3 14318 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [1,2,0,0,0,0|0,0,0]=3 14319 B11R1.156 [13CH3]C(=O)c1c(cccc1F)F 1458a_100000210804_200025704644 [1,2,0,0,0,0|0,0,0]=3 14320 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [1,2,0,0,0,0|0,0,0]=3 14321 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Br 1458a_100010232521_200025704644 [1,2,0,0,0,0|0,0,0]=3 14322 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Cl 1458a_100000702859_200025704644 [1,2,0,0,0,0|0,0,0]=3 14323 B11R1.156 [13CH3]C(=O)c1c(cccc1I)F 1458a_100000023732_200025704644 [1,2,0,0,0,0|0,0,0]=3 14324 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [1,2,0,0,0,0|0,0,0]=3 14325 B11R1.15 CNCC(=O)c1ccc(s1)C 2230a_106832991635_100011262362 [0,2,0,0,1,0|1,0,0]=4 14326 B11R1.15 CNCC(=O)c1ccc(s1)C 34a_100102657272_100011262362 [0,2,0,0,1,0|1,0,0]=4 14327 B11R1.15 CNCC(=O)c1ccc(s1)C 7a_106832991635_100011262362 [0,2,0,0,1,0|1,0,0]=4 14328 B11R1.15 COCC(=O)c1ccc(s1)C 34a_100138415774_100011262362 [0,2,0,0,1,0|1,0,0]=4 14329 B11R1.15 CSCC(=O)c1ccc(s1)C 62a_100011262362_200000210301 [0,2,0,0,1,0|1,0,0]=4 14330 B11R1.15 CSCC(=O)c1ccc(s1)C 62a_200000210301_100011262362 [0,2,0,0,1,0|1,0,0]=4 14331 B11R1.15 Cc1ccc(s1)C(=O)CS[13CH3] 62a_100011262362_200025704644 [0,2,0,0,1,0|1,0,0]=4 14332 B11R1.15 Cc1ccc(s1)C(=O)CS[13CH3] 62a_200025704644_100011262362 [0,2,0,0,1,0|1,0,0]=4 14333 B11R1.44 CCC(=O)c1ccc(s1)SC 62a_200000210301_200011203577 [0,2,0,0,1,0|1,0,0]=4 14334 B11R1.44 CCC(=O)c1ccc(s1)SC 62a_200011203577_200000210301 [0,2,0,0,1,0|1,0,0]=4 14335 B11R1.44 CCC(=O)c1ccc(s1)S[13CH3] 62a_200011203577_200025704644 [0,2,0,0,1,0|1,0,0]=4 14336 B11R1.44 CCC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200011203577 [0,2,0,0,1,0|1,0,0]=4 14337 B11R1.44 CNC(=O)c1ccc(o1)SC 62a_200000210301_100000159859 [0,2,0,0,1,0|1,0,0]=4 14338 B11R1.44 CNC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000159859 [0,2,0,0,1,0|1,0,0]=4 14339 B11R1.44 CNC(=O)c1ccc(s1)SC 62a_200000155069_200000210301 [0,2,0,0,1,0|1,0,0]=4 14340 B11R1.44 CNC(=O)c1ccc(s1)SC 62a_200000210301_200000155069 [0,2,0,0,1,0|1,0,0]=4 14341 B11R1.44 CNC(=O)c1ccc(s1)S[13CH3] 62a_200000155069_200025704644 [0,2,0,0,1,0|1,0,0]=4 14342 B11R1.44 CNC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000155069 [0,2,0,0,1,0|1,0,0]=4 14343 B11R1.44 COC(=O)c1c[nH]c(c1)SC 62a_100009840242_200000210301 [0,2,0,0,1,0|1,0,0]=4 14344 B11R1.44 COC(=O)c1c[nH]c(c1)SC 62a_200000210301_100009840242 [0,2,0,0,1,0|1,0,0]=4 14345 B11R1.44 COC(=O)c1c[nH]c(c1)S[13CH3] 62a_100009840242_200025704644 [0,2,0,0,1,0|1,0,0]=4 14346 B11R1.44 COC(=O)c1c[nH]c(c1)S[13CH3] 62a_200025704644_100009840242 [0,2,0,0,1,0|1,0,0]=4 14347 B11R1.44 COC(=O)c1cc(c[nH]1)SC 62a_200000210301_100000205823 [0,2,0,0,1,0|1,0,0]=4 14348 B11R1.44 COC(=O)c1cc(c[nH]1)S[13CH3] 62a_200025704644_100000205823 [0,2,0,0,1,0|1,0,0]=4 14349 B11R1.44 COC(=O)c1cc(co1)SC 62a_200000210301_100009992624 [0,2,0,0,1,0|1,0,0]=4 14350 B11R1.44 COC(=O)c1cc(co1)S[13CH3] 62a_200025704644_100009992624 [0,2,0,0,1,0|1,0,0]=4 14351 B11R1.44 COC(=O)c1cc(cs1)SC 62a_100009815473_200000210301 [0,2,0,0,1,0|1,0,0]=4 14352 B11R1.44 COC(=O)c1cc(cs1)SC 62a_200000210301_100009815473 [0,2,0,0,1,0|1,0,0]=4 14353 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_100009815473_200025704644 [0,2,0,0,1,0|1,0,0]=4 14354 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100009815473 [0,2,0,0,1,0|1,0,0]=4 14355 B11R1.44 COC(=O)c1ccc([nH]1)SC 62a_200000210301_100000687774 [0,2,0,0,1,0|1,0,0]=4 14356 B11R1.44 COC(=O)c1ccc([nH]1)S[13CH3] 62a_200025704644_100000687774 [0,2,0,0,1,0|1,0,0]=4 14357 B11R1.44 COC(=O)c1ccc(o1)SC 62a_200000210301_100000148852 [0,2,0,0,1,0|1,0,0]=4 14358 B11R1.44 COC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000148852 [0,2,0,0,1,0|1,0,0]=4 14359 B11R1.44 COC(=O)c1ccc(s1)SC 62a_100000148107_200000210301 [0,2,0,0,1,0|1,0,0]=4 14360 B11R1.44 COC(=O)c1ccc(s1)SC 62a_200000210301_100000148107 [0,2,0,0,1,0|1,0,0]=4 14361 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_100000148107_200025704644 [0,2,0,0,1,0|1,0,0]=4 14362 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_100000148107 [0,2,0,0,1,0|1,0,0]=4 14363 B11R1.44 COC(=O)c1csc(c1)SC 62a_100000692058_200000210301 [0,2,0,0,1,0|1,0,0]=4 14364 B11R1.44 COC(=O)c1csc(c1)SC 62a_200000210301_100000692058 [0,2,0,0,1,0|1,0,0]=4 14365 B11R1.44 COC(=O)c1csc(c1)S[13CH3] 62a_100000692058_200025704644 [0,2,0,0,1,0|1,0,0]=4 14366 B11R1.44 COC(=O)c1csc(c1)S[13CH3] 62a_200025704644_100000692058 [0,2,0,0,1,0|1,0,0]=4 14367 B11R1.225 COC(=O)c1cc(sc1O)C 271570a_203496583355_100009817063 [0,2,0,0,1,0|1,0,0]=4 14368 B11R1.225 COC(=O)c1sc(cc1O)C 271570a_203496583355_100009817204 [0,2,0,0,1,0|1,0,0]=4 14369 B11R1.226 COC(=O)c1cc(c(s1)O)C 271570a_203496583355_100011219469 [0,2,0,0,1,0|1,0,0]=4 14370 B11R1.865 COC(=O)c1scc(c1O)C 271570a_203496583355_100000716566 [0,2,0,0,1,0|1,0,0]=4 14371 B11R1.48 C=Cc1sc(cc1C)C(=O)C 271570a_100011290941_100000729792 [0,2,0,0,1,0|1,0,0]=4 14372 B11R1.48 CC(=O)c1cc(c(s1)S[13CH3])C 62a_100000729792_200025704644 [0,2,0,0,1,0|1,0,0]=4 14373 B11R1.48 CC(=O)c1cc(c(s1)S[13CH3])C 62a_200025704644_100000729792 [0,2,0,0,1,0|1,0,0]=4 14374 B11R1.48 CSc1sc(cc1C)C(=O)C 62a_100000729792_200000210301 [0,2,0,0,1,0|1,0,0]=4 14375 B11R1.48 CSc1sc(cc1C)C(=O)C 62a_200000210301_100000729792 [0,2,0,0,1,0|1,0,0]=4 14376 B11R1.124 CC(=O)c1cc(cs1)CS[13CH3] 62a_200000067479_200025704644 [0,2,0,0,1,0|1,0,0]=4 14377 B11R1.124 CC(=O)c1cc(cs1)CS[13CH3] 62a_200025704644_200000067479 [0,2,0,0,1,0|1,0,0]=4 14378 B11R1.124 CC(=O)c1cc(cs1)SCF 62a_100000718618_100015361967 [0,2,0,0,1,0|1,0,0]=4 14379 B11R1.124 CC(=O)c1cc(cs1)SCF 62a_100015361967_100000718618 [0,2,0,0,1,0|1,0,0]=4 14380 B11R1.124 CC(=O)c1ccc([nH]1)SCF 62a_200010494458_100015361967 [0,2,0,0,1,0|1,0,0]=4 14381 B11R1.124 CC(=O)c1ccc(o1)SCF 62a_100015361967_100000229899 [0,2,0,0,1,0|1,0,0]=4 14382 B11R1.124 CC(=O)c1ccc(s1)SCF 62a_100000183331_100015361967 [0,2,0,0,1,0|1,0,0]=4 14383 B11R1.124 CC(=O)c1ccc(s1)SCF 62a_100015361967_200000034408 [0,2,0,0,1,0|1,0,0]=4 14384 B11R1.124 CC(=O)c1csc(c1)SCF 62a_100015361967_200012344231 [0,2,0,0,1,0|1,0,0]=4 14385 B11R1.124 CC(=O)c1csc(c1)SCF 62a_200012344231_100015361967 [0,2,0,0,1,0|1,0,0]=4 14386 B11R1.124 CC=Cc1cc(cs1)C(=O)C 271570a_100016259895_200012344231 [0,2,0,0,1,0|1,0,0]=4 14387 B11R1.124 CC=Cc1ccc([nH]1)C(=O)C 271570a_100016259895_200010494458 [0,2,0,0,1,0|1,0,0]=4 14388 B11R1.124 CC=Cc1ccc(o1)C(=O)C 271570a_100016259895_100000229899 [0,2,0,0,1,0|1,0,0]=4 14389 B11R1.124 CC=Cc1ccc(s1)C(=O)C 271570a_100016259895_100000183331 [0,2,0,0,1,0|1,0,0]=4 14390 B11R1.124 CC=Cc1csc(c1)C(=O)C 271570a_100016259895_100000718618 [0,2,0,0,1,0|1,0,0]=4 14391 B11R1.124 CCSc1cc(cs1)C(=O)C 62a_100000210202_200012344231 [0,2,0,0,1,0|1,0,0]=4 14392 B11R1.124 CCSc1cc(cs1)C(=O)C 62a_200012344231_100000210202 [0,2,0,0,1,0|1,0,0]=4 14393 B11R1.124 CCSc1ccc([nH]1)C(=O)C 62a_200010494458_100000210202 [0,2,0,0,1,0|1,0,0]=4 14394 B11R1.124 CCSc1ccc(o1)C(=O)C 62a_100000210202_100000229899 [0,2,0,0,1,0|1,0,0]=4 14395 B11R1.124 CCSc1ccc(s1)C(=O)C 62a_100000183331_100000210202 [0,2,0,0,1,0|1,0,0]=4 14396 B11R1.124 CCSc1ccc(s1)C(=O)C 62a_100000210202_200000034408 [0,2,0,0,1,0|1,0,0]=4 14397 B11R1.124 CCSc1csc(c1)C(=O)C 62a_100000210202_100000718618 [0,2,0,0,1,0|1,0,0]=4 14398 B11R1.124 CCSc1csc(c1)C(=O)C 62a_100000718618_100000210202 [0,2,0,0,1,0|1,0,0]=4 14399 B11R1.124 CNCc1csc(c1)C(=O)C 2230a_106832991635_200000067479 [0,2,0,0,1,0|1,0,0]=4 14400 B11R1.124 CNCc1csc(c1)C(=O)C 34a_100102657272_200000067479 [0,2,0,0,1,0|1,0,0]=4 14401 B11R1.124 CNCc1csc(c1)C(=O)C 7a_106832991635_200000067479 [0,2,0,0,1,0|1,0,0]=4 14402 B11R1.124 COCc1csc(c1)C(=O)C 34a_100138415774_200000067479 [0,2,0,0,1,0|1,0,0]=4 14403 B11R1.124 CSCc1csc(c1)C(=O)C 62a_200000067479_200000210301 [0,2,0,0,1,0|1,0,0]=4 14404 B11R1.124 CSCc1csc(c1)C(=O)C 62a_200000210301_200000067479 [0,2,0,0,1,0|1,0,0]=4 14405 B11R1.175 C=C(C)c1cc(cs1)C(=O)C 271570a_100000694244_200012344231 [0,2,0,0,1,0|1,0,0]=4 14406 B11R1.175 C=C(C)c1ccc([nH]1)C(=O)C 271570a_100000694244_200010494458 [0,2,0,0,1,0|1,0,0]=4 14407 B11R1.175 C=C(C)c1ccc(o1)C(=O)C 271570a_100000694244_100000229899 [0,2,0,0,1,0|1,0,0]=4 14408 B11R1.175 C=C(C)c1ccc(s1)C(=O)C 271570a_100000694244_100000183331 [0,2,0,0,1,0|1,0,0]=4 14409 B11R1.175 C=C(C)c1csc(c1)C(=O)C 271570a_100000694244_100000718618 [0,2,0,0,1,0|1,0,0]=4 14410 B11R1.175 CC(=O)c1ccc(s1)C(F)F 1458a_100009925260_200000210301 [0,2,0,0,1,0|1,0,0]=4 14411 B11R1.175 [13CH3]C(=O)c1ccc(s1)C(F)F 1458a_100009925260_200025704644 [0,2,0,0,1,0|1,0,0]=4 14412 B11R1.473 CC(=O)c1c[nH]c(c1C)S[13CH3] 62a_200010235672_200025704644 [0,2,0,0,1,0|1,0,0]=4 14413 B11R1.473 CC(=O)c1c[nH]c(c1C)S[13CH3] 62a_200025704644_200010235672 [0,2,0,0,1,0|1,0,0]=4 14414 B11R1.473 CSc1[nH]cc(c1C)C(=O)C 62a_200000210301_200010235672 [0,2,0,0,1,0|1,0,0]=4 14415 B11R1.473 CSc1[nH]cc(c1C)C(=O)C 62a_200010235672_200000210301 [0,2,0,0,1,0|1,0,0]=4 14416 B11R1.59 COC(=O)c1[nH]ccc1OC 34a_100000131702_200000210301 [0,2,0,0,1,0|1,0,0]=4 14417 B11R1.59 COC(=O)c1[nH]ccc1O[13CH3] 34a_100000131702_200025704644 [0,2,0,0,1,0|1,0,0]=4 14418 B11R1.59 COC(=O)c1[nH]ccc1SC 62a_200000210301_100102525103 [0,2,0,0,1,0|1,0,0]=4 14419 B11R1.59 COC(=O)c1[nH]ccc1S[13CH3] 62a_200025704644_100102525103 [0,2,0,0,1,0|1,0,0]=4 14420 B11R1.59 COC(=O)c1ccoc1SC 62a_200000210301_100011935261 [0,2,0,0,1,0|1,0,0]=4 14421 B11R1.59 COC(=O)c1ccoc1S[13CH3] 62a_200025704644_100011935261 [0,2,0,0,1,0|1,0,0]=4 14422 B11R1.59 COC(=O)c1ccsc1SC 62a_100009822520_200000210301 [0,2,0,0,1,0|1,0,0]=4 14423 B11R1.59 COC(=O)c1ccsc1SC 62a_200000210301_100009822520 [0,2,0,0,1,0|1,0,0]=4 14424 B11R1.59 COC(=O)c1ccsc1S[13CH3] 62a_100009822520_200025704644 [0,2,0,0,1,0|1,0,0]=4 14425 B11R1.59 COC(=O)c1ccsc1S[13CH3] 62a_200025704644_100009822520 [0,2,0,0,1,0|1,0,0]=4 14426 B11R1.59 COC(=O)c1cscc1SC 62a_100012351140_200000210301 [0,2,0,0,1,0|1,0,0]=4 14427 B11R1.59 COC(=O)c1cscc1SC 62a_200000210301_100012351140 [0,2,0,0,1,0|1,0,0]=4 14428 B11R1.59 COC(=O)c1cscc1S[13CH3] 62a_100012351140_200025704644 [0,2,0,0,1,0|1,0,0]=4 14429 B11R1.59 COC(=O)c1cscc1S[13CH3] 62a_200025704644_100012351140 [0,2,0,0,1,0|1,0,0]=4 14430 B11R1.59 COC(=O)c1occc1SC 62a_200000210301_100012676306 [0,2,0,0,1,0|1,0,0]=4 14431 B11R1.59 COC(=O)c1occc1S[13CH3] 62a_200025704644_100012676306 [0,2,0,0,1,0|1,0,0]=4 14432 B11R1.59 COC(=O)c1sccc1OC 7a_100000043449_200000210301 [0,2,0,0,1,0|1,0,0]=4 14433 B11R1.59 COC(=O)c1sccc1O[13CH3] 7a_100000043449_200025704644 [0,2,0,0,1,0|1,0,0]=4 14434 B11R1.59 COC(=O)c1sccc1SC 62a_200000210301_100000730364 [0,2,0,0,1,0|1,0,0]=4 14435 B11R1.59 COC(=O)c1sccc1S[13CH3] 62a_200025704644_100000730364 [0,2,0,0,1,0|1,0,0]=4 14436 B11R1.178 C=C(C)c1ccsc1C(=O)C 271570a_100000694244_100000738688 [0,2,0,0,1,0|1,0,0]=4 14437 B11R1.178 CC(=O)c1sccc1C(F)F 1458a_100009926068_200000210301 [0,2,0,0,1,0|1,0,0]=4 14438 B11R1.178 [13CH3]C(=O)c1sccc1C(F)F 1458a_100009926068_200025704644 [0,2,0,0,1,0|1,0,0]=4 14439 B11R1.193 CC(=O)c1sccc1SCF 62a_100000738688_100015361967 [0,2,0,0,1,0|1,0,0]=4 14440 B11R1.193 CC=Cc1ccsc1C(=O)C 271570a_100016259895_100000738688 [0,2,0,0,1,0|1,0,0]=4 14441 B11R1.193 CCSc1ccsc1C(=O)C 62a_100000738688_100000210202 [0,2,0,0,1,0|1,0,0]=4 14442 B11R1.199 CNCC(=O)c1cccn1C 2230a_106832991635_200011262399 [0,2,0,0,1,0|1,0,0]=4 14443 B11R1.199 CNCC(=O)c1cccn1C 34a_100102657272_200011262399 [0,2,0,0,1,0|1,0,0]=4 14444 B11R1.199 CNCC(=O)c1cccn1C 7a_106832991635_200011262399 [0,2,0,0,1,0|1,0,0]=4 14445 B11R1.199 COCC(=O)c1cccn1C 34a_100138415774_200011262399 [0,2,0,0,1,0|1,0,0]=4 14446 B11R1.199 CSCC(=O)c1cccn1C 62a_200000210301_200011262399 [0,2,0,0,1,0|1,0,0]=4 14447 B11R1.199 CSCC(=O)c1cccn1C 62a_200011262399_200000210301 [0,2,0,0,1,0|1,0,0]=4 14448 B11R1.199 Cn1cccc1C(=O)CS[13CH3] 62a_200011262399_200025704644 [0,2,0,0,1,0|1,0,0]=4 14449 B11R1.199 Cn1cccc1C(=O)CS[13CH3] 62a_200025704644_200011262399 [0,2,0,0,1,0|1,0,0]=4 14450 B13R1.15 C#CC(=NNc1cccc(c1)C)C 4a_100000681630_100000690481 [0,1,0,0,0,2|1,0,0]=4 14451 B13R1.15 C#CC(=O)CCc1cccc(c1)C 1458a_100000211873_100011713685 [0,1,0,0,0,2|0,0,1]=4 14452 B13R1.15 C=CC(=NNc1cccc(c1)C)C 4a_100000681630_200015361842 [0,1,0,0,0,2|1,0,0]=4 14453 B13R1.15 C=CC(=O)CCc1cccc(c1)C 1458a_100000185746_100011713685 [0,1,0,0,0,2|0,0,1]=4 14454 B13R1.15 C=CC(=O)NCc1cccc(c1)C 1626a_100000185548_100000185746 [0,1,0,0,0,2|0,0,1]=4 14455 B13R1.15 C=CC(=O)NCc1cccc(c1)C 240690a_100000185548_200121576911 [0,1,0,0,0,2|0,0,1]=4 14456 B13R1.15 C=CC(=O)NNc1cccc(c1)C 22a_100000681630_100000185746 [0,1,0,0,0,2|0,0,1]=4 14457 B13R1.15 CC(=NNc1cccc(c1)C)CF 4a_100000681630_100000039719 [0,1,0,0,0,2|1,0,0]=4 14458 B13R1.15 CC(=NNc1cccc(c1)C)CO 4a_100000681630_100000211253 [0,1,0,0,0,2|0,0,1]=4 14459 B13R1.15 CCC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_100000210202 [0,1,0,0,0,2|1,0,0]=4 14460 B13R1.15 CCC(=O)C#Cc1cccc(c1)C 1458a_100011892726_100000210202 [0,1,0,0,0,2|0,0,0]=3 14461 B13R1.15 CCC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_100000210202 [0,1,0,0,0,2|1,0,0]=4 14462 B13R1.15 CCC(=O)C#Cc1cccc(c1)F 1458a_100011892744_100000210202 [0,1,0,0,0,2|1,0,0]=4 14463 B13R1.15 CCC(=O)C#Cc1cccc(c1)O 1458a_200009909484_100000210202 [0,1,0,0,0,2|1,0,0]=4 14464 B13R1.15 CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210202 [0,1,0,0,0,2|1,0,0]=4 14465 B13R1.15 CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000211110 [0,1,0,0,0,2|1,0,0]=4 14466 B13R1.15 CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210202 [0,1,0,0,0,2|0,0,0]=3 14467 B13R1.15 CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210202 [0,1,0,0,0,2|1,0,0]=4 14468 B13R1.15 CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210202 [0,1,0,0,0,2|1,0,0]=4 14469 B13R1.15 CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000211110 [0,1,0,0,0,2|1,0,0]=4 14470 B13R1.15 CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210202 [0,1,0,0,0,2|1,0,0]=4 14471 B13R1.15 CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000211110 [0,1,0,0,0,2|1,0,0]=4 14472 B13R1.15 CCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000211110 [0,1,0,0,0,2|1,0,0]=4 14473 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210202 [0,1,0,0,0,2|1,0,0]=4 14474 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000210414_100011740638 [0,1,0,0,0,2|1,0,0]=4 14475 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000210414_100011713685 [0,1,0,0,0,2|0,0,0]=3 14476 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210202 [0,1,0,0,0,2|0,0,0]=3 14477 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000210414_100011713710 [0,1,0,0,0,2|1,0,0]=4 14478 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210202 [0,1,0,0,0,2|1,0,0]=4 14479 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000210414_100011217235 [0,1,0,0,0,2|1,0,0]=4 14480 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210202 [0,1,0,0,0,2|1,0,0]=4 14481 B13R1.15 CCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210202 [0,1,0,0,0,2|1,0,0]=4 14482 B13R1.15 CCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210202 [0,1,0,0,0,2|1,0,0]=4 14483 B13R1.15 CCC(=O)COc1cccc(c1)Br 1458a_100000182359_100000210202 [0,1,0,0,0,2|1,0,0]=4 14484 B13R1.15 CCC(=O)COc1cccc(c1)Br 7a_100000210342_100000747405 [0,1,0,0,0,2|1,0,0]=4 14485 B13R1.15 CCC(=O)COc1cccc(c1)C 1458a_100000183606_100000210202 [0,1,0,0,0,2|0,0,0]=3 14486 B13R1.15 CCC(=O)COc1cccc(c1)C 7a_100000210337_100000747405 [0,1,0,0,0,2|0,0,0]=3 14487 B13R1.15 CCC(=O)COc1cccc(c1)Cl 1458a_100000184978_100000210202 [0,1,0,0,0,2|1,0,0]=4 14488 B13R1.15 CCC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747405 [0,1,0,0,0,2|1,0,0]=4 14489 B13R1.15 CCC(=O)COc1cccc(c1)F 1458a_100000182781_100000210202 [0,1,0,0,0,2|1,0,0]=4 14490 B13R1.15 CCC(=O)COc1cccc(c1)F 7a_100000210426_100000747405 [0,1,0,0,0,2|1,0,0]=4 14491 B13R1.15 CCC(=O)COc1cccc(c1)I 7a_100000211634_100000747405 [0,1,0,0,0,2|1,0,0]=4 14492 B13R1.15 CCC(=O)COc1cncc(c1)C 7a_100011830280_100000747405 [0,1,0,0,0,2|1,0,0]=4 14493 B13R1.15 CCC(=O)CSc1cc(ccn1)C 62a_100000747405_100000750283 [0,1,0,0,0,2|1,0,0]=4 14494 B13R1.15 CCC(=O)CSc1cc(ccn1)C 62a_100000750283_100000747405 [0,1,0,0,0,2|1,0,0]=4 14495 B13R1.15 CCC(=O)CSc1ccc[n+](c1)C 62a_100000747405_100009996589 [0,1,0,0,0,2|1,0,0]=4 14496 B13R1.15 CCC(=O)CSc1ccc[n+](c1)C 62a_100009996589_100000747405 [0,1,0,0,0,2|1,0,0]=4 14497 B13R1.15 CCC(=O)CSc1cccc(c1)Br 1458a_100000760868_100000210202 [0,1,0,0,0,2|1,0,0]=4 14498 B13R1.15 CCC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747405 [0,1,0,0,0,2|1,0,0]=4 14499 B13R1.15 CCC(=O)CSc1cccc(c1)Br 62a_100000747405_100000691529 [0,1,0,0,0,2|1,0,0]=4 14500 B13R1.15 CCC(=O)CSc1cccc(c1)C 62a_100000747405_100011215228 [0,1,0,0,0,2|0,0,0]=3 14501 B13R1.15 CCC(=O)CSc1cccc(c1)C 62a_100011215228_100000747405 [0,1,0,0,0,2|0,0,0]=3 14502 B13R1.15 CCC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747405 [0,1,0,0,0,2|1,0,0]=4 14503 B13R1.15 CCC(=O)CSc1cccc(c1)Cl 62a_100000747405_100000699651 [0,1,0,0,0,2|1,0,0]=4 14504 B13R1.15 CCC(=O)CSc1cccc(c1)F 62a_100000685547_100000747405 [0,1,0,0,0,2|1,0,0]=4 14505 B13R1.15 CCC(=O)CSc1cccc(c1)F 62a_100000747405_100000685547 [0,1,0,0,0,2|1,0,0]=4 14506 B13R1.15 CCC(=O)CSc1cccc(c1)N 62a_100000210019_100000747405 [0,1,0,0,0,2|1,0,0]=4 14507 B13R1.15 CCC(=O)CSc1cccc(c1)N 62a_100000747405_100000210019 [0,1,0,0,0,2|1,0,0]=4 14508 B13R1.15 CCC(=O)CSc1cccc(c1)O 62a_100000747405_100000211634 [0,1,0,0,0,2|1,0,0]=4 14509 B13R1.15 CCC(=O)CSc1cccc(c1)[S] 62a_100000747405_114929384022 [0,1,0,0,0,2|1,0,0]=4 14510 B13R1.15 CCC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747405 [0,1,0,0,0,2|1,0,0]=4 14511 B13R1.15 CCC(=O)CSc1cccc(n1)C 62a_100000742759_100000747405 [0,1,0,0,0,2|1,0,0]=4 14512 B13R1.15 CCC(=O)CSc1cccc(n1)C 62a_100000747405_100000742759 [0,1,0,0,0,2|1,0,0]=4 14513 B13R1.15 CCC(=O)CSc1ccnc(c1)C 62a_100000747405_100000758586 [0,1,0,0,0,2|1,0,0]=4 14514 B13R1.15 CCC(=O)CSc1ccnc(c1)C 62a_100000758586_100000747405 [0,1,0,0,0,2|1,0,0]=4 14515 B13R1.15 CCC(=O)CSc1cncc(c1)C 62a_100000747405_100000760492 [0,1,0,0,0,2|1,0,0]=4 14516 B13R1.15 CCC(=O)CSc1cncc(c1)C 62a_100000760492_100000747405 [0,1,0,0,0,2|1,0,0]=4 14517 B13R1.15 CCC(=O)NCc1cc(ccn1)C 11a_100011934573_100000210414 [0,1,0,0,0,2|1,0,0]=4 14518 B13R1.15 CCC(=O)NCc1cc(ccn1)C 1626a_100011934573_100000210414 [0,1,0,0,0,2|1,0,0]=4 14519 B13R1.15 CCC(=O)NCc1cc(ccn1)C 240690a_100011934573_100000210414 [0,1,0,0,0,2|1,0,0]=4 14520 B13R1.15 CCC(=O)NCc1cc(ccn1)C 527a_100011934573_100000210414 [0,1,0,0,0,2|1,0,0]=4 14521 B13R1.15 CCC(=O)NCc1cccc(c1)Br 11a_100000174977_100000210414 [0,1,0,0,0,2|1,0,0]=4 14522 B13R1.15 CCC(=O)NCc1cccc(c1)Br 1626a_100000174977_100000210414 [0,1,0,0,0,2|1,0,0]=4 14523 B13R1.15 CCC(=O)NCc1cccc(c1)Br 240690a_100000174977_100000210414 [0,1,0,0,0,2|1,0,0]=4 14524 B13R1.15 CCC(=O)NCc1cccc(c1)Br 527a_100000174977_100000210414 [0,1,0,0,0,2|1,0,0]=4 14525 B13R1.15 CCC(=O)NCc1cccc(c1)C 11a_100000185548_100000210414 [0,1,0,0,0,2|0,0,0]=3 14526 B13R1.15 CCC(=O)NCc1cccc(c1)C 1626a_100000185548_100000210414 [0,1,0,0,0,2|0,0,0]=3 14527 B13R1.15 CCC(=O)NCc1cccc(c1)C 240690a_100000185548_100000210414 [0,1,0,0,0,2|0,0,0]=3 14528 B13R1.15 CCC(=O)NCc1cccc(c1)C 527a_100000185548_100000210414 [0,1,0,0,0,2|0,0,0]=3 14529 B13R1.15 CCC(=O)NCc1cccc(c1)Cl 11a_100000174878_100000210414 [0,1,0,0,0,2|1,0,0]=4 14530 B13R1.15 CCC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000210414 [0,1,0,0,0,2|1,0,0]=4 14531 B13R1.15 CCC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100000210414 [0,1,0,0,0,2|1,0,0]=4 14532 B13R1.15 CCC(=O)NCc1cccc(c1)Cl 527a_100000174878_100000210414 [0,1,0,0,0,2|1,0,0]=4 14533 B13R1.15 CCC(=O)NCc1cccc(c1)F 11a_100000174948_100000210414 [0,1,0,0,0,2|1,0,0]=4 14534 B13R1.15 CCC(=O)NCc1cccc(c1)F 1626a_100000174948_100000210414 [0,1,0,0,0,2|1,0,0]=4 14535 B13R1.15 CCC(=O)NCc1cccc(c1)F 240690a_100000174948_100000210414 [0,1,0,0,0,2|1,0,0]=4 14536 B13R1.15 CCC(=O)NCc1cccc(c1)F 527a_100000174948_100000210414 [0,1,0,0,0,2|1,0,0]=4 14537 B13R1.15 CCC(=O)NCc1cccc(c1)I 11a_100000106179_100000210414 [0,1,0,0,0,2|1,0,0]=4 14538 B13R1.15 CCC(=O)NCc1cccc(c1)I 1626a_100000106179_100000210414 [0,1,0,0,0,2|1,0,0]=4 14539 B13R1.15 CCC(=O)NCc1cccc(c1)I 240690a_100000106179_100000210414 [0,1,0,0,0,2|1,0,0]=4 14540 B13R1.15 CCC(=O)NCc1cccc(c1)I 527a_100000106179_100000210414 [0,1,0,0,0,2|1,0,0]=4 14541 B13R1.15 CCC(=O)NCc1cccc(c1)O 240690a_100000743036_100000210414 [0,1,0,0,0,2|1,0,0]=4 14542 B13R1.15 CCC(=O)NCc1cccc(c1)O 271570a_203496583355_200011236840 [0,1,0,0,0,2|1,0,0]=4 14543 B13R1.15 CCC(=O)NCc1cccc(c1)O 527a_100000743036_100000210414 [0,1,0,0,0,2|1,0,0]=4 14544 B13R1.15 CCC(=O)NCc1cccc(n1)C 11a_100000701342_100000210414 [0,1,0,0,0,2|1,0,0]=4 14545 B13R1.15 CCC(=O)NCc1cccc(n1)C 1626a_100000701342_100000210414 [0,1,0,0,0,2|1,0,0]=4 14546 B13R1.15 CCC(=O)NCc1cccc(n1)C 240690a_100000701342_100000210414 [0,1,0,0,0,2|1,0,0]=4 14547 B13R1.15 CCC(=O)NCc1cccc(n1)C 527a_100000701342_100000210414 [0,1,0,0,0,2|1,0,0]=4 14548 B13R1.15 CCC(=O)NCc1ccnc(c1)C 11a_100011934566_100000210414 [0,1,0,0,0,2|1,0,0]=4 14549 B13R1.15 CCC(=O)NCc1ccnc(c1)C 1626a_100011934566_100000210414 [0,1,0,0,0,2|1,0,0]=4 14550 B13R1.15 CCC(=O)NCc1ccnc(c1)C 240690a_100011934566_100000210414 [0,1,0,0,0,2|1,0,0]=4 14551 B13R1.15 CCC(=O)NCc1ccnc(c1)C 527a_100011934566_100000210414 [0,1,0,0,0,2|1,0,0]=4 14552 B13R1.15 CCC(=O)NCc1cncc(c1)C 11a_100000692839_100000210414 [0,1,0,0,0,2|1,0,0]=4 14553 B13R1.15 CCC(=O)NCc1cncc(c1)C 1626a_100000692839_100000210414 [0,1,0,0,0,2|1,0,0]=4 14554 B13R1.15 CCC(=O)NCc1cncc(c1)C 240690a_100000692839_100000210414 [0,1,0,0,0,2|1,0,0]=4 14555 B13R1.15 CCC(=O)NCc1cncc(c1)C 527a_100000692839_100000210414 [0,1,0,0,0,2|1,0,0]=4 14556 B13R1.15 CCC(=O)NNc1cc(ccn1)C 22a_100000746014_100000210414 [0,1,0,0,0,2|1,0,0]=4 14557 B13R1.15 CCC(=O)NNc1cccc(c1)Br 22a_100000217339_100000210414 [0,1,0,0,0,2|1,0,0]=4 14558 B13R1.15 CCC(=O)NNc1cccc(c1)C 22a_100000681630_100000210414 [0,1,0,0,0,2|0,0,0]=3 14559 B13R1.15 CCC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000210414 [0,1,0,0,0,2|1,0,0]=4 14560 B13R1.15 CCC(=O)NNc1cccc(c1)F 22a_100000745080_100000210414 [0,1,0,0,0,2|1,0,0]=4 14561 B13R1.15 CCC(=O)NNc1cccc(c1)I 22a_100020605690_100000210414 [0,1,0,0,0,2|1,0,0]=4 14562 B13R1.15 CCC(=O)NNc1cccc(n1)C 22a_100011363444_100000210414 [0,1,0,0,0,2|1,0,0]=4 14563 B13R1.15 CNC(=O)C#Cc1cccc(c1)C 240690a_100102657272_100011892726 [0,1,0,0,0,2|0,0,0]=3 14564 B13R1.15 CNC(=O)C#Cc1cccc(c1)Cl 240690a_100102657272_100011892777 [0,1,0,0,0,2|1,0,0]=4 14565 B13R1.15 CNC(=O)C#Cc1cccc(c1)F 240690a_100102657272_100011892744 [0,1,0,0,0,2|1,0,0]=4 14566 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 11a_106832991635_100016258244 [0,1,0,0,0,2|1,0,0]=4 14567 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 1626a_100102657272_100016258244 [0,1,0,0,0,2|1,0,0]=4 14568 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 240690a_100102657272_100016258244 [0,1,0,0,0,2|1,0,0]=4 14569 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 11a_106832991635_100000690095 [0,1,0,0,0,2|0,0,0]=3 14570 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 1626a_100102657272_100000690095 [0,1,0,0,0,2|0,0,0]=3 14571 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 240690a_100102657272_100000690095 [0,1,0,0,0,2|0,0,0]=3 14572 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 11a_106832991635_100000184502 [0,1,0,0,0,2|1,0,0]=4 14573 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 1626a_100102657272_100000184502 [0,1,0,0,0,2|1,0,0]=4 14574 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 240690a_100102657272_100000184502 [0,1,0,0,0,2|1,0,0]=4 14575 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 11a_106832991635_100000718793 [0,1,0,0,0,2|1,0,0]=4 14576 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 1626a_100102657272_100000718793 [0,1,0,0,0,2|1,0,0]=4 14577 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 240690a_100102657272_100000718793 [0,1,0,0,0,2|1,0,0]=4 14578 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 11a_106832991635_100020647043 [0,1,0,0,0,2|1,0,0]=4 14579 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 1626a_100102657272_100020647043 [0,1,0,0,0,2|1,0,0]=4 14580 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 240690a_100102657272_100020647043 [0,1,0,0,0,2|1,0,0]=4 14581 B13R1.15 CNC(=O)CCc1cccc(c1)Br 11a_106832991635_100000184314 [0,1,0,0,0,2|1,0,0]=4 14582 B13R1.15 CNC(=O)CCc1cccc(c1)Br 1626a_100102657272_100000184314 [0,1,0,0,0,2|1,0,0]=4 14583 B13R1.15 CNC(=O)CCc1cccc(c1)Br 240690a_100102657272_100000184314 [0,1,0,0,0,2|1,0,0]=4 14584 B13R1.15 CNC(=O)CCc1cccc(c1)Br 527a_100102657272_100000184314 [0,1,0,0,0,2|1,0,0]=4 14585 B13R1.15 CNC(=O)CCc1cccc(c1)C 11a_106832991635_100000234952 [0,1,0,0,0,2|0,0,0]=3 14586 B13R1.15 CNC(=O)CCc1cccc(c1)C 1626a_100102657272_100000234952 [0,1,0,0,0,2|0,0,0]=3 14587 B13R1.15 CNC(=O)CCc1cccc(c1)C 240690a_100102657272_100000234952 [0,1,0,0,0,2|0,0,0]=3 14588 B13R1.15 CNC(=O)CCc1cccc(c1)C 527a_100102657272_100000234952 [0,1,0,0,0,2|0,0,0]=3 14589 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 11a_106832991635_100000235675 [0,1,0,0,0,2|1,0,0]=4 14590 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 1626a_100102657272_100000235675 [0,1,0,0,0,2|1,0,0]=4 14591 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 240690a_100102657272_100000235675 [0,1,0,0,0,2|1,0,0]=4 14592 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 527a_100102657272_100000235675 [0,1,0,0,0,2|1,0,0]=4 14593 B13R1.15 CNC(=O)CCc1cccc(c1)F 11a_106832991635_100000235673 [0,1,0,0,0,2|1,0,0]=4 14594 B13R1.15 CNC(=O)CCc1cccc(c1)F 1626a_100102657272_100000235673 [0,1,0,0,0,2|1,0,0]=4 14595 B13R1.15 CNC(=O)CCc1cccc(c1)F 240690a_100102657272_100000235673 [0,1,0,0,0,2|1,0,0]=4 14596 B13R1.15 CNC(=O)CCc1cccc(c1)F 527a_100102657272_100000235673 [0,1,0,0,0,2|1,0,0]=4 14597 B13R1.15 CNC(=O)CCc1cccc(c1)I 11a_106832991635_100010007846 [0,1,0,0,0,2|1,0,0]=4 14598 B13R1.15 CNC(=O)CCc1cccc(c1)I 1626a_100102657272_100010007846 [0,1,0,0,0,2|1,0,0]=4 14599 B13R1.15 CNC(=O)CCc1cccc(c1)I 240690a_100102657272_100010007846 [0,1,0,0,0,2|1,0,0]=4 14600 B13R1.15 CNC(=O)CCc1cccc(c1)I 527a_100102657272_100010007846 [0,1,0,0,0,2|1,0,0]=4 14601 B13R1.15 CNC(=O)CCc1cccc(c1)O 240690a_100102657272_100011216126 [0,1,0,0,0,2|1,0,0]=4 14602 B13R1.15 CNC(=O)CCc1cccc(c1)O 527a_100102657272_100011216126 [0,1,0,0,0,2|1,0,0]=4 14603 B13R1.15 CNC(=O)CNc1cccc(c1)Br 34a_100000210019_100000183359 [0,1,0,0,0,2|1,0,0]=4 14604 B13R1.15 CNC(=O)CNc1cccc(c1)C 2230a_100000188690_100000183359 [0,1,0,0,0,2|0,0,0]=3 14605 B13R1.15 CNC(=O)CNc1cccc(c1)C 34a_100000188690_100000183359 [0,1,0,0,0,2|0,0,0]=3 14606 B13R1.15 CNC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000183359 [0,1,0,0,0,2|1,0,0]=4 14607 B13R1.15 CNC(=O)CNc1cccc(c1)F 34a_100000210047_100000183359 [0,1,0,0,0,2|1,0,0]=4 14608 B13R1.15 CNC(=O)CNc1cccc(c1)I 34a_100000211102_100000183359 [0,1,0,0,0,2|1,0,0]=4 14609 B13R1.15 CNC(=O)CNc1cccc(c1)O 34a_100000210217_100000183359 [0,1,0,0,0,2|1,0,0]=4 14610 B13R1.15 CNC(=O)CNc1ccnc(c1)C 27a_100000693194_100000758586 [0,1,0,0,0,2|1,0,0]=4 14611 B13R1.15 CNC(=O)COc1cccc(c1)Br 11a_106832991635_100000182359 [0,1,0,0,0,2|1,0,0]=4 14612 B13R1.15 CNC(=O)COc1cccc(c1)Br 1626a_100102657272_100000182359 [0,1,0,0,0,2|1,0,0]=4 14613 B13R1.15 CNC(=O)COc1cccc(c1)Br 240690a_100102657272_100000182359 [0,1,0,0,0,2|1,0,0]=4 14614 B13R1.15 CNC(=O)COc1cccc(c1)Br 34a_100000210342_100000183359 [0,1,0,0,0,2|1,0,0]=4 14615 B13R1.15 CNC(=O)COc1cccc(c1)Br 527a_100102657272_100000182359 [0,1,0,0,0,2|1,0,0]=4 14616 B13R1.15 CNC(=O)COc1cccc(c1)Br 7a_100000210342_100000183359 [0,1,0,0,0,2|1,0,0]=4 14617 B13R1.15 CNC(=O)COc1cccc(c1)C 11a_106832991635_100000183606 [0,1,0,0,0,2|0,0,0]=3 14618 B13R1.15 CNC(=O)COc1cccc(c1)C 1626a_100102657272_100000183606 [0,1,0,0,0,2|0,0,0]=3 14619 B13R1.15 CNC(=O)COc1cccc(c1)C 240690a_100102657272_100000183606 [0,1,0,0,0,2|0,0,0]=3 14620 B13R1.15 CNC(=O)COc1cccc(c1)C 34a_100000210337_100000183359 [0,1,0,0,0,2|0,0,0]=3 14621 B13R1.15 CNC(=O)COc1cccc(c1)C 527a_100102657272_100000183606 [0,1,0,0,0,2|0,0,0]=3 14622 B13R1.15 CNC(=O)COc1cccc(c1)C 7a_100000210337_100000183359 [0,1,0,0,0,2|0,0,0]=3 14623 B13R1.15 CNC(=O)COc1cccc(c1)Cl 11a_106832991635_100000184978 [0,1,0,0,0,2|1,0,0]=4 14624 B13R1.15 CNC(=O)COc1cccc(c1)Cl 1626a_100102657272_100000184978 [0,1,0,0,0,2|1,0,0]=4 14625 B13R1.15 CNC(=O)COc1cccc(c1)Cl 240690a_100102657272_100000184978 [0,1,0,0,0,2|1,0,0]=4 14626 B13R1.15 CNC(=O)COc1cccc(c1)Cl 34a_100000210295_100000183359 [0,1,0,0,0,2|1,0,0]=4 14627 B13R1.15 CNC(=O)COc1cccc(c1)Cl 527a_100102657272_100000184978 [0,1,0,0,0,2|1,0,0]=4 14628 B13R1.15 CNC(=O)COc1cccc(c1)Cl 7a_100000210295_100000183359 [0,1,0,0,0,2|1,0,0]=4 14629 B13R1.15 CNC(=O)COc1cccc(c1)F 11a_106832991635_100000182781 [0,1,0,0,0,2|1,0,0]=4 14630 B13R1.15 CNC(=O)COc1cccc(c1)F 1626a_100102657272_100000182781 [0,1,0,0,0,2|1,0,0]=4 14631 B13R1.15 CNC(=O)COc1cccc(c1)F 240690a_100102657272_100000182781 [0,1,0,0,0,2|1,0,0]=4 14632 B13R1.15 CNC(=O)COc1cccc(c1)F 34a_100000210426_100000183359 [0,1,0,0,0,2|1,0,0]=4 14633 B13R1.15 CNC(=O)COc1cccc(c1)F 527a_100102657272_100000182781 [0,1,0,0,0,2|1,0,0]=4 14634 B13R1.15 CNC(=O)COc1cccc(c1)F 7a_100000210426_100000183359 [0,1,0,0,0,2|1,0,0]=4 14635 B13R1.15 CNC(=O)COc1cccc(c1)I 34a_100000211634_100000183359 [0,1,0,0,0,2|1,0,0]=4 14636 B13R1.15 CNC(=O)COc1cccc(c1)I 7a_100000211634_100000183359 [0,1,0,0,0,2|1,0,0]=4 14637 B13R1.15 CNC(=O)COc1cccc(c1)N 34a_100000210217_100000183359 [0,1,0,0,0,2|1,0,0]=4 14638 B13R1.15 CNC(=O)COc1cccc(c1)O 271570a_203496583355_200000150594 [0,1,0,0,0,2|1,0,0]=4 14639 B13R1.15 CNC(=O)COc1ccnc(c1)C 34a_100000688365_100000183359 [0,1,0,0,0,2|1,0,0]=4 14640 B13R1.15 CNC(=O)COc1cncc(c1)C 34a_100011830280_100000183359 [0,1,0,0,0,2|1,0,0]=4 14641 B13R1.15 CNC(=O)COc1cncc(c1)C 7a_100011830280_100000183359 [0,1,0,0,0,2|1,0,0]=4 14642 B13R1.15 CNC(=O)CSc1cc(ccn1)C 62a_100000183359_100000750283 [0,1,0,0,0,2|1,0,0]=4 14643 B13R1.15 CNC(=O)CSc1cc(ccn1)C 62a_100000750283_100000183359 [0,1,0,0,0,2|1,0,0]=4 14644 B13R1.15 CNC(=O)CSc1ccc[n+](c1)C 62a_100000183359_100009996589 [0,1,0,0,0,2|1,0,0]=4 14645 B13R1.15 CNC(=O)CSc1ccc[n+](c1)C 62a_100009996589_100000183359 [0,1,0,0,0,2|1,0,0]=4 14646 B13R1.15 CNC(=O)CSc1cccc(c1)Br 11a_106832991635_100000760868 [0,1,0,0,0,2|1,0,0]=4 14647 B13R1.15 CNC(=O)CSc1cccc(c1)Br 1626a_100102657272_100000760868 [0,1,0,0,0,2|1,0,0]=4 14648 B13R1.15 CNC(=O)CSc1cccc(c1)Br 240690a_100102657272_100000760868 [0,1,0,0,0,2|1,0,0]=4 14649 B13R1.15 CNC(=O)CSc1cccc(c1)Br 527a_100102657272_100000760868 [0,1,0,0,0,2|1,0,0]=4 14650 B13R1.15 CNC(=O)CSc1cccc(c1)Br 62a_100000183359_100000691529 [0,1,0,0,0,2|1,0,0]=4 14651 B13R1.15 CNC(=O)CSc1cccc(c1)Br 62a_100000691529_100000183359 [0,1,0,0,0,2|1,0,0]=4 14652 B13R1.15 CNC(=O)CSc1cccc(c1)C 62a_100000183359_100011215228 [0,1,0,0,0,2|0,0,0]=3 14653 B13R1.15 CNC(=O)CSc1cccc(c1)C 62a_100011215228_100000183359 [0,1,0,0,0,2|0,0,0]=3 14654 B13R1.15 CNC(=O)CSc1cccc(c1)Cl 62a_100000183359_100000699651 [0,1,0,0,0,2|1,0,0]=4 14655 B13R1.15 CNC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000183359 [0,1,0,0,0,2|1,0,0]=4 14656 B13R1.15 CNC(=O)CSc1cccc(c1)F 62a_100000183359_100000685547 [0,1,0,0,0,2|1,0,0]=4 14657 B13R1.15 CNC(=O)CSc1cccc(c1)F 62a_100000685547_100000183359 [0,1,0,0,0,2|1,0,0]=4 14658 B13R1.15 CNC(=O)CSc1cccc(c1)N 62a_100000183359_100000210019 [0,1,0,0,0,2|1,0,0]=4 14659 B13R1.15 CNC(=O)CSc1cccc(c1)N 62a_100000210019_100000183359 [0,1,0,0,0,2|1,0,0]=4 14660 B13R1.15 CNC(=O)CSc1cccc(c1)O 62a_100000183359_100000211634 [0,1,0,0,0,2|1,0,0]=4 14661 B13R1.15 CNC(=O)CSc1cccc(c1)[S] 62a_100000183359_114929384022 [0,1,0,0,0,2|1,0,0]=4 14662 B13R1.15 CNC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000183359 [0,1,0,0,0,2|1,0,0]=4 14663 B13R1.15 CNC(=O)CSc1cccc(n1)C 62a_100000183359_100000742759 [0,1,0,0,0,2|1,0,0]=4 14664 B13R1.15 CNC(=O)CSc1cccc(n1)C 62a_100000742759_100000183359 [0,1,0,0,0,2|1,0,0]=4 14665 B13R1.15 CNC(=O)CSc1ccnc(c1)C 62a_100000183359_100000758586 [0,1,0,0,0,2|1,0,0]=4 14666 B13R1.15 CNC(=O)CSc1ccnc(c1)C 62a_100000758586_100000183359 [0,1,0,0,0,2|1,0,0]=4 14667 B13R1.15 CNC(=O)CSc1cncc(c1)C 62a_100000183359_100000760492 [0,1,0,0,0,2|1,0,0]=4 14668 B13R1.15 CNC(=O)CSc1cncc(c1)C 62a_100000760492_100000183359 [0,1,0,0,0,2|1,0,0]=4 14669 B13R1.15 CNC(=O)NCc1cc(ccn1)C 2708a_100011934573_106832991635 [0,1,0,0,0,2|1,0,0]=4 14670 B13R1.15 CNC(=O)NCc1cc(ccn1)C 2708a_100102657272_100011934573 [0,1,0,0,0,2|1,0,0]=4 14671 B13R1.15 CNC(=O)NCc1cc(ccn1)C 273464a_100011934573_100102657272 [0,1,0,0,0,2|1,0,0]=4 14672 B13R1.15 CNC(=O)NCc1cc(ccn1)C 273464a_100102657272_100011934573 [0,1,0,0,0,2|1,0,0]=4 14673 B13R1.15 CNC(=O)NCc1cc(ccn1)C 512a_100011934573_100102657272 [0,1,0,0,0,2|1,0,0]=4 14674 B13R1.15 CNC(=O)NCc1cc(ccn1)C 512a_106832991638_100011934573 [0,1,0,0,0,2|1,0,0]=4 14675 B13R1.15 CNC(=O)NCc1cccc(c1)Br 2708a_100000174977_106832991635 [0,1,0,0,0,2|1,0,0]=4 14676 B13R1.15 CNC(=O)NCc1cccc(c1)Br 2708a_100102657272_100000174977 [0,1,0,0,0,2|1,0,0]=4 14677 B13R1.15 CNC(=O)NCc1cccc(c1)Br 273464a_100000174977_100102657272 [0,1,0,0,0,2|1,0,0]=4 14678 B13R1.15 CNC(=O)NCc1cccc(c1)Br 273464a_100102657272_100000174977 [0,1,0,0,0,2|1,0,0]=4 14679 B13R1.15 CNC(=O)NCc1cccc(c1)Br 512a_100000174977_100102657272 [0,1,0,0,0,2|1,0,0]=4 14680 B13R1.15 CNC(=O)NCc1cccc(c1)Br 512a_106832991638_100000174977 [0,1,0,0,0,2|1,0,0]=4 14681 B13R1.15 CNC(=O)NCc1cccc(c1)C 2708a_100000185548_106832991635 [0,1,0,0,0,2|0,0,0]=3 14682 B13R1.15 CNC(=O)NCc1cccc(c1)C 2708a_100102657272_100000185548 [0,1,0,0,0,2|0,0,0]=3 14683 B13R1.15 CNC(=O)NCc1cccc(c1)C 273464a_100000185548_100102657272 [0,1,0,0,0,2|0,0,0]=3 14684 B13R1.15 CNC(=O)NCc1cccc(c1)C 273464a_100102657272_100000185548 [0,1,0,0,0,2|0,0,0]=3 14685 B13R1.15 CNC(=O)NCc1cccc(c1)C 512a_100000185548_100102657272 [0,1,0,0,0,2|0,0,0]=3 14686 B13R1.15 CNC(=O)NCc1cccc(c1)C 512a_106832991638_100000185548 [0,1,0,0,0,2|0,0,0]=3 14687 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 2708a_100000174878_106832991635 [0,1,0,0,0,2|1,0,0]=4 14688 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 2708a_100102657272_100000174878 [0,1,0,0,0,2|1,0,0]=4 14689 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 273464a_100000174878_100102657272 [0,1,0,0,0,2|1,0,0]=4 14690 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 273464a_100102657272_100000174878 [0,1,0,0,0,2|1,0,0]=4 14691 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 512a_100000174878_100102657272 [0,1,0,0,0,2|1,0,0]=4 14692 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 512a_106832991638_100000174878 [0,1,0,0,0,2|1,0,0]=4 14693 B13R1.15 CNC(=O)NCc1cccc(c1)F 2708a_100000174948_106832991635 [0,1,0,0,0,2|1,0,0]=4 14694 B13R1.15 CNC(=O)NCc1cccc(c1)F 2708a_100102657272_100000174948 [0,1,0,0,0,2|1,0,0]=4 14695 B13R1.15 CNC(=O)NCc1cccc(c1)F 273464a_100000174948_100102657272 [0,1,0,0,0,2|1,0,0]=4 14696 B13R1.15 CNC(=O)NCc1cccc(c1)F 273464a_100102657272_100000174948 [0,1,0,0,0,2|1,0,0]=4 14697 B13R1.15 CNC(=O)NCc1cccc(c1)F 512a_100000174948_100102657272 [0,1,0,0,0,2|1,0,0]=4 14698 B13R1.15 CNC(=O)NCc1cccc(c1)F 512a_106832991638_100000174948 [0,1,0,0,0,2|1,0,0]=4 14699 B13R1.15 CNC(=O)NCc1cccc(c1)I 2708a_100000106179_106832991635 [0,1,0,0,0,2|1,0,0]=4 14700 B13R1.15 CNC(=O)NCc1cccc(c1)I 2708a_100102657272_100000106179 [0,1,0,0,0,2|1,0,0]=4 14701 B13R1.15 CNC(=O)NCc1cccc(c1)I 273464a_100000106179_100102657272 [0,1,0,0,0,2|1,0,0]=4 14702 B13R1.15 CNC(=O)NCc1cccc(c1)I 273464a_100102657272_100000106179 [0,1,0,0,0,2|1,0,0]=4 14703 B13R1.15 CNC(=O)NCc1cccc(c1)I 512a_100000106179_100102657272 [0,1,0,0,0,2|1,0,0]=4 14704 B13R1.15 CNC(=O)NCc1cccc(c1)I 512a_106832991638_100000106179 [0,1,0,0,0,2|1,0,0]=4 14705 B13R1.15 CNC(=O)NCc1cccc(c1)O 2708a_100000743036_106832991635 [0,1,0,0,0,2|1,0,0]=4 14706 B13R1.15 CNC(=O)NCc1cccc(c1)O 2708a_100102657272_100000743036 [0,1,0,0,0,2|1,0,0]=4 14707 B13R1.15 CNC(=O)NCc1cccc(c1)O 273464a_100000743036_100102657272 [0,1,0,0,0,2|1,0,0]=4 14708 B13R1.15 CNC(=O)NCc1cccc(c1)O 273464a_100102657272_100000743036 [0,1,0,0,0,2|1,0,0]=4 14709 B13R1.15 CNC(=O)NCc1cccc(c1)O 512a_100000743036_100102657272 [0,1,0,0,0,2|1,0,0]=4 14710 B13R1.15 CNC(=O)NCc1cccc(c1)O 512a_106832991638_100000743036 [0,1,0,0,0,2|1,0,0]=4 14711 B13R1.15 CNC(=O)NCc1cccc(n1)C 2708a_100000701342_106832991635 [0,1,0,0,0,2|1,0,0]=4 14712 B13R1.15 CNC(=O)NCc1cccc(n1)C 2708a_100102657272_100000701342 [0,1,0,0,0,2|1,0,0]=4 14713 B13R1.15 CNC(=O)NCc1cccc(n1)C 273464a_100000701342_100102657272 [0,1,0,0,0,2|1,0,0]=4 14714 B13R1.15 CNC(=O)NCc1cccc(n1)C 273464a_100102657272_100000701342 [0,1,0,0,0,2|1,0,0]=4 14715 B13R1.15 CNC(=O)NCc1cccc(n1)C 512a_100000701342_100102657272 [0,1,0,0,0,2|1,0,0]=4 14716 B13R1.15 CNC(=O)NCc1cccc(n1)C 512a_106832991638_100000701342 [0,1,0,0,0,2|1,0,0]=4 14717 B13R1.15 CNC(=O)NCc1ccnc(c1)C 2708a_100011934566_106832991635 [0,1,0,0,0,2|1,0,0]=4 14718 B13R1.15 CNC(=O)NCc1ccnc(c1)C 2708a_100102657272_100011934566 [0,1,0,0,0,2|1,0,0]=4 14719 B13R1.15 CNC(=O)NCc1ccnc(c1)C 273464a_100011934566_100102657272 [0,1,0,0,0,2|1,0,0]=4 14720 B13R1.15 CNC(=O)NCc1ccnc(c1)C 273464a_100102657272_100011934566 [0,1,0,0,0,2|1,0,0]=4 14721 B13R1.15 CNC(=O)NCc1ccnc(c1)C 512a_100011934566_100102657272 [0,1,0,0,0,2|1,0,0]=4 14722 B13R1.15 CNC(=O)NCc1ccnc(c1)C 512a_106832991638_100011934566 [0,1,0,0,0,2|1,0,0]=4 14723 B13R1.15 CNC(=O)NCc1cncc(c1)C 2708a_100000692839_106832991635 [0,1,0,0,0,2|1,0,0]=4 14724 B13R1.15 CNC(=O)NCc1cncc(c1)C 2708a_100102657272_100000692839 [0,1,0,0,0,2|1,0,0]=4 14725 B13R1.15 CNC(=O)NCc1cncc(c1)C 273464a_100000692839_100102657272 [0,1,0,0,0,2|1,0,0]=4 14726 B13R1.15 CNC(=O)NCc1cncc(c1)C 273464a_100102657272_100000692839 [0,1,0,0,0,2|1,0,0]=4 14727 B13R1.15 CNC(=O)NCc1cncc(c1)C 512a_100000692839_100102657272 [0,1,0,0,0,2|1,0,0]=4 14728 B13R1.15 CNC(=O)NCc1cncc(c1)C 512a_106832991638_100000692839 [0,1,0,0,0,2|1,0,0]=4 14729 B13R1.15 CNC(=O)NNc1cc(ccn1)C 273464a_100102657272_100000746014 [0,1,0,0,0,2|1,0,0]=4 14730 B13R1.15 CNC(=O)NNc1cc(ccn1)C 512a_106832991638_100000746014 [0,1,0,0,0,2|1,0,0]=4 14731 B13R1.15 CNC(=O)NNc1cccc(c1)Br 273464a_100102657272_100000217339 [0,1,0,0,0,2|1,0,0]=4 14732 B13R1.15 CNC(=O)NNc1cccc(c1)Br 512a_100000217339_100102657272 [0,1,0,0,0,2|1,0,0]=4 14733 B13R1.15 CNC(=O)NNc1cccc(c1)Br 512a_106832991638_100000217339 [0,1,0,0,0,2|1,0,0]=4 14734 B13R1.15 CNC(=O)NNc1cccc(c1)C 273464a_100102657272_100000681630 [0,1,0,0,0,2|0,0,0]=3 14735 B13R1.15 CNC(=O)NNc1cccc(c1)C 512a_100000681630_100102657272 [0,1,0,0,0,2|0,0,0]=3 14736 B13R1.15 CNC(=O)NNc1cccc(c1)C 512a_106832991638_100000681630 [0,1,0,0,0,2|0,0,0]=3 14737 B13R1.15 CNC(=O)NNc1cccc(c1)Cl 273464a_100102657272_100000184277 [0,1,0,0,0,2|1,0,0]=4 14738 B13R1.15 CNC(=O)NNc1cccc(c1)Cl 512a_106832991638_100000184277 [0,1,0,0,0,2|1,0,0]=4 14739 B13R1.15 CNC(=O)NNc1cccc(c1)F 273464a_100102657272_100000745080 [0,1,0,0,0,2|1,0,0]=4 14740 B13R1.15 CNC(=O)NNc1cccc(c1)F 512a_100000745080_100102657272 [0,1,0,0,0,2|1,0,0]=4 14741 B13R1.15 CNC(=O)NNc1cccc(c1)F 512a_106832991638_100000745080 [0,1,0,0,0,2|1,0,0]=4 14742 B13R1.15 CNC(=O)NNc1cccc(c1)I 273464a_100102657272_100020605690 [0,1,0,0,0,2|1,0,0]=4 14743 B13R1.15 CNC(=O)NNc1cccc(c1)I 512a_100020605690_100102657272 [0,1,0,0,0,2|1,0,0]=4 14744 B13R1.15 CNC(=O)NNc1cccc(c1)I 512a_106832991638_100020605690 [0,1,0,0,0,2|1,0,0]=4 14745 B13R1.15 CNC(=O)NNc1cccc(n1)C 273464a_100102657272_100011363444 [0,1,0,0,0,2|1,0,0]=4 14746 B13R1.15 CNC(=O)NNc1cccc(n1)C 512a_106832991638_100011363444 [0,1,0,0,0,2|1,0,0]=4 14747 B13R1.15 COC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_100000149372 [0,1,0,0,0,2|1,0,0]=4 14748 B13R1.15 COC(=O)CCc1cccc(c1)O 271570a_203496583355_100000151591 [0,1,0,0,0,2|1,0,0]=4 14749 B13R1.15 COC(=O)CNc1cccc(c1)Br 34a_100000210019_100000747449 [0,1,0,0,0,2|1,0,0]=4 14750 B13R1.15 COC(=O)CNc1cccc(c1)C 2230a_100000188690_100000747449 [0,1,0,0,0,2|0,0,0]=3 14751 B13R1.15 COC(=O)CNc1cccc(c1)C 34a_100000188690_100000747449 [0,1,0,0,0,2|0,0,0]=3 14752 B13R1.15 COC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000747449 [0,1,0,0,0,2|1,0,0]=4 14753 B13R1.15 COC(=O)CNc1cccc(c1)F 34a_100000210047_100000747449 [0,1,0,0,0,2|1,0,0]=4 14754 B13R1.15 COC(=O)CNc1cccc(c1)I 34a_100000211102_100000747449 [0,1,0,0,0,2|1,0,0]=4 14755 B13R1.15 COC(=O)CNc1cccc(c1)O 34a_100000210217_100000747449 [0,1,0,0,0,2|1,0,0]=4 14756 B13R1.15 COC(=O)COc1cccc(c1)Br 34a_100000210342_100000747449 [0,1,0,0,0,2|1,0,0]=4 14757 B13R1.15 COC(=O)COc1cccc(c1)Br 7a_100000210342_100000747449 [0,1,0,0,0,2|1,0,0]=4 14758 B13R1.15 COC(=O)COc1cccc(c1)C 34a_100000210337_100000747449 [0,1,0,0,0,2|0,0,0]=3 14759 B13R1.15 COC(=O)COc1cccc(c1)C 7a_100000210337_100000747449 [0,1,0,0,0,2|0,0,0]=3 14760 B13R1.15 COC(=O)COc1cccc(c1)Cl 34a_100000210295_100000747449 [0,1,0,0,0,2|1,0,0]=4 14761 B13R1.15 COC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747449 [0,1,0,0,0,2|1,0,0]=4 14762 B13R1.15 COC(=O)COc1cccc(c1)F 34a_100000210426_100000747449 [0,1,0,0,0,2|1,0,0]=4 14763 B13R1.15 COC(=O)COc1cccc(c1)F 7a_100000210426_100000747449 [0,1,0,0,0,2|1,0,0]=4 14764 B13R1.15 COC(=O)COc1cccc(c1)I 34a_100000211634_100000747449 [0,1,0,0,0,2|1,0,0]=4 14765 B13R1.15 COC(=O)COc1cccc(c1)I 7a_100000211634_100000747449 [0,1,0,0,0,2|1,0,0]=4 14766 B13R1.15 COC(=O)COc1cccc(c1)N 34a_100000210217_100000747449 [0,1,0,0,0,2|1,0,0]=4 14767 B13R1.15 COC(=O)COc1cccc(c1)O 271570a_203496583355_200000148702 [0,1,0,0,0,2|1,0,0]=4 14768 B13R1.15 COC(=O)COc1ccnc(c1)C 34a_100000688365_100000747449 [0,1,0,0,0,2|1,0,0]=4 14769 B13R1.15 COC(=O)COc1cncc(c1)C 34a_100011830280_100000747449 [0,1,0,0,0,2|1,0,0]=4 14770 B13R1.15 COC(=O)COc1cncc(c1)C 7a_100011830280_100000747449 [0,1,0,0,0,2|1,0,0]=4 14771 B13R1.15 COC(=O)CSc1cc(ccn1)C 62a_100000747449_100000750283 [0,1,0,0,0,2|1,0,0]=4 14772 B13R1.15 COC(=O)CSc1cc(ccn1)C 62a_100000750283_100000747449 [0,1,0,0,0,2|1,0,0]=4 14773 B13R1.15 COC(=O)CSc1ccc[n+](c1)C 62a_100000747449_100009996589 [0,1,0,0,0,2|1,0,0]=4 14774 B13R1.15 COC(=O)CSc1ccc[n+](c1)C 62a_100009996589_100000747449 [0,1,0,0,0,2|1,0,0]=4 14775 B13R1.15 COC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747449 [0,1,0,0,0,2|1,0,0]=4 14776 B13R1.15 COC(=O)CSc1cccc(c1)Br 62a_100000747449_100000691529 [0,1,0,0,0,2|1,0,0]=4 14777 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100000747449_100011215228 [0,1,0,0,0,2|0,0,0]=3 14778 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100011215228_100000747449 [0,1,0,0,0,2|0,0,0]=3 14779 B13R1.15 COC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747449 [0,1,0,0,0,2|1,0,0]=4 14780 B13R1.15 COC(=O)CSc1cccc(c1)Cl 62a_100000747449_100000699651 [0,1,0,0,0,2|1,0,0]=4 14781 B13R1.15 COC(=O)CSc1cccc(c1)F 62a_100000685547_100000747449 [0,1,0,0,0,2|1,0,0]=4 14782 B13R1.15 COC(=O)CSc1cccc(c1)F 62a_100000747449_100000685547 [0,1,0,0,0,2|1,0,0]=4 14783 B13R1.15 COC(=O)CSc1cccc(c1)N 62a_100000210019_100000747449 [0,1,0,0,0,2|1,0,0]=4 14784 B13R1.15 COC(=O)CSc1cccc(c1)N 62a_100000747449_100000210019 [0,1,0,0,0,2|1,0,0]=4 14785 B13R1.15 COC(=O)CSc1cccc(c1)O 271570a_203496583355_100011756034 [0,1,0,0,0,2|1,0,0]=4 14786 B13R1.15 COC(=O)CSc1cccc(c1)O 62a_100000747449_100000211634 [0,1,0,0,0,2|1,0,0]=4 14787 B13R1.15 COC(=O)CSc1cccc(c1)[S] 62a_100000747449_114929384022 [0,1,0,0,0,2|1,0,0]=4 14788 B13R1.15 COC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747449 [0,1,0,0,0,2|1,0,0]=4 14789 B13R1.15 COC(=O)CSc1cccc(n1)C 62a_100000742759_100000747449 [0,1,0,0,0,2|1,0,0]=4 14790 B13R1.15 COC(=O)CSc1cccc(n1)C 62a_100000747449_100000742759 [0,1,0,0,0,2|1,0,0]=4 14791 B13R1.15 COC(=O)CSc1ccnc(c1)C 62a_100000747449_100000758586 [0,1,0,0,0,2|1,0,0]=4 14792 B13R1.15 COC(=O)CSc1ccnc(c1)C 62a_100000758586_100000747449 [0,1,0,0,0,2|1,0,0]=4 14793 B13R1.15 COC(=O)CSc1cncc(c1)C 62a_100000747449_100000760492 [0,1,0,0,0,2|1,0,0]=4 14794 B13R1.15 COC(=O)CSc1cncc(c1)C 62a_100000760492_100000747449 [0,1,0,0,0,2|1,0,0]=4 14795 B13R1.15 Cc1cc(ccn1)CNC(=O)CO 240690a_100011934566_100000210174 [0,1,0,0,0,2|1,0,0]=4 14796 B13R1.15 Cc1cc(ccn1)CNC(=O)CO 527a_100011934566_100000210174 [0,1,0,0,0,2|1,0,0]=4 14797 B13R1.15 Cc1cccc(c1)C#CC(=O)CF 1458a_100011892726_100015361967 [0,1,0,0,0,2|0,0,0]=3 14798 B13R1.15 Cc1cccc(c1)C=CC(=O)CF 1458a_100000690095_100015361967 [0,1,0,0,0,2|0,0,0]=3 14799 B13R1.15 Cc1cccc(c1)CCC(=O)CF 1458a_100000234952_100015361967 [0,1,0,0,0,2|0,0,0]=3 14800 B13R1.15 Cc1cccc(c1)CCC(=O)CO 1458a_100000210174_100011713685 [0,1,0,0,0,2|0,0,0]=3 14801 B13R1.15 Cc1cccc(c1)CNC(=O)CO 240690a_100000185548_100000210174 [0,1,0,0,0,2|0,0,0]=3 14802 B13R1.15 Cc1cccc(c1)CNC(=O)CO 527a_100000185548_100000210174 [0,1,0,0,0,2|0,0,0]=3 14803 B13R1.15 Cc1cccc(c1)NNC(=O)CO 22a_100000681630_100000210174 [0,1,0,0,0,2|0,0,0]=3 14804 B13R1.15 Cc1cccc(c1)OCC(=O)CF 1458a_100000183606_100015361967 [0,1,0,0,0,2|0,0,0]=3 14805 B13R1.15 Cc1cccc(n1)CNC(=O)CO 240690a_100000701342_100000210174 [0,1,0,0,0,2|1,0,0]=4 14806 B13R1.15 Cc1cccc(n1)CNC(=O)CO 527a_100000701342_100000210174 [0,1,0,0,0,2|1,0,0]=4 14807 B13R1.15 Cc1cccc(n1)NNC(=O)CO 22a_100011363444_100000210174 [0,1,0,0,0,2|1,0,0]=4 14808 B13R1.15 Cc1ccnc(c1)CNC(=O)CO 240690a_100011934573_100000210174 [0,1,0,0,0,2|1,0,0]=4 14809 B13R1.15 Cc1ccnc(c1)CNC(=O)CO 527a_100011934573_100000210174 [0,1,0,0,0,2|1,0,0]=4 14810 B13R1.15 Cc1ccnc(c1)NNC(=O)CO 22a_100000746014_100000210174 [0,1,0,0,0,2|1,0,0]=4 14811 B13R1.15 Cc1cncc(c1)C=CC(=O)CBr 6a_100011998712_100009888967 [0,1,0,0,0,2|1,0,0]=4 14812 B13R1.15 Cc1cncc(c1)C=CC(=O)CCl 6a_100011998712_100000086384 [0,1,0,0,0,2|1,0,0]=4 14813 B13R1.15 Cc1cncc(c1)C=CC(=O)CF 6a_100011998712_100000764096 [0,1,0,0,0,2|1,0,0]=4 14814 B13R1.15 Cc1cncc(c1)CNC(=O)CO 240690a_100000692839_100000210174 [0,1,0,0,0,2|1,0,0]=4 14815 B13R1.15 Cc1cncc(c1)CNC(=O)CO 527a_100000692839_100000210174 [0,1,0,0,0,2|1,0,0]=4 14816 B13R1.15 O=C(C#Cc1cccc(c1)Br)CF 1458a_100012100324_100015361967 [0,1,0,0,0,2|1,0,0]=4 14817 B13R1.15 O=C(C#Cc1cccc(c1)Cl)CF 1458a_100011892777_100015361967 [0,1,0,0,0,2|1,0,0]=4 14818 B13R1.15 O=C(C#Cc1cccc(c1)F)CF 1458a_100011892744_100015361967 [0,1,0,0,0,2|1,0,0]=4 14819 B13R1.15 O=C(C#Cc1cccc(c1)O)CF 1458a_200009909484_100015361967 [0,1,0,0,0,2|1,0,0]=4 14820 B13R1.15 O=C(C=Cc1cccc(c1)Br)CBr 6a_100000210085_100009888967 [0,1,0,0,0,2|1,0,0]=4 14821 B13R1.15 O=C(C=Cc1cccc(c1)Br)CCl 6a_100000210085_100000086384 [0,1,0,0,0,2|1,0,0]=4 14822 B13R1.15 O=C(C=Cc1cccc(c1)Br)CF 1458a_100016258244_100015361967 [0,1,0,0,0,2|1,0,0]=4 14823 B13R1.15 O=C(C=Cc1cccc(c1)Br)CF 6a_100000210085_100000764096 [0,1,0,0,0,2|1,0,0]=4 14824 B13R1.15 O=C(C=Cc1cccc(c1)Cl)CF 1458a_100000184502_100015361967 [0,1,0,0,0,2|1,0,0]=4 14825 B13R1.15 O=C(C=Cc1cccc(c1)F)CBr 6a_100000210812_100009888967 [0,1,0,0,0,2|1,0,0]=4 14826 B13R1.15 O=C(C=Cc1cccc(c1)F)CCl 6a_100000210812_100000086384 [0,1,0,0,0,2|1,0,0]=4 14827 B13R1.15 O=C(C=Cc1cccc(c1)F)CF 1458a_100000718793_100015361967 [0,1,0,0,0,2|1,0,0]=4 14828 B13R1.15 O=C(C=Cc1cccc(c1)F)CF 6a_100000210812_100000764096 [0,1,0,0,0,2|1,0,0]=4 14829 B13R1.15 O=C(C=Cc1cccc(c1)I)CBr 6a_100000014684_100009888967 [0,1,0,0,0,2|1,0,0]=4 14830 B13R1.15 O=C(C=Cc1cccc(c1)I)CCl 6a_100000014684_100000086384 [0,1,0,0,0,2|1,0,0]=4 14831 B13R1.15 O=C(C=Cc1cccc(c1)I)CF 1458a_100020647043_100015361967 [0,1,0,0,0,2|1,0,0]=4 14832 B13R1.15 O=C(C=Cc1cccc(c1)I)CF 6a_100000014684_100000764096 [0,1,0,0,0,2|1,0,0]=4 14833 B13R1.15 O=C(CF)CCc1cccc(c1)Br 1458a_100000184314_100015361967 [0,1,0,0,0,2|1,0,0]=4 14834 B13R1.15 O=C(CF)CCc1cccc(c1)Cl 1458a_100000235675_100015361967 [0,1,0,0,0,2|1,0,0]=4 14835 B13R1.15 O=C(CF)CCc1cccc(c1)F 1458a_100000235673_100015361967 [0,1,0,0,0,2|1,0,0]=4 14836 B13R1.15 O=C(CF)CCc1cccc(c1)I 1458a_100010007846_100015361967 [0,1,0,0,0,2|1,0,0]=4 14837 B13R1.15 O=C(CF)CCc1cccc(c1)O 1458a_100011216126_100015361967 [0,1,0,0,0,2|1,0,0]=4 14838 B13R1.15 O=C(CF)COc1cccc(c1)Br 1458a_100000182359_100015361967 [0,1,0,0,0,2|1,0,0]=4 14839 B13R1.15 O=C(CF)COc1cccc(c1)Cl 1458a_100000184978_100015361967 [0,1,0,0,0,2|1,0,0]=4 14840 B13R1.15 O=C(CF)COc1cccc(c1)F 1458a_100000182781_100015361967 [0,1,0,0,0,2|1,0,0]=4 14841 B13R1.15 O=C(CF)CSc1cccc(c1)Br 1458a_100000760868_100015361967 [0,1,0,0,0,2|1,0,0]=4 14842 B13R1.15 O=C(CO)CCc1cccc(c1)Br 1458a_100000210174_100011740638 [0,1,0,0,0,2|1,0,0]=4 14843 B13R1.15 O=C(CO)CCc1cccc(c1)Cl 1458a_100000210174_100011713710 [0,1,0,0,0,2|1,0,0]=4 14844 B13R1.15 O=C(CO)CCc1cccc(c1)F 1458a_100000210174_100011217235 [0,1,0,0,0,2|1,0,0]=4 14845 B13R1.15 O=C(CO)NCc1cccc(c1)Br 240690a_100000174977_100000210174 [0,1,0,0,0,2|1,0,0]=4 14846 B13R1.15 O=C(CO)NCc1cccc(c1)Br 527a_100000174977_100000210174 [0,1,0,0,0,2|1,0,0]=4 14847 B13R1.15 O=C(CO)NCc1cccc(c1)Cl 240690a_100000174878_100000210174 [0,1,0,0,0,2|1,0,0]=4 14848 B13R1.15 O=C(CO)NCc1cccc(c1)Cl 527a_100000174878_100000210174 [0,1,0,0,0,2|1,0,0]=4 14849 B13R1.15 O=C(CO)NCc1cccc(c1)F 240690a_100000174948_100000210174 [0,1,0,0,0,2|1,0,0]=4 14850 B13R1.15 O=C(CO)NCc1cccc(c1)F 527a_100000174948_100000210174 [0,1,0,0,0,2|1,0,0]=4 14851 B13R1.15 O=C(CO)NCc1cccc(c1)I 240690a_100000106179_100000210174 [0,1,0,0,0,2|1,0,0]=4 14852 B13R1.15 O=C(CO)NCc1cccc(c1)I 527a_100000106179_100000210174 [0,1,0,0,0,2|1,0,0]=4 14853 B13R1.15 O=C(CO)NCc1cccc(c1)O 240690a_100000743036_100000210174 [0,1,0,0,0,2|1,0,0]=4 14854 B13R1.15 O=C(CO)NCc1cccc(c1)O 527a_100000743036_100000210174 [0,1,0,0,0,2|1,0,0]=4 14855 B13R1.15 O=C(CO)NNc1cccc(c1)Br 22a_100000217339_100000210174 [0,1,0,0,0,2|1,0,0]=4 14856 B13R1.15 O=C(CO)NNc1cccc(c1)Cl 22a_100000184277_100000210174 [0,1,0,0,0,2|1,0,0]=4 14857 B13R1.15 O=C(CO)NNc1cccc(c1)F 22a_100000745080_100000210174 [0,1,0,0,0,2|1,0,0]=4 14858 B13R1.15 O=C(CO)NNc1cccc(c1)I 22a_100020605690_100000210174 [0,1,0,0,0,2|1,0,0]=4 14859 B13R1.147 C=C(C)CC(=O)c1cccc(c1)C 1458a_100000189346_100000748629 [0,1,0,0,0,2|1,0,0]=4 14860 B13R1.147 C=C(C)CN(C)c1cccc(c1)C 2230a_100000219674_100000748629 [0,1,0,0,0,2|1,0,0]=4 14861 B13R1.147 C=C(C)CN(C)c1cccc(c1)C 269982a_100000219674_100000748629 [0,1,0,0,0,2|1,0,0]=4 14862 B13R1.147 C=C(C)CN(C)c1cccc(c1)C 34a_100000219674_100000748629 [0,1,0,0,0,2|1,0,0]=4 14863 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000070787_100000212080 [0,1,0,0,0,2|1,0,0]=4 14864 B13R1.147 CC(=O)CC(=O)c1cccc(c1)C 1458a_100000070787_100000739480 [0,1,0,0,0,2|0,0,0]=3 14865 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000070787_100000211444 [0,1,0,0,0,2|1,0,0]=4 14866 B13R1.147 CC(=O)CC(=O)c1cccc(c1)F 1458a_100000070787_100000215616 [0,1,0,0,0,2|1,0,0]=4 14867 B13R1.147 CC(=O)CC(=O)c1cccc(c1)O 1458a_100000070787_100009813753 [0,1,0,0,0,2|1,0,0]=4 14868 B13R1.147 CC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200000210301 [0,1,0,0,0,2|1,0,0]=4 14869 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C 11a_100011933787_100015343762 [0,1,0,0,0,2|1,0,0]=4 14870 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C 1626a_100011933787_100015343762 [0,1,0,0,0,2|1,0,0]=4 14871 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C 240690a_100011933787_100015343762 [0,1,0,0,0,2|1,0,0]=4 14872 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C 527a_100011933787_100103153847 [0,1,0,0,0,2|1,0,0]=4 14873 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 11a_100020642005_100015343762 [0,1,0,0,0,2|1,0,0]=4 14874 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 1626a_100020642005_100015343762 [0,1,0,0,0,2|1,0,0]=4 14875 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 240690a_100020642005_100015343762 [0,1,0,0,0,2|1,0,0]=4 14876 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 527a_100020642005_100103153847 [0,1,0,0,0,2|1,0,0]=4 14877 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 11a_100102723534_100015343762 [0,1,0,0,0,2|1,0,0]=4 14878 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 1626a_100102723534_100015343762 [0,1,0,0,0,2|1,0,0]=4 14879 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 240690a_100102723534_100015343762 [0,1,0,0,0,2|1,0,0]=4 14880 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 527a_100102723534_100103153847 [0,1,0,0,0,2|1,0,0]=4 14881 B13R1.147 CC(=O)NC(C)c1cccc(c1)O 240690a_100000740644_100015343762 [0,1,0,0,0,2|1,0,0]=4 14882 B13R1.147 CC(=O)NC(C)c1cccc(c1)O 527a_100000740644_100103153847 [0,1,0,0,0,2|1,0,0]=4 14883 B13R1.147 CC(=O)NC(C)c1cccc(n1)C 11a_100011877385_100015343762 [0,1,0,0,0,2|1,0,0]=4 14884 B13R1.147 CC(=O)NC(C)c1cccc(n1)C 1626a_100011877385_100015343762 [0,1,0,0,0,2|1,0,0]=4 14885 B13R1.147 CC(=O)NC(C)c1cccc(n1)C 240690a_100011877385_100015343762 [0,1,0,0,0,2|1,0,0]=4 14886 B13R1.147 CC(=O)NC(C)c1cccc(n1)C 527a_100011877385_100103153847 [0,1,0,0,0,2|1,0,0]=4 14887 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 11a_100000698126_100015343762 [0,1,0,0,0,2|0,0,0]=3 14888 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 1626a_100000698126_100015343762 [0,1,0,0,0,2|0,0,0]=3 14889 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 240690a_100000698126_100015343762 [0,1,0,0,0,2|0,0,0]=3 14890 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 527a_100000698126_100103153847 [0,1,0,0,0,2|0,0,0]=3 14891 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 11a_100015193778_100015343762 [0,1,0,0,0,2|1,0,0]=4 14892 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 1626a_100015193778_100015343762 [0,1,0,0,0,2|1,0,0]=4 14893 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 240690a_100015193778_100015343762 [0,1,0,0,0,2|1,0,0]=4 14894 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 527a_100015193778_100103153847 [0,1,0,0,0,2|1,0,0]=4 14895 B13R1.147 Cc1cccc(c1)C(=O)CC(=O)N 1458a_100000189346_100000187820 [0,1,0,0,0,2|1,0,0]=4 14896 B13R1.147 Cc1cccc(c1)C(=O)CC(=O)[O-] 1458a_100000189346_100020667443 [0,1,0,0,0,2|1,0,0]=4 14897 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 2230a_100000219674_100000747473 [0,1,0,0,0,2|1,0,0]=4 14898 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 269982a_100000219674_100000187820 [0,1,0,0,0,2|1,0,0]=4 14899 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 34a_100000219674_100000187820 [0,1,0,0,0,2|1,0,0]=4 14900 B13R1.147 Cc1cccc(c1)N(C)CC(=O)[O-] 269982a_100000219674_100020667443 [0,1,0,0,0,2|1,0,0]=4 14901 B13R1.147 Cc1cccc(c1)N(C)CC(=O)[O-] 34a_100000219674_100020667443 [0,1,0,0,0,2|1,0,0]=4 14902 B13R1.147 [13CH3]C(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200025704644 [0,1,0,0,0,2|1,0,0]=4 14903 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)C 1458a_100000185857_100000211840 [0,1,0,0,0,2|1,0,0]=4 14904 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 11a_100000188690_100000185857 [0,1,0,0,0,2|1,0,0]=4 14905 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000185857 [0,1,0,0,0,2|1,0,0]=4 14906 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 22a_100000188690_100000185857 [0,1,0,0,0,2|1,0,0]=4 14907 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200000210301 [0,1,0,0,0,2|1,0,0]=4 14908 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200000210301 [0,1,0,0,0,2|1,0,0]=4 14909 B13R1.148 CC(=O)C(C)Nc1cccc(c1)C 2230a_100000188690_100009814033 [0,1,0,0,0,2|0,0,0]=3 14910 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Br 1458a_100000246016_200000210301 [0,1,0,0,0,2|1,0,0]=4 14911 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Br 7a_100000210342_100000179758 [0,1,0,0,0,2|1,0,0]=4 14912 B13R1.148 CC(=O)C(C)Oc1cccc(c1)C 1458a_100000183885_200000210301 [0,1,0,0,0,2|0,0,0]=3 14913 B13R1.148 CC(=O)C(C)Oc1cccc(c1)C 7a_100000210337_100000179758 [0,1,0,0,0,2|0,0,0]=3 14914 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Cl 1458a_100000185161_200000210301 [0,1,0,0,0,2|1,0,0]=4 14915 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Cl 7a_100000210295_100000179758 [0,1,0,0,0,2|1,0,0]=4 14916 B13R1.148 CC(=O)C(C)Oc1cccc(c1)F 7a_100000210426_100000179758 [0,1,0,0,0,2|1,0,0]=4 14917 B13R1.148 CC(=O)C(C)Oc1cccc(c1)I 7a_100000211634_100000179758 [0,1,0,0,0,2|1,0,0]=4 14918 B13R1.148 CC(=O)C(C)Oc1cncc(c1)C 7a_100011830280_100000179758 [0,1,0,0,0,2|1,0,0]=4 14919 B13R1.148 CC(=O)C(C)Sc1cc(ccn1)C 62a_100000750283_100009814033 [0,1,0,0,0,2|1,0,0]=4 14920 B13R1.148 CC(=O)C(C)Sc1cc(ccn1)C 62a_100009814033_100000750283 [0,1,0,0,0,2|1,0,0]=4 14921 B13R1.148 CC(=O)C(C)Sc1ccc[n+](c1)C 62a_100009814033_100009996589 [0,1,0,0,0,2|1,0,0]=4 14922 B13R1.148 CC(=O)C(C)Sc1ccc[n+](c1)C 62a_100009996589_100009814033 [0,1,0,0,0,2|1,0,0]=4 14923 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Br 62a_100000691529_100009814033 [0,1,0,0,0,2|1,0,0]=4 14924 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Br 62a_100009814033_100000691529 [0,1,0,0,0,2|1,0,0]=4 14925 B13R1.148 CC(=O)C(C)Sc1cccc(c1)C 62a_100009814033_100011215228 [0,1,0,0,0,2|0,0,0]=3 14926 B13R1.148 CC(=O)C(C)Sc1cccc(c1)C 62a_100011215228_100009814033 [0,1,0,0,0,2|0,0,0]=3 14927 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Cl 62a_100000699651_100009814033 [0,1,0,0,0,2|1,0,0]=4 14928 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Cl 62a_100009814033_100000699651 [0,1,0,0,0,2|1,0,0]=4 14929 B13R1.148 CC(=O)C(C)Sc1cccc(c1)F 62a_100000685547_100009814033 [0,1,0,0,0,2|1,0,0]=4 14930 B13R1.148 CC(=O)C(C)Sc1cccc(c1)F 62a_100009814033_100000685547 [0,1,0,0,0,2|1,0,0]=4 14931 B13R1.148 CC(=O)C(C)Sc1cccc(c1)N 62a_100000210019_100009814033 [0,1,0,0,0,2|1,0,0]=4 14932 B13R1.148 CC(=O)C(C)Sc1cccc(c1)N 62a_100009814033_100000210019 [0,1,0,0,0,2|1,0,0]=4 14933 B13R1.148 CC(=O)C(C)Sc1cccc(c1)O 62a_100009814033_100000211634 [0,1,0,0,0,2|1,0,0]=4 14934 B13R1.148 CC(=O)C(C)Sc1cccc(c1)[S] 62a_100009814033_114929384022 [0,1,0,0,0,2|1,0,0]=4 14935 B13R1.148 CC(=O)C(C)Sc1cccc(c1)[S] 62a_114929384022_100009814033 [0,1,0,0,0,2|1,0,0]=4 14936 B13R1.148 CC(=O)C(C)Sc1cccc(n1)C 62a_100000742759_100009814033 [0,1,0,0,0,2|1,0,0]=4 14937 B13R1.148 CC(=O)C(C)Sc1cccc(n1)C 62a_100009814033_100000742759 [0,1,0,0,0,2|1,0,0]=4 14938 B13R1.148 CC(=O)C(C)Sc1ccnc(c1)C 62a_100000758586_100009814033 [0,1,0,0,0,2|1,0,0]=4 14939 B13R1.148 CC(=O)C(C)Sc1ccnc(c1)C 62a_100009814033_100000758586 [0,1,0,0,0,2|1,0,0]=4 14940 B13R1.148 CC(=O)C(C)Sc1cncc(c1)C 62a_100000760492_100009814033 [0,1,0,0,0,2|1,0,0]=4 14941 B13R1.148 CC(=O)C(C)Sc1cncc(c1)C 62a_100009814033_100000760492 [0,1,0,0,0,2|1,0,0]=4 14942 B13R1.148 CC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200000210301 [0,1,0,0,0,2|1,0,0]=4 14943 B13R1.148 CC(=O)N(C)Cc1cc(ccn1)C 11a_106354213154_100015343762 [0,1,0,0,0,2|1,0,0]=4 14944 B13R1.148 CC(=O)N(C)Cc1cc(ccn1)C 240690a_106354213154_100015343762 [0,1,0,0,0,2|1,0,0]=4 14945 B13R1.148 CC(=O)N(C)Cc1cc(ccn1)C 527a_106354213154_100103153847 [0,1,0,0,0,2|1,0,0]=4 14946 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 11a_100000187585_100015343762 [0,1,0,0,0,2|1,0,0]=4 14947 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 1626a_100000187585_100015343762 [0,1,0,0,0,2|1,0,0]=4 14948 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 240690a_100000187585_100015343762 [0,1,0,0,0,2|1,0,0]=4 14949 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 527a_100000187585_100103153847 [0,1,0,0,0,2|1,0,0]=4 14950 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 11a_102495364743_100015343762 [0,1,0,0,0,2|0,0,0]=3 14951 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 1626a_102495364743_100015343762 [0,1,0,0,0,2|0,0,0]=3 14952 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 240690a_102495364743_100015343762 [0,1,0,0,0,2|0,0,0]=3 14953 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 527a_102495364743_100103153847 [0,1,0,0,0,2|0,0,0]=3 14954 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 11a_100020629429_100015343762 [0,1,0,0,0,2|1,0,0]=4 14955 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 1626a_100020629429_100015343762 [0,1,0,0,0,2|1,0,0]=4 14956 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 240690a_100020629429_100015343762 [0,1,0,0,0,2|1,0,0]=4 14957 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 527a_100020629429_100103153847 [0,1,0,0,0,2|1,0,0]=4 14958 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 11a_100000184398_100015343762 [0,1,0,0,0,2|1,0,0]=4 14959 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 1626a_100000184398_100015343762 [0,1,0,0,0,2|1,0,0]=4 14960 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 240690a_100000184398_100015343762 [0,1,0,0,0,2|1,0,0]=4 14961 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 527a_100000184398_100103153847 [0,1,0,0,0,2|1,0,0]=4 14962 B13R1.148 CC(=O)N(C)Cc1cccc(c1)O 240690a_100000207540_100015343762 [0,1,0,0,0,2|1,0,0]=4 14963 B13R1.148 CC(=O)N(C)Cc1cccc(c1)O 527a_100000207540_100103153847 [0,1,0,0,0,2|1,0,0]=4 14964 B13R1.148 CC(=O)N(C)Cc1cccc(n1)C 11a_100000687132_100015343762 [0,1,0,0,0,2|1,0,0]=4 14965 B13R1.148 CC(=O)N(C)Cc1cccc(n1)C 1626a_100000687132_100015343762 [0,1,0,0,0,2|1,0,0]=4 14966 B13R1.148 CC(=O)N(C)Cc1cccc(n1)C 240690a_100000687132_100015343762 [0,1,0,0,0,2|1,0,0]=4 14967 B13R1.148 CC(=O)N(C)Cc1cccc(n1)C 527a_100000687132_100103153847 [0,1,0,0,0,2|1,0,0]=4 14968 B13R1.148 CC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200000210301 [0,1,0,0,0,2|1,0,0]=4 14969 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)[13CH3] 1458a_100000246016_200025704644 [0,1,0,0,0,2|1,0,0]=4 14970 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)[13CH3] 1458a_100000185161_200025704644 [0,1,0,0,0,2|1,0,0]=4 14971 B13R1.148 Cc1cccc(c1)NC(=O)C(=O)N 22a_100000188690_100011215815 [0,1,0,0,0,2|1,0,0]=4 14972 B13R1.148 Cc1cccc(c1)NC(C)C(=O)N 2230a_100000188690_100000702099 [0,1,0,0,0,2|1,0,0]=4 14973 B13R1.148 Cc1cccc(c1)NC(C)C(=O)N 34a_100000188690_100000702099 [0,1,0,0,0,2|1,0,0]=4 14974 B13R1.148 Cc1cccc(c1)NC(F)C(=O)N 2230a_100000188690_100009813875 [0,1,0,0,0,2|1,0,0]=4 14975 B13R1.148 Cc1cccc(c1)NC(F)C(=O)N 34a_100000188690_100009813875 [0,1,0,0,0,2|1,0,0]=4 14976 B13R1.148 Cc1cccc(c1)NC(F)C(=O)[O-] 34a_100000188690_100020610796 [0,1,0,0,0,2|1,0,0]=4 14977 B13R1.148 Cc1cccc(c1)OC(C)C(=O)N 34a_100000210337_100000702099 [0,1,0,0,0,2|1,0,0]=4 14978 B13R1.148 Cc1cccc(c1)OC(C)C(=O)N 7a_100000210337_100000702099 [0,1,0,0,0,2|1,0,0]=4 14979 B13R1.148 Cc1cccc(c1)OC(C)C(=O)[13CH3] 1458a_100000183885_200025704644 [0,1,0,0,0,2|0,0,0]=3 14980 B13R1.148 Cc1cccc(c1)OC(F)C(=O)N 34a_100000210337_100009813875 [0,1,0,0,0,2|1,0,0]=4 14981 B13R1.148 Cc1cccc(c1)OC(F)C(=O)N 7a_100000210337_100009813875 [0,1,0,0,0,2|1,0,0]=4 14982 B13R1.148 Cc1cccc(c1)OC(F)C(=O)[O-] 34a_100000210337_100020610796 [0,1,0,0,0,2|1,0,0]=4 14983 B13R1.148 Cc1cccc(c1)SC(C)C(=O)N 62a_100000702099_100011215228 [0,1,0,0,0,2|1,0,0]=4 14984 B13R1.148 Cc1cccc(c1)SC(C)C(=O)N 62a_100011215228_100000702099 [0,1,0,0,0,2|1,0,0]=4 14985 B13R1.148 Cc1cccc(c1)SC(F)C(=O)N 62a_100009813875_100011215228 [0,1,0,0,0,2|1,0,0]=4 14986 B13R1.148 Cc1cccc(c1)SC(F)C(=O)N 62a_100011215228_100009813875 [0,1,0,0,0,2|1,0,0]=4 14987 B13R1.148 Cc1cccc(c1)SC(F)C(=O)[O-] 62a_100011215228_100020610796 [0,1,0,0,0,2|1,0,0]=4 14988 B13R1.148 Cc1cccc(c1)SC(F)C(=O)[O-] 62a_100020610796_100011215228 [0,1,0,0,0,2|1,0,0]=4 14989 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200025704644 [0,1,0,0,0,2|1,0,0]=4 14990 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200025704644 [0,1,0,0,0,2|1,0,0]=4 14991 B13R1.148 [13CH3]C(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200025704644 [0,1,0,0,0,2|1,0,0]=4 14992 B13R1.148 [13CH3]C(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200025704644 [0,1,0,0,0,2|1,0,0]=4 14993 B13R1.150 C=C(C)CNc1cccc(c1Br)C 34a_100000684715_100000748629 [0,1,0,0,0,2|1,0,0]=4 14994 B13R1.150 C=C(C)CNc1cccc(c1C)C 2230a_100000210026_100000748629 [0,1,0,0,0,2|1,0,0]=4 14995 B13R1.150 C=C(C)CNc1cccc(c1C)C 34a_100000210026_100000748629 [0,1,0,0,0,2|1,0,0]=4 14996 B13R1.150 C=C(C)CNc1cccc(c1C)C 7a_100000210026_100000748629 [0,1,0,0,0,2|1,0,0]=4 14997 B13R1.150 C=C(C)CNc1cccc(c1Cl)C 34a_100000765562_100000748629 [0,1,0,0,0,2|1,0,0]=4 14998 B13R1.150 C=C(C)CNc1cccc(c1Cl)C 7a_100000765562_100000748629 [0,1,0,0,0,2|1,0,0]=4 14999 B13R1.150 C=C(C)CNc1cccc(c1F)C 2230a_100000697159_100000748629 [0,1,0,0,0,2|1,0,0]=4 15000 B13R1.150 C=C(C)CNc1cccc(c1F)C 34a_100000697159_100000748629 [0,1,0,0,0,2|1,0,0]=4 15001 B13R1.150 C=C(C)CNc1cccc(c1F)C 7a_100000697159_100000748629 [0,1,0,0,0,2|1,0,0]=4 15002 B13R1.150 C=C(C)CNc1cccc(c1I)C 34a_100000761888_100000748629 [0,1,0,0,0,2|1,0,0]=4 15003 B13R1.150 C=C(C)CNc1cccc(c1O)C 34a_100000756359_100000748629 [0,1,0,0,0,2|1,0,0]=4 15004 B13R1.150 C=C(C)COc1cccc(c1Br)C 34a_100000686692_100000748629 [0,1,0,0,0,2|1,0,0]=4 15005 B13R1.150 C=C(C)COc1cccc(c1Br)C 7a_100000686692_100000748629 [0,1,0,0,0,2|1,0,0]=4 15006 B13R1.150 C=C(C)COc1cccc(c1C)C 34a_100000185855_100000748629 [0,1,0,0,0,2|1,0,0]=4 15007 B13R1.150 C=C(C)COc1cccc(c1C)C 7a_100000185855_100000748629 [0,1,0,0,0,2|1,0,0]=4 15008 B13R1.150 C=C(C)COc1cccc(c1Cl)C 34a_100000695629_100000748629 [0,1,0,0,0,2|1,0,0]=4 15009 B13R1.150 C=C(C)COc1cccc(c1Cl)C 7a_100000695629_100000748629 [0,1,0,0,0,2|1,0,0]=4 15010 B13R1.150 C=C(C)COc1cccc(c1F)C 34a_100000751311_100000748629 [0,1,0,0,0,2|1,0,0]=4 15011 B13R1.150 C=C(C)COc1cccc(c1F)C 7a_100000751311_100000748629 [0,1,0,0,0,2|1,0,0]=4 15012 B13R1.150 C=C(C)COc1cccc(c1I)C 34a_100010083724_100000748629 [0,1,0,0,0,2|1,0,0]=4 15013 B13R1.150 C=C(C)COc1cccc(c1I)C 7a_100010083724_100000748629 [0,1,0,0,0,2|1,0,0]=4 15014 B13R1.150 C=C(C)COc1cccc(c1N)C 34a_100000743429_100000748629 [0,1,0,0,0,2|1,0,0]=4 15015 B13R1.150 C=C(C)COc1cccc(c1N)C 7a_100000743429_100000748629 [0,1,0,0,0,2|1,0,0]=4 15016 B13R1.150 C=C(C)CSc1cccc(c1Br)C 62a_100000748629_100012362457 [0,1,0,0,0,2|1,0,0]=4 15017 B13R1.150 C=C(C)CSc1cccc(c1Br)C 62a_100012362457_100000211660 [0,1,0,0,0,2|1,0,0]=4 15018 B13R1.150 C=C(C)CSc1cccc(c1C)C 62a_100000748629_100011214922 [0,1,0,0,0,2|1,0,0]=4 15019 B13R1.150 C=C(C)CSc1cccc(c1C)C 62a_100011214922_100000211660 [0,1,0,0,0,2|1,0,0]=4 15020 B13R1.150 C=C(C)CSc1cccc(c1Cl)C 62a_100000748629_200012352035 [0,1,0,0,0,2|1,0,0]=4 15021 B13R1.150 C=C(C)CSc1cccc(c1Cl)C 62a_200012352035_100000211660 [0,1,0,0,0,2|1,0,0]=4 15022 B13R1.150 C=C(C)CSc1cccc(c1F)C 62a_100000717567_100000211660 [0,1,0,0,0,2|1,0,0]=4 15023 B13R1.150 C=C(C)CSc1cccc(c1F)C 62a_100000748629_100000717567 [0,1,0,0,0,2|1,0,0]=4 15024 B13R1.150 C=C(C)CSc1cccc(c1N)C 62a_100000748629_100011834072 [0,1,0,0,0,2|1,0,0]=4 15025 B13R1.150 C=C(C)CSc1cccc(c1N)C 62a_100011834072_100000211660 [0,1,0,0,0,2|1,0,0]=4 15026 B13R1.150 C=C(C)CSc1cccc(c1O)C 62a_100000748629_100009817157 [0,1,0,0,0,2|1,0,0]=4 15027 B13R1.150 C=C(C)CSc1cccc(c1O)C 62a_100009817157_100000211660 [0,1,0,0,0,2|1,0,0]=4 15028 B13R1.150 CC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_200000210301 [0,1,0,0,0,2|1,0,0]=4 15029 B13R1.150 CC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200000210301 [0,1,0,0,0,2|1,0,0]=4 15030 B13R1.150 CC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200000210301 [0,1,0,0,0,2|1,0,0]=4 15031 B13R1.150 CC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200000210301 [0,1,0,0,0,2|1,0,0]=4 15032 B13R1.150 CC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200000210301 [0,1,0,0,0,2|1,0,0]=4 15033 B13R1.150 CC(=O)CCc1cccc(c1C)C 1458a_100011218151_200000210301 [0,1,0,0,0,2|0,0,0]=3 15034 B13R1.150 CC(=O)CCc1cccc(c1C)F 1458a_100000069055_200000210301 [0,1,0,0,0,2|1,0,0]=4 15035 B13R1.150 CC(=O)CCc1cccc(c1Cl)Cl 1458a_100000070787_100000723033 [0,1,0,0,0,2|1,0,0]=4 15036 B13R1.150 CC(=O)CCc1cccc(c1Cl)Cl 1458a_100000739359_200000210301 [0,1,0,0,0,2|1,0,0]=4 15037 B13R1.150 CC(=O)CCc1cccc(c1F)Br 1458a_100012349569_200000210301 [0,1,0,0,0,2|1,0,0]=4 15038 B13R1.150 CC(=O)CCc1cccc(c1F)Cl 1458a_100012349026_200000210301 [0,1,0,0,0,2|1,0,0]=4 15039 B13R1.150 CC(=O)CCc1cccc(c1F)F 1458a_100000748811_200000210301 [0,1,0,0,0,2|1,0,0]=4 15040 B13R1.150 CC(=O)CCc1cccc(c1O)O 1458a_100009873524_200000210301 [0,1,0,0,0,2|1,0,0]=4 15041 B13R1.150 CC(=O)COc1cccc(c1C)C 1458a_200000183798_200000210301 [0,1,0,0,0,2|0,0,0]=3 15042 B13R1.150 CC(=O)COc1cccc(c1Cl)Cl 1458a_100000191259_200000210301 [0,1,0,0,0,2|1,0,0]=4 15043 B13R1.150 CC(=O)NCc1cccc(c1Br)F 11a_100020638964_100015343762 [0,1,0,0,0,2|1,0,0]=4 15044 B13R1.150 CC(=O)NCc1cccc(c1Br)F 1626a_100020638964_100015343762 [0,1,0,0,0,2|1,0,0]=4 15045 B13R1.150 CC(=O)NCc1cccc(c1Br)F 240690a_100020638964_100015343762 [0,1,0,0,0,2|1,0,0]=4 15046 B13R1.150 CC(=O)NCc1cccc(c1Br)F 527a_100020638964_100103153847 [0,1,0,0,0,2|1,0,0]=4 15047 B13R1.150 CC(=O)NCc1cccc(c1C)Br 11a_100000724210_100015343762 [0,1,0,0,0,2|1,0,0]=4 15048 B13R1.150 CC(=O)NCc1cccc(c1C)Br 1626a_100000724210_100015343762 [0,1,0,0,0,2|1,0,0]=4 15049 B13R1.150 CC(=O)NCc1cccc(c1C)Br 240690a_100000724210_100015343762 [0,1,0,0,0,2|1,0,0]=4 15050 B13R1.150 CC(=O)NCc1cccc(c1C)Br 527a_100000724210_100103153847 [0,1,0,0,0,2|1,0,0]=4 15051 B13R1.150 CC(=O)NCc1cccc(c1C)C 11a_100011211637_100015343762 [0,1,0,0,0,2|0,0,0]=3 15052 B13R1.150 CC(=O)NCc1cccc(c1C)C 1626a_100011211637_100015343762 [0,1,0,0,0,2|0,0,0]=3 15053 B13R1.150 CC(=O)NCc1cccc(c1C)C 240690a_100011211637_100015343762 [0,1,0,0,0,2|0,0,0]=3 15054 B13R1.150 CC(=O)NCc1cccc(c1C)C 527a_100011211637_100103153847 [0,1,0,0,0,2|0,0,0]=3 15055 B13R1.150 CC(=O)NCc1cccc(c1C)Cl 11a_100020639605_100015343762 [0,1,0,0,0,2|1,0,0]=4 15056 B13R1.150 CC(=O)NCc1cccc(c1C)Cl 1626a_100020639605_100015343762 [0,1,0,0,0,2|1,0,0]=4 15057 B13R1.150 CC(=O)NCc1cccc(c1C)Cl 240690a_100020639605_100015343762 [0,1,0,0,0,2|1,0,0]=4 15058 B13R1.150 CC(=O)NCc1cccc(c1C)Cl 527a_100020639605_100103153847 [0,1,0,0,0,2|1,0,0]=4 15059 B13R1.150 CC(=O)NCc1cccc(c1C)F 11a_100132306986_100015343762 [0,1,0,0,0,2|1,0,0]=4 15060 B13R1.150 CC(=O)NCc1cccc(c1C)F 1626a_100132306986_100015343762 [0,1,0,0,0,2|1,0,0]=4 15061 B13R1.150 CC(=O)NCc1cccc(c1C)F 240690a_100132306986_100015343762 [0,1,0,0,0,2|1,0,0]=4 15062 B13R1.150 CC(=O)NCc1cccc(c1C)F 527a_100132306986_100103153847 [0,1,0,0,0,2|1,0,0]=4 15063 B13R1.150 CC(=O)NCc1cccc(c1Cl)C 11a_100025705714_100015343762 [0,1,0,0,0,2|0,0,0]=3 15064 B13R1.150 CC(=O)NCc1cccc(c1Cl)C 1626a_100025705714_100015343762 [0,1,0,0,0,2|0,0,0]=3 15065 B13R1.150 CC(=O)NCc1cccc(c1Cl)C 240690a_100025705714_100015343762 [0,1,0,0,0,2|0,0,0]=3 15066 B13R1.150 CC(=O)NCc1cccc(c1Cl)C 527a_100025705714_100103153847 [0,1,0,0,0,2|0,0,0]=3 15067 B13R1.150 CC(=O)NCc1cccc(c1Cl)Cl 11a_100011211633_100015343762 [0,1,0,0,0,2|1,0,0]=4 15068 B13R1.150 CC(=O)NCc1cccc(c1Cl)Cl 1626a_100011211633_100015343762 [0,1,0,0,0,2|1,0,0]=4 15069 B13R1.150 CC(=O)NCc1cccc(c1Cl)Cl 240690a_100011211633_100015343762 [0,1,0,0,0,2|1,0,0]=4 15070 B13R1.150 CC(=O)NCc1cccc(c1Cl)Cl 527a_100011211633_100103153847 [0,1,0,0,0,2|1,0,0]=4 15071 B13R1.150 CC(=O)NCc1cccc(c1Cl)F 11a_100012001614_100015343762 [0,1,0,0,0,2|1,0,0]=4 15072 B13R1.150 CC(=O)NCc1cccc(c1Cl)F 1626a_100012001614_100015343762 [0,1,0,0,0,2|1,0,0]=4 15073 B13R1.150 CC(=O)NCc1cccc(c1Cl)F 240690a_100012001614_100015343762 [0,1,0,0,0,2|1,0,0]=4 15074 B13R1.150 CC(=O)NCc1cccc(c1Cl)F 527a_100012001614_100103153847 [0,1,0,0,0,2|1,0,0]=4 15075 B13R1.150 CC(=O)NCc1cccc(c1F)Br 11a_100015189953_100015343762 [0,1,0,0,0,2|1,0,0]=4 15076 B13R1.150 CC(=O)NCc1cccc(c1F)Br 1626a_100015189953_100015343762 [0,1,0,0,0,2|1,0,0]=4 15077 B13R1.150 CC(=O)NCc1cccc(c1F)Br 240690a_100015189953_100015343762 [0,1,0,0,0,2|1,0,0]=4 15078 B13R1.150 CC(=O)NCc1cccc(c1F)Br 527a_100015189953_100103153847 [0,1,0,0,0,2|1,0,0]=4 15079 B13R1.150 CC(=O)NCc1cccc(c1F)C 11a_100012002060_100015343762 [0,1,0,0,0,2|0,0,0]=3 15080 B13R1.150 CC(=O)NCc1cccc(c1F)C 1626a_100012002060_100015343762 [0,1,0,0,0,2|0,0,0]=3 15081 B13R1.150 CC(=O)NCc1cccc(c1F)C 240690a_100012002060_100015343762 [0,1,0,0,0,2|0,0,0]=3 15082 B13R1.150 CC(=O)NCc1cccc(c1F)C 527a_100012002060_100103153847 [0,1,0,0,0,2|0,0,0]=3 15083 B13R1.150 CC(=O)NCc1cccc(c1F)Cl 11a_100000764326_100015343762 [0,1,0,0,0,2|1,0,0]=4 15084 B13R1.150 CC(=O)NCc1cccc(c1F)Cl 1626a_100000764326_100015343762 [0,1,0,0,0,2|1,0,0]=4 15085 B13R1.150 CC(=O)NCc1cccc(c1F)Cl 240690a_100000764326_100015343762 [0,1,0,0,0,2|1,0,0]=4 15086 B13R1.150 CC(=O)NCc1cccc(c1F)Cl 527a_100000764326_100103153847 [0,1,0,0,0,2|1,0,0]=4 15087 B13R1.150 CC(=O)NCc1cccc(c1F)F 11a_100011199105_100015343762 [0,1,0,0,0,2|1,0,0]=4 15088 B13R1.150 CC(=O)NCc1cccc(c1F)F 1626a_100011199105_100015343762 [0,1,0,0,0,2|1,0,0]=4 15089 B13R1.150 CC(=O)NCc1cccc(c1F)F 240690a_100011199105_100015343762 [0,1,0,0,0,2|1,0,0]=4 15090 B13R1.150 CC(=O)NCc1cccc(c1F)F 527a_100011199105_100103153847 [0,1,0,0,0,2|1,0,0]=4 15091 B13R1.150 CC(=O)NCc1cccc(c1F)O 240690a_100025773512_100015343762 [0,1,0,0,0,2|1,0,0]=4 15092 B13R1.150 CC(=O)NCc1cccc(c1F)O 527a_100025773512_100103153847 [0,1,0,0,0,2|1,0,0]=4 15093 B13R1.150 CC(=O)NCc1cccc(c1O)C 11a_100020639391_100015343762 [0,1,0,0,0,2|0,0,0]=3 15094 B13R1.150 CC(=O)NCc1cccc(c1O)C 240690a_100020639391_100015343762 [0,1,0,0,0,2|0,0,0]=3 15095 B13R1.150 CC(=O)NCc1cccc(c1O)C 527a_100020639391_100103153847 [0,1,0,0,0,2|0,0,0]=3 15096 B13R1.150 CC(=O)NNc1cccc(c1Br)Cl 22a_100102837889_100000070787 [0,1,0,0,0,2|1,0,0]=4 15097 B13R1.150 CC(=O)NNc1cccc(c1C)C 22a_100020604495_100000070787 [0,1,0,0,0,2|0,0,0]=3 15098 B13R1.150 CC(=O)NNc1cccc(c1C)Cl 22a_100000738547_100000070787 [0,1,0,0,0,2|1,0,0]=4 15099 B13R1.150 CC(=O)NNc1cccc(c1Cl)Cl 22a_100000009159_100000070787 [0,1,0,0,0,2|1,0,0]=4 15100 B13R1.150 CC(=O)NNc1cccc(c1Cl)F 22a_100000122369_100000070787 [0,1,0,0,0,2|1,0,0]=4 15101 B13R1.150 CC(=O)NNc1cccc(c1F)Cl 22a_100000746303_100000070787 [0,1,0,0,0,2|1,0,0]=4 15102 B13R1.150 CC(=O)NNc1cccc(c1F)F 22a_100020612164_100000070787 [0,1,0,0,0,2|1,0,0]=4 15103 B13R1.150 Cc1c(cccc1C=CC(=O)[13CH3])F 1458a_100102526135_200025704644 [0,1,0,0,0,2|1,0,0]=4 15104 B13R1.150 Cc1c(cccc1CCC(=O)[13CH3])F 1458a_100000069055_200025704644 [0,1,0,0,0,2|1,0,0]=4 15105 B13R1.150 Cc1cccc(c1Br)NCC(=O)N 34a_100000684715_100000187820 [0,1,0,0,0,2|1,0,0]=4 15106 B13R1.150 Cc1cccc(c1Br)NCC(=O)[O-] 34a_100000684715_100020667443 [0,1,0,0,0,2|1,0,0]=4 15107 B13R1.150 Cc1cccc(c1Br)OCC(=O)N 34a_100000686692_100000187820 [0,1,0,0,0,2|1,0,0]=4 15108 B13R1.150 Cc1cccc(c1Br)OCC(=O)N 7a_100000686692_100000187820 [0,1,0,0,0,2|1,0,0]=4 15109 B13R1.150 Cc1cccc(c1Br)OCC(=O)[O-] 34a_100000686692_100020667443 [0,1,0,0,0,2|1,0,0]=4 15110 B13R1.150 Cc1cccc(c1Br)SCC(=O)N 62a_100000747473_100012362457 [0,1,0,0,0,2|1,0,0]=4 15111 B13R1.150 Cc1cccc(c1Br)SCC(=O)N 62a_100012362457_100000747473 [0,1,0,0,0,2|1,0,0]=4 15112 B13R1.150 Cc1cccc(c1Br)SCC(=O)[O-] 62a_100012362457_100020667443 [0,1,0,0,0,2|1,0,0]=4 15113 B13R1.150 Cc1cccc(c1Br)SCC(=O)[O-] 62a_100020667443_100012362457 [0,1,0,0,0,2|1,0,0]=4 15114 B13R1.150 Cc1cccc(c1C)CCC(=O)[13CH3] 1458a_100011218151_200025704644 [0,1,0,0,0,2|0,0,0]=3 15115 B13R1.150 Cc1cccc(c1C)NCC(=O)N 2230a_100000210026_100000747473 [0,1,0,0,0,2|1,0,0]=4 15116 B13R1.150 Cc1cccc(c1C)NCC(=O)N 34a_100000210026_100000187820 [0,1,0,0,0,2|1,0,0]=4 15117 B13R1.150 Cc1cccc(c1C)NCC(=O)N 7a_100000210026_100000187820 [0,1,0,0,0,2|1,0,0]=4 15118 B13R1.150 Cc1cccc(c1C)NCC(=O)[O-] 34a_100000210026_100020667443 [0,1,0,0,0,2|1,0,0]=4 15119 B13R1.150 Cc1cccc(c1C)OCC(=O)N 34a_100000185855_100000187820 [0,1,0,0,0,2|1,0,0]=4 15120 B13R1.150 Cc1cccc(c1C)OCC(=O)N 7a_100000185855_100000187820 [0,1,0,0,0,2|1,0,0]=4 15121 B13R1.150 Cc1cccc(c1C)OCC(=O)[13CH3] 1458a_200000183798_200025704644 [0,1,0,0,0,2|0,0,0]=3 15122 B13R1.150 Cc1cccc(c1C)OCC(=O)[O-] 34a_100000185855_100020667443 [0,1,0,0,0,2|1,0,0]=4 15123 B13R1.150 Cc1cccc(c1C)SCC(=O)N 62a_100000747473_100011214922 [0,1,0,0,0,2|1,0,0]=4 15124 B13R1.150 Cc1cccc(c1C)SCC(=O)N 62a_100011214922_100000747473 [0,1,0,0,0,2|1,0,0]=4 15125 B13R1.150 Cc1cccc(c1C)SCC(=O)[O-] 62a_100011214922_100020667443 [0,1,0,0,0,2|1,0,0]=4 15126 B13R1.150 Cc1cccc(c1C)SCC(=O)[O-] 62a_100020667443_100011214922 [0,1,0,0,0,2|1,0,0]=4 15127 B13R1.150 Cc1cccc(c1Cl)NCC(=O)N 34a_100000765562_100000187820 [0,1,0,0,0,2|1,0,0]=4 15128 B13R1.150 Cc1cccc(c1Cl)NCC(=O)N 7a_100000765562_100000187820 [0,1,0,0,0,2|1,0,0]=4 15129 B13R1.150 Cc1cccc(c1Cl)NCC(=O)[O-] 34a_100000765562_100020667443 [0,1,0,0,0,2|1,0,0]=4 15130 B13R1.150 Cc1cccc(c1Cl)OCC(=O)N 34a_100000695629_100000187820 [0,1,0,0,0,2|1,0,0]=4 15131 B13R1.150 Cc1cccc(c1Cl)OCC(=O)N 7a_100000695629_100000187820 [0,1,0,0,0,2|1,0,0]=4 15132 B13R1.150 Cc1cccc(c1Cl)OCC(=O)[O-] 34a_100000695629_100020667443 [0,1,0,0,0,2|1,0,0]=4 15133 B13R1.150 Cc1cccc(c1Cl)SCC(=O)N 62a_100000747473_200012352035 [0,1,0,0,0,2|1,0,0]=4 15134 B13R1.150 Cc1cccc(c1Cl)SCC(=O)N 62a_200012352035_100000747473 [0,1,0,0,0,2|1,0,0]=4 15135 B13R1.150 Cc1cccc(c1Cl)SCC(=O)[O-] 62a_100020667443_200012352035 [0,1,0,0,0,2|1,0,0]=4 15136 B13R1.150 Cc1cccc(c1Cl)SCC(=O)[O-] 62a_200012352035_100020667443 [0,1,0,0,0,2|1,0,0]=4 15137 B13R1.150 Cc1cccc(c1F)NCC(=O)N 2230a_100000697159_100000747473 [0,1,0,0,0,2|1,0,0]=4 15138 B13R1.150 Cc1cccc(c1F)NCC(=O)N 34a_100000697159_100000187820 [0,1,0,0,0,2|1,0,0]=4 15139 B13R1.150 Cc1cccc(c1F)NCC(=O)N 7a_100000697159_100000187820 [0,1,0,0,0,2|1,0,0]=4 15140 B13R1.150 Cc1cccc(c1F)NCC(=O)[O-] 34a_100000697159_100020667443 [0,1,0,0,0,2|1,0,0]=4 15141 B13R1.150 Cc1cccc(c1F)OCC(=O)N 34a_100000751311_100000187820 [0,1,0,0,0,2|1,0,0]=4 15142 B13R1.150 Cc1cccc(c1F)OCC(=O)N 7a_100000751311_100000187820 [0,1,0,0,0,2|1,0,0]=4 15143 B13R1.150 Cc1cccc(c1F)OCC(=O)[O-] 34a_100000751311_100020667443 [0,1,0,0,0,2|1,0,0]=4 15144 B13R1.150 Cc1cccc(c1F)SCC(=O)N 62a_100000717567_100000747473 [0,1,0,0,0,2|1,0,0]=4 15145 B13R1.150 Cc1cccc(c1F)SCC(=O)N 62a_100000747473_100000717567 [0,1,0,0,0,2|1,0,0]=4 15146 B13R1.150 Cc1cccc(c1F)SCC(=O)[O-] 62a_100000717567_100020667443 [0,1,0,0,0,2|1,0,0]=4 15147 B13R1.150 Cc1cccc(c1F)SCC(=O)[O-] 62a_100020667443_100000717567 [0,1,0,0,0,2|1,0,0]=4 15148 B13R1.150 Cc1cccc(c1I)NCC(=O)N 34a_100000761888_100000187820 [0,1,0,0,0,2|1,0,0]=4 15149 B13R1.150 Cc1cccc(c1I)NCC(=O)[O-] 34a_100000761888_100020667443 [0,1,0,0,0,2|1,0,0]=4 15150 B13R1.150 Cc1cccc(c1I)OCC(=O)N 34a_100010083724_100000187820 [0,1,0,0,0,2|1,0,0]=4 15151 B13R1.150 Cc1cccc(c1I)OCC(=O)N 7a_100010083724_100000187820 [0,1,0,0,0,2|1,0,0]=4 15152 B13R1.150 Cc1cccc(c1I)OCC(=O)[O-] 34a_100010083724_100020667443 [0,1,0,0,0,2|1,0,0]=4 15153 B13R1.150 Cc1cccc(c1N)OCC(=O)N 34a_100000743429_100000187820 [0,1,0,0,0,2|1,0,0]=4 15154 B13R1.150 Cc1cccc(c1N)OCC(=O)N 7a_100000743429_100000187820 [0,1,0,0,0,2|1,0,0]=4 15155 B13R1.150 Cc1cccc(c1N)OCC(=O)[O-] 34a_100000743429_100020667443 [0,1,0,0,0,2|1,0,0]=4 15156 B13R1.150 Cc1cccc(c1N)SCC(=O)N 62a_100000747473_100011834072 [0,1,0,0,0,2|1,0,0]=4 15157 B13R1.150 Cc1cccc(c1N)SCC(=O)N 62a_100011834072_100000747473 [0,1,0,0,0,2|1,0,0]=4 15158 B13R1.150 Cc1cccc(c1N)SCC(=O)[O-] 62a_100011834072_100020667443 [0,1,0,0,0,2|1,0,0]=4 15159 B13R1.150 Cc1cccc(c1N)SCC(=O)[O-] 62a_100020667443_100011834072 [0,1,0,0,0,2|1,0,0]=4 15160 B13R1.150 Cc1cccc(c1O)NCC(=O)N 34a_100000756359_100000187820 [0,1,0,0,0,2|1,0,0]=4 15161 B13R1.150 Cc1cccc(c1O)NCC(=O)[O-] 34a_100000756359_100020667443 [0,1,0,0,0,2|1,0,0]=4 15162 B13R1.150 Cc1cccc(c1O)SCC(=O)N 62a_100000747473_100009817157 [0,1,0,0,0,2|1,0,0]=4 15163 B13R1.150 Cc1cccc(c1O)SCC(=O)N 62a_100009817157_100000747473 [0,1,0,0,0,2|1,0,0]=4 15164 B13R1.150 Cc1cccc(c1O)SCC(=O)[O-] 62a_100009817157_100020667443 [0,1,0,0,0,2|1,0,0]=4 15165 B13R1.150 Cc1cccc(c1O)SCC(=O)[O-] 62a_100020667443_100009817157 [0,1,0,0,0,2|1,0,0]=4 15166 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200025704644 [0,1,0,0,0,2|1,0,0]=4 15167 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200025704644 [0,1,0,0,0,2|1,0,0]=4 15168 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200025704644 [0,1,0,0,0,2|1,0,0]=4 15169 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200025704644 [0,1,0,0,0,2|1,0,0]=4 15170 B13R1.150 [13CH3]C(=O)CCc1cccc(c1Cl)Cl 1458a_100000739359_200025704644 [0,1,0,0,0,2|1,0,0]=4 15171 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)Br 1458a_100012349569_200025704644 [0,1,0,0,0,2|1,0,0]=4 15172 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)Cl 1458a_100012349026_200025704644 [0,1,0,0,0,2|1,0,0]=4 15173 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)F 1458a_100000748811_200025704644 [0,1,0,0,0,2|1,0,0]=4 15174 B13R1.150 [13CH3]C(=O)CCc1cccc(c1O)O 1458a_100009873524_200025704644 [0,1,0,0,0,2|1,0,0]=4 15175 B13R1.150 [13CH3]C(=O)COc1cccc(c1Cl)Cl 1458a_100000191259_200025704644 [0,1,0,0,0,2|1,0,0]=4 15176 B13R1.511 C=C(C)CNc1ccc(c(c1)C)Br 2230a_100000210723_100000748629 [0,1,0,0,0,2|1,0,0]=4 15177 B13R1.511 C=C(C)CNc1ccc(c(c1)C)Br 34a_100000210723_100000748629 [0,1,0,0,0,2|1,0,0]=4 15178 B13R1.511 C=C(C)CNc1ccc(c(c1)C)Br 7a_100000210723_100000748629 [0,1,0,0,0,2|1,0,0]=4 15179 B13R1.511 C=C(C)CNc1ccc(c(c1)C)C 2230a_100000724040_100000748629 [0,1,0,0,0,2|1,0,0]=4 15180 B13R1.511 C=C(C)CNc1ccc(c(c1)C)C 34a_100000724040_100000748629 [0,1,0,0,0,2|1,0,0]=4 15181 B13R1.511 C=C(C)CNc1ccc(c(c1)C)C 7a_100000724040_100000748629 [0,1,0,0,0,2|1,0,0]=4 15182 B13R1.511 C=C(C)CNc1ccc(c(c1)C)Cl 2230a_100000187808_100000748629 [0,1,0,0,0,2|1,0,0]=4 15183 B13R1.511 C=C(C)CNc1ccc(c(c1)C)Cl 34a_100000187808_100000748629 [0,1,0,0,0,2|1,0,0]=4 15184 B13R1.511 C=C(C)CNc1ccc(c(c1)C)Cl 7a_100000187808_100000748629 [0,1,0,0,0,2|1,0,0]=4 15185 B13R1.511 C=C(C)CNc1ccc(c(c1)C)F 2230a_100000750164_100000748629 [0,1,0,0,0,2|1,0,0]=4 15186 B13R1.511 C=C(C)CNc1ccc(c(c1)C)F 34a_100000750164_100000748629 [0,1,0,0,0,2|1,0,0]=4 15187 B13R1.511 C=C(C)CNc1ccc(c(c1)C)F 7a_100000750164_100000748629 [0,1,0,0,0,2|1,0,0]=4 15188 B13R1.511 C=C(C)CNc1ccc(c(c1)C)I 34a_100000198070_100000748629 [0,1,0,0,0,2|1,0,0]=4 15189 B13R1.511 C=C(C)CNc1ccc(c(c1)C)I 7a_100000198070_100000748629 [0,1,0,0,0,2|1,0,0]=4 15190 B13R1.511 C=C(C)CNc1ccc(c(c1)C)O 34a_100011218179_100000748629 [0,1,0,0,0,2|1,0,0]=4 15191 B13R1.511 C=C(C)CNc1ccc(c(c1)C)O 7a_100011218179_100000748629 [0,1,0,0,0,2|1,0,0]=4 15192 B13R1.511 C=C(C)COc1ccc(c(c1)C)Br 34a_100000690111_100000748629 [0,1,0,0,0,2|1,0,0]=4 15193 B13R1.511 C=C(C)COc1ccc(c(c1)C)Br 7a_100000690111_100000748629 [0,1,0,0,0,2|1,0,0]=4 15194 B13R1.511 C=C(C)COc1ccc(c(c1)C)C 34a_100000210932_100000748629 [0,1,0,0,0,2|1,0,0]=4 15195 B13R1.511 C=C(C)COc1ccc(c(c1)C)C 7a_100000210932_100000748629 [0,1,0,0,0,2|1,0,0]=4 15196 B13R1.511 C=C(C)COc1ccc(c(c1)C)Cl 34a_100000211092_100000748629 [0,1,0,0,0,2|1,0,0]=4 15197 B13R1.511 C=C(C)COc1ccc(c(c1)C)Cl 7a_100000211092_100000748629 [0,1,0,0,0,2|1,0,0]=4 15198 B13R1.511 C=C(C)COc1ccc(c(c1)C)F 34a_100000751312_100000748629 [0,1,0,0,0,2|1,0,0]=4 15199 B13R1.511 C=C(C)COc1ccc(c(c1)C)F 7a_100000751312_100000748629 [0,1,0,0,0,2|1,0,0]=4 15200 B13R1.511 C=C(C)COc1ccc(c(c1)C)I 34a_100000729255_100000748629 [0,1,0,0,0,2|1,0,0]=4 15201 B13R1.511 C=C(C)COc1ccc(c(c1)C)I 7a_100000729255_100000748629 [0,1,0,0,0,2|1,0,0]=4 15202 B13R1.511 C=C(C)COc1ccc(c(c1)C)N 34a_100000756630_100000748629 [0,1,0,0,0,2|1,0,0]=4 15203 B13R1.511 C=C(C)COc1ccc(c(c1)C)N 7a_100000756630_100000748629 [0,1,0,0,0,2|1,0,0]=4 15204 B13R1.511 C=C(C)CSc1ccc(c(c1)C)Br 62a_100000748629_100009813585 [0,1,0,0,0,2|1,0,0]=4 15205 B13R1.511 C=C(C)CSc1ccc(c(c1)C)Br 62a_100009813585_100000211660 [0,1,0,0,0,2|1,0,0]=4 15206 B13R1.511 C=C(C)CSc1ccc(c(c1)C)C 62a_100000748629_100011215607 [0,1,0,0,0,2|1,0,0]=4 15207 B13R1.511 C=C(C)CSc1ccc(c(c1)C)C 62a_100011215607_100000211660 [0,1,0,0,0,2|1,0,0]=4 15208 B13R1.511 C=C(C)CSc1ccc(c(c1)C)Cl 62a_100000049509_100000211660 [0,1,0,0,0,2|1,0,0]=4 15209 B13R1.511 C=C(C)CSc1ccc(c(c1)C)Cl 62a_100000748629_100000049509 [0,1,0,0,0,2|1,0,0]=4 15210 B13R1.511 C=C(C)CSc1ccc(c(c1)C)F 62a_100000748629_100011218330 [0,1,0,0,0,2|1,0,0]=4 15211 B13R1.511 C=C(C)CSc1ccc(c(c1)C)F 62a_100011218330_100000211660 [0,1,0,0,0,2|1,0,0]=4 15212 B13R1.511 C=C(C)CSc1ccc(c(c1)C)N 62a_100000211769_100000211660 [0,1,0,0,0,2|1,0,0]=4 15213 B13R1.511 C=C(C)CSc1ccc(c(c1)C)N 62a_100000748629_100000211769 [0,1,0,0,0,2|1,0,0]=4 15214 B13R1.511 C=C(C)CSc1ccc(c(c1)C)O 62a_100000748629_100000186361 [0,1,0,0,0,2|1,0,0]=4 15215 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200000210301 [0,1,0,0,0,2|1,0,0]=4 15216 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200000210301 [0,1,0,0,0,2|1,0,0]=4 15217 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200000210301 [0,1,0,0,0,2|1,0,0]=4 15218 B13R1.511 CC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_200000210301 [0,1,0,0,0,2|0,0,0]=3 15219 B13R1.511 CC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_200000210301 [0,1,0,0,0,2|0,0,0]=3 15220 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200000210301 [0,1,0,0,0,2|1,0,0]=4 15221 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200000210301 [0,1,0,0,0,2|1,0,0]=4 15222 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200000210301 [0,1,0,0,0,2|1,0,0]=4 15223 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200000210301 [0,1,0,0,0,2|1,0,0]=4 15224 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_200000210301 [0,1,0,0,0,2|1,0,0]=4 15225 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200000210301 [0,1,0,0,0,2|1,0,0]=4 15226 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200000210301 [0,1,0,0,0,2|1,0,0]=4 15227 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)C 1458a_100010220830_200000210301 [0,1,0,0,0,2|1,0,0]=4 15228 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200000210301 [0,1,0,0,0,2|1,0,0]=4 15229 B13R1.511 CC(=O)CCc1ccc(c(c1)C)C 1458a_100011338283_200000210301 [0,1,0,0,0,2|0,0,0]=3 15230 B13R1.511 CC(=O)CCc1ccc(c(c1)C)F 1458a_100011615030_200000210301 [0,1,0,0,0,2|0,0,0]=3 15231 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Br 1458a_100009812081_200000210301 [0,1,0,0,0,2|1,0,0]=4 15232 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000070787_100011713676 [0,1,0,0,0,2|1,0,0]=4 15233 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000735579_200000210301 [0,1,0,0,0,2|1,0,0]=4 15234 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)F 1458a_100000070787_100012361305 [0,1,0,0,0,2|1,0,0]=4 15235 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)F 1458a_100011218152_200000210301 [0,1,0,0,0,2|1,0,0]=4 15236 B13R1.511 CC(=O)CCc1ccc(c(c1)F)Br 1458a_100010146367_200000210301 [0,1,0,0,0,2|1,0,0]=4 15237 B13R1.511 CC(=O)CCc1ccc(c(c1)F)C 1458a_100011830284_200000210301 [0,1,0,0,0,2|1,0,0]=4 15238 B13R1.511 CC(=O)CCc1ccc(c(c1)F)Cl 1458a_100011518922_200000210301 [0,1,0,0,0,2|1,0,0]=4 15239 B13R1.511 CC(=O)CCc1ccc(c(c1)F)F 1458a_100000070787_100000690553 [0,1,0,0,0,2|1,0,0]=4 15240 B13R1.511 CC(=O)CCc1ccc(c(c1)F)F 1458a_100000737970_200000210301 [0,1,0,0,0,2|1,0,0]=4 15241 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [0,1,0,0,0,2|1,0,0]=4 15242 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [0,1,0,0,0,2|1,0,0]=4 15243 B13R1.511 CC(=O)COc1ccc(c(c1)C)C 1458a_100000182425_200000210301 [0,1,0,0,0,2|0,0,0]=3 15244 B13R1.511 CC(=O)COc1ccc(c(c1)C)Cl 1458a_100000182483_200000210301 [0,1,0,0,0,2|0,0,0]=3 15245 B13R1.511 CC(=O)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_200000210301 [0,1,0,0,0,2|1,0,0]=4 15246 B13R1.511 CC(=O)COc1ccc(c(c1)Cl)F 1458a_100000191248_200000210301 [0,1,0,0,0,2|1,0,0]=4 15247 B13R1.511 CC(=O)COc1ccc(c(c1)F)Cl 1458a_100012982646_200000210301 [0,1,0,0,0,2|1,0,0]=4 15248 B13R1.511 CC(=O)COc1ccc(c(c1)F)F 1458a_100000246063_200000210301 [0,1,0,0,0,2|1,0,0]=4 15249 B13R1.511 CC(=O)CSc1ccc(c(c1)F)F 1458a_100000204393_200000210301 [0,1,0,0,0,2|1,0,0]=4 15250 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Br 11a_100012351559_100015343762 [0,1,0,0,0,2|1,0,0]=4 15251 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Br 1626a_100012351559_100015343762 [0,1,0,0,0,2|1,0,0]=4 15252 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Br 240690a_100012351559_100015343762 [0,1,0,0,0,2|1,0,0]=4 15253 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Br 527a_100012351559_100103153847 [0,1,0,0,0,2|1,0,0]=4 15254 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Cl 11a_100012349490_100015343762 [0,1,0,0,0,2|1,0,0]=4 15255 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Cl 1626a_100012349490_100015343762 [0,1,0,0,0,2|1,0,0]=4 15256 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Cl 240690a_100012349490_100015343762 [0,1,0,0,0,2|1,0,0]=4 15257 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Cl 527a_100012349490_100103153847 [0,1,0,0,0,2|1,0,0]=4 15258 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)F 11a_100015193890_100015343762 [0,1,0,0,0,2|1,0,0]=4 15259 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)F 1626a_100015193890_100015343762 [0,1,0,0,0,2|1,0,0]=4 15260 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)F 240690a_100015193890_100015343762 [0,1,0,0,0,2|1,0,0]=4 15261 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)F 527a_100015193890_100103153847 [0,1,0,0,0,2|1,0,0]=4 15262 B13R1.511 CC(=O)NCc1ccc(c(c1)C)Br 11a_100015205234_100015343762 [0,1,0,0,0,2|0,0,0]=3 15263 B13R1.511 CC(=O)NCc1ccc(c(c1)C)Br 1626a_100015205234_100015343762 [0,1,0,0,0,2|0,0,0]=3 15264 B13R1.511 CC(=O)NCc1ccc(c(c1)C)Br 240690a_100015205234_100015343762 [0,1,0,0,0,2|0,0,0]=3 15265 B13R1.511 CC(=O)NCc1ccc(c(c1)C)Br 527a_100015205234_100103153847 [0,1,0,0,0,2|0,0,0]=3 15266 B13R1.511 CC(=O)NCc1ccc(c(c1)C)C 11a_100025706692_100015343762 [0,1,0,0,0,2|0,0,0]=3 15267 B13R1.511 CC(=O)NCc1ccc(c(c1)C)C 1626a_100025706692_100015343762 [0,1,0,0,0,2|0,0,0]=3 15268 B13R1.511 CC(=O)NCc1ccc(c(c1)C)C 240690a_100025706692_100015343762 [0,1,0,0,0,2|0,0,0]=3 15269 B13R1.511 CC(=O)NCc1ccc(c(c1)C)C 527a_100025706692_100103153847 [0,1,0,0,0,2|0,0,0]=3 15270 B13R1.511 CC(=O)NCc1ccc(c(c1)C)F 11a_100000239911_100015343762 [0,1,0,0,0,2|0,0,0]=3 15271 B13R1.511 CC(=O)NCc1ccc(c(c1)C)F 1626a_100000239911_100015343762 [0,1,0,0,0,2|0,0,0]=3 15272 B13R1.511 CC(=O)NCc1ccc(c(c1)C)F 240690a_100000239911_100015343762 [0,1,0,0,0,2|0,0,0]=3 15273 B13R1.511 CC(=O)NCc1ccc(c(c1)C)F 527a_100000239911_100103153847 [0,1,0,0,0,2|0,0,0]=3 15274 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Br 11a_100012362553_100015343762 [0,1,0,0,0,2|1,0,0]=4 15275 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Br 1626a_100012362553_100015343762 [0,1,0,0,0,2|1,0,0]=4 15276 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Br 240690a_100012362553_100015343762 [0,1,0,0,0,2|1,0,0]=4 15277 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Br 527a_100012362553_100103153847 [0,1,0,0,0,2|1,0,0]=4 15278 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)C 11a_102495364989_100015343762 [0,1,0,0,0,2|1,0,0]=4 15279 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)C 1626a_102495364989_100015343762 [0,1,0,0,0,2|1,0,0]=4 15280 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)C 240690a_102495364989_100015343762 [0,1,0,0,0,2|1,0,0]=4 15281 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)C 527a_102495364989_100103153847 [0,1,0,0,0,2|1,0,0]=4 15282 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Cl 11a_100000174881_100015343762 [0,1,0,0,0,2|1,0,0]=4 15283 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Cl 1626a_100000174881_100015343762 [0,1,0,0,0,2|1,0,0]=4 15284 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Cl 240690a_100000174881_100015343762 [0,1,0,0,0,2|1,0,0]=4 15285 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Cl 527a_100000174881_100103153847 [0,1,0,0,0,2|1,0,0]=4 15286 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)F 11a_100000749334_100015343762 [0,1,0,0,0,2|1,0,0]=4 15287 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)F 1626a_100000749334_100015343762 [0,1,0,0,0,2|1,0,0]=4 15288 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)F 240690a_100000749334_100015343762 [0,1,0,0,0,2|1,0,0]=4 15289 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)F 527a_100000749334_100103153847 [0,1,0,0,0,2|1,0,0]=4 15290 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Br 11a_100000755036_100015343762 [0,1,0,0,0,2|1,0,0]=4 15291 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Br 1626a_100000755036_100015343762 [0,1,0,0,0,2|1,0,0]=4 15292 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Br 240690a_100000755036_100015343762 [0,1,0,0,0,2|1,0,0]=4 15293 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Br 527a_100000755036_100103153847 [0,1,0,0,0,2|1,0,0]=4 15294 B13R1.511 CC(=O)NCc1ccc(c(c1)F)C 11a_100102708794_100015343762 [0,1,0,0,0,2|1,0,0]=4 15295 B13R1.511 CC(=O)NCc1ccc(c(c1)F)C 1626a_100102708794_100015343762 [0,1,0,0,0,2|1,0,0]=4 15296 B13R1.511 CC(=O)NCc1ccc(c(c1)F)C 240690a_100102708794_100015343762 [0,1,0,0,0,2|1,0,0]=4 15297 B13R1.511 CC(=O)NCc1ccc(c(c1)F)C 527a_100102708794_100103153847 [0,1,0,0,0,2|1,0,0]=4 15298 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Cl 11a_100011219866_100015343762 [0,1,0,0,0,2|1,0,0]=4 15299 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Cl 1626a_100011219866_100015343762 [0,1,0,0,0,2|1,0,0]=4 15300 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Cl 240690a_100011219866_100015343762 [0,1,0,0,0,2|1,0,0]=4 15301 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Cl 527a_100011219866_100103153847 [0,1,0,0,0,2|1,0,0]=4 15302 B13R1.511 CC(=O)NCc1ccc(c(c1)F)F 11a_100000737897_100015343762 [0,1,0,0,0,2|1,0,0]=4 15303 B13R1.511 CC(=O)NCc1ccc(c(c1)F)F 1626a_100000737897_100015343762 [0,1,0,0,0,2|1,0,0]=4 15304 B13R1.511 CC(=O)NCc1ccc(c(c1)F)F 240690a_100000737897_100015343762 [0,1,0,0,0,2|1,0,0]=4 15305 B13R1.511 CC(=O)NCc1ccc(c(c1)F)F 527a_100000737897_100103153847 [0,1,0,0,0,2|1,0,0]=4 15306 B13R1.511 CC(=O)NCc1ccc(c(c1)F)O 240690a_100000758358_100015343762 [0,1,0,0,0,2|1,0,0]=4 15307 B13R1.511 CC(=O)NCc1ccc(c(c1)F)O 527a_100000758358_100103153847 [0,1,0,0,0,2|1,0,0]=4 15308 B13R1.511 CC(=O)NCc1ccc(c(c1)O)Cl 240690a_100020636435_100015343762 [0,1,0,0,0,2|1,0,0]=4 15309 B13R1.511 CC(=O)NCc1ccc(c(c1)O)Cl 527a_100020636435_100103153847 [0,1,0,0,0,2|1,0,0]=4 15310 B13R1.511 CC(=O)NCc1ccc(c(c1)O)F 240690a_100160469508_100015343762 [0,1,0,0,0,2|1,0,0]=4 15311 B13R1.511 CC(=O)NCc1ccc(c(c1)O)F 527a_100160469508_100103153847 [0,1,0,0,0,2|1,0,0]=4 15312 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100015343762 [0,1,0,0,0,2|1,0,0]=4 15313 B13R1.511 CC(=O)NCc1ccc(c(n1)C)C 11a_202515432893_100015343762 [0,1,0,0,0,2|1,0,0]=4 15314 B13R1.511 CC(=O)NCc1ccc(c(n1)C)C 1626a_202515432893_100015343762 [0,1,0,0,0,2|1,0,0]=4 15315 B13R1.511 CC(=O)NCc1ccc(c(n1)C)C 240690a_202515432893_100015343762 [0,1,0,0,0,2|1,0,0]=4 15316 B13R1.511 CC(=O)NCc1ccc(c(n1)C)C 527a_202515432893_100103153847 [0,1,0,0,0,2|1,0,0]=4 15317 B13R1.511 CC(=O)NNc1cc(c(cn1)Br)C 22a_100012357568_100000070787 [0,1,0,0,0,2|1,0,0]=4 15318 B13R1.511 CC(=O)NNc1ccc(c(c1)Br)C 22a_100016991967_100000070787 [0,1,0,0,0,2|1,0,0]=4 15319 B13R1.511 CC(=O)NNc1ccc(c(c1)Br)F 22a_200025705588_100000070787 [0,1,0,0,0,2|1,0,0]=4 15320 B13R1.511 CC(=O)NNc1ccc(c(c1)C)Br 22a_100000745493_100000070787 [0,1,0,0,0,2|0,0,0]=3 15321 B13R1.511 CC(=O)NNc1ccc(c(c1)C)Cl 22a_100015233126_100000070787 [0,1,0,0,0,2|0,0,0]=3 15322 B13R1.511 CC(=O)NNc1ccc(c(c1)Cl)Br 22a_100102421838_100000070787 [0,1,0,0,0,2|1,0,0]=4 15323 B13R1.511 CC(=O)NNc1ccc(c(c1)Cl)C 22a_100000681537_100000070787 [0,1,0,0,0,2|1,0,0]=4 15324 B13R1.511 CC(=O)NNc1ccc(c(c1)Cl)Cl 22a_100000106602_100000070787 [0,1,0,0,0,2|1,0,0]=4 15325 B13R1.511 CC(=O)NNc1ccc(c(c1)Cl)F 22a_100000007618_100000070787 [0,1,0,0,0,2|1,0,0]=4 15326 B13R1.511 CC(=O)NNc1ccc(c(c1)F)Br 22a_100016992936_100000070787 [0,1,0,0,0,2|1,0,0]=4 15327 B13R1.511 CC(=O)NNc1ccc(c(c1)F)C 22a_100000689702_100000070787 [0,1,0,0,0,2|1,0,0]=4 15328 B13R1.511 CC(=O)NNc1ccc(c(c1)F)F 22a_100015184291_100000070787 [0,1,0,0,0,2|1,0,0]=4 15329 B13R1.511 CC(=O)NNc1ccc(c(n1)C)Cl 22a_100010724419_100000070787 [0,1,0,0,0,2|1,0,0]=4 15330 B13R1.511 Cc1cc(ccc1Br)NCC(=O)N 2230a_100000210723_100000747473 [0,1,0,0,0,2|1,0,0]=4 15331 B13R1.511 Cc1cc(ccc1Br)NCC(=O)N 34a_100000210723_100000187820 [0,1,0,0,0,2|1,0,0]=4 15332 B13R1.511 Cc1cc(ccc1Br)NCC(=O)N 7a_100000210723_100000187820 [0,1,0,0,0,2|1,0,0]=4 15333 B13R1.511 Cc1cc(ccc1Br)NCC(=O)[O-] 34a_100000210723_100020667443 [0,1,0,0,0,2|1,0,0]=4 15334 B13R1.511 Cc1cc(ccc1Br)OCC(=O)N 34a_100000690111_100000187820 [0,1,0,0,0,2|1,0,0]=4 15335 B13R1.511 Cc1cc(ccc1Br)OCC(=O)N 7a_100000690111_100000187820 [0,1,0,0,0,2|1,0,0]=4 15336 B13R1.511 Cc1cc(ccc1Br)OCC(=O)[O-] 34a_100000690111_100020667443 [0,1,0,0,0,2|1,0,0]=4 15337 B13R1.511 Cc1cc(ccc1Br)SCC(=O)N 62a_100000747473_100009813585 [0,1,0,0,0,2|1,0,0]=4 15338 B13R1.511 Cc1cc(ccc1Br)SCC(=O)N 62a_100009813585_100000747473 [0,1,0,0,0,2|1,0,0]=4 15339 B13R1.511 Cc1cc(ccc1Br)SCC(=O)[O-] 62a_100009813585_100020667443 [0,1,0,0,0,2|1,0,0]=4 15340 B13R1.511 Cc1cc(ccc1Br)SCC(=O)[O-] 62a_100020667443_100009813585 [0,1,0,0,0,2|1,0,0]=4 15341 B13R1.511 Cc1cc(ccc1Cl)NCC(=O)N 2230a_100000187808_100000747473 [0,1,0,0,0,2|1,0,0]=4 15342 B13R1.511 Cc1cc(ccc1Cl)NCC(=O)N 34a_100000187808_100000187820 [0,1,0,0,0,2|1,0,0]=4 15343 B13R1.511 Cc1cc(ccc1Cl)NCC(=O)N 7a_100000187808_100000187820 [0,1,0,0,0,2|1,0,0]=4 15344 B13R1.511 Cc1cc(ccc1Cl)NCC(=O)[O-] 34a_100000187808_100020667443 [0,1,0,0,0,2|1,0,0]=4 15345 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)N 34a_100000211092_100000187820 [0,1,0,0,0,2|1,0,0]=4 15346 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)N 7a_100000211092_100000187820 [0,1,0,0,0,2|1,0,0]=4 15347 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)[13CH3] 1458a_100000182483_200025704644 [0,1,0,0,0,2|0,0,0]=3 15348 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)[O-] 34a_100000211092_100020667443 [0,1,0,0,0,2|1,0,0]=4 15349 B13R1.511 Cc1cc(ccc1Cl)SCC(=O)N 62a_100000049509_100000747473 [0,1,0,0,0,2|1,0,0]=4 15350 B13R1.511 Cc1cc(ccc1Cl)SCC(=O)N 62a_100000747473_100000049509 [0,1,0,0,0,2|1,0,0]=4 15351 B13R1.511 Cc1cc(ccc1Cl)SCC(=O)[O-] 62a_100000049509_100020667443 [0,1,0,0,0,2|1,0,0]=4 15352 B13R1.511 Cc1cc(ccc1Cl)SCC(=O)[O-] 62a_100020667443_100000049509 [0,1,0,0,0,2|1,0,0]=4 15353 B13R1.511 Cc1cc(ccc1F)C=CC(=O)[13CH3] 1458a_100016261966_200025704644 [0,1,0,0,0,2|0,0,0]=3 15354 B13R1.511 Cc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100011615030_200025704644 [0,1,0,0,0,2|0,0,0]=3 15355 B13R1.511 Cc1cc(ccc1F)NCC(=O)N 2230a_100000750164_100000747473 [0,1,0,0,0,2|1,0,0]=4 15356 B13R1.511 Cc1cc(ccc1F)NCC(=O)N 34a_100000750164_100000187820 [0,1,0,0,0,2|1,0,0]=4 15357 B13R1.511 Cc1cc(ccc1F)NCC(=O)N 7a_100000750164_100000187820 [0,1,0,0,0,2|1,0,0]=4 15358 B13R1.511 Cc1cc(ccc1F)NCC(=O)[O-] 34a_100000750164_100020667443 [0,1,0,0,0,2|1,0,0]=4 15359 B13R1.511 Cc1cc(ccc1F)OCC(=O)N 34a_100000751312_100000187820 [0,1,0,0,0,2|1,0,0]=4 15360 B13R1.511 Cc1cc(ccc1F)OCC(=O)N 7a_100000751312_100000187820 [0,1,0,0,0,2|1,0,0]=4 15361 B13R1.511 Cc1cc(ccc1F)OCC(=O)[O-] 34a_100000751312_100020667443 [0,1,0,0,0,2|1,0,0]=4 15362 B13R1.511 Cc1cc(ccc1F)SCC(=O)N 62a_100000747473_100011218330 [0,1,0,0,0,2|1,0,0]=4 15363 B13R1.511 Cc1cc(ccc1F)SCC(=O)N 62a_100011218330_100000747473 [0,1,0,0,0,2|1,0,0]=4 15364 B13R1.511 Cc1cc(ccc1F)SCC(=O)[O-] 62a_100011218330_100020667443 [0,1,0,0,0,2|1,0,0]=4 15365 B13R1.511 Cc1cc(ccc1F)SCC(=O)[O-] 62a_100020667443_100011218330 [0,1,0,0,0,2|1,0,0]=4 15366 B13R1.511 Cc1cc(ccc1I)NCC(=O)N 34a_100000198070_100000187820 [0,1,0,0,0,2|1,0,0]=4 15367 B13R1.511 Cc1cc(ccc1I)NCC(=O)N 7a_100000198070_100000187820 [0,1,0,0,0,2|1,0,0]=4 15368 B13R1.511 Cc1cc(ccc1I)NCC(=O)[O-] 34a_100000198070_100020667443 [0,1,0,0,0,2|1,0,0]=4 15369 B13R1.511 Cc1cc(ccc1I)OCC(=O)N 34a_100000729255_100000187820 [0,1,0,0,0,2|1,0,0]=4 15370 B13R1.511 Cc1cc(ccc1I)OCC(=O)N 7a_100000729255_100000187820 [0,1,0,0,0,2|1,0,0]=4 15371 B13R1.511 Cc1cc(ccc1I)OCC(=O)[O-] 34a_100000729255_100020667443 [0,1,0,0,0,2|1,0,0]=4 15372 B13R1.511 Cc1cc(ccc1N)OCC(=O)N 34a_100000756630_100000187820 [0,1,0,0,0,2|1,0,0]=4 15373 B13R1.511 Cc1cc(ccc1N)OCC(=O)N 7a_100000756630_100000187820 [0,1,0,0,0,2|1,0,0]=4 15374 B13R1.511 Cc1cc(ccc1N)OCC(=O)[O-] 34a_100000756630_100020667443 [0,1,0,0,0,2|1,0,0]=4 15375 B13R1.511 Cc1cc(ccc1N)SCC(=O)N 62a_100000211769_100000747473 [0,1,0,0,0,2|1,0,0]=4 15376 B13R1.511 Cc1cc(ccc1N)SCC(=O)N 62a_100000747473_100000211769 [0,1,0,0,0,2|1,0,0]=4 15377 B13R1.511 Cc1cc(ccc1N)SCC(=O)[O-] 62a_100000211769_100020667443 [0,1,0,0,0,2|1,0,0]=4 15378 B13R1.511 Cc1cc(ccc1N)SCC(=O)[O-] 62a_100020667443_100000211769 [0,1,0,0,0,2|1,0,0]=4 15379 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 34a_100011218179_100000187820 [0,1,0,0,0,2|1,0,0]=4 15380 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 7a_100011218179_100000187820 [0,1,0,0,0,2|1,0,0]=4 15381 B13R1.511 Cc1cc(ccc1O)NCC(=O)[O-] 34a_100011218179_100020667443 [0,1,0,0,0,2|1,0,0]=4 15382 B13R1.511 Cc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000186361 [0,1,0,0,0,2|1,0,0]=4 15383 B13R1.511 Cc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000186361 [0,1,0,0,0,2|1,0,0]=4 15384 B13R1.511 Cc1ccc(cc1Br)CCC(=O)[13CH3] 1458a_100010220830_200025704644 [0,1,0,0,0,2|1,0,0]=4 15385 B13R1.511 Cc1ccc(cc1C)C=CC(=O)[13CH3] 1458a_100011338269_200025704644 [0,1,0,0,0,2|0,0,0]=3 15386 B13R1.511 Cc1ccc(cc1C)CCC(=O)[13CH3] 1458a_100011338283_200025704644 [0,1,0,0,0,2|0,0,0]=3 15387 B13R1.511 Cc1ccc(cc1C)NCC(=O)N 2230a_100000724040_100000747473 [0,1,0,0,0,2|1,0,0]=4 15388 B13R1.511 Cc1ccc(cc1C)NCC(=O)N 34a_100000724040_100000187820 [0,1,0,0,0,2|1,0,0]=4 15389 B13R1.511 Cc1ccc(cc1C)NCC(=O)N 7a_100000724040_100000187820 [0,1,0,0,0,2|1,0,0]=4 15390 B13R1.511 Cc1ccc(cc1C)NCC(=O)[O-] 34a_100000724040_100020667443 [0,1,0,0,0,2|1,0,0]=4 15391 B13R1.511 Cc1ccc(cc1C)OCC(=O)N 34a_100000210932_100000187820 [0,1,0,0,0,2|1,0,0]=4 15392 B13R1.511 Cc1ccc(cc1C)OCC(=O)N 7a_100000210932_100000187820 [0,1,0,0,0,2|1,0,0]=4 15393 B13R1.511 Cc1ccc(cc1C)OCC(=O)[13CH3] 1458a_100000182425_200025704644 [0,1,0,0,0,2|0,0,0]=3 15394 B13R1.511 Cc1ccc(cc1C)OCC(=O)[O-] 34a_100000210932_100020667443 [0,1,0,0,0,2|1,0,0]=4 15395 B13R1.511 Cc1ccc(cc1C)SCC(=O)N 62a_100000747473_100011215607 [0,1,0,0,0,2|1,0,0]=4 15396 B13R1.511 Cc1ccc(cc1C)SCC(=O)N 62a_100011215607_100000747473 [0,1,0,0,0,2|1,0,0]=4 15397 B13R1.511 Cc1ccc(cc1C)SCC(=O)[O-] 62a_100011215607_100020667443 [0,1,0,0,0,2|1,0,0]=4 15398 B13R1.511 Cc1ccc(cc1C)SCC(=O)[O-] 62a_100020667443_100011215607 [0,1,0,0,0,2|1,0,0]=4 15399 B13R1.511 Cc1ccc(cc1F)C=CC(=O)[13CH3] 1458a_100102526211_200025704644 [0,1,0,0,0,2|1,0,0]=4 15400 B13R1.511 Cc1ccc(cc1F)CCC(=O)[13CH3] 1458a_100011830284_200025704644 [0,1,0,0,0,2|1,0,0]=4 15401 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200025704644 [0,1,0,0,0,2|1,0,0]=4 15402 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200025704644 [0,1,0,0,0,2|1,0,0]=4 15403 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200025704644 [0,1,0,0,0,2|1,0,0]=4 15404 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200025704644 [0,1,0,0,0,2|1,0,0]=4 15405 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200025704644 [0,1,0,0,0,2|1,0,0]=4 15406 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200025704644 [0,1,0,0,0,2|1,0,0]=4 15407 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200025704644 [0,1,0,0,0,2|1,0,0]=4 15408 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200025704644 [0,1,0,0,0,2|1,0,0]=4 15409 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200025704644 [0,1,0,0,0,2|1,0,0]=4 15410 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200025704644 [0,1,0,0,0,2|1,0,0]=4 15411 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)Br 1458a_100009812081_200025704644 [0,1,0,0,0,2|1,0,0]=4 15412 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000735579_200025704644 [0,1,0,0,0,2|1,0,0]=4 15413 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)F 1458a_100011218152_200025704644 [0,1,0,0,0,2|1,0,0]=4 15414 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)Br 1458a_100010146367_200025704644 [0,1,0,0,0,2|1,0,0]=4 15415 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)Cl 1458a_100011518922_200025704644 [0,1,0,0,0,2|1,0,0]=4 15416 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)F 1458a_100000737970_200025704644 [0,1,0,0,0,2|1,0,0]=4 15417 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [0,1,0,0,0,2|1,0,0]=4 15418 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_200025704644 [0,1,0,0,0,2|1,0,0]=4 15419 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)Cl)F 1458a_100000191248_200025704644 [0,1,0,0,0,2|1,0,0]=4 15420 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)F)Cl 1458a_100012982646_200025704644 [0,1,0,0,0,2|1,0,0]=4 15421 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)F)F 1458a_100000246063_200025704644 [0,1,0,0,0,2|1,0,0]=4 15422 B13R1.511 [13CH3]C(=O)CSc1ccc(c(c1)F)F 1458a_100000204393_200025704644 [0,1,0,0,0,2|1,0,0]=4 15423 B13R1.643 C=C(C)CNc1cccc(c1)CC 2230a_100000211250_100000748629 [0,1,0,0,0,2|1,0,0]=4 15424 B13R1.643 C=C(C)CNc1cccc(c1)CC 34a_100000211250_100000748629 [0,1,0,0,0,2|1,0,0]=4 15425 B13R1.643 C=C(C)CNc1cccc(c1)CC 7a_100000211250_100000748629 [0,1,0,0,0,2|1,0,0]=4 15426 B13R1.643 C=C(C)CNc1cccc(c1)CF 2230a_100000126320_100000748629 [0,1,0,0,0,2|1,0,0]=4 15427 B13R1.643 C=C(C)CNc1cccc(c1)CF 34a_100000126320_100000748629 [0,1,0,0,0,2|1,0,0]=4 15428 B13R1.643 C=C(C)CNc1cccc(c1)CF 7a_100000126320_100000748629 [0,1,0,0,0,2|1,0,0]=4 15429 B13R1.643 C=C(C)CNc1cccc(c1)CO 2230a_100000211919_100000748629 [0,1,0,0,0,2|1,0,0]=4 15430 B13R1.643 C=C(C)CNc1cccc(c1)CO 34a_100000211919_100000748629 [0,1,0,0,0,2|1,0,0]=4 15431 B13R1.643 C=C(C)CNc1cccc(c1)OC 34a_100000210024_100000748629 [0,1,0,0,0,2|1,0,0]=4 15432 B13R1.643 C=C(C)CNc1cccc(c1)SC 2230a_100000210049_100000748629 [0,1,0,0,0,2|1,0,0]=4 15433 B13R1.643 C=C(C)CNc1cccc(c1)SC 34a_100000210049_100000748629 [0,1,0,0,0,2|1,0,0]=4 15434 B13R1.643 C=C(C)COc1cccc(c1)CBr 34a_100011660834_100000748629 [0,1,0,0,0,2|1,0,0]=4 15435 B13R1.643 C=C(C)COc1cccc(c1)CBr 7a_100011660834_100000748629 [0,1,0,0,0,2|1,0,0]=4 15436 B13R1.643 C=C(C)COc1cccc(c1)CC 34a_100000211550_100000748629 [0,1,0,0,0,2|1,0,0]=4 15437 B13R1.643 C=C(C)COc1cccc(c1)CC 7a_100000211550_100000748629 [0,1,0,0,0,2|1,0,0]=4 15438 B13R1.643 C=C(C)COc1cccc(c1)CCl 34a_100000084143_100000748629 [0,1,0,0,0,2|1,0,0]=4 15439 B13R1.643 C=C(C)COc1cccc(c1)CCl 7a_100000084143_100000748629 [0,1,0,0,0,2|1,0,0]=4 15440 B13R1.643 C=C(C)COc1cccc(c1)CN 34a_100000743036_100000748629 [0,1,0,0,0,2|1,0,0]=4 15441 B13R1.643 C=C(C)COc1cccc(c1)CO 34a_100011214949_100000748629 [0,1,0,0,0,2|1,0,0]=4 15442 B13R1.643 C=C(C)COc1cccc(c1)CO 7a_100011214949_100000748629 [0,1,0,0,0,2|1,0,0]=4 15443 B13R1.643 C=C(C)COc1cccc(c1)NC 2230a_100000243820_200000210301 [0,1,0,0,0,2|1,0,0]=4 15444 B13R1.643 C=C(C)COc1cccc(c1)NC 34a_100000243820_200000210301 [0,1,0,0,0,2|1,0,0]=4 15445 B13R1.643 C=C(C)COc1cccc(c1)NC 34a_100000756613_100000748629 [0,1,0,0,0,2|1,0,0]=4 15446 B13R1.643 C=C(C)COc1cccc(c1)NC 7a_100000243820_200000210301 [0,1,0,0,0,2|1,0,0]=4 15447 B13R1.643 C=C(C)COc1cccc(c1)NC 7a_100000756613_100000748629 [0,1,0,0,0,2|1,0,0]=4 15448 B13R1.643 C=C(C)COc1cccc(c1)N[13CH3] 2230a_100000243820_200025704644 [0,1,0,0,0,2|1,0,0]=4 15449 B13R1.643 C=C(C)COc1cccc(c1)N[13CH3] 34a_100000243820_200025704644 [0,1,0,0,0,2|1,0,0]=4 15450 B13R1.643 C=C(C)COc1cccc(c1)N[13CH3] 7a_100000243820_200025704644 [0,1,0,0,0,2|1,0,0]=4 15451 B13R1.643 C=C(C)COc1cccc(c1)OC 34a_100000211255_100000748629 [0,1,0,0,0,2|1,0,0]=4 15452 B13R1.643 C=C(C)COc1cccc(c1)OC 7a_100000211255_100000748629 [0,1,0,0,0,2|1,0,0]=4 15453 B13R1.643 C=C(C)COc1cccc(c1)SC 34a_100011265683_100000748629 [0,1,0,0,0,2|1,0,0]=4 15454 B13R1.643 C=C(C)COc1cccc(c1)SC 7a_100011265683_100000748629 [0,1,0,0,0,2|1,0,0]=4 15455 B13R1.643 C=C(C)CSc1cccc(c1)CC 62a_100000748629_100011263222 [0,1,0,0,0,2|1,0,0]=4 15456 B13R1.643 C=C(C)CSc1cccc(c1)CC 62a_100011263222_100000211660 [0,1,0,0,0,2|1,0,0]=4 15457 B13R1.643 C=C(C)CSc1cccc(c1)CF 62a_100000748629_100010878472 [0,1,0,0,0,2|1,0,0]=4 15458 B13R1.643 C=C(C)CSc1cccc(c1)CF 62a_100010878472_100000211660 [0,1,0,0,0,2|1,0,0]=4 15459 B13R1.643 C=C(C)CSc1cccc(c1)CN 62a_100000106179_100000211660 [0,1,0,0,0,2|1,0,0]=4 15460 B13R1.643 C=C(C)CSc1cccc(c1)CN 62a_100000748629_100000106179 [0,1,0,0,0,2|1,0,0]=4 15461 B13R1.643 C=C(C)CSc1cccc(c1)CO 62a_100000687537_100000211660 [0,1,0,0,0,2|1,0,0]=4 15462 B13R1.643 C=C(C)CSc1cccc(c1)CO 62a_100000748629_100000687537 [0,1,0,0,0,2|1,0,0]=4 15463 B13R1.643 C=C(C)CSc1cccc(c1)NC 62a_100000219648_100000211660 [0,1,0,0,0,2|1,0,0]=4 15464 B13R1.643 C=C(C)CSc1cccc(c1)NC 62a_100000748629_100000219648 [0,1,0,0,0,2|1,0,0]=4 15465 B13R1.643 C=C(C)CSc1cccc(c1)OC 62a_100000748629_100000170001 [0,1,0,0,0,2|1,0,0]=4 15466 B13R1.643 C=C(C)CSc1cccc(c1)SC 62a_100000748629_100011215954 [0,1,0,0,0,2|1,0,0]=4 15467 B13R1.643 C=C(C)CSc1cccc(c1)SC 62a_100011215954_100000211660 [0,1,0,0,0,2|1,0,0]=4 15468 B13R1.643 C=Cc1cccc(c1)/C=C/C(=O)C 271570a_100011290941_200016266566 [0,1,0,0,0,2|0,0,1]=4 15469 B13R1.643 C=Cc1cccc(c1)CCC(=O)C 271570a_100011290941_100011279149 [0,1,0,0,0,2|0,0,1]=4 15470 B13R1.643 C=Cc1cccc(c1)CNC(=O)C 271570a_100011290941_100000766983 [0,1,0,0,0,2|0,0,1]=4 15471 B13R1.643 CC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200016266566_200025704644 [0,1,0,0,0,2|0,0,0]=3 15472 B13R1.643 CC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200025704644_200016266566 [0,1,0,0,0,2|0,0,0]=3 15473 B13R1.643 CC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_200000210301 [0,1,0,0,0,2|0,0,1]=4 15474 B13R1.643 CC(=O)CCc1cccc(c1)C#N 1458a_100011998624_200000210301 [0,1,0,0,0,2|0,0,1]=4 15475 B13R1.643 CC(=O)CCc1cccc(c1)S[13CH3] 62a_100011279149_200025704644 [0,1,0,0,0,2|0,0,0]=3 15476 B13R1.643 CC(=O)CCc1cccc(c1)S[13CH3] 62a_200025704644_100011279149 [0,1,0,0,0,2|0,0,0]=3 15477 B13R1.643 CC(=O)COc1cccc(c1)C#N 1458a_100000230692_200000210301 [0,1,0,0,0,2|0,0,1]=4 15478 B13R1.643 CC(=O)NCc1cccc(c1)C#N 11a_100000755147_100015343762 [0,1,0,0,0,2|0,0,1]=4 15479 B13R1.643 CC(=O)NCc1cccc(c1)C#N 1626a_100000755147_100015343762 [0,1,0,0,0,2|0,0,1]=4 15480 B13R1.643 CC(=O)NCc1cccc(c1)C#N 240690a_100000755147_100015343762 [0,1,0,0,0,2|0,0,1]=4 15481 B13R1.643 CC(=O)NCc1cccc(c1)C#N 527a_100000755147_100103153847 [0,1,0,0,0,2|0,0,1]=4 15482 B13R1.643 CC(=O)NCc1cccc(c1)CO 240690a_100011269909_100015343762 [0,1,0,0,0,2|0,0,0]=3 15483 B13R1.643 CC(=O)NCc1cccc(c1)CO 527a_100011269909_100103153847 [0,1,0,0,0,2|0,0,0]=3 15484 B13R1.643 CC(=O)NCc1cccc(c1)S[13CH3] 62a_100000766983_200025704644 [0,1,0,0,0,2|0,0,0]=3 15485 B13R1.643 CC(=O)NCc1cccc(c1)S[13CH3] 62a_200025704644_100000766983 [0,1,0,0,0,2|0,0,0]=3 15486 B13R1.643 CC(=O)NCc1ccnc(c1)CO 240690a_100020589248_100015343762 [0,1,0,0,0,2|1,0,0]=4 15487 B13R1.643 CC(=O)NCc1ccnc(c1)CO 527a_100020589248_100103153847 [0,1,0,0,0,2|1,0,0]=4 15488 B13R1.643 CC(=O)NNc1cccc(c1)C#N 22a_100016987777_100000070787 [0,1,0,0,0,2|0,0,1]=4 15489 B13R1.643 CC(=O)NNc1cccc(n1)S[13CH3] 62a_200000079166_200025704644 [0,1,0,0,0,2|1,0,0]=4 15490 B13R1.643 CC(=O)NNc1cccc(n1)S[13CH3] 62a_200025704644_200000079166 [0,1,0,0,0,2|1,0,0]=4 15491 B13R1.643 CCc1cccc(c1)NCC(=O)N 2230a_100000211250_100000747473 [0,1,0,0,0,2|1,0,0]=4 15492 B13R1.643 CCc1cccc(c1)NCC(=O)N 34a_100000211250_100000187820 [0,1,0,0,0,2|1,0,0]=4 15493 B13R1.643 CCc1cccc(c1)NCC(=O)N 7a_100000211250_100000187820 [0,1,0,0,0,2|1,0,0]=4 15494 B13R1.643 CCc1cccc(c1)NCC(=O)[O-] 34a_100000211250_100020667443 [0,1,0,0,0,2|1,0,0]=4 15495 B13R1.643 CCc1cccc(c1)OCC(=O)N 34a_100000211550_100000187820 [0,1,0,0,0,2|1,0,0]=4 15496 B13R1.643 CCc1cccc(c1)OCC(=O)N 7a_100000211550_100000187820 [0,1,0,0,0,2|1,0,0]=4 15497 B13R1.643 CCc1cccc(c1)OCC(=O)[O-] 34a_100000211550_100020667443 [0,1,0,0,0,2|1,0,0]=4 15498 B13R1.643 CCc1cccc(c1)SCC(=O)N 62a_100000747473_100011263222 [0,1,0,0,0,2|1,0,0]=4 15499 B13R1.643 CCc1cccc(c1)SCC(=O)N 62a_100011263222_100000747473 [0,1,0,0,0,2|1,0,0]=4 15500 B13R1.643 CCc1cccc(c1)SCC(=O)[O-] 62a_100011263222_100020667443 [0,1,0,0,0,2|1,0,0]=4 15501 B13R1.643 CCc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011263222 [0,1,0,0,0,2|1,0,0]=4 15502 B13R1.643 CNc1cccc(c1)OCC(=O)N 34a_100000756613_100000187820 [0,1,0,0,0,2|1,0,0]=4 15503 B13R1.643 CNc1cccc(c1)OCC(=O)N 7a_100000756613_100000187820 [0,1,0,0,0,2|1,0,0]=4 15504 B13R1.643 CNc1cccc(c1)OCC(=O)[O-] 34a_100000756613_100020667443 [0,1,0,0,0,2|1,0,0]=4 15505 B13R1.643 CNc1cccc(c1)SCC(=O)N 62a_100000219648_100000747473 [0,1,0,0,0,2|1,0,0]=4 15506 B13R1.643 CNc1cccc(c1)SCC(=O)N 62a_100000747473_100000219648 [0,1,0,0,0,2|1,0,0]=4 15507 B13R1.643 CNc1cccc(c1)SCC(=O)[O-] 62a_100000219648_100020667443 [0,1,0,0,0,2|1,0,0]=4 15508 B13R1.643 CNc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000219648 [0,1,0,0,0,2|1,0,0]=4 15509 B13R1.643 COc1cc(ccn1)CNC(=O)C 11a_100102525109_100015343762 [0,1,0,0,0,2|1,0,0]=4 15510 B13R1.643 COc1cc(ccn1)CNC(=O)C 1626a_100102525109_100015343762 [0,1,0,0,0,2|1,0,0]=4 15511 B13R1.643 COc1cc(ccn1)CNC(=O)C 240690a_100102525109_100015343762 [0,1,0,0,0,2|1,0,0]=4 15512 B13R1.643 COc1cc(ccn1)CNC(=O)C 527a_100102525109_100103153847 [0,1,0,0,0,2|1,0,0]=4 15513 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000070787_100011713679 [0,1,0,0,0,2|0,0,0]=3 15514 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000234931_200000210301 [0,1,0,0,0,2|0,0,0]=3 15515 B13R1.643 COc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234931_200025704644 [0,1,0,0,0,2|0,0,0]=3 15516 B13R1.643 COc1cccc(c1)CNC(=O)C 11a_100000174954_100015343762 [0,1,0,0,0,2|0,0,0]=3 15517 B13R1.643 COc1cccc(c1)CNC(=O)C 1626a_100000174954_100015343762 [0,1,0,0,0,2|0,0,0]=3 15518 B13R1.643 COc1cccc(c1)CNC(=O)C 240690a_100000174954_100015343762 [0,1,0,0,0,2|0,0,0]=3 15519 B13R1.643 COc1cccc(c1)CNC(=O)C 527a_100000174954_100103153847 [0,1,0,0,0,2|0,0,0]=3 15520 B13R1.643 COc1cccc(c1)NCC(=O)N 34a_100000210024_100000187820 [0,1,0,0,0,2|1,0,0]=4 15521 B13R1.643 COc1cccc(c1)NCC(=O)[O-] 34a_100000210024_100020667443 [0,1,0,0,0,2|1,0,0]=4 15522 B13R1.643 COc1cccc(c1)NNC(=O)C 22a_100000722927_100000070787 [0,1,0,0,0,2|0,0,0]=3 15523 B13R1.643 COc1cccc(c1)OCC(=O)C 1458a_100000182123_200000210301 [0,1,0,0,0,2|0,0,0]=3 15524 B13R1.643 COc1cccc(c1)OCC(=O)N 34a_100000211255_100000187820 [0,1,0,0,0,2|1,0,0]=4 15525 B13R1.643 COc1cccc(c1)OCC(=O)N 7a_100000211255_100000187820 [0,1,0,0,0,2|1,0,0]=4 15526 B13R1.643 COc1cccc(c1)OCC(=O)[13CH3] 1458a_100000182123_200025704644 [0,1,0,0,0,2|0,0,0]=3 15527 B13R1.643 COc1cccc(c1)OCC(=O)[O-] 34a_100000211255_100020667443 [0,1,0,0,0,2|1,0,0]=4 15528 B13R1.643 COc1cccc(c1)SCC(=O)C 1458a_100000741315_200000210301 [0,1,0,0,0,2|0,0,0]=3 15529 B13R1.643 COc1cccc(c1)SCC(=O)N 62a_100000747473_100000170001 [0,1,0,0,0,2|1,0,0]=4 15530 B13R1.643 COc1cccc(c1)SCC(=O)[13CH3] 1458a_100000741315_200025704644 [0,1,0,0,0,2|0,0,0]=3 15531 B13R1.643 COc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000170001 [0,1,0,0,0,2|1,0,0]=4 15532 B13R1.643 COc1cccc(n1)CNC(=O)C 11a_100000746380_100015343762 [0,1,0,0,0,2|1,0,0]=4 15533 B13R1.643 COc1cccc(n1)CNC(=O)C 1626a_100000746380_100015343762 [0,1,0,0,0,2|1,0,0]=4 15534 B13R1.643 COc1cccc(n1)CNC(=O)C 240690a_100000746380_100015343762 [0,1,0,0,0,2|1,0,0]=4 15535 B13R1.643 COc1cccc(n1)CNC(=O)C 527a_100000746380_100103153847 [0,1,0,0,0,2|1,0,0]=4 15536 B13R1.643 COc1cccc(n1)NNC(=O)C 22a_100000698482_100000070787 [0,1,0,0,0,2|1,0,0]=4 15537 B13R1.643 COc1ccnc(c1)CNC(=O)C 11a_100000706253_100015343762 [0,1,0,0,0,2|1,0,0]=4 15538 B13R1.643 COc1ccnc(c1)CNC(=O)C 1626a_100000706253_100015343762 [0,1,0,0,0,2|1,0,0]=4 15539 B13R1.643 COc1ccnc(c1)CNC(=O)C 240690a_100000706253_100015343762 [0,1,0,0,0,2|1,0,0]=4 15540 B13R1.643 COc1ccnc(c1)CNC(=O)C 527a_100000706253_100103153847 [0,1,0,0,0,2|1,0,0]=4 15541 B13R1.643 COc1cncc(c1)CNC(=O)C 11a_100020589029_100015343762 [0,1,0,0,0,2|1,0,0]=4 15542 B13R1.643 COc1cncc(c1)CNC(=O)C 240690a_100020589029_100015343762 [0,1,0,0,0,2|1,0,0]=4 15543 B13R1.643 COc1cncc(c1)CNC(=O)C 527a_100020589029_100103153847 [0,1,0,0,0,2|1,0,0]=4 15544 B13R1.643 CSc1cccc(c1)/C=C/C(=O)C 62a_200000210301_200016266566 [0,1,0,0,0,2|0,0,0]=3 15545 B13R1.643 CSc1cccc(c1)/C=C/C(=O)C 62a_200016266566_200000210301 [0,1,0,0,0,2|0,0,0]=3 15546 B13R1.643 CSc1cccc(c1)CCC(=O)C 62a_100011279149_200000210301 [0,1,0,0,0,2|0,0,0]=3 15547 B13R1.643 CSc1cccc(c1)CCC(=O)C 62a_200000210301_100011279149 [0,1,0,0,0,2|0,0,0]=3 15548 B13R1.643 CSc1cccc(c1)CCC(=O)N 62a_100000162029_200000210301 [0,1,0,0,0,2|1,0,0]=4 15549 B13R1.643 CSc1cccc(c1)CCC(=O)N 62a_200000210301_100000162029 [0,1,0,0,0,2|1,0,0]=4 15550 B13R1.643 CSc1cccc(c1)CNC(=O)C 62a_100000766983_200000210301 [0,1,0,0,0,2|0,0,0]=3 15551 B13R1.643 CSc1cccc(c1)CNC(=O)C 62a_200000210301_100000766983 [0,1,0,0,0,2|0,0,0]=3 15552 B13R1.643 CSc1cccc(c1)NCC(=O)N 2230a_100000210049_100000747473 [0,1,0,0,0,2|1,0,0]=4 15553 B13R1.643 CSc1cccc(c1)NCC(=O)N 34a_100000210049_100000187820 [0,1,0,0,0,2|1,0,0]=4 15554 B13R1.643 CSc1cccc(c1)NCC(=O)[O-] 34a_100000210049_100020667443 [0,1,0,0,0,2|1,0,0]=4 15555 B13R1.643 CSc1cccc(c1)OCC(=O)N 34a_100011265683_100000187820 [0,1,0,0,0,2|1,0,0]=4 15556 B13R1.643 CSc1cccc(c1)OCC(=O)N 62a_200000150604_200000210301 [0,1,0,0,0,2|1,0,0]=4 15557 B13R1.643 CSc1cccc(c1)OCC(=O)N 62a_200000210301_200000150604 [0,1,0,0,0,2|1,0,0]=4 15558 B13R1.643 CSc1cccc(c1)OCC(=O)N 7a_100011265683_100000187820 [0,1,0,0,0,2|1,0,0]=4 15559 B13R1.643 CSc1cccc(c1)OCC(=O)[O-] 34a_100011265683_100020667443 [0,1,0,0,0,2|1,0,0]=4 15560 B13R1.643 CSc1cccc(c1)SCC(=O)N 62a_100000747473_100011215954 [0,1,0,0,0,2|1,0,0]=4 15561 B13R1.643 CSc1cccc(c1)SCC(=O)N 62a_100011215954_100000747473 [0,1,0,0,0,2|1,0,0]=4 15562 B13R1.643 CSc1cccc(c1)SCC(=O)[O-] 62a_100011215954_100020667443 [0,1,0,0,0,2|1,0,0]=4 15563 B13R1.643 CSc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215954 [0,1,0,0,0,2|1,0,0]=4 15564 B13R1.643 CSc1cccc(n1)NNC(=O)C 62a_200000079166_200000210301 [0,1,0,0,0,2|1,0,0]=4 15565 B13R1.643 CSc1cccc(n1)NNC(=O)C 62a_200000210301_200000079166 [0,1,0,0,0,2|1,0,0]=4 15566 B13R1.643 NC(=O)CNc1cccc(c1)CF 2230a_100000126320_100000747473 [0,1,0,0,0,2|1,0,0]=4 15567 B13R1.643 NC(=O)CNc1cccc(c1)CF 34a_100000126320_100000187820 [0,1,0,0,0,2|1,0,0]=4 15568 B13R1.643 NC(=O)CNc1cccc(c1)CF 7a_100000126320_100000187820 [0,1,0,0,0,2|1,0,0]=4 15569 B13R1.643 NC(=O)CNc1cccc(c1)CO 2230a_100000211919_100000747473 [0,1,0,0,0,2|1,0,0]=4 15570 B13R1.643 NC(=O)CNc1cccc(c1)CO 34a_100000211919_100000187820 [0,1,0,0,0,2|1,0,0]=4 15571 B13R1.643 NC(=O)COc1cccc(c1)CBr 34a_100011660834_100000187820 [0,1,0,0,0,2|1,0,0]=4 15572 B13R1.643 NC(=O)COc1cccc(c1)CBr 7a_100011660834_100000187820 [0,1,0,0,0,2|1,0,0]=4 15573 B13R1.643 NC(=O)COc1cccc(c1)CCl 34a_100000084143_100000187820 [0,1,0,0,0,2|1,0,0]=4 15574 B13R1.643 NC(=O)COc1cccc(c1)CCl 7a_100000084143_100000187820 [0,1,0,0,0,2|1,0,0]=4 15575 B13R1.643 NC(=O)COc1cccc(c1)CO 34a_100011214949_100000187820 [0,1,0,0,0,2|1,0,0]=4 15576 B13R1.643 NC(=O)COc1cccc(c1)CO 7a_100011214949_100000187820 [0,1,0,0,0,2|1,0,0]=4 15577 B13R1.643 NC(=O)CSc1cccc(c1)CF 62a_100000747473_100010878472 [0,1,0,0,0,2|1,0,0]=4 15578 B13R1.643 NC(=O)CSc1cccc(c1)CF 62a_100010878472_100000747473 [0,1,0,0,0,2|1,0,0]=4 15579 B13R1.643 NC(=O)CSc1cccc(c1)CO 62a_100000687537_100000747473 [0,1,0,0,0,2|1,0,0]=4 15580 B13R1.643 NC(=O)CSc1cccc(c1)CO 62a_100000747473_100000687537 [0,1,0,0,0,2|1,0,0]=4 15581 B13R1.643 NCc1cccc(c1)OCC(=O)N 34a_100000743036_100000187820 [0,1,0,0,0,2|1,0,0]=4 15582 B13R1.643 NCc1cccc(c1)OCC(=O)[O-] 34a_100000743036_100020667443 [0,1,0,0,0,2|1,0,0]=4 15583 B13R1.643 NCc1cccc(c1)SCC(=O)N 62a_100000106179_100000747473 [0,1,0,0,0,2|1,0,0]=4 15584 B13R1.643 NCc1cccc(c1)SCC(=O)N 62a_100000747473_100000106179 [0,1,0,0,0,2|1,0,0]=4 15585 B13R1.643 NCc1cccc(c1)SCC(=O)[O-] 62a_100000106179_100020667443 [0,1,0,0,0,2|1,0,0]=4 15586 B13R1.643 NCc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000106179 [0,1,0,0,0,2|1,0,0]=4 15587 B13R1.643 O=C([O-])CNc1cccc(c1)CF 34a_100000126320_100020667443 [0,1,0,0,0,2|1,0,0]=4 15588 B13R1.643 O=C([O-])CNc1cccc(c1)CO 34a_100000211919_100020667443 [0,1,0,0,0,2|1,0,0]=4 15589 B13R1.643 O=C([O-])COc1cccc(c1)CBr 34a_100011660834_100020667443 [0,1,0,0,0,2|1,0,0]=4 15590 B13R1.643 O=C([O-])COc1cccc(c1)CCl 34a_100000084143_100020667443 [0,1,0,0,0,2|1,0,0]=4 15591 B13R1.643 O=C([O-])COc1cccc(c1)CO 34a_100011214949_100020667443 [0,1,0,0,0,2|1,0,0]=4 15592 B13R1.643 O=C([O-])CSc1cccc(c1)CF 62a_100010878472_100020667443 [0,1,0,0,0,2|1,0,0]=4 15593 B13R1.643 O=C([O-])CSc1cccc(c1)CF 62a_100020667443_100010878472 [0,1,0,0,0,2|1,0,0]=4 15594 B13R1.643 O=C([O-])CSc1cccc(c1)CO 62a_100000687537_100020667443 [0,1,0,0,0,2|1,0,0]=4 15595 B13R1.643 O=C([O-])CSc1cccc(c1)CO 62a_100020667443_100000687537 [0,1,0,0,0,2|1,0,0]=4 15596 B13R1.643 [13CH3]C(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_200025704644 [0,1,0,0,0,2|0,0,1]=4 15597 B13R1.643 [13CH3]C(=O)CCc1cccc(c1)C#N 1458a_100011998624_200025704644 [0,1,0,0,0,2|0,0,1]=4 15598 B13R1.643 [13CH3]C(=O)COc1cccc(c1)C#N 1458a_100000230692_200025704644 [0,1,0,0,0,2|0,0,1]=4 15599 B13R1.643 [13CH3]Sc1cccc(c1)CCC(=O)N 62a_100000162029_200025704644 [0,1,0,0,0,2|1,0,0]=4 15600 B13R1.643 [13CH3]Sc1cccc(c1)CCC(=O)N 62a_200025704644_100000162029 [0,1,0,0,0,2|1,0,0]=4 15601 B13R1.643 [13CH3]Sc1cccc(c1)OCC(=O)N 62a_200000150604_200025704644 [0,1,0,0,0,2|1,0,0]=4 15602 B13R1.643 [13CH3]Sc1cccc(c1)OCC(=O)N 62a_200025704644_200000150604 [0,1,0,0,0,2|1,0,0]=4 15603 B13R1.838 Cc1cccc(c1)CNS(=O)(=O)C 40a_100000185548_100000738038 [0,1,0,0,0,2|1,0,0]=4 15604 B13R1.838 Cc1cccc(c1)NNS(=O)(=O)C 40a_100000681630_100000738038 [0,1,0,0,0,2|1,0,0]=4 15605 B13R1.893 C=C(C)CNc1cc(ccc1Br)C 34a_100000745044_100000748629 [0,1,0,0,0,2|1,0,0]=4 15606 B13R1.893 C=C(C)CNc1cc(ccc1C)C 2230a_100000185781_100000748629 [0,1,0,0,0,2|1,0,0]=4 15607 B13R1.893 C=C(C)CNc1cc(ccc1C)C 34a_100000185781_100000748629 [0,1,0,0,0,2|1,0,0]=4 15608 B13R1.893 C=C(C)CNc1cc(ccc1C)C 7a_100000185781_100000748629 [0,1,0,0,0,2|1,0,0]=4 15609 B13R1.893 C=C(C)CNc1cc(ccc1Cl)C 34a_100011215360_100000748629 [0,1,0,0,0,2|1,0,0]=4 15610 B13R1.893 C=C(C)CNc1cc(ccc1F)C 34a_100000211285_100000748629 [0,1,0,0,0,2|1,0,0]=4 15611 B13R1.893 C=C(C)CNc1cc(ccc1I)C 34a_100011216686_100000748629 [0,1,0,0,0,2|1,0,0]=4 15612 B13R1.893 C=C(C)CNc1cc(ccc1O)C 34a_100011215204_100000748629 [0,1,0,0,0,2|1,0,0]=4 15613 B13R1.893 C=C(C)COc1cc(ccc1Br)C 34a_100012002257_100000748629 [0,1,0,0,0,2|1,0,0]=4 15614 B13R1.893 C=C(C)COc1cc(ccc1Br)C 7a_100012002257_100000748629 [0,1,0,0,0,2|1,0,0]=4 15615 B13R1.893 C=C(C)COc1cc(ccc1C)C 34a_100000210931_100000748629 [0,1,0,0,0,2|1,0,0]=4 15616 B13R1.893 C=C(C)COc1cc(ccc1C)C 7a_100000210931_100000748629 [0,1,0,0,0,2|1,0,0]=4 15617 B13R1.893 C=C(C)COc1cc(ccc1Cl)C 34a_100000211493_100000748629 [0,1,0,0,0,2|1,0,0]=4 15618 B13R1.893 C=C(C)COc1cc(ccc1Cl)C 7a_100000211493_100000748629 [0,1,0,0,0,2|1,0,0]=4 15619 B13R1.893 C=C(C)COc1cc(ccc1F)C 34a_100000759540_100000748629 [0,1,0,0,0,2|1,0,0]=4 15620 B13R1.893 C=C(C)COc1cc(ccc1F)C 7a_100000759540_100000748629 [0,1,0,0,0,2|1,0,0]=4 15621 B13R1.893 C=C(C)COc1cc(ccc1N)C 34a_100000211527_100000748629 [0,1,0,0,0,2|1,0,0]=4 15622 B13R1.893 C=C(C)COc1cc(ccc1N)C 7a_100000211527_100000748629 [0,1,0,0,0,2|1,0,0]=4 15623 B13R1.893 C=C(C)CSc1cc(ccc1Br)C 62a_100000748629_100012353751 [0,1,0,0,0,2|1,0,0]=4 15624 B13R1.893 C=C(C)CSc1cc(ccc1Br)C 62a_100012353751_100000211660 [0,1,0,0,0,2|1,0,0]=4 15625 B13R1.893 C=C(C)CSc1cc(ccc1C)C 62a_100000210833_100000211660 [0,1,0,0,0,2|1,0,0]=4 15626 B13R1.893 C=C(C)CSc1cc(ccc1C)C 62a_100000748629_100000210833 [0,1,0,0,0,2|1,0,0]=4 15627 B13R1.893 C=C(C)CSc1cc(ccc1Cl)C 62a_100000748629_100012356289 [0,1,0,0,0,2|1,0,0]=4 15628 B13R1.893 C=C(C)CSc1cc(ccc1Cl)C 62a_100012356289_100000211660 [0,1,0,0,0,2|1,0,0]=4 15629 B13R1.893 C=C(C)CSc1cc(ccc1F)C 62a_100000736223_100000211660 [0,1,0,0,0,2|1,0,0]=4 15630 B13R1.893 C=C(C)CSc1cc(ccc1F)C 62a_100000748629_100000736223 [0,1,0,0,0,2|1,0,0]=4 15631 B13R1.893 C=C(C)CSc1cc(ccc1N)C 62a_100000748629_100011356834 [0,1,0,0,0,2|1,0,0]=4 15632 B13R1.893 C=C(C)CSc1cc(ccc1N)C 62a_100011356834_100000211660 [0,1,0,0,0,2|1,0,0]=4 15633 B13R1.893 C=C(C)CSc1cc(ccc1O)C 62a_100000748629_100000765521 [0,1,0,0,0,2|1,0,0]=4 15634 B13R1.893 C=C(C)CSc1cc(ccc1O)C 62a_100000765521_100000211660 [0,1,0,0,0,2|1,0,0]=4 15635 B13R1.893 CC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200000210301 [0,1,0,0,0,2|1,0,0]=4 15636 B13R1.893 CC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200000210301 [0,1,0,0,0,2|1,0,0]=4 15637 B13R1.893 CC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200000210301 [0,1,0,0,0,2|1,0,0]=4 15638 B13R1.893 CC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_200000210301 [0,1,0,0,0,2|0,0,0]=3 15639 B13R1.893 CC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200000210301 [0,1,0,0,0,2|1,0,0]=4 15640 B13R1.893 CC(=O)CCc1cc(ccc1Br)F 1458a_100000685340_200000210301 [0,1,0,0,0,2|1,0,0]=4 15641 B13R1.893 CC(=O)CCc1cc(ccc1C)C 1458a_100011485725_200000210301 [0,1,0,0,0,2|0,0,0]=3 15642 B13R1.893 CC(=O)CCc1cc(ccc1C)F 1458a_100011830270_200000210301 [0,1,0,0,0,2|1,0,0]=4 15643 B13R1.893 CC(=O)CCc1cc(ccc1Cl)Br 1458a_100010145785_200000210301 [0,1,0,0,0,2|1,0,0]=4 15644 B13R1.893 CC(=O)CCc1cc(ccc1Cl)Cl 1458a_200012258936_200000210301 [0,1,0,0,0,2|1,0,0]=4 15645 B13R1.893 CC(=O)CCc1cc(ccc1Cl)F 1458a_100012357546_200000210301 [0,1,0,0,0,2|1,0,0]=4 15646 B13R1.893 CC(=O)CCc1cc(ccc1F)Br 1458a_100000694007_200000210301 [0,1,0,0,0,2|1,0,0]=4 15647 B13R1.893 CC(=O)CCc1cc(ccc1F)C 1458a_100011934859_200000210301 [0,1,0,0,0,2|0,0,0]=3 15648 B13R1.893 CC(=O)CCc1cc(ccc1F)Cl 1458a_200012349660_200000210301 [0,1,0,0,0,2|1,0,0]=4 15649 B13R1.893 CC(=O)CCc1cc(ccc1F)F 1458a_100000070787_100011755056 [0,1,0,0,0,2|1,0,0]=4 15650 B13R1.893 CC(=O)CCc1cc(ccc1F)F 1458a_100000744313_200000210301 [0,1,0,0,0,2|1,0,0]=4 15651 B13R1.893 CC(=O)COc1cc(ccc1Br)Cl 1458a_100015481456_200000210301 [0,1,0,0,0,2|1,0,0]=4 15652 B13R1.893 CC(=O)COc1cc(ccc1C)C 1458a_100000182428_200000210301 [0,1,0,0,0,2|0,0,0]=3 15653 B13R1.893 CC(=O)COc1cc(ccc1Cl)C 1458a_100000183693_200000210301 [0,1,0,0,0,2|0,0,0]=3 15654 B13R1.893 CC(=O)COc1cc(ccc1Cl)Cl 1458a_100000187393_200000210301 [0,1,0,0,0,2|1,0,0]=4 15655 B13R1.893 CC(=O)COc1cc(ccc1F)F 1458a_100000752474_200000210301 [0,1,0,0,0,2|1,0,0]=4 15656 B13R1.893 CC(=O)CSc1cc(ccc1Cl)Cl 1458a_100000179523_200000210301 [0,1,0,0,0,2|1,0,0]=4 15657 B13R1.893 CC(=O)NCc1cc(ccc1Br)Br 11a_100000707832_100015343762 [0,1,0,0,0,2|1,0,0]=4 15658 B13R1.893 CC(=O)NCc1cc(ccc1Br)Br 1626a_100000707832_100015343762 [0,1,0,0,0,2|1,0,0]=4 15659 B13R1.893 CC(=O)NCc1cc(ccc1Br)Br 240690a_100000707832_100015343762 [0,1,0,0,0,2|1,0,0]=4 15660 B13R1.893 CC(=O)NCc1cc(ccc1Br)Br 527a_100000707832_100103153847 [0,1,0,0,0,2|1,0,0]=4 15661 B13R1.893 CC(=O)NCc1cc(ccc1Br)F 11a_100000742738_100015343762 [0,1,0,0,0,2|1,0,0]=4 15662 B13R1.893 CC(=O)NCc1cc(ccc1Br)F 1626a_100000742738_100015343762 [0,1,0,0,0,2|1,0,0]=4 15663 B13R1.893 CC(=O)NCc1cc(ccc1Br)F 240690a_100000742738_100015343762 [0,1,0,0,0,2|1,0,0]=4 15664 B13R1.893 CC(=O)NCc1cc(ccc1Br)F 527a_100000742738_100103153847 [0,1,0,0,0,2|1,0,0]=4 15665 B13R1.893 CC(=O)NCc1cc(ccc1C)C 11a_100000174964_100015343762 [0,1,0,0,0,2|0,0,0]=3 15666 B13R1.893 CC(=O)NCc1cc(ccc1C)C 1626a_100000174964_100015343762 [0,1,0,0,0,2|0,0,0]=3 15667 B13R1.893 CC(=O)NCc1cc(ccc1C)C 240690a_100000174964_100015343762 [0,1,0,0,0,2|0,0,0]=3 15668 B13R1.893 CC(=O)NCc1cc(ccc1C)C 527a_100000174964_100103153847 [0,1,0,0,0,2|0,0,0]=3 15669 B13R1.893 CC(=O)NCc1cc(ccc1C)Cl 11a_100000717755_100015343762 [0,1,0,0,0,2|1,0,0]=4 15670 B13R1.893 CC(=O)NCc1cc(ccc1C)Cl 1626a_100000717755_100015343762 [0,1,0,0,0,2|1,0,0]=4 15671 B13R1.893 CC(=O)NCc1cc(ccc1C)Cl 240690a_100000717755_100015343762 [0,1,0,0,0,2|1,0,0]=4 15672 B13R1.893 CC(=O)NCc1cc(ccc1C)Cl 527a_100000717755_100103153847 [0,1,0,0,0,2|1,0,0]=4 15673 B13R1.893 CC(=O)NCc1cc(ccc1C)F 11a_100011217291_100015343762 [0,1,0,0,0,2|1,0,0]=4 15674 B13R1.893 CC(=O)NCc1cc(ccc1C)F 1626a_100011217291_100015343762 [0,1,0,0,0,2|1,0,0]=4 15675 B13R1.893 CC(=O)NCc1cc(ccc1C)F 240690a_100011217291_100015343762 [0,1,0,0,0,2|1,0,0]=4 15676 B13R1.893 CC(=O)NCc1cc(ccc1C)F 527a_100011217291_100103153847 [0,1,0,0,0,2|1,0,0]=4 15677 B13R1.893 CC(=O)NCc1cc(ccc1C)O 240690a_200009844824_100015343762 [0,1,0,0,0,2|1,0,0]=4 15678 B13R1.893 CC(=O)NCc1cc(ccc1C)O 527a_200009844824_100103153847 [0,1,0,0,0,2|1,0,0]=4 15679 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Br 11a_100025772652_100015343762 [0,1,0,0,0,2|1,0,0]=4 15680 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Br 1626a_100025772652_100015343762 [0,1,0,0,0,2|1,0,0]=4 15681 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Br 240690a_100025772652_100015343762 [0,1,0,0,0,2|1,0,0]=4 15682 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Br 527a_100025772652_100103153847 [0,1,0,0,0,2|1,0,0]=4 15683 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 11a_100025705715_100015343762 [0,1,0,0,0,2|0,0,0]=3 15684 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 1626a_100025705715_100015343762 [0,1,0,0,0,2|0,0,0]=3 15685 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 240690a_100025705715_100015343762 [0,1,0,0,0,2|0,0,0]=3 15686 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 527a_100025705715_100103153847 [0,1,0,0,0,2|0,0,0]=3 15687 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Cl 11a_100102946428_100015343762 [0,1,0,0,0,2|1,0,0]=4 15688 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Cl 1626a_100102946428_100015343762 [0,1,0,0,0,2|1,0,0]=4 15689 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Cl 240690a_100102946428_100015343762 [0,1,0,0,0,2|1,0,0]=4 15690 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Cl 527a_100102946428_100103153847 [0,1,0,0,0,2|1,0,0]=4 15691 B13R1.893 CC(=O)NCc1cc(ccc1Cl)F 11a_100011830483_100015343762 [0,1,0,0,0,2|1,0,0]=4 15692 B13R1.893 CC(=O)NCc1cc(ccc1Cl)F 1626a_100011830483_100015343762 [0,1,0,0,0,2|1,0,0]=4 15693 B13R1.893 CC(=O)NCc1cc(ccc1Cl)F 240690a_100011830483_100015343762 [0,1,0,0,0,2|1,0,0]=4 15694 B13R1.893 CC(=O)NCc1cc(ccc1Cl)F 527a_100011830483_100103153847 [0,1,0,0,0,2|1,0,0]=4 15695 B13R1.893 CC(=O)NCc1cc(ccc1F)Br 11a_100009815772_100015343762 [0,1,0,0,0,2|1,0,0]=4 15696 B13R1.893 CC(=O)NCc1cc(ccc1F)Br 1626a_100009815772_100015343762 [0,1,0,0,0,2|1,0,0]=4 15697 B13R1.893 CC(=O)NCc1cc(ccc1F)Br 240690a_100009815772_100015343762 [0,1,0,0,0,2|1,0,0]=4 15698 B13R1.893 CC(=O)NCc1cc(ccc1F)Br 527a_100009815772_100103153847 [0,1,0,0,0,2|1,0,0]=4 15699 B13R1.893 CC(=O)NCc1cc(ccc1F)C 11a_100102693586_100015343762 [0,1,0,0,0,2|0,0,0]=3 15700 B13R1.893 CC(=O)NCc1cc(ccc1F)C 1626a_100102693586_100015343762 [0,1,0,0,0,2|0,0,0]=3 15701 B13R1.893 CC(=O)NCc1cc(ccc1F)C 240690a_100102693586_100015343762 [0,1,0,0,0,2|0,0,0]=3 15702 B13R1.893 CC(=O)NCc1cc(ccc1F)C 527a_100102693586_100103153847 [0,1,0,0,0,2|0,0,0]=3 15703 B13R1.893 CC(=O)NCc1cc(ccc1F)Cl 11a_100011211646_100015343762 [0,1,0,0,0,2|1,0,0]=4 15704 B13R1.893 CC(=O)NCc1cc(ccc1F)Cl 1626a_100011211646_100015343762 [0,1,0,0,0,2|1,0,0]=4 15705 B13R1.893 CC(=O)NCc1cc(ccc1F)Cl 240690a_100011211646_100015343762 [0,1,0,0,0,2|1,0,0]=4 15706 B13R1.893 CC(=O)NCc1cc(ccc1F)Cl 527a_100011211646_100103153847 [0,1,0,0,0,2|1,0,0]=4 15707 B13R1.893 CC(=O)NCc1cc(ccc1F)F 11a_100000752317_100015343762 [0,1,0,0,0,2|1,0,0]=4 15708 B13R1.893 CC(=O)NCc1cc(ccc1F)F 1626a_100000752317_100015343762 [0,1,0,0,0,2|1,0,0]=4 15709 B13R1.893 CC(=O)NCc1cc(ccc1F)F 240690a_100000752317_100015343762 [0,1,0,0,0,2|1,0,0]=4 15710 B13R1.893 CC(=O)NCc1cc(ccc1F)F 527a_100000752317_100103153847 [0,1,0,0,0,2|1,0,0]=4 15711 B13R1.893 CC(=O)NCc1cc(ccc1O)Br 240690a_100000730032_100015343762 [0,1,0,0,0,2|1,0,0]=4 15712 B13R1.893 CC(=O)NCc1cc(ccc1O)Br 527a_100000730032_100103153847 [0,1,0,0,0,2|1,0,0]=4 15713 B13R1.893 CC(=O)NCc1cc(ccc1O)Cl 240690a_100000238540_100015343762 [0,1,0,0,0,2|1,0,0]=4 15714 B13R1.893 CC(=O)NCc1cc(ccc1O)Cl 527a_100000238540_100103153847 [0,1,0,0,0,2|1,0,0]=4 15715 B13R1.893 CC(=O)NNc1cc(ccc1Br)Br 22a_200011483129_100000070787 [0,1,0,0,0,2|1,0,0]=4 15716 B13R1.893 CC(=O)NNc1cc(ccc1Br)F 22a_100012362518_100000070787 [0,1,0,0,0,2|1,0,0]=4 15717 B13R1.893 CC(=O)NNc1cc(ccc1C)C 22a_100000683361_100000070787 [0,1,0,0,0,2|0,0,0]=3 15718 B13R1.893 CC(=O)NNc1cc(ccc1C)Cl 22a_100020587667_100000070787 [0,1,0,0,0,2|1,0,0]=4 15719 B13R1.893 CC(=O)NNc1cc(ccc1C)F 22a_100011206524_100000070787 [0,1,0,0,0,2|1,0,0]=4 15720 B13R1.893 CC(=O)NNc1cc(ccc1Cl)C 22a_200020642191_100000070787 [0,1,0,0,0,2|0,0,0]=3 15721 B13R1.893 CC(=O)NNc1cc(ccc1Cl)Cl 22a_100000765587_100000070787 [0,1,0,0,0,2|1,0,0]=4 15722 B13R1.893 CC(=O)NNc1cc(ccc1Cl)F 22a_100016987657_100000070787 [0,1,0,0,0,2|1,0,0]=4 15723 B13R1.893 CC(=O)NNc1cc(ccc1F)Br 22a_100020610843_100000070787 [0,1,0,0,0,2|1,0,0]=4 15724 B13R1.893 CC(=O)NNc1cc(ccc1F)C 22a_100011248256_100000070787 [0,1,0,0,0,2|0,0,0]=3 15725 B13R1.893 CC(=O)NNc1cc(ccc1F)Cl 22a_100016987663_100000070787 [0,1,0,0,0,2|1,0,0]=4 15726 B13R1.893 CC(=O)NNc1cc(ccc1F)F 22a_100000005413_100000070787 [0,1,0,0,0,2|1,0,0]=4 15727 B13R1.893 Cc1ccc(c(c1)C=CC(=O)[13CH3])F 1458a_100102526132_200025704644 [0,1,0,0,0,2|0,0,0]=3 15728 B13R1.893 Cc1ccc(c(c1)CCC(=O)[13CH3])C 1458a_100011485725_200025704644 [0,1,0,0,0,2|0,0,0]=3 15729 B13R1.893 Cc1ccc(c(c1)CCC(=O)[13CH3])F 1458a_100011934859_200025704644 [0,1,0,0,0,2|0,0,0]=3 15730 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)Br 34a_100000745044_100000187820 [0,1,0,0,0,2|1,0,0]=4 15731 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)C 2230a_100000185781_100000747473 [0,1,0,0,0,2|1,0,0]=4 15732 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)C 34a_100000185781_100000187820 [0,1,0,0,0,2|1,0,0]=4 15733 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)C 7a_100000185781_100000187820 [0,1,0,0,0,2|1,0,0]=4 15734 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)Cl 34a_100011215360_100000187820 [0,1,0,0,0,2|1,0,0]=4 15735 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)F 34a_100000211285_100000187820 [0,1,0,0,0,2|1,0,0]=4 15736 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)I 34a_100011216686_100000187820 [0,1,0,0,0,2|1,0,0]=4 15737 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)O 34a_100011215204_100000187820 [0,1,0,0,0,2|1,0,0]=4 15738 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])Br 34a_100000745044_100020667443 [0,1,0,0,0,2|1,0,0]=4 15739 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])C 34a_100000185781_100020667443 [0,1,0,0,0,2|1,0,0]=4 15740 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])Cl 34a_100011215360_100020667443 [0,1,0,0,0,2|1,0,0]=4 15741 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])F 34a_100000211285_100020667443 [0,1,0,0,0,2|1,0,0]=4 15742 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])I 34a_100011216686_100020667443 [0,1,0,0,0,2|1,0,0]=4 15743 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])O 34a_100011215204_100020667443 [0,1,0,0,0,2|1,0,0]=4 15744 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Br 34a_100012002257_100000187820 [0,1,0,0,0,2|1,0,0]=4 15745 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Br 7a_100012002257_100000187820 [0,1,0,0,0,2|1,0,0]=4 15746 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)C 34a_100000210931_100000187820 [0,1,0,0,0,2|1,0,0]=4 15747 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)C 7a_100000210931_100000187820 [0,1,0,0,0,2|1,0,0]=4 15748 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Cl 34a_100000211493_100000187820 [0,1,0,0,0,2|1,0,0]=4 15749 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Cl 7a_100000211493_100000187820 [0,1,0,0,0,2|1,0,0]=4 15750 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)F 34a_100000759540_100000187820 [0,1,0,0,0,2|1,0,0]=4 15751 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)F 7a_100000759540_100000187820 [0,1,0,0,0,2|1,0,0]=4 15752 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)N 34a_100000211527_100000187820 [0,1,0,0,0,2|1,0,0]=4 15753 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)N 7a_100000211527_100000187820 [0,1,0,0,0,2|1,0,0]=4 15754 B13R1.893 Cc1ccc(c(c1)OCC(=O)[13CH3])C 1458a_100000182428_200025704644 [0,1,0,0,0,2|0,0,0]=3 15755 B13R1.893 Cc1ccc(c(c1)OCC(=O)[13CH3])Cl 1458a_100000183693_200025704644 [0,1,0,0,0,2|0,0,0]=3 15756 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])Br 34a_100012002257_100020667443 [0,1,0,0,0,2|1,0,0]=4 15757 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])C 34a_100000210931_100020667443 [0,1,0,0,0,2|1,0,0]=4 15758 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])Cl 34a_100000211493_100020667443 [0,1,0,0,0,2|1,0,0]=4 15759 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])F 34a_100000759540_100020667443 [0,1,0,0,0,2|1,0,0]=4 15760 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])N 34a_100000211527_100020667443 [0,1,0,0,0,2|1,0,0]=4 15761 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)Br 62a_100000747473_100012353751 [0,1,0,0,0,2|1,0,0]=4 15762 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)Br 62a_100012353751_100000747473 [0,1,0,0,0,2|1,0,0]=4 15763 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)C 62a_100000210833_100000747473 [0,1,0,0,0,2|1,0,0]=4 15764 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)C 62a_100000747473_100000210833 [0,1,0,0,0,2|1,0,0]=4 15765 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)Cl 62a_100000747473_100012356289 [0,1,0,0,0,2|1,0,0]=4 15766 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)Cl 62a_100012356289_100000747473 [0,1,0,0,0,2|1,0,0]=4 15767 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)F 62a_100000736223_100000747473 [0,1,0,0,0,2|1,0,0]=4 15768 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)F 62a_100000747473_100000736223 [0,1,0,0,0,2|1,0,0]=4 15769 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)N 62a_100000747473_100011356834 [0,1,0,0,0,2|1,0,0]=4 15770 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)N 62a_100011356834_100000747473 [0,1,0,0,0,2|1,0,0]=4 15771 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)O 62a_100000747473_100000765521 [0,1,0,0,0,2|1,0,0]=4 15772 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)O 62a_100000765521_100000747473 [0,1,0,0,0,2|1,0,0]=4 15773 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])Br 62a_100012353751_100020667443 [0,1,0,0,0,2|1,0,0]=4 15774 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])Br 62a_100020667443_100012353751 [0,1,0,0,0,2|1,0,0]=4 15775 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])C 62a_100000210833_100020667443 [0,1,0,0,0,2|1,0,0]=4 15776 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])C 62a_100020667443_100000210833 [0,1,0,0,0,2|1,0,0]=4 15777 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])Cl 62a_100012356289_100020667443 [0,1,0,0,0,2|1,0,0]=4 15778 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])Cl 62a_100020667443_100012356289 [0,1,0,0,0,2|1,0,0]=4 15779 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])F 62a_100000736223_100020667443 [0,1,0,0,0,2|1,0,0]=4 15780 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])F 62a_100020667443_100000736223 [0,1,0,0,0,2|1,0,0]=4 15781 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])N 62a_100011356834_100020667443 [0,1,0,0,0,2|1,0,0]=4 15782 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])N 62a_100020667443_100011356834 [0,1,0,0,0,2|1,0,0]=4 15783 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100000765521_100020667443 [0,1,0,0,0,2|1,0,0]=4 15784 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100000765521 [0,1,0,0,0,2|1,0,0]=4 15785 B13R1.893 Cc1ccc(cc1CCC(=O)[13CH3])F 1458a_100011830270_200025704644 [0,1,0,0,0,2|1,0,0]=4 15786 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200025704644 [0,1,0,0,0,2|1,0,0]=4 15787 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200025704644 [0,1,0,0,0,2|1,0,0]=4 15788 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200025704644 [0,1,0,0,0,2|1,0,0]=4 15789 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200025704644 [0,1,0,0,0,2|1,0,0]=4 15790 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Br)F 1458a_100000685340_200025704644 [0,1,0,0,0,2|1,0,0]=4 15791 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)Br 1458a_100010145785_200025704644 [0,1,0,0,0,2|1,0,0]=4 15792 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)Cl 1458a_200012258936_200025704644 [0,1,0,0,0,2|1,0,0]=4 15793 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)F 1458a_100012357546_200025704644 [0,1,0,0,0,2|1,0,0]=4 15794 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)Br 1458a_100000694007_200025704644 [0,1,0,0,0,2|1,0,0]=4 15795 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)Cl 1458a_200012349660_200025704644 [0,1,0,0,0,2|1,0,0]=4 15796 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)F 1458a_100000744313_200025704644 [0,1,0,0,0,2|1,0,0]=4 15797 B13R1.893 [13CH3]C(=O)COc1cc(ccc1Br)Cl 1458a_100015481456_200025704644 [0,1,0,0,0,2|1,0,0]=4 15798 B13R1.893 [13CH3]C(=O)COc1cc(ccc1Cl)Cl 1458a_100000187393_200025704644 [0,1,0,0,0,2|1,0,0]=4 15799 B13R1.893 [13CH3]C(=O)COc1cc(ccc1F)F 1458a_100000752474_200025704644 [0,1,0,0,0,2|1,0,0]=4 15800 B13R1.893 [13CH3]C(=O)CSc1cc(ccc1Cl)Cl 1458a_100000179523_200025704644 [0,1,0,0,0,2|1,0,0]=4 15801 B13R1.3420 C=C(C)CNc1cc(cc(c1)Br)C 34a_100000695972_100000748629 [0,1,0,0,0,2|1,0,0]=4 15802 B13R1.3420 C=C(C)CNc1cc(cc(c1)Br)C 7a_100000695972_100000748629 [0,1,0,0,0,2|1,0,0]=4 15803 B13R1.3420 C=C(C)CNc1cc(cc(c1)C)C 2230a_100000210930_100000748629 [0,1,0,0,0,2|1,0,0]=4 15804 B13R1.3420 C=C(C)CNc1cc(cc(c1)C)C 34a_100000210930_100000748629 [0,1,0,0,0,2|1,0,0]=4 15805 B13R1.3420 C=C(C)CNc1cc(cc(c1)C)C 7a_100000210930_100000748629 [0,1,0,0,0,2|1,0,0]=4 15806 B13R1.3420 C=C(C)CNc1cc(cc(c1)Cl)C 2230a_100012022512_100000748629 [0,1,0,0,0,2|1,0,0]=4 15807 B13R1.3420 C=C(C)CNc1cc(cc(c1)Cl)C 34a_100012022512_100000748629 [0,1,0,0,0,2|1,0,0]=4 15808 B13R1.3420 C=C(C)CNc1cc(cc(c1)Cl)C 7a_100012022512_100000748629 [0,1,0,0,0,2|1,0,0]=4 15809 B13R1.3420 C=C(C)CNc1cc(cc(c1)F)C 2230a_100000742734_100000748629 [0,1,0,0,0,2|1,0,0]=4 15810 B13R1.3420 C=C(C)CNc1cc(cc(c1)F)C 34a_100000742734_100000748629 [0,1,0,0,0,2|1,0,0]=4 15811 B13R1.3420 C=C(C)CNc1cc(cc(c1)F)C 7a_100000742734_100000748629 [0,1,0,0,0,2|1,0,0]=4 15812 B13R1.3420 C=C(C)CNc1cc(cc(c1)O)C 34a_100011995906_100000748629 [0,1,0,0,0,2|1,0,0]=4 15813 B13R1.3420 C=C(C)CNc1cc(cc(c1)O)C 7a_100011995906_100000748629 [0,1,0,0,0,2|1,0,0]=4 15814 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)C 34a_100011999630_100000748629 [0,1,0,0,0,2|1,0,0]=4 15815 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)C 7a_100011999630_100000748629 [0,1,0,0,0,2|1,0,0]=4 15816 B13R1.3420 C=C(C)COc1cc(cc(c1)C)C 34a_100000210933_100000748629 [0,1,0,0,0,2|1,0,0]=4 15817 B13R1.3420 C=C(C)COc1cc(cc(c1)C)C 7a_100000210933_100000748629 [0,1,0,0,0,2|1,0,0]=4 15818 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)C 34a_100000087485_100000748629 [0,1,0,0,0,2|1,0,0]=4 15819 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)C 7a_100000087485_100000748629 [0,1,0,0,0,2|1,0,0]=4 15820 B13R1.3420 C=C(C)COc1cc(cc(c1)F)C 34a_100011830401_100000748629 [0,1,0,0,0,2|1,0,0]=4 15821 B13R1.3420 C=C(C)COc1cc(cc(c1)F)C 7a_100011830401_100000748629 [0,1,0,0,0,2|1,0,0]=4 15822 B13R1.3420 C=C(C)COc1cc(cc(c1)N)C 34a_100011995906_100000748629 [0,1,0,0,0,2|1,0,0]=4 15823 B13R1.3420 C=C(C)COc1cc(cc(c1)N)C 7a_100011995906_100000748629 [0,1,0,0,0,2|1,0,0]=4 15824 B13R1.3420 C=C(C)CSc1cc(cc(c1)C)C 62a_100000748629_100011215608 [0,1,0,0,0,2|1,0,0]=4 15825 B13R1.3420 C=C(C)CSc1cc(cc(c1)C)C 62a_100011215608_100000211660 [0,1,0,0,0,2|1,0,0]=4 15826 B13R1.3420 C=C(C)CSc1cc(cc(c1)Cl)C 62a_100000748629_100010172791 [0,1,0,0,0,2|1,0,0]=4 15827 B13R1.3420 C=C(C)CSc1cc(cc(c1)Cl)C 62a_100010172791_100000211660 [0,1,0,0,0,2|1,0,0]=4 15828 B13R1.3420 C=C(C)CSc1cc(cc(c1)F)C 62a_100000748629_100011356977 [0,1,0,0,0,2|1,0,0]=4 15829 B13R1.3420 C=C(C)CSc1cc(cc(c1)F)C 62a_100011356977_100000211660 [0,1,0,0,0,2|1,0,0]=4 15830 B13R1.3420 C=C(C)CSc1cc(cc(c1)N)C 62a_100000695972_100000211660 [0,1,0,0,0,2|1,0,0]=4 15831 B13R1.3420 C=C(C)CSc1cc(cc(c1)N)C 62a_100000748629_100000695972 [0,1,0,0,0,2|1,0,0]=4 15832 B13R1.3420 C=C(C)CSc1cc(cc(c1)O)C 62a_100000748629_100011999630 [0,1,0,0,0,2|1,0,0]=4 15833 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)C)C 1458a_100016257640_200000210301 [0,1,0,0,0,2|0,0,0]=3 15834 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_200000210301 [0,1,0,0,0,2|1,0,0]=4 15835 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_200000210301 [0,1,0,0,0,2|1,0,0]=4 15836 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)F)C 1458a_100102526130_200000210301 [0,1,0,0,0,2|0,0,0]=3 15837 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_200000210301 [0,1,0,0,0,2|1,0,0]=4 15838 B13R1.3420 CC(=O)CCc1cc(cc(c1)Br)Br 1458a_100010253072_200000210301 [0,1,0,0,0,2|1,0,0]=4 15839 B13R1.3420 CC(=O)CCc1cc(cc(c1)Br)F 1458a_100012357547_200000210301 [0,1,0,0,0,2|1,0,0]=4 15840 B13R1.3420 CC(=O)CCc1cc(cc(c1)C)C 1458a_100000688337_200000210301 [0,1,0,0,0,2|0,0,0]=3 15841 B13R1.3420 CC(=O)CCc1cc(cc(c1)Cl)Cl 1458a_100000070787_100000691793 [0,1,0,0,0,2|1,0,0]=4 15842 B13R1.3420 CC(=O)CCc1cc(cc(c1)Cl)Cl 1458a_100000689174_200000210301 [0,1,0,0,0,2|1,0,0]=4 15843 B13R1.3420 CC(=O)CCc1cc(cc(c1)F)F 1458a_100000070787_100011754442 [0,1,0,0,0,2|1,0,0]=4 15844 B13R1.3420 CC(=O)CCc1cc(cc(c1)F)F 1458a_100011934504_200000210301 [0,1,0,0,0,2|1,0,0]=4 15845 B13R1.3420 CC(=O)COc1cc(cc(c1)Br)Cl 1458a_100010899942_200000210301 [0,1,0,0,0,2|1,0,0]=4 15846 B13R1.3420 CC(=O)COc1cc(cc(c1)C)C 1458a_100000182991_200000210301 [0,1,0,0,0,2|0,0,0]=3 15847 B13R1.3420 CC(=O)COc1cc(cc(c1)Cl)Cl 1458a_100000764634_200000210301 [0,1,0,0,0,2|1,0,0]=4 15848 B13R1.3420 CC(=O)NCc1cc(cc(c1)Br)Br 11a_100015211796_100015343762 [0,1,0,0,0,2|1,0,0]=4 15849 B13R1.3420 CC(=O)NCc1cc(cc(c1)Br)Br 240690a_100015211796_100015343762 [0,1,0,0,0,2|1,0,0]=4 15850 B13R1.3420 CC(=O)NCc1cc(cc(c1)Br)Br 527a_100015211796_100103153847 [0,1,0,0,0,2|1,0,0]=4 15851 B13R1.3420 CC(=O)NCc1cc(cc(c1)Br)F 11a_100020611034_100015343762 [0,1,0,0,0,2|1,0,0]=4 15852 B13R1.3420 CC(=O)NCc1cc(cc(c1)Br)F 1626a_100020611034_100015343762 [0,1,0,0,0,2|1,0,0]=4 15853 B13R1.3420 CC(=O)NCc1cc(cc(c1)Br)F 240690a_100020611034_100015343762 [0,1,0,0,0,2|1,0,0]=4 15854 B13R1.3420 CC(=O)NCc1cc(cc(c1)Br)F 527a_100020611034_100103153847 [0,1,0,0,0,2|1,0,0]=4 15855 B13R1.3420 CC(=O)NCc1cc(cc(c1)C)C 11a_100020591340_100015343762 [0,1,0,0,0,2|0,0,0]=3 15856 B13R1.3420 CC(=O)NCc1cc(cc(c1)C)C 1626a_100020591340_100015343762 [0,1,0,0,0,2|0,0,0]=3 15857 B13R1.3420 CC(=O)NCc1cc(cc(c1)C)C 240690a_100020591340_100015343762 [0,1,0,0,0,2|0,0,0]=3 15858 B13R1.3420 CC(=O)NCc1cc(cc(c1)C)C 527a_100020591340_100103153847 [0,1,0,0,0,2|0,0,0]=3 15859 B13R1.3420 CC(=O)NCc1cc(cc(c1)Cl)Cl 11a_100011211636_100015343762 [0,1,0,0,0,2|1,0,0]=4 15860 B13R1.3420 CC(=O)NCc1cc(cc(c1)Cl)Cl 1626a_100011211636_100015343762 [0,1,0,0,0,2|1,0,0]=4 15861 B13R1.3420 CC(=O)NCc1cc(cc(c1)Cl)Cl 240690a_100011211636_100015343762 [0,1,0,0,0,2|1,0,0]=4 15862 B13R1.3420 CC(=O)NCc1cc(cc(c1)Cl)Cl 527a_100011211636_100103153847 [0,1,0,0,0,2|1,0,0]=4 15863 B13R1.3420 CC(=O)NCc1cc(cc(c1)Cl)F 11a_100137329012_100015343762 [0,1,0,0,0,2|1,0,0]=4 15864 B13R1.3420 CC(=O)NCc1cc(cc(c1)Cl)F 1626a_100137329012_100015343762 [0,1,0,0,0,2|1,0,0]=4 15865 B13R1.3420 CC(=O)NCc1cc(cc(c1)Cl)F 240690a_100137329012_100015343762 [0,1,0,0,0,2|1,0,0]=4 15866 B13R1.3420 CC(=O)NCc1cc(cc(c1)Cl)F 527a_100137329012_100103153847 [0,1,0,0,0,2|1,0,0]=4 15867 B13R1.3420 CC(=O)NCc1cc(cc(c1)Cl)O 240690a_107254831445_100015343762 [0,1,0,0,0,2|1,0,0]=4 15868 B13R1.3420 CC(=O)NCc1cc(cc(c1)Cl)O 527a_107254831445_100103153847 [0,1,0,0,0,2|1,0,0]=4 15869 B13R1.3420 CC(=O)NCc1cc(cc(c1)F)C 11a_100011830484_100015343762 [0,1,0,0,0,2|0,0,0]=3 15870 B13R1.3420 CC(=O)NCc1cc(cc(c1)F)C 1626a_100011830484_100015343762 [0,1,0,0,0,2|0,0,0]=3 15871 B13R1.3420 CC(=O)NCc1cc(cc(c1)F)C 240690a_100011830484_100015343762 [0,1,0,0,0,2|0,0,0]=3 15872 B13R1.3420 CC(=O)NCc1cc(cc(c1)F)C 527a_100011830484_100103153847 [0,1,0,0,0,2|0,0,0]=3 15873 B13R1.3420 CC(=O)NCc1cc(cc(c1)F)F 11a_100000737602_100015343762 [0,1,0,0,0,2|1,0,0]=4 15874 B13R1.3420 CC(=O)NCc1cc(cc(c1)F)F 1626a_100000737602_100015343762 [0,1,0,0,0,2|1,0,0]=4 15875 B13R1.3420 CC(=O)NCc1cc(cc(c1)F)F 240690a_100000737602_100015343762 [0,1,0,0,0,2|1,0,0]=4 15876 B13R1.3420 CC(=O)NCc1cc(cc(c1)F)F 527a_100000737602_100103153847 [0,1,0,0,0,2|1,0,0]=4 15877 B13R1.3420 CC(=O)NCc1cc(cc(c1)F)O 240690a_100160469513_100015343762 [0,1,0,0,0,2|1,0,0]=4 15878 B13R1.3420 CC(=O)NCc1cc(cc(c1)F)O 527a_100160469513_100103153847 [0,1,0,0,0,2|1,0,0]=4 15879 B13R1.3420 CC(=O)NCc1cc(cc(c1)O)O 240690a_100159270720_100015343762 [0,1,0,0,0,2|1,0,0]=4 15880 B13R1.3420 CC(=O)NCc1cc(cc(c1)O)O 527a_100159270720_100103153847 [0,1,0,0,0,2|1,0,0]=4 15881 B13R1.3420 CC(=O)NCc1cc(cc(n1)C)Br 11a_100010178683_100015343762 [0,1,0,0,0,2|1,0,0]=4 15882 B13R1.3420 CC(=O)NCc1cc(cc(n1)C)Br 240690a_100010178683_100015343762 [0,1,0,0,0,2|1,0,0]=4 15883 B13R1.3420 CC(=O)NCc1cc(cc(n1)C)Br 527a_100010178683_100103153847 [0,1,0,0,0,2|1,0,0]=4 15884 B13R1.3420 CC(=O)NNc1cc(cc(c1)C)C 22a_100000184486_100000070787 [0,1,0,0,0,2|0,0,0]=3 15885 B13R1.3420 CC(=O)NNc1cc(cc(c1)Cl)Cl 22a_100000716695_100000070787 [0,1,0,0,0,2|1,0,0]=4 15886 B13R1.3420 CC(=O)NNc1cc(cc(c1)F)F 22a_100000744470_100000070787 [0,1,0,0,0,2|1,0,0]=4 15887 B13R1.3420 Cc1cc(cc(c1)C=CC(=O)[13CH3])C 1458a_100016257640_200025704644 [0,1,0,0,0,2|0,0,0]=3 15888 B13R1.3420 Cc1cc(cc(c1)C=CC(=O)[13CH3])F 1458a_100102526130_200025704644 [0,1,0,0,0,2|0,0,0]=3 15889 B13R1.3420 Cc1cc(cc(c1)CCC(=O)[13CH3])C 1458a_100000688337_200025704644 [0,1,0,0,0,2|0,0,0]=3 15890 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)Br 34a_100000695972_100000187820 [0,1,0,0,0,2|1,0,0]=4 15891 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)Br 7a_100000695972_100000187820 [0,1,0,0,0,2|1,0,0]=4 15892 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)C 2230a_100000210930_100000747473 [0,1,0,0,0,2|1,0,0]=4 15893 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)C 34a_100000210930_100000187820 [0,1,0,0,0,2|1,0,0]=4 15894 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)C 7a_100000210930_100000187820 [0,1,0,0,0,2|1,0,0]=4 15895 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)Cl 2230a_100012022512_100000747473 [0,1,0,0,0,2|1,0,0]=4 15896 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)Cl 34a_100012022512_100000187820 [0,1,0,0,0,2|1,0,0]=4 15897 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)Cl 7a_100012022512_100000187820 [0,1,0,0,0,2|1,0,0]=4 15898 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)F 2230a_100000742734_100000747473 [0,1,0,0,0,2|1,0,0]=4 15899 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)F 34a_100000742734_100000187820 [0,1,0,0,0,2|1,0,0]=4 15900 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)F 7a_100000742734_100000187820 [0,1,0,0,0,2|1,0,0]=4 15901 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)O 34a_100011995906_100000187820 [0,1,0,0,0,2|1,0,0]=4 15902 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)O 7a_100011995906_100000187820 [0,1,0,0,0,2|1,0,0]=4 15903 B13R1.3420 Cc1cc(cc(c1)NCC(=O)[O-])Br 34a_100000695972_100020667443 [0,1,0,0,0,2|1,0,0]=4 15904 B13R1.3420 Cc1cc(cc(c1)NCC(=O)[O-])C 34a_100000210930_100020667443 [0,1,0,0,0,2|1,0,0]=4 15905 B13R1.3420 Cc1cc(cc(c1)NCC(=O)[O-])Cl 34a_100012022512_100020667443 [0,1,0,0,0,2|1,0,0]=4 15906 B13R1.3420 Cc1cc(cc(c1)NCC(=O)[O-])F 34a_100000742734_100020667443 [0,1,0,0,0,2|1,0,0]=4 15907 B13R1.3420 Cc1cc(cc(c1)NCC(=O)[O-])O 34a_100011995906_100020667443 [0,1,0,0,0,2|1,0,0]=4 15908 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)Br 34a_100011999630_100000187820 [0,1,0,0,0,2|1,0,0]=4 15909 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)Br 7a_100011999630_100000187820 [0,1,0,0,0,2|1,0,0]=4 15910 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)C 34a_100000210933_100000187820 [0,1,0,0,0,2|1,0,0]=4 15911 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)C 7a_100000210933_100000187820 [0,1,0,0,0,2|1,0,0]=4 15912 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)Cl 34a_100000087485_100000187820 [0,1,0,0,0,2|1,0,0]=4 15913 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)Cl 7a_100000087485_100000187820 [0,1,0,0,0,2|1,0,0]=4 15914 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)F 34a_100011830401_100000187820 [0,1,0,0,0,2|1,0,0]=4 15915 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)F 7a_100011830401_100000187820 [0,1,0,0,0,2|1,0,0]=4 15916 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)N 34a_100011995906_100000187820 [0,1,0,0,0,2|1,0,0]=4 15917 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)N 7a_100011995906_100000187820 [0,1,0,0,0,2|1,0,0]=4 15918 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[13CH3])C 1458a_100000182991_200025704644 [0,1,0,0,0,2|0,0,0]=3 15919 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[O-])Br 34a_100011999630_100020667443 [0,1,0,0,0,2|1,0,0]=4 15920 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[O-])C 34a_100000210933_100020667443 [0,1,0,0,0,2|1,0,0]=4 15921 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[O-])Cl 34a_100000087485_100020667443 [0,1,0,0,0,2|1,0,0]=4 15922 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[O-])F 34a_100011830401_100020667443 [0,1,0,0,0,2|1,0,0]=4 15923 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[O-])N 34a_100011995906_100020667443 [0,1,0,0,0,2|1,0,0]=4 15924 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)C 62a_100000747473_100011215608 [0,1,0,0,0,2|1,0,0]=4 15925 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)C 62a_100011215608_100000747473 [0,1,0,0,0,2|1,0,0]=4 15926 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)Cl 62a_100000747473_100010172791 [0,1,0,0,0,2|1,0,0]=4 15927 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)Cl 62a_100010172791_100000747473 [0,1,0,0,0,2|1,0,0]=4 15928 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)F 62a_100000747473_100011356977 [0,1,0,0,0,2|1,0,0]=4 15929 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)F 62a_100011356977_100000747473 [0,1,0,0,0,2|1,0,0]=4 15930 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)N 62a_100000695972_100000747473 [0,1,0,0,0,2|1,0,0]=4 15931 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)N 62a_100000747473_100000695972 [0,1,0,0,0,2|1,0,0]=4 15932 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)O 62a_100000747473_100011999630 [0,1,0,0,0,2|1,0,0]=4 15933 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])C 62a_100011215608_100020667443 [0,1,0,0,0,2|1,0,0]=4 15934 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])C 62a_100020667443_100011215608 [0,1,0,0,0,2|1,0,0]=4 15935 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])Cl 62a_100010172791_100020667443 [0,1,0,0,0,2|1,0,0]=4 15936 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])Cl 62a_100020667443_100010172791 [0,1,0,0,0,2|1,0,0]=4 15937 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])F 62a_100011356977_100020667443 [0,1,0,0,0,2|1,0,0]=4 15938 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])F 62a_100020667443_100011356977 [0,1,0,0,0,2|1,0,0]=4 15939 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])N 62a_100000695972_100020667443 [0,1,0,0,0,2|1,0,0]=4 15940 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])N 62a_100020667443_100000695972 [0,1,0,0,0,2|1,0,0]=4 15941 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])O 62a_100020667443_100011999630 [0,1,0,0,0,2|1,0,0]=4 15942 B13R1.3420 [13CH3]C(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_200025704644 [0,1,0,0,0,2|1,0,0]=4 15943 B13R1.3420 [13CH3]C(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_200025704644 [0,1,0,0,0,2|1,0,0]=4 15944 B13R1.3420 [13CH3]C(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_200025704644 [0,1,0,0,0,2|1,0,0]=4 15945 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)Br)Br 1458a_100010253072_200025704644 [0,1,0,0,0,2|1,0,0]=4 15946 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)Br)F 1458a_100012357547_200025704644 [0,1,0,0,0,2|1,0,0]=4 15947 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)Cl)Cl 1458a_100000689174_200025704644 [0,1,0,0,0,2|1,0,0]=4 15948 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)F)F 1458a_100011934504_200025704644 [0,1,0,0,0,2|1,0,0]=4 15949 B13R1.3420 [13CH3]C(=O)COc1cc(cc(c1)Br)Cl 1458a_100010899942_200025704644 [0,1,0,0,0,2|1,0,0]=4 15950 B13R1.3420 [13CH3]C(=O)COc1cc(cc(c1)Cl)Cl 1458a_100000764634_200025704644 [0,1,0,0,0,2|1,0,0]=4 15951 B13R1.35 C#Cc1ccc(cc1Cl)NC(=O)C 11a_100012001888_100015343762 [0,2,0,0,0,1|1,0,0]=4 15952 B13R1.35 C#Cc1ccc(cc1Cl)NC(=O)C 1626a_100012001888_100015343762 [0,2,0,0,0,1|1,0,0]=4 15953 B13R1.35 C#Cc1ccc(cc1Cl)NC(=O)C 22a_100012001888_100000070787 [0,2,0,0,0,1|1,0,0]=4 15954 B13R1.35 C#Cc1ccc(cc1F)NC(=O)C 11a_100012001886_100015343762 [0,2,0,0,0,1|1,0,0]=4 15955 B13R1.35 C#Cc1ccc(cc1F)NC(=O)C 1626a_100012001886_100015343762 [0,2,0,0,0,1|1,0,0]=4 15956 B13R1.35 C#Cc1ccc(cc1F)NC(=O)C 22a_100012001886_100000070787 [0,2,0,0,0,1|1,0,0]=4 15957 B13R1.35 C#Cc1ccc(cc1F)NC(=O)C 527a_100012001886_100103153847 [0,2,0,0,0,1|1,0,0]=4 15958 B13R1.35 C=Cc1ccc(cc1C)NC(=O)C 271570a_100011290941_100000155607 [0,2,0,0,0,1|0,0,0]=3 15959 B13R1.35 C=Cc1ccc(cc1C)NC(=O)N 271570a_100011290941_100000238934 [0,2,0,0,0,1|1,0,0]=4 15960 B13R1.35 C=Cc1ccc(cc1F)NC(=O)C 271570a_100011290941_100011219590 [0,2,0,0,0,1|1,0,0]=4 15961 B13R1.35 C=Cc1ccc(nc1C)NC(=O)C 271570a_100011290941_100000187074 [0,2,0,0,0,1|1,0,0]=4 15962 B13R1.35 C=Cc1cnc(cc1C)NC(=O)C 271570a_100011290941_100011934553 [0,2,0,0,0,1|1,0,0]=4 15963 B13R1.35 CC(=Cc1ccc(c(c1)C)C#N)C 271570a_100102525489_100000687762 [0,2,0,0,0,1|1,0,0]=4 15964 B13R1.35 CC(=Cc1ccc(c(c1)C)C=O)C 271570a_100102525489_100000687586 [0,2,0,0,0,1|1,0,0]=4 15965 B13R1.35 CC(=Cc1ccc(c(c1)C)CF)C 271570a_100102525489_200010711859 [0,2,0,0,0,1|1,0,0]=4 15966 B13R1.35 CC(=Cc1ccc(c(c1)C)CN)C 271570a_100102525489_100000753881 [0,2,0,0,0,1|1,0,0]=4 15967 B13R1.35 CC(=Cc1ccc(c(c1)C)CO)C 271570a_100102525489_100000748258 [0,2,0,0,0,1|1,0,0]=4 15968 B13R1.35 CC(=Cc1ccc(c(c1)C)NN)C 271570a_100102525489_100000751375 [0,2,0,0,0,1|1,0,0]=4 15969 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)C#N 1458a_100000070787_100012355662 [0,2,0,0,0,1|1,0,0]=4 15970 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010141077_200025704644 [0,2,0,0,0,1|1,0,0]=4 15971 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010141077_200025704644 [0,2,0,0,0,1|1,0,0]=4 15972 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_200000080089_200025704644 [0,2,0,0,0,1|0,0,0]=3 15973 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_200000080089_200025704644 [0,2,0,0,0,1|0,0,0]=3 15974 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)C#N 1458a_100000070787_100010147163 [0,2,0,0,0,1|1,0,0]=4 15975 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_200000080078_200025704644 [0,2,0,0,0,1|1,0,0]=4 15976 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_200000080078_200025704644 [0,2,0,0,0,1|1,0,0]=4 15977 B13R1.35 CC(=O)Cc1ccc(c(c1)F)C#N 1458a_100000070787_100011217145 [0,2,0,0,0,1|1,0,0]=4 15978 B13R1.35 CC(=O)Cc1ccc(c(c1)F)C#N 1458a_100009864126_200000210301 [0,2,0,0,0,1|1,0,0]=4 15979 B13R1.35 CC(=O)Cc1ccc(c(c1)F)C=O 1458a_100000070787_100010142638 [0,2,0,0,0,1|1,0,0]=4 15980 B13R1.35 CC(=O)Nc1cc(c(cn1)S[13CH3])C 62a_200025704644_100011934553 [0,2,0,0,0,1|1,0,0]=4 15981 B13R1.35 CC(=O)Nc1ccc(c(c1)Br)C#N 11a_100000689153_100015343762 [0,2,0,0,0,1|1,0,0]=4 15982 B13R1.35 CC(=O)Nc1ccc(c(c1)Br)C#N 1626a_100000689153_100015343762 [0,2,0,0,0,1|1,0,0]=4 15983 B13R1.35 CC(=O)Nc1ccc(c(c1)C)C#N 11a_100011999795_100015343762 [0,2,0,0,0,1|0,0,0]=3 15984 B13R1.35 CC(=O)Nc1ccc(c(c1)C)C#N 1626a_100011999795_100015343762 [0,2,0,0,0,1|0,0,0]=3 15985 B13R1.35 CC(=O)Nc1ccc(c(c1)C)CO 22a_100000102464_100000070787 [0,2,0,0,0,1|0,0,0]=3 15986 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 34a_100012186693_200025704644 [0,2,0,0,0,1|0,0,0]=3 15987 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 7a_100012186693_200025704644 [0,2,0,0,0,1|0,0,0]=3 15988 B13R1.35 CC(=O)Nc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000155607 [0,2,0,0,0,1|0,0,0]=3 15989 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)C#N 11a_100000211542_100015343762 [0,2,0,0,0,1|1,0,0]=4 15990 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)C#N 1626a_100000211542_100015343762 [0,2,0,0,0,1|1,0,0]=4 15991 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)CO 22a_100000689119_100000070787 [0,2,0,0,0,1|1,0,0]=4 15992 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 34a_100011215158_200025704644 [0,2,0,0,0,1|1,0,0]=4 15993 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 7a_100011215158_200025704644 [0,2,0,0,0,1|1,0,0]=4 15994 B13R1.35 CC(=O)Nc1ccc(c(c1)F)C#N 11a_100000765089_100015343762 [0,2,0,0,0,1|1,0,0]=4 15995 B13R1.35 CC(=O)Nc1ccc(c(c1)F)C#N 1626a_100000765089_100015343762 [0,2,0,0,0,1|1,0,0]=4 15996 B13R1.35 CC(=O)Nc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100011219590 [0,2,0,0,0,1|1,0,0]=4 15997 B13R1.35 CC(=O)Nc1ccc(c(n1)C)S[13CH3] 62a_100000187074_200025704644 [0,2,0,0,0,1|1,0,0]=4 15998 B13R1.35 CC(=O)Nc1ccc(c(n1)C)S[13CH3] 62a_200025704644_100000187074 [0,2,0,0,0,1|1,0,0]=4 15999 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 11a_100000766362_100015343762 [0,2,0,0,0,1|1,0,0]=4 16000 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 1626a_100000766362_100015343762 [0,2,0,0,0,1|1,0,0]=4 16001 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 22a_100000766362_100000070787 [0,2,0,0,0,1|1,0,0]=4 16002 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 527a_100000766362_100103153847 [0,2,0,0,0,1|1,0,0]=4 16003 B13R1.35 CNc1ccc(cc1C)C=C(C)C 271570a_100102525489_100000221803 [0,2,0,0,0,1|1,0,0]=4 16004 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100000070787_200011397701 [0,2,0,0,0,1|1,0,0]=4 16005 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100011202338_200000210301 [0,2,0,0,0,1|1,0,0]=4 16006 B13R1.35 COc1ccc(cc1Br)CC(=O)C 34a_100010141077_200000210301 [0,2,0,0,0,1|1,0,0]=4 16007 B13R1.35 COc1ccc(cc1Br)CC(=O)C 7a_100010141077_200000210301 [0,2,0,0,0,1|1,0,0]=4 16008 B13R1.35 COc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100011202338_200025704644 [0,2,0,0,0,1|1,0,0]=4 16009 B13R1.35 COc1ccc(cc1Br)NC(=O)C 11a_100000187427_100015343762 [0,2,0,0,0,1|1,0,0]=4 16010 B13R1.35 COc1ccc(cc1Br)NC(=O)C 1626a_100000187427_100015343762 [0,2,0,0,0,1|1,0,0]=4 16011 B13R1.35 COc1ccc(cc1Br)NC(=O)C 22a_100000187427_100000070787 [0,2,0,0,0,1|1,0,0]=4 16012 B13R1.35 COc1ccc(cc1Br)NC(=O)C 527a_100000187427_100103153847 [0,2,0,0,0,1|1,0,0]=4 16013 B13R1.35 COc1ccc(cc1C)C=C(C)C 271570a_100102525489_100011219705 [0,2,0,0,0,1|1,0,0]=4 16014 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100000070787_200011290836 [0,2,0,0,0,1|0,0,0]=3 16015 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100011356478_200000210301 [0,2,0,0,0,1|0,0,0]=3 16016 B13R1.35 COc1ccc(cc1C)CC(=O)C 34a_200000080089_200000210301 [0,2,0,0,0,1|0,0,0]=3 16017 B13R1.35 COc1ccc(cc1C)CC(=O)C 7a_200000080089_200000210301 [0,2,0,0,0,1|0,0,0]=3 16018 B13R1.35 COc1ccc(cc1C)CC(=O)[13CH3] 1458a_100011356478_200025704644 [0,2,0,0,0,1|0,0,0]=3 16019 B13R1.35 COc1ccc(cc1C)NC(=O)C 11a_100000743268_100015343762 [0,2,0,0,0,1|0,0,0]=3 16020 B13R1.35 COc1ccc(cc1C)NC(=O)C 1626a_100000743268_100015343762 [0,2,0,0,0,1|0,0,0]=3 16021 B13R1.35 COc1ccc(cc1C)NC(=O)C 22a_100000743268_100000070787 [0,2,0,0,0,1|0,0,0]=3 16022 B13R1.35 COc1ccc(cc1C)NC(=O)C 34a_100012186693_200000210301 [0,2,0,0,0,1|0,0,0]=3 16023 B13R1.35 COc1ccc(cc1C)NC(=O)C 527a_100000743268_100103153847 [0,2,0,0,0,1|0,0,0]=3 16024 B13R1.35 COc1ccc(cc1C)NC(=O)C 7a_100012186693_200000210301 [0,2,0,0,0,1|0,0,0]=3 16025 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100000070787_100000693707 [0,2,0,0,0,1|1,0,0]=4 16026 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100012026953_200000210301 [0,2,0,0,0,1|1,0,0]=4 16027 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 34a_200000080078_200000210301 [0,2,0,0,0,1|1,0,0]=4 16028 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 7a_200000080078_200000210301 [0,2,0,0,0,1|1,0,0]=4 16029 B13R1.35 COc1ccc(cc1Cl)CC(=O)[13CH3] 1458a_100012026953_200025704644 [0,2,0,0,0,1|1,0,0]=4 16030 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 11a_100000211044_100015343762 [0,2,0,0,0,1|1,0,0]=4 16031 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 1626a_100000211044_100015343762 [0,2,0,0,0,1|1,0,0]=4 16032 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 22a_100000211044_100000070787 [0,2,0,0,0,1|1,0,0]=4 16033 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 34a_100011215158_200000210301 [0,2,0,0,0,1|1,0,0]=4 16034 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 527a_100000211044_100103153847 [0,2,0,0,0,1|1,0,0]=4 16035 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 7a_100011215158_200000210301 [0,2,0,0,0,1|1,0,0]=4 16036 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000070787_100000189595 [0,2,0,0,0,1|1,0,0]=4 16037 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000204603_200000210301 [0,2,0,0,0,1|1,0,0]=4 16038 B13R1.35 COc1ccc(cc1F)CC(=O)[13CH3] 1458a_100000204603_200025704644 [0,2,0,0,0,1|1,0,0]=4 16039 B13R1.35 COc1ccc(cc1F)NC(=O)C 11a_100000740183_100015343762 [0,2,0,0,0,1|1,0,0]=4 16040 B13R1.35 COc1ccc(cc1F)NC(=O)C 1626a_100000740183_100015343762 [0,2,0,0,0,1|1,0,0]=4 16041 B13R1.35 COc1ccc(cc1F)NC(=O)C 22a_100000740183_100000070787 [0,2,0,0,0,1|1,0,0]=4 16042 B13R1.35 COc1ccc(cc1F)NC(=O)C 527a_100000740183_100103153847 [0,2,0,0,0,1|1,0,0]=4 16043 B13R1.35 COc1ccc(cc1I)NC(=O)C 11a_100011356947_100015343762 [0,2,0,0,0,1|1,0,0]=4 16044 B13R1.35 COc1ccc(cc1I)NC(=O)C 1626a_100011356947_100015343762 [0,2,0,0,0,1|1,0,0]=4 16045 B13R1.35 COc1ccc(cc1I)NC(=O)C 22a_100011356947_100000070787 [0,2,0,0,0,1|1,0,0]=4 16046 B13R1.35 COc1ccc(cc1I)NC(=O)C 527a_100011356947_100103153847 [0,2,0,0,0,1|1,0,0]=4 16047 B13R1.35 COc1ccc(cc1O)CC(=O)C 1458a_100000049095_200000210301 [0,2,0,0,0,1|1,0,0]=4 16048 B13R1.35 COc1ccc(cc1O)CC(=O)C 271570a_203496583355_100011493462 [0,2,0,0,0,1|1,0,0]=4 16049 B13R1.35 COc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000049095_200025704644 [0,2,0,0,0,1|1,0,0]=4 16050 B13R1.35 COc1ccc(cc1O)NC(=O)C 22a_100000211920_100000070787 [0,2,0,0,0,1|1,0,0]=4 16051 B13R1.35 COc1ccc(cc1O)NC(=O)C 527a_100000211920_100103153847 [0,2,0,0,0,1|1,0,0]=4 16052 B13R1.35 CSc1ccc(cc1C)NC(=O)C 62a_200000210301_100000155607 [0,2,0,0,0,1|0,0,0]=3 16053 B13R1.35 CSc1ccc(cc1C)NC(=O)N 62a_200000210301_100000238934 [0,2,0,0,0,1|1,0,0]=4 16054 B13R1.35 CSc1ccc(cc1F)NC(=O)C 11a_100000762756_100015343762 [0,2,0,0,0,1|1,0,0]=4 16055 B13R1.35 CSc1ccc(cc1F)NC(=O)C 1626a_100000762756_100015343762 [0,2,0,0,0,1|1,0,0]=4 16056 B13R1.35 CSc1ccc(cc1F)NC(=O)C 22a_100000762756_100000070787 [0,2,0,0,0,1|1,0,0]=4 16057 B13R1.35 CSc1ccc(cc1F)NC(=O)C 527a_100000762756_100103153847 [0,2,0,0,0,1|1,0,0]=4 16058 B13R1.35 CSc1ccc(cc1F)NC(=O)C 62a_200000210301_100011219590 [0,2,0,0,0,1|1,0,0]=4 16059 B13R1.35 CSc1ccc(nc1C)NC(=O)C 62a_100000187074_200000210301 [0,2,0,0,0,1|1,0,0]=4 16060 B13R1.35 CSc1ccc(nc1C)NC(=O)C 62a_200000210301_100000187074 [0,2,0,0,0,1|1,0,0]=4 16061 B13R1.35 CSc1cnc(cc1C)NC(=O)C 62a_200000210301_100011934553 [0,2,0,0,0,1|1,0,0]=4 16062 B13R1.35 Cc1cc(ccc1S[13CH3])NC(=O)N 62a_200025704644_100000238934 [0,2,0,0,0,1|1,0,0]=4 16063 B13R1.35 [13CH3]C(=O)Cc1ccc(c(c1)F)C#N 1458a_100009864126_200025704644 [0,2,0,0,0,1|1,0,0]=4 16064 B13R1.52 C#Cc1cc(ccc1C)NC(=O)C 11a_200012017271_100015343762 [0,2,0,0,0,1|0,0,1]=4 16065 B13R1.52 C#Cc1cc(ccc1C)NC(=O)C 1626a_200012017271_100015343762 [0,2,0,0,0,1|0,0,1]=4 16066 B13R1.52 C#Cc1cc(ccc1C)NC(=O)C 22a_200012017271_100000070787 [0,2,0,0,0,1|0,0,1]=4 16067 B13R1.52 C#Cc1cc(ccc1C)NC(=O)C 527a_200012017271_100103153847 [0,2,0,0,0,1|0,0,1]=4 16068 B13R1.52 C#Cc1cc(ccc1Cl)NC(=O)C 11a_103624766972_100015343762 [0,2,0,0,0,1|0,0,1]=4 16069 B13R1.52 C#Cc1cc(ccc1Cl)NC(=O)C 1626a_103624766972_100015343762 [0,2,0,0,0,1|0,0,1]=4 16070 B13R1.52 C#Cc1cc(ccc1Cl)NC(=O)C 22a_103624766972_100000070787 [0,2,0,0,0,1|0,0,1]=4 16071 B13R1.52 C#Cc1cc(ccc1Cl)NC(=O)C 527a_103624766972_100103153847 [0,2,0,0,0,1|0,0,1]=4 16072 B13R1.52 C#Cc1cc(ccc1F)NC(=O)C 11a_200011999510_100015343762 [0,2,0,0,0,1|0,0,1]=4 16073 B13R1.52 C#Cc1cc(ccc1F)NC(=O)C 1626a_200011999510_100015343762 [0,2,0,0,0,1|0,0,1]=4 16074 B13R1.52 C#Cc1cc(ccc1F)NC(=O)C 22a_200011999510_100000070787 [0,2,0,0,0,1|0,0,1]=4 16075 B13R1.52 C#Cc1cc(ccc1F)NC(=O)C 527a_200011999510_100103153847 [0,2,0,0,0,1|0,0,1]=4 16076 B13R1.52 C=Cc1cc(ccc1C)NC(=O)C 271570a_100011290941_100011221169 [0,2,0,0,0,1|0,0,1]=4 16077 B13R1.52 C=Cc1cc(ccc1C)OC(=O)C 271570a_100011290941_200025702335 [0,2,0,0,0,1|0,0,1]=4 16078 B13R1.52 C=Cc1cc(ccc1F)NC(=O)C 271570a_100011290941_100012348134 [0,2,0,0,0,1|0,0,1]=4 16079 B13R1.52 C=Cc1cc(ccc1O)CC(=O)C 271570a_100011290941_100010141077 [0,2,0,0,0,1|0,0,1]=4 16080 B13R1.52 CC(=Cc1ccc(c(c1)CN)F)C 271570a_100102525489_100009815772 [0,2,0,0,0,1|1,0,0]=4 16081 B13R1.52 CC(=Cc1ccc(c(c1)CN)N)C 271570a_100102525489_100012349119 [0,2,0,0,0,1|1,0,0]=4 16082 B13R1.52 CC(=Cc1ccc(c(c1)CN)O)C 271570a_100102525489_100000730032 [0,2,0,0,0,1|1,0,0]=4 16083 B13R1.52 CC(=Cc1ccc(c(c1)CO)Br)C 271570a_100102525489_100012359683 [0,2,0,0,0,1|1,0,0]=4 16084 B13R1.52 CC(=Cc1ccc(c(c1)CO)C)C 271570a_100102525489_100000700630 [0,2,0,0,0,1|1,0,0]=4 16085 B13R1.52 CC(=Cc1ccc(c(c1)CO)Cl)C 271570a_100102525489_100010128486 [0,2,0,0,0,1|1,0,0]=4 16086 B13R1.52 CC(=Cc1ccc(c(c1)CO)F)C 271570a_100102525489_100000049604 [0,2,0,0,0,1|1,0,0]=4 16087 B13R1.52 CC(=Cc1ccc(c(c1)CO)N)C 271570a_100102525489_100012353972 [0,2,0,0,0,1|1,0,0]=4 16088 B13R1.52 CC(=Cc1ccc(c(c1)CO)O)C 271570a_100102525489_100000184703 [0,2,0,0,0,1|1,0,0]=4 16089 B13R1.52 CC(=O)Cc1ccc(c(c1)C#N)Br 1458a_100000070787_100010128727 [0,2,0,0,0,1|0,0,1]=4 16090 B13R1.52 CC(=O)Cc1ccc(c(c1)C#N)Cl 1458a_100000070787_100010147165 [0,2,0,0,0,1|0,0,1]=4 16091 B13R1.52 CC(=O)Cc1ccc(c(c1)C#N)F 1458a_100000070787_100000687583 [0,2,0,0,0,1|0,0,1]=4 16092 B13R1.52 CC(=O)Cc1ccc(c(c1)C#N)F 1458a_100011218018_200000210301 [0,2,0,0,0,1|0,0,1]=4 16093 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010141077_200025704644 [0,2,0,0,0,1|0,0,0]=3 16094 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010141077 [0,2,0,0,0,1|0,0,0]=3 16095 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)Br 11a_100011934039_100015343762 [0,2,0,0,0,1|0,0,1]=4 16096 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)Br 1626a_100011934039_100015343762 [0,2,0,0,0,1|0,0,1]=4 16097 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)Br 22a_100011934039_100000070787 [0,2,0,0,0,1|0,0,1]=4 16098 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)Br 527a_100011934039_100103153847 [0,2,0,0,0,1|0,0,1]=4 16099 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)C 11a_100011216687_100015343762 [0,2,0,0,0,1|0,0,1]=4 16100 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)C 1626a_100011216687_100015343762 [0,2,0,0,0,1|0,0,1]=4 16101 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)C 22a_100011216687_100000070787 [0,2,0,0,0,1|0,0,1]=4 16102 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)C 527a_100011216687_100103153847 [0,2,0,0,0,1|0,0,1]=4 16103 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)Cl 11a_100000239497_100015343762 [0,2,0,0,0,1|0,0,1]=4 16104 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)Cl 1626a_100000239497_100015343762 [0,2,0,0,0,1|0,0,1]=4 16105 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)Cl 22a_100000239497_100000070787 [0,2,0,0,0,1|0,0,1]=4 16106 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)F 11a_100000748589_100015343762 [0,2,0,0,0,1|0,0,1]=4 16107 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)F 1626a_100000748589_100015343762 [0,2,0,0,0,1|0,0,1]=4 16108 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)F 22a_100000748589_100000070787 [0,2,0,0,0,1|0,0,1]=4 16109 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)F 527a_100000748589_100103153847 [0,2,0,0,0,1|0,0,1]=4 16110 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)O 22a_100011249283_100000070787 [0,2,0,0,0,1|0,0,1]=4 16111 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)O 527a_100011249283_100103153847 [0,2,0,0,0,1|0,0,1]=4 16112 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)Br 22a_100012347228_100000070787 [0,2,0,0,0,1|0,0,0]=3 16113 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)Br 527a_100012347228_100103153847 [0,2,0,0,0,1|0,0,0]=3 16114 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)Cl 22a_100011273577_100000070787 [0,2,0,0,0,1|0,0,0]=3 16115 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)F 22a_100011218011_100000070787 [0,2,0,0,0,1|0,0,0]=3 16116 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)F 527a_100011218011_100103153847 [0,2,0,0,0,1|0,0,0]=3 16117 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])C 34a_100000739390_200025704644 [0,2,0,0,0,1|0,0,0]=3 16118 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])C 7a_100000739390_200025704644 [0,2,0,0,0,1|0,0,0]=3 16119 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])Cl 34a_100000742996_200025704644 [0,2,0,0,0,1|0,0,0]=3 16120 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])F 34a_106454645589_200025704644 [0,2,0,0,0,1|0,0,0]=3 16121 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 34a_100011935283_200025704644 [0,2,0,0,0,1|0,0,0]=3 16122 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 7a_100011935283_200025704644 [0,2,0,0,0,1|0,0,0]=3 16123 B13R1.52 CC(=O)Nc1ccc(c(c1)S[13CH3])C 62a_200025704644_100011221169 [0,2,0,0,0,1|0,0,0]=3 16124 B13R1.52 CC(=O)Nc1ccc(c(c1)S[13CH3])F 62a_200025704644_100012348134 [0,2,0,0,0,1|0,0,0]=3 16125 B13R1.52 CC(=O)Oc1ccc(c(c1)C=O)O 271570a_203496583355_100009816906 [0,2,0,0,0,1|0,0,1]=4 16126 B13R1.52 CC(=O)Oc1ccc(c(c1)S[13CH3])C 62a_200025704644_200025702335 [0,2,0,0,0,1|0,0,0]=3 16127 B13R1.52 CCc1cc(ccc1Br)C=C(C)C 271570a_100102525489_100010244631 [0,2,0,0,0,1|1,0,0]=4 16128 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 11a_100010109747_100015343762 [0,2,0,0,0,1|0,0,0]=3 16129 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 1626a_100010109747_100015343762 [0,2,0,0,0,1|0,0,0]=3 16130 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 22a_100010109747_100000070787 [0,2,0,0,0,1|0,0,0]=3 16131 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 527a_100010109747_100103153847 [0,2,0,0,0,1|0,0,0]=3 16132 B13R1.52 CCc1cc(ccc1F)C=C(C)C 271570a_100102525489_100010244625 [0,2,0,0,0,1|1,0,0]=4 16133 B13R1.52 CCc1cc(ccc1N)C=C(C)C 271570a_100102525489_100000686106 [0,2,0,0,0,1|1,0,0]=4 16134 B13R1.52 CCc1cc(ccc1O)C=C(C)C 271570a_100102525489_100012338938 [0,2,0,0,0,1|1,0,0]=4 16135 B13R1.52 CNc1cc(ccc1C)C=C(C)C 271570a_100102525489_100020629602 [0,2,0,0,0,1|1,0,0]=4 16136 B13R1.52 CNc1cc(ccc1C)NC(=O)C 34a_100000739390_200000210301 [0,2,0,0,0,1|0,0,0]=3 16137 B13R1.52 CNc1cc(ccc1C)NC(=O)C 7a_100000739390_200000210301 [0,2,0,0,0,1|0,0,0]=3 16138 B13R1.52 CNc1cc(ccc1Cl)NC(=O)C 34a_100000742996_200000210301 [0,2,0,0,0,1|0,0,0]=3 16139 B13R1.52 CNc1cc(ccc1F)C=C(C)C 271570a_100102525489_100011314990 [0,2,0,0,0,1|1,0,0]=4 16140 B13R1.52 CNc1cc(ccc1F)NC(=O)C 34a_106454645589_200000210301 [0,2,0,0,0,1|0,0,0]=3 16141 B13R1.52 CNc1cc(ccc1N)C=C(C)C 271570a_100102525489_100000694363 [0,2,0,0,0,1|1,0,0]=4 16142 B13R1.52 COc1cc(ccc1Br)C=C(C)C 271570a_100102525489_100012353699 [0,2,0,0,0,1|1,0,0]=4 16143 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [0,2,0,0,0,1|0,0,0]=3 16144 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [0,2,0,0,0,1|0,0,0]=3 16145 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [0,2,0,0,0,1|0,0,0]=3 16146 B13R1.52 COc1cc(ccc1Br)NC(=O)C 11a_100000765947_100015343762 [0,2,0,0,0,1|0,0,0]=3 16147 B13R1.52 COc1cc(ccc1Br)NC(=O)C 1626a_100000765947_100015343762 [0,2,0,0,0,1|0,0,0]=3 16148 B13R1.52 COc1cc(ccc1Br)NC(=O)C 22a_100000765947_100000070787 [0,2,0,0,0,1|0,0,0]=3 16149 B13R1.52 COc1cc(ccc1Br)NC(=O)C 527a_100000765947_100103153847 [0,2,0,0,0,1|0,0,0]=3 16150 B13R1.52 COc1cc(ccc1C)C=C(C)C 271570a_100102525489_100011830276 [0,2,0,0,0,1|1,0,0]=4 16151 B13R1.52 COc1cc(ccc1C)NC(=O)C 11a_100011279678_100015343762 [0,2,0,0,0,1|0,0,0]=3 16152 B13R1.52 COc1cc(ccc1C)NC(=O)C 1626a_100011279678_100015343762 [0,2,0,0,0,1|0,0,0]=3 16153 B13R1.52 COc1cc(ccc1C)NC(=O)C 22a_100011279678_100000070787 [0,2,0,0,0,1|0,0,0]=3 16154 B13R1.52 COc1cc(ccc1C)NC(=O)C 527a_100011279678_100103153847 [0,2,0,0,0,1|0,0,0]=3 16155 B13R1.52 COc1cc(ccc1Cl)C=C(C)C 271570a_100102525489_100011356853 [0,2,0,0,0,1|1,0,0]=4 16156 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [0,2,0,0,0,1|0,0,0]=3 16157 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 11a_100000742311_100015343762 [0,2,0,0,0,1|0,0,0]=3 16158 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 1626a_100000742311_100015343762 [0,2,0,0,0,1|0,0,0]=3 16159 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 22a_100000742311_100000070787 [0,2,0,0,0,1|0,0,0]=3 16160 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 34a_100011935283_200000210301 [0,2,0,0,0,1|0,0,0]=3 16161 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 527a_100000742311_100103153847 [0,2,0,0,0,1|0,0,0]=3 16162 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 7a_100011935283_200000210301 [0,2,0,0,0,1|0,0,0]=3 16163 B13R1.52 COc1cc(ccc1F)C=C(C)C 271570a_100102525489_100011934186 [0,2,0,0,0,1|1,0,0]=4 16164 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [0,2,0,0,0,1|0,0,0]=3 16165 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [0,2,0,0,0,1|0,0,0]=3 16166 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [0,2,0,0,0,1|0,0,0]=3 16167 B13R1.52 COc1cc(ccc1F)NC(=O)C 11a_100000701188_100015343762 [0,2,0,0,0,1|0,0,0]=3 16168 B13R1.52 COc1cc(ccc1F)NC(=O)C 1626a_100000701188_100015343762 [0,2,0,0,0,1|0,0,0]=3 16169 B13R1.52 COc1cc(ccc1F)NC(=O)C 22a_100000701188_100000070787 [0,2,0,0,0,1|0,0,0]=3 16170 B13R1.52 COc1cc(ccc1F)NC(=O)C 527a_100000701188_100103153847 [0,2,0,0,0,1|0,0,0]=3 16171 B13R1.52 COc1cc(ccc1I)NC(=O)C 11a_100000746945_100015343762 [0,2,0,0,0,1|0,0,0]=3 16172 B13R1.52 COc1cc(ccc1I)NC(=O)C 1626a_100000746945_100015343762 [0,2,0,0,0,1|0,0,0]=3 16173 B13R1.52 COc1cc(ccc1I)NC(=O)C 22a_100000746945_100000070787 [0,2,0,0,0,1|0,0,0]=3 16174 B13R1.52 COc1cc(ccc1I)NC(=O)C 527a_100000746945_100103153847 [0,2,0,0,0,1|0,0,0]=3 16175 B13R1.52 COc1cc(ccc1N)C=C(C)C 271570a_100102525489_100011279103 [0,2,0,0,0,1|1,0,0]=4 16176 B13R1.52 COc1cc(ccc1O)C=C(C)C 271570a_100102525489_100000694246 [0,2,0,0,0,1|1,0,0]=4 16177 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [0,2,0,0,0,1|0,0,0]=3 16178 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [0,2,0,0,0,1|0,0,0]=3 16179 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [0,2,0,0,0,1|0,0,0]=3 16180 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [0,2,0,0,0,1|0,0,0]=3 16181 B13R1.52 COc1nc(ccc1Br)CC(=O)C 1458a_100000070787_200010066506 [0,2,0,0,0,1|1,0,0]=4 16182 B13R1.52 CSc1cc(ccc1C)NC(=O)C 62a_200000210301_100011221169 [0,2,0,0,0,1|0,0,0]=3 16183 B13R1.52 CSc1cc(ccc1C)OC(=O)C 62a_200000210301_200025702335 [0,2,0,0,0,1|0,0,0]=3 16184 B13R1.52 CSc1cc(ccc1F)C=C(C)C 271570a_100102525489_100010341305 [0,2,0,0,0,1|1,0,0]=4 16185 B13R1.52 CSc1cc(ccc1F)NC(=O)C 62a_200000210301_100012348134 [0,2,0,0,0,1|0,0,0]=3 16186 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_100010141077_200000210301 [0,2,0,0,0,1|0,0,0]=3 16187 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_200000210301_100010141077 [0,2,0,0,0,1|0,0,0]=3 16188 B13R1.52 [13CH3]C(=O)Cc1ccc(c(c1)C#N)F 1458a_100011218018_200025704644 [0,2,0,0,0,1|0,0,1]=4 16189 B13R1.510 CC(=C(C)c1ccc(c(c1)C)Br)C 271570a_200000049429_100009813585 [0,2,0,0,0,1|1,0,0]=4 16190 B13R1.510 CC(=C(C)c1ccc(c(c1)C)C)C 271570a_200000049429_100011215607 [0,2,0,0,0,1|1,0,0]=4 16191 B13R1.510 CC(=C(C)c1ccc(c(c1)C)Cl)C 271570a_200000049429_100000049509 [0,2,0,0,0,1|1,0,0]=4 16192 B13R1.510 CC(=C(C)c1ccc(c(c1)C)F)C 271570a_200000049429_100011218330 [0,2,0,0,0,1|1,0,0]=4 16193 B13R1.510 CC(=C(C)c1ccc(c(c1)C)N)C 271570a_200000049429_100000211769 [0,2,0,0,0,1|1,0,0]=4 16194 B13R1.510 CC(=C(C)c1ccc(c(c1)C)O)C 271570a_200000049429_100000186361 [0,2,0,0,0,1|1,0,0]=4 16195 B13R1.510 CC(=O)C(O)c1ccc(c(c1)F)F 1458a_100011217530_200000210301 [0,2,0,0,0,1|1,0,0]=4 16196 B13R1.510 CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200000210301 [0,2,0,0,0,1|1,0,0]=4 16197 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Br)C 11a_100000707694_100015343762 [0,2,0,0,0,1|1,0,0]=4 16198 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Br)C 1626a_100000707694_100015343762 [0,2,0,0,0,1|1,0,0]=4 16199 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Br)C 527a_100000707694_100103153847 [0,2,0,0,0,1|1,0,0]=4 16200 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Br 11a_100102888905_100015343762 [0,2,0,0,0,1|0,0,0]=3 16201 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Br 1626a_100102888905_100015343762 [0,2,0,0,0,1|0,0,0]=3 16202 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Br 22a_100102888905_100000070787 [0,2,0,0,0,1|0,0,0]=3 16203 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Br 527a_100102888905_100103153847 [0,2,0,0,0,1|0,0,0]=3 16204 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Cl 11a_114849113799_100015343762 [0,2,0,0,0,1|0,0,0]=3 16205 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Cl 1626a_114849113799_100015343762 [0,2,0,0,0,1|0,0,0]=3 16206 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Cl 22a_114849113799_100000070787 [0,2,0,0,0,1|0,0,0]=3 16207 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)F 11a_100011756966_100015343762 [0,2,0,0,0,1|0,0,0]=3 16208 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)F 1626a_100011756966_100015343762 [0,2,0,0,0,1|0,0,0]=3 16209 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)F 22a_100011756966_100000070787 [0,2,0,0,0,1|0,0,0]=3 16210 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)F 527a_100011756966_100103153847 [0,2,0,0,0,1|0,0,0]=3 16211 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Cl)C 11a_100000220120_100015343762 [0,2,0,0,0,1|1,0,0]=4 16212 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Cl)C 1626a_100000220120_100015343762 [0,2,0,0,0,1|1,0,0]=4 16213 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Cl)C 22a_100000220120_100000070787 [0,2,0,0,0,1|1,0,0]=4 16214 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Cl)Cl 11a_100000219944_100015343762 [0,2,0,0,0,1|1,0,0]=4 16215 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Cl)Cl 1626a_100000219944_100015343762 [0,2,0,0,0,1|1,0,0]=4 16216 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Cl)F 11a_100000697440_100015343762 [0,2,0,0,0,1|1,0,0]=4 16217 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Cl)F 1626a_100000697440_100015343762 [0,2,0,0,0,1|1,0,0]=4 16218 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Cl)F 22a_100000697440_100000070787 [0,2,0,0,0,1|1,0,0]=4 16219 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)Br 11a_100012285320_100015343762 [0,2,0,0,0,1|1,0,0]=4 16220 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)Br 1626a_100012285320_100015343762 [0,2,0,0,0,1|1,0,0]=4 16221 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)C 11a_100160572069_100015343762 [0,2,0,0,0,1|1,0,0]=4 16222 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)C 1626a_100160572069_100015343762 [0,2,0,0,0,1|1,0,0]=4 16223 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)C 22a_100160572069_100000070787 [0,2,0,0,0,1|1,0,0]=4 16224 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)C 527a_100160572069_100103153847 [0,2,0,0,0,1|1,0,0]=4 16225 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)F 11a_100000221014_100015343762 [0,2,0,0,0,1|1,0,0]=4 16226 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)F 1626a_100000221014_100015343762 [0,2,0,0,0,1|1,0,0]=4 16227 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)F 22a_100000221014_100000070787 [0,2,0,0,0,1|1,0,0]=4 16228 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)F)F 1458a_100011217530_200025704644 [0,2,0,0,0,1|1,0,0]=4 16229 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200025704644 [0,2,0,0,0,1|1,0,0]=4 16230 B13R1.518 Cc1cc(ccc1Cl)NS(=O)(=O)C 40a_100000187808_100000738038 [0,2,0,0,0,1|1,0,0]=4 16231 B13R1.518 Cc1cc(ccc1F)NS(=O)(=O)C 40a_100000750164_100000738038 [0,2,0,0,0,1|1,0,0]=4 16232 B13R1.518 Cc1cc(ccc1I)NS(=O)(=O)C 40a_100000198070_100000738038 [0,2,0,0,0,1|1,0,0]=4 16233 B13R1.518 Cc1cc(ccc1O)NS(=O)(=O)C 40a_100011218179_100000738038 [0,2,0,0,0,1|1,0,0]=4 16234 B13R1.518 Cc1ccc(cc1C)NS(=O)(=O)C 40a_100000724040_100000738038 [0,2,0,0,0,1|1,0,0]=4 16235 B13R1.876 CC(=Cc1cc(c(cc1Br)F)C)C 271570a_100102525489_200009814773 [0,2,0,0,0,1|1,0,0]=4 16236 B13R1.876 CC(=Cc1cc(c(cc1C)Br)C)C 271570a_100102525489_100011356911 [0,2,0,0,0,1|1,0,0]=4 16237 B13R1.876 CC(=Cc1cc(c(cc1C)C)C)C 271570a_100102525489_100000759388 [0,2,0,0,0,1|1,0,0]=4 16238 B13R1.876 CC(=Cc1cc(c(cc1C)Cl)C)C 271570a_100102525489_100012357408 [0,2,0,0,0,1|1,0,0]=4 16239 B13R1.876 CC(=Cc1cc(c(cc1C)F)C)C 271570a_100102525489_100010212296 [0,2,0,0,0,1|1,0,0]=4 16240 B13R1.876 CC(=Cc1cc(c(cc1C)N)C)C 271570a_100102525489_100011934712 [0,2,0,0,0,1|1,0,0]=4 16241 B13R1.876 CC(=Cc1cc(c(cc1C)O)C)C 271570a_100102525489_100000698207 [0,2,0,0,0,1|1,0,0]=4 16242 B13R1.876 CC(=Cc1cc(c(cc1Cl)Br)C)C 271570a_100102525489_100010259621 [0,2,0,0,0,1|1,0,0]=4 16243 B13R1.876 CC(=Cc1cc(c(cc1F)Br)C)C 271570a_100102525489_200009814772 [0,2,0,0,0,1|1,0,0]=4 16244 B13R1.876 CC(=Cc1cc(c(cc1F)C)C)C 271570a_100102525489_100010197417 [0,2,0,0,0,1|1,0,0]=4 16245 B13R1.876 CC(=Cc1cc(c(cc1F)F)C)C 271570a_100102525489_100000692463 [0,2,0,0,0,1|1,0,0]=4 16246 B13R1.876 CC(=Cc1cc(c(cc1F)N)C)C 271570a_100102525489_100000695870 [0,2,0,0,0,1|1,0,0]=4 16247 B13R1.876 CC(=Cc1cc(c(cc1N)Br)C)C 271570a_100102525489_200015600912 [0,2,0,0,0,1|1,0,0]=4 16248 B13R1.876 CC(=Cc1cc(c(cc1N)C)C)C 271570a_100102525489_100012337760 [0,2,0,0,0,1|1,0,0]=4 16249 B13R1.876 CC(=Cc1cc(c(cc1N)F)C)C 271570a_100102525489_100011218008 [0,2,0,0,0,1|1,0,0]=4 16250 B13R1.876 CC(=Cc1cc(c(cc1N)N)C)C 271570a_100102525489_200013038441 [0,2,0,0,0,1|1,0,0]=4 16251 B13R1.876 CC(=Cc1cc(c(cc1O)C)C)C 271570a_100102525489_100009814663 [0,2,0,0,0,1|1,0,0]=4 16252 B13R1.876 CC(=O)Cc1cc(c(cc1Br)F)F 1458a_100000070787_100010077255 [0,2,0,0,0,1|1,0,0]=4 16253 B13R1.876 CC(=O)Cc1cc(c(cc1Br)F)F 1458a_100009828490_200000210301 [0,2,0,0,0,1|1,0,0]=4 16254 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)Cl)Cl 1458a_100000070787_100010220947 [0,2,0,0,0,1|1,0,0]=4 16255 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)Cl)F 1458a_100000070787_100009813697 [0,2,0,0,0,1|1,0,0]=4 16256 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)Cl)F 1458a_100011219564_200000210301 [0,2,0,0,0,1|1,0,0]=4 16257 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)F)F 1458a_100000062174_200000210301 [0,2,0,0,0,1|1,0,0]=4 16258 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)F)F 1458a_100000070787_100011830393 [0,2,0,0,0,1|1,0,0]=4 16259 B13R1.876 CC(=O)Cc1cc(c(cc1F)Br)F 1458a_100000070787_100012024439 [0,2,0,0,0,1|1,0,0]=4 16260 B13R1.876 CC(=O)Cc1cc(c(cc1F)Br)F 1458a_100010245136_200000210301 [0,2,0,0,0,1|1,0,0]=4 16261 B13R1.876 CC(=O)Cc1cc(c(cc1F)Cl)F 1458a_100000070787_200012361342 [0,2,0,0,0,1|1,0,0]=4 16262 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)C 1458a_100000070787_100012347589 [0,2,0,0,0,1|0,0,0]=3 16263 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)Cl 1458a_100000070787_100010994231 [0,2,0,0,0,1|1,0,0]=4 16264 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)Cl 1458a_100010154639_200000210301 [0,2,0,0,0,1|1,0,0]=4 16265 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)F 1458a_100000070787_100011218792 [0,2,0,0,0,1|1,0,0]=4 16266 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)F 1458a_100000690282_200000210301 [0,2,0,0,0,1|1,0,0]=4 16267 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)I 1458a_100000070787_100019984567 [0,2,0,0,0,1|1,0,0]=4 16268 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Br)Br 11a_100009998182_100015343762 [0,2,0,0,0,1|1,0,0]=4 16269 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Br)C 11a_100009995518_100015343762 [0,2,0,0,0,1|0,0,0]=3 16270 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Br)C 1626a_100009995518_100015343762 [0,2,0,0,0,1|0,0,0]=3 16271 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Br)F 11a_100010212202_100015343762 [0,2,0,0,0,1|1,0,0]=4 16272 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Br)F 1626a_100010212202_100015343762 [0,2,0,0,0,1|1,0,0]=4 16273 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)Br 11a_100012348304_100015343762 [0,2,0,0,0,1|1,0,0]=4 16274 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)Br 1626a_100012348304_100015343762 [0,2,0,0,0,1|1,0,0]=4 16275 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)C 11a_100012337760_100015343762 [0,2,0,0,0,1|0,0,0]=3 16276 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)C 1626a_100012337760_100015343762 [0,2,0,0,0,1|0,0,0]=3 16277 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)Cl 11a_100000702286_100015343762 [0,2,0,0,0,1|1,0,0]=4 16278 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)Cl 1626a_100000702286_100015343762 [0,2,0,0,0,1|1,0,0]=4 16279 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)Cl 22a_100000702286_100000070787 [0,2,0,0,0,1|1,0,0]=4 16280 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)F 11a_100011218008_100015343762 [0,2,0,0,0,1|1,0,0]=4 16281 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)F 1626a_100011218008_100015343762 [0,2,0,0,0,1|1,0,0]=4 16282 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Cl)F 11a_100010254744_100015343762 [0,2,0,0,0,1|1,0,0]=4 16283 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Cl)F 1626a_100010254744_100015343762 [0,2,0,0,0,1|1,0,0]=4 16284 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)Br 11a_100010131408_100015343762 [0,2,0,0,0,1|1,0,0]=4 16285 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)Br 1626a_100010131408_100015343762 [0,2,0,0,0,1|1,0,0]=4 16286 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)C 11a_100010233353_100015343762 [0,2,0,0,0,1|0,0,0]=3 16287 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)C 1626a_100010233353_100015343762 [0,2,0,0,0,1|0,0,0]=3 16288 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)Cl 11a_100009817155_100015343762 [0,2,0,0,0,1|1,0,0]=4 16289 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)Cl 1626a_100009817155_100015343762 [0,2,0,0,0,1|1,0,0]=4 16290 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)F 11a_100000690790_100015343762 [0,2,0,0,0,1|1,0,0]=4 16291 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)F 1626a_100000690790_100015343762 [0,2,0,0,0,1|1,0,0]=4 16292 B13R1.876 CC(=O)Nc1cc(c(cc1Br)O)Br 527a_100011080774_100103153847 [0,2,0,0,0,1|1,0,0]=4 16293 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)C 11a_100011934712_100015343762 [0,2,0,0,0,1|0,0,0]=3 16294 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)C 1626a_100011934712_100015343762 [0,2,0,0,0,1|0,0,0]=3 16295 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)C 22a_100011934712_100000070787 [0,2,0,0,0,1|0,0,0]=3 16296 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)C 527a_100011934712_100103153847 [0,2,0,0,0,1|0,0,0]=3 16297 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)Cl 11a_100012353740_100015343762 [0,2,0,0,0,1|1,0,0]=4 16298 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)Cl 1626a_100012353740_100015343762 [0,2,0,0,0,1|1,0,0]=4 16299 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)Cl 22a_100012353740_100000070787 [0,2,0,0,0,1|1,0,0]=4 16300 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)F 11a_100000695870_100015343762 [0,2,0,0,0,1|1,0,0]=4 16301 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)F 1626a_100000695870_100015343762 [0,2,0,0,0,1|1,0,0]=4 16302 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)F 22a_100000695870_100000070787 [0,2,0,0,0,1|1,0,0]=4 16303 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)Br 11a_100000703630_100015343762 [0,2,0,0,0,1|1,0,0]=4 16304 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)Br 1626a_100000703630_100015343762 [0,2,0,0,0,1|1,0,0]=4 16305 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)Br 22a_100000703630_100000070787 [0,2,0,0,0,1|1,0,0]=4 16306 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)Br 527a_100000703630_100103153847 [0,2,0,0,0,1|1,0,0]=4 16307 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)C 11a_100011217141_100015343762 [0,2,0,0,0,1|0,0,0]=3 16308 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)C 1626a_100011217141_100015343762 [0,2,0,0,0,1|0,0,0]=3 16309 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)C 22a_100011217141_100000070787 [0,2,0,0,0,1|0,0,0]=3 16310 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)Br 11a_100010244688_100015343762 [0,2,0,0,0,1|1,0,0]=4 16311 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)Br 1626a_100010244688_100015343762 [0,2,0,0,0,1|1,0,0]=4 16312 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)Br 22a_100010244688_100000070787 [0,2,0,0,0,1|1,0,0]=4 16313 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)Br 527a_100010244688_100103153847 [0,2,0,0,0,1|1,0,0]=4 16314 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)C 11a_100011830454_100015343762 [0,2,0,0,0,1|0,0,0]=3 16315 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)C 1626a_100011830454_100015343762 [0,2,0,0,0,1|0,0,0]=3 16316 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)C 22a_100011830454_100000070787 [0,2,0,0,0,1|0,0,0]=3 16317 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)Cl 11a_100012017293_100015343762 [0,2,0,0,0,1|1,0,0]=4 16318 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)Cl 1626a_100012017293_100015343762 [0,2,0,0,0,1|1,0,0]=4 16319 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)Cl 22a_100012017293_100000070787 [0,2,0,0,0,1|1,0,0]=4 16320 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)O 22a_100009961766_100000070787 [0,2,0,0,0,1|1,0,0]=4 16321 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)Br 11a_100000717900_100015343762 [0,2,0,0,0,1|1,0,0]=4 16322 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)Br 1626a_100000717900_100015343762 [0,2,0,0,0,1|1,0,0]=4 16323 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)Br 22a_100000717900_100000070787 [0,2,0,0,0,1|1,0,0]=4 16324 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)Br 527a_100000717900_100103153847 [0,2,0,0,0,1|1,0,0]=4 16325 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)Cl 11a_100012017673_100015343762 [0,2,0,0,0,1|1,0,0]=4 16326 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)Cl 1626a_100012017673_100015343762 [0,2,0,0,0,1|1,0,0]=4 16327 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)Cl 22a_100012017673_100000070787 [0,2,0,0,0,1|1,0,0]=4 16328 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)F 11a_100011830416_100015343762 [0,2,0,0,0,1|1,0,0]=4 16329 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)F 1626a_100011830416_100015343762 [0,2,0,0,0,1|1,0,0]=4 16330 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)F 22a_100011830416_100000070787 [0,2,0,0,0,1|1,0,0]=4 16331 B13R1.876 CC(=O)Nc1cc(c(cc1C)I)F 11a_100010291052_100015343762 [0,2,0,0,0,1|1,0,0]=4 16332 B13R1.876 CC(=O)Nc1cc(c(cc1C)I)F 1626a_100010291052_100015343762 [0,2,0,0,0,1|1,0,0]=4 16333 B13R1.876 CC(=O)Nc1cc(c(cc1C)I)F 22a_100010291052_100000070787 [0,2,0,0,0,1|1,0,0]=4 16334 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 11a_100000720036_100015343762 [0,2,0,0,0,1|0,0,0]=3 16335 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 22a_100000720036_100000070787 [0,2,0,0,0,1|0,0,0]=3 16336 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 271570a_203496583355_100009992581 [0,2,0,0,0,1|0,0,0]=3 16337 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 527a_100000720036_100103153847 [0,2,0,0,0,1|0,0,0]=3 16338 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)F 271570a_203496583355_200013212116 [0,2,0,0,0,1|1,0,0]=4 16339 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Br)Cl 11a_100000246133_100015343762 [0,2,0,0,0,1|1,0,0]=4 16340 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Br)Cl 1626a_100000246133_100015343762 [0,2,0,0,0,1|1,0,0]=4 16341 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Br)F 11a_100000688864_100015343762 [0,2,0,0,0,1|1,0,0]=4 16342 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Br)F 1626a_100000688864_100015343762 [0,2,0,0,0,1|1,0,0]=4 16343 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)C)C 11a_100012183282_100015343762 [0,2,0,0,0,1|0,0,0]=3 16344 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)C)C 1626a_100012183282_100015343762 [0,2,0,0,0,1|0,0,0]=3 16345 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)C)C 22a_100012183282_100000070787 [0,2,0,0,0,1|0,0,0]=3 16346 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)C)O 22a_100000092876_100000070787 [0,2,0,0,0,1|1,0,0]=4 16347 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)Br 11a_200012360370_100015343762 [0,2,0,0,0,1|1,0,0]=4 16348 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)Br 1626a_200012360370_100015343762 [0,2,0,0,0,1|1,0,0]=4 16349 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)C 11a_100012000392_100015343762 [0,2,0,0,0,1|0,0,0]=3 16350 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)C 1626a_100012000392_100015343762 [0,2,0,0,0,1|0,0,0]=3 16351 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)Cl 11a_100000211015_100015343762 [0,2,0,0,0,1|1,0,0]=4 16352 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)Cl 1626a_100000211015_100015343762 [0,2,0,0,0,1|1,0,0]=4 16353 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)F 11a_100012017157_100015343762 [0,2,0,0,0,1|1,0,0]=4 16354 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)F 1626a_100012017157_100015343762 [0,2,0,0,0,1|1,0,0]=4 16355 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)I 11a_100016224655_100015343762 [0,2,0,0,0,1|1,0,0]=4 16356 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)I 1626a_100016224655_100015343762 [0,2,0,0,0,1|1,0,0]=4 16357 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)Br 11a_100000685351_100015343762 [0,2,0,0,0,1|1,0,0]=4 16358 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)Br 1626a_100000685351_100015343762 [0,2,0,0,0,1|1,0,0]=4 16359 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)C 11a_100000729549_100015343762 [0,2,0,0,0,1|0,0,0]=3 16360 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)C 1626a_100000729549_100015343762 [0,2,0,0,0,1|0,0,0]=3 16361 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)C 22a_100000729549_100000070787 [0,2,0,0,0,1|0,0,0]=3 16362 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)Cl 11a_100000085081_100015343762 [0,2,0,0,0,1|1,0,0]=4 16363 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)Cl 1626a_100000085081_100015343762 [0,2,0,0,0,1|1,0,0]=4 16364 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)Cl 22a_100000085081_100000070787 [0,2,0,0,0,1|1,0,0]=4 16365 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)F 11a_100000766337_100015343762 [0,2,0,0,0,1|1,0,0]=4 16366 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)F 1626a_100000766337_100015343762 [0,2,0,0,0,1|1,0,0]=4 16367 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)O)F 22a_100009886023_100000070787 [0,2,0,0,0,1|1,0,0]=4 16368 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)O)F 527a_100009886023_100103153847 [0,2,0,0,0,1|1,0,0]=4 16369 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)Br 11a_200010212207_100015343762 [0,2,0,0,0,1|1,0,0]=4 16370 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)Br 1626a_200010212207_100015343762 [0,2,0,0,0,1|1,0,0]=4 16371 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)Br 22a_200010212207_100000070787 [0,2,0,0,0,1|1,0,0]=4 16372 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)Br 527a_200010212207_100103153847 [0,2,0,0,0,1|1,0,0]=4 16373 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)C 11a_100000691575_100015343762 [0,2,0,0,0,1|0,0,0]=3 16374 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)C 1626a_100000691575_100015343762 [0,2,0,0,0,1|0,0,0]=3 16375 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)C 22a_100000691575_100000070787 [0,2,0,0,0,1|0,0,0]=3 16376 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)Cl 11a_100012356688_100015343762 [0,2,0,0,0,1|1,0,0]=4 16377 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)Cl 1626a_100012356688_100015343762 [0,2,0,0,0,1|1,0,0]=4 16378 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)Cl 22a_100012356688_100000070787 [0,2,0,0,0,1|1,0,0]=4 16379 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)F 11a_100000690247_100015343762 [0,2,0,0,0,1|1,0,0]=4 16380 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)F 1626a_100000690247_100015343762 [0,2,0,0,0,1|1,0,0]=4 16381 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)F 22a_100000690247_100000070787 [0,2,0,0,0,1|1,0,0]=4 16382 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)Br 11a_100010239588_100015343762 [0,2,0,0,0,1|1,0,0]=4 16383 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)Br 1626a_100010239588_100015343762 [0,2,0,0,0,1|1,0,0]=4 16384 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)Br 527a_100010239588_100103153847 [0,2,0,0,0,1|1,0,0]=4 16385 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)F 11a_100012002673_100015343762 [0,2,0,0,0,1|1,0,0]=4 16386 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)F 1626a_100012002673_100015343762 [0,2,0,0,0,1|1,0,0]=4 16387 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)F 22a_100012002673_100000070787 [0,2,0,0,0,1|1,0,0]=4 16388 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)I 11a_100011014115_100015343762 [0,2,0,0,0,1|1,0,0]=4 16389 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)I 1626a_100011014115_100015343762 [0,2,0,0,0,1|1,0,0]=4 16390 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)I 22a_100011014115_100000070787 [0,2,0,0,0,1|1,0,0]=4 16391 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)I 527a_100011014115_100103153847 [0,2,0,0,0,1|1,0,0]=4 16392 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)O 22a_100000117193_100000070787 [0,2,0,0,0,1|1,0,0]=4 16393 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)O 527a_100000117193_100103153847 [0,2,0,0,0,1|1,0,0]=4 16394 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)Br 11a_100013023876_100015343762 [0,2,0,0,0,1|1,0,0]=4 16395 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)Br 1626a_100013023876_100015343762 [0,2,0,0,0,1|1,0,0]=4 16396 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)C 11a_100000091823_100015343762 [0,2,0,0,0,1|0,0,0]=3 16397 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)C 1626a_100000091823_100015343762 [0,2,0,0,0,1|0,0,0]=3 16398 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)C 22a_100000091823_100000070787 [0,2,0,0,0,1|0,0,0]=3 16399 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)Cl 11a_100000724578_100015343762 [0,2,0,0,0,1|1,0,0]=4 16400 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)Cl 1626a_100000724578_100015343762 [0,2,0,0,0,1|1,0,0]=4 16401 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)F 11a_100011998097_100015343762 [0,2,0,0,0,1|1,0,0]=4 16402 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)F 1626a_100011998097_100015343762 [0,2,0,0,0,1|1,0,0]=4 16403 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)O 22a_100000042052_100000070787 [0,2,0,0,0,1|1,0,0]=4 16404 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)Br 11a_100000700208_100015343762 [0,2,0,0,0,1|1,0,0]=4 16405 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)Br 1626a_100000700208_100015343762 [0,2,0,0,0,1|1,0,0]=4 16406 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)Br 22a_100000700208_100000070787 [0,2,0,0,0,1|1,0,0]=4 16407 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)Cl 11a_100011998096_100015343762 [0,2,0,0,0,1|1,0,0]=4 16408 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)Cl 1626a_100011998096_100015343762 [0,2,0,0,0,1|1,0,0]=4 16409 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)Cl 22a_100011998096_100000070787 [0,2,0,0,0,1|1,0,0]=4 16410 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)F 11a_100000750162_100015343762 [0,2,0,0,0,1|1,0,0]=4 16411 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)F 1626a_100000750162_100015343762 [0,2,0,0,0,1|1,0,0]=4 16412 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)F 22a_100000750162_100000070787 [0,2,0,0,0,1|1,0,0]=4 16413 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 22a_100011219470_100000070787 [0,2,0,0,0,1|1,0,0]=4 16414 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 271570a_203496583355_200013902858 [0,2,0,0,0,1|1,0,0]=4 16415 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 527a_100011219470_100103153847 [0,2,0,0,0,1|1,0,0]=4 16416 B13R1.876 CC(=O)Nc1cc(c(cc1F)I)F 11a_100010185194_100015343762 [0,2,0,0,0,1|1,0,0]=4 16417 B13R1.876 CC(=O)Nc1cc(c(cc1F)I)F 1626a_100010185194_100015343762 [0,2,0,0,0,1|1,0,0]=4 16418 B13R1.876 CC(=O)Nc1cc(c(cc1F)O)F 22a_100020635945_100000070787 [0,2,0,0,0,1|1,0,0]=4 16419 B13R1.876 CC(=O)Nc1cc(c(cc1F)O)F 271570a_203496583355_200012359909 [0,2,0,0,0,1|1,0,0]=4 16420 B13R1.876 CC(=O)Nc1cc(c(cc1F)O)F 527a_100020635945_100103153847 [0,2,0,0,0,1|1,0,0]=4 16421 B13R1.876 CC(=O)Nc1cc(c(cc1I)Br)F 11a_100010888672_100015343762 [0,2,0,0,0,1|1,0,0]=4 16422 B13R1.876 CC(=O)Nc1cc(c(cc1I)Br)F 1626a_100010888672_100015343762 [0,2,0,0,0,1|1,0,0]=4 16423 B13R1.876 CC(=O)Nc1cc(c(cc1I)C)Br 11a_200015600912_100015343762 [0,2,0,0,0,1|1,0,0]=4 16424 B13R1.876 CC(=O)Nc1cc(c(cc1I)C)Br 1626a_200015600912_100015343762 [0,2,0,0,0,1|1,0,0]=4 16425 B13R1.876 CC(=O)Nc1cc(c(cc1I)C)C 11a_100012353678_100015343762 [0,2,0,0,0,1|0,0,0]=3 16426 B13R1.876 CC(=O)Nc1cc(c(cc1I)C)C 1626a_100012353678_100015343762 [0,2,0,0,0,1|0,0,0]=3 16427 B13R1.876 CC(=O)Nc1cc(c(cc1I)Cl)Cl 11a_200011093942_100015343762 [0,2,0,0,0,1|1,0,0]=4 16428 B13R1.876 CC(=O)Nc1cc(c(cc1I)Cl)Cl 1626a_200011093942_100015343762 [0,2,0,0,0,1|1,0,0]=4 16429 B13R1.876 CC(=O)Nc1cc(c(cc1I)Cl)F 11a_100010892166_100015343762 [0,2,0,0,0,1|1,0,0]=4 16430 B13R1.876 CC(=O)Nc1cc(c(cc1I)Cl)F 1626a_100010892166_100015343762 [0,2,0,0,0,1|1,0,0]=4 16431 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)Br 11a_200021016574_100015343762 [0,2,0,0,0,1|1,0,0]=4 16432 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)Br 1626a_200021016574_100015343762 [0,2,0,0,0,1|1,0,0]=4 16433 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)C 11a_100010238302_100015343762 [0,2,0,0,0,1|0,0,0]=3 16434 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)C 1626a_100010238302_100015343762 [0,2,0,0,0,1|0,0,0]=3 16435 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)Cl 11a_200010992381_100015343762 [0,2,0,0,0,1|1,0,0]=4 16436 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)Cl 1626a_200010992381_100015343762 [0,2,0,0,0,1|1,0,0]=4 16437 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)F 11a_100000765032_100015343762 [0,2,0,0,0,1|1,0,0]=4 16438 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)F 1626a_100000765032_100015343762 [0,2,0,0,0,1|1,0,0]=4 16439 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)Br 22a_200010781931_100000070787 [0,2,0,0,0,1|1,0,0]=4 16440 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)Br 527a_200010781931_100103153847 [0,2,0,0,0,1|1,0,0]=4 16441 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)C 22a_200010107346_100000070787 [0,2,0,0,0,1|0,0,0]=3 16442 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)C 527a_200010107346_100103153847 [0,2,0,0,0,1|0,0,0]=3 16443 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)F 22a_100013038943_100000070787 [0,2,0,0,0,1|1,0,0]=4 16444 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)F 527a_100013038943_100103153847 [0,2,0,0,0,1|1,0,0]=4 16445 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Br 22a_200010235796_100000070787 [0,2,0,0,0,1|1,0,0]=4 16446 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Br 527a_200010235796_100103153847 [0,2,0,0,0,1|1,0,0]=4 16447 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 22a_100133014134_100000070787 [0,2,0,0,0,1|0,0,0]=3 16448 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 271570a_203496583355_100010006330 [0,2,0,0,0,1|0,0,0]=3 16449 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 527a_100133014134_100103153847 [0,2,0,0,0,1|0,0,0]=3 16450 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Cl 22a_100000091707_100000070787 [0,2,0,0,0,1|1,0,0]=4 16451 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Cl 527a_100000091707_100103153847 [0,2,0,0,0,1|1,0,0]=4 16452 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Br 22a_100013488937_100000070787 [0,2,0,0,0,1|1,0,0]=4 16453 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Br 527a_100013488937_100103153847 [0,2,0,0,0,1|1,0,0]=4 16454 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Cl 22a_100000696747_100000070787 [0,2,0,0,0,1|1,0,0]=4 16455 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Cl 527a_100000696747_100103153847 [0,2,0,0,0,1|1,0,0]=4 16456 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)I 22a_100011011175_100000070787 [0,2,0,0,0,1|1,0,0]=4 16457 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)I 527a_100011011175_100103153847 [0,2,0,0,0,1|1,0,0]=4 16458 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)Br 22a_100012359894_100000070787 [0,2,0,0,0,1|1,0,0]=4 16459 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)Br 527a_100012359894_100103153847 [0,2,0,0,0,1|1,0,0]=4 16460 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)C 22a_100012022779_100000070787 [0,2,0,0,0,1|0,0,0]=3 16461 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)C 527a_100012022779_100103153847 [0,2,0,0,0,1|0,0,0]=3 16462 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 22a_106722365970_100000070787 [0,2,0,0,0,1|1,0,0]=4 16463 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 271570a_203496583355_100010198355 [0,2,0,0,0,1|1,0,0]=4 16464 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 527a_106722365970_100103153847 [0,2,0,0,0,1|1,0,0]=4 16465 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1Br)F)F 1458a_100009828490_200025704644 [0,2,0,0,0,1|1,0,0]=4 16466 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1Cl)Cl)F 1458a_100011219564_200025704644 [0,2,0,0,0,1|1,0,0]=4 16467 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1Cl)F)F 1458a_100000062174_200025704644 [0,2,0,0,0,1|1,0,0]=4 16468 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1F)Br)F 1458a_100010245136_200025704644 [0,2,0,0,0,1|1,0,0]=4 16469 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1F)F)Cl 1458a_100010154639_200025704644 [0,2,0,0,0,1|1,0,0]=4 16470 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1F)F)F 1458a_100000690282_200025704644 [0,2,0,0,0,1|1,0,0]=4 16471 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000211873_100000727479 [0,2,0,0,0,1|0,0,1]=4 16472 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)C)C 1458a_100000211873_100000742320 [0,2,0,0,0,1|0,0,1]=4 16473 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000211873_100012184735 [0,2,0,0,0,1|0,0,1]=4 16474 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)C)F 1458a_100000211873_100011216667 [0,2,0,0,0,1|0,0,1]=4 16475 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000185746_100000727479 [0,2,0,0,0,1|0,0,1]=4 16476 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)C 1458a_100000185746_100000742320 [0,2,0,0,0,1|0,0,1]=4 16477 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000185746_100012184735 [0,2,0,0,0,1|0,0,1]=4 16478 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)F 1458a_100000185746_100011216667 [0,2,0,0,0,1|0,0,1]=4 16479 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100000185746 [0,2,0,0,0,1|0,0,1]=4 16480 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000185746 [0,2,0,0,0,1|0,0,1]=4 16481 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100000185746 [0,2,0,0,0,1|0,0,1]=4 16482 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000185746 [0,2,0,0,0,1|0,0,1]=4 16483 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100000185746 [0,2,0,0,0,1|0,0,1]=4 16484 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000185746 [0,2,0,0,0,1|0,0,1]=4 16485 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100000185746 [0,2,0,0,0,1|0,0,1]=4 16486 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000185746 [0,2,0,0,0,1|0,0,1]=4 16487 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100000185746 [0,2,0,0,0,1|0,0,1]=4 16488 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000185746 [0,2,0,0,0,1|0,0,1]=4 16489 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000185746 [0,2,0,0,0,1|0,0,1]=4 16490 B13R1.2879 CC(=Cc1ccc(c(c1)C)C)C#N 6a_100000229942_200000212204 [0,2,0,0,0,1|1,0,0]=4 16491 B13R1.2879 CC(=Cc1ccc(c(c1)C)Cl)C#N 6a_100000698814_200000212204 [0,2,0,0,0,1|1,0,0]=4 16492 B13R1.2879 CC(=Cc1ccc(c(c1)C)F)C#N 6a_100000748208_200000212204 [0,2,0,0,0,1|1,0,0]=4 16493 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000210414_100012353900 [0,2,0,0,0,1|1,0,0]=4 16494 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)C 1458a_100000210414_100012232412 [0,2,0,0,0,1|1,0,0]=4 16495 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_100000210202 [0,2,0,0,0,1|1,0,0]=4 16496 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000210414_100012353894 [0,2,0,0,0,1|1,0,0]=4 16497 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_100000210202 [0,2,0,0,0,1|1,0,0]=4 16498 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)F 1458a_100000210414_100011206884 [0,2,0,0,0,1|1,0,0]=4 16499 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_100000210202 [0,2,0,0,0,1|1,0,0]=4 16500 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_100000210202 [0,2,0,0,0,1|1,0,0]=4 16501 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)Br 1458a_100000210414_100000727479 [0,2,0,0,0,1|0,0,0]=3 16502 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_100000210202 [0,2,0,0,0,1|0,0,0]=3 16503 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_100000210202 [0,2,0,0,0,1|0,0,0]=3 16504 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)C 1458a_100000210414_100000742320 [0,2,0,0,0,1|0,0,0]=3 16505 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000210414_100012184735 [0,2,0,0,0,1|0,0,0]=3 16506 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)F 1458a_100000210414_100011216667 [0,2,0,0,0,1|0,0,0]=3 16507 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_100000210202 [0,2,0,0,0,1|0,0,0]=3 16508 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_100000210202 [0,2,0,0,0,1|0,0,0]=3 16509 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000210414_100012353895 [0,2,0,0,0,1|1,0,0]=4 16510 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_100000210202 [0,2,0,0,0,1|1,0,0]=4 16511 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000210414_100011823929 [0,2,0,0,0,1|1,0,0]=4 16512 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210414_100000184707 [0,2,0,0,0,1|1,0,0]=4 16513 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_100000210202 [0,2,0,0,0,1|1,0,0]=4 16514 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000210414_100000717365 [0,2,0,0,0,1|1,0,0]=4 16515 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_100000210202 [0,2,0,0,0,1|1,0,0]=4 16516 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000210414_100012349665 [0,2,0,0,0,1|1,0,0]=4 16517 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100000210202 [0,2,0,0,0,1|1,0,0]=4 16518 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)Br 1458a_100000210414_100000767054 [0,2,0,0,0,1|1,0,0]=4 16519 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_100000210202 [0,2,0,0,0,1|1,0,0]=4 16520 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)C 1458a_100000210414_100011217369 [0,2,0,0,0,1|1,0,0]=4 16521 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_100000210202 [0,2,0,0,0,1|1,0,0]=4 16522 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000210414_100000716492 [0,2,0,0,0,1|1,0,0]=4 16523 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_100000210202 [0,2,0,0,0,1|1,0,0]=4 16524 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)F 1458a_100000210414_100000757363 [0,2,0,0,0,1|1,0,0]=4 16525 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_100000210202 [0,2,0,0,0,1|1,0,0]=4 16526 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)I 1458a_100000210414_100010149604 [0,2,0,0,0,1|1,0,0]=4 16527 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_100000210202 [0,2,0,0,0,1|1,0,0]=4 16528 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_100000210202 [0,2,0,0,0,1|1,0,0]=4 16529 B13R1.2879 CCC(=O)Cc1ccc(c(c1)I)Br 1458a_100000210414_100010146616 [0,2,0,0,0,1|1,0,0]=4 16530 B13R1.2879 CCC(=O)Cc1ccc(c(c1)I)C 1458a_100000210414_100010206137 [0,2,0,0,0,1|1,0,0]=4 16531 B13R1.2879 CCC(=O)Cc1ccc(c(c1)I)F 1458a_100000210414_100010188208 [0,2,0,0,0,1|1,0,0]=4 16532 B13R1.2879 CCC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_100000210202 [0,2,0,0,0,1|1,0,0]=4 16533 B13R1.2879 CCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210202 [0,2,0,0,0,1|1,0,0]=4 16534 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)Br 11a_100011306057_100000210414 [0,2,0,0,0,1|1,0,0]=4 16535 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)Br 1626a_100011306057_100000210414 [0,2,0,0,0,1|1,0,0]=4 16536 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000210414 [0,2,0,0,0,1|1,0,0]=4 16537 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)Br 527a_100011306057_100000210414 [0,2,0,0,0,1|1,0,0]=4 16538 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)C 11a_100000736455_100000210414 [0,2,0,0,0,1|1,0,0]=4 16539 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)C 1626a_100000736455_100000210414 [0,2,0,0,0,1|1,0,0]=4 16540 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)C 22a_100000736455_100000210414 [0,2,0,0,0,1|1,0,0]=4 16541 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)C 527a_100000736455_100000210414 [0,2,0,0,0,1|1,0,0]=4 16542 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)Cl 11a_100000686031_100000210414 [0,2,0,0,0,1|1,0,0]=4 16543 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)Cl 1626a_100000686031_100000210414 [0,2,0,0,0,1|1,0,0]=4 16544 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000210414 [0,2,0,0,0,1|1,0,0]=4 16545 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100000210414 [0,2,0,0,0,1|1,0,0]=4 16546 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)F 11a_100000760356_100000210414 [0,2,0,0,0,1|1,0,0]=4 16547 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)F 1626a_100000760356_100000210414 [0,2,0,0,0,1|1,0,0]=4 16548 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)F 22a_100000760356_100000210414 [0,2,0,0,0,1|1,0,0]=4 16549 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)F 527a_100000760356_100000210414 [0,2,0,0,0,1|1,0,0]=4 16550 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)I 11a_100000750458_100000210414 [0,2,0,0,0,1|1,0,0]=4 16551 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)I 1626a_100000750458_100000210414 [0,2,0,0,0,1|1,0,0]=4 16552 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)I 22a_100000750458_100000210414 [0,2,0,0,0,1|1,0,0]=4 16553 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)I 527a_100000750458_100000210414 [0,2,0,0,0,1|1,0,0]=4 16554 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000210414 [0,2,0,0,0,1|1,0,0]=4 16555 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100000210414 [0,2,0,0,0,1|1,0,0]=4 16556 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Br 11a_100000210723_100000210414 [0,2,0,0,0,1|0,0,0]=3 16557 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100000210414 [0,2,0,0,0,1|0,0,0]=3 16558 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000210414 [0,2,0,0,0,1|0,0,0]=3 16559 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Br 527a_100000210723_100000210414 [0,2,0,0,0,1|0,0,0]=3 16560 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)C 11a_100000724040_100000210414 [0,2,0,0,0,1|0,0,0]=3 16561 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100000210414 [0,2,0,0,0,1|0,0,0]=3 16562 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000210414 [0,2,0,0,0,1|0,0,0]=3 16563 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)C 527a_100000724040_100000210414 [0,2,0,0,0,1|0,0,0]=3 16564 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Cl 11a_100000187808_100000210414 [0,2,0,0,0,1|0,0,0]=3 16565 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100000210414 [0,2,0,0,0,1|0,0,0]=3 16566 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000210414 [0,2,0,0,0,1|0,0,0]=3 16567 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Cl 527a_100000187808_100000210414 [0,2,0,0,0,1|0,0,0]=3 16568 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)F 11a_100000750164_100000210414 [0,2,0,0,0,1|0,0,0]=3 16569 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100000210414 [0,2,0,0,0,1|0,0,0]=3 16570 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000210414 [0,2,0,0,0,1|0,0,0]=3 16571 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)F 527a_100000750164_100000210414 [0,2,0,0,0,1|0,0,0]=3 16572 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)I 11a_100000198070_100000210414 [0,2,0,0,0,1|0,0,0]=3 16573 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100000210414 [0,2,0,0,0,1|0,0,0]=3 16574 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000210414 [0,2,0,0,0,1|0,0,0]=3 16575 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)I 527a_100000198070_100000210414 [0,2,0,0,0,1|0,0,0]=3 16576 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100000210414 [0,2,0,0,0,1|0,0,0]=3 16577 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000210414 [0,2,0,0,0,1|0,0,0]=3 16578 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100000210414 [0,2,0,0,0,1|0,0,0]=3 16579 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Br 11a_100000687081_100000210414 [0,2,0,0,0,1|1,0,0]=4 16580 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Br 1626a_100000687081_100000210414 [0,2,0,0,0,1|1,0,0]=4 16581 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000210414 [0,2,0,0,0,1|1,0,0]=4 16582 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Br 527a_100000687081_100000210414 [0,2,0,0,0,1|1,0,0]=4 16583 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)C 11a_100000188892_100000210414 [0,2,0,0,0,1|1,0,0]=4 16584 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)C 1626a_100000188892_100000210414 [0,2,0,0,0,1|1,0,0]=4 16585 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)C 22a_100000188892_100000210414 [0,2,0,0,0,1|1,0,0]=4 16586 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)C 527a_100000188892_100000210414 [0,2,0,0,0,1|1,0,0]=4 16587 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Cl 11a_100000184108_100000210414 [0,2,0,0,0,1|1,0,0]=4 16588 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Cl 1626a_100000184108_100000210414 [0,2,0,0,0,1|1,0,0]=4 16589 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000210414 [0,2,0,0,0,1|1,0,0]=4 16590 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100000210414 [0,2,0,0,0,1|1,0,0]=4 16591 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)F 11a_100000211060_100000210414 [0,2,0,0,0,1|1,0,0]=4 16592 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)F 1626a_100000211060_100000210414 [0,2,0,0,0,1|1,0,0]=4 16593 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000210414 [0,2,0,0,0,1|1,0,0]=4 16594 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)F 527a_100000211060_100000210414 [0,2,0,0,0,1|1,0,0]=4 16595 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)I 11a_100000761885_100000210414 [0,2,0,0,0,1|1,0,0]=4 16596 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)I 1626a_100000761885_100000210414 [0,2,0,0,0,1|1,0,0]=4 16597 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000210414 [0,2,0,0,0,1|1,0,0]=4 16598 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000210414 [0,2,0,0,0,1|1,0,0]=4 16599 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)Br 11a_100000759894_100000210414 [0,2,0,0,0,1|1,0,0]=4 16600 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)Br 1626a_100000759894_100000210414 [0,2,0,0,0,1|1,0,0]=4 16601 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)Br 22a_100000759894_100000210414 [0,2,0,0,0,1|1,0,0]=4 16602 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)Br 527a_100000759894_100000210414 [0,2,0,0,0,1|1,0,0]=4 16603 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)C 11a_100000210958_100000210414 [0,2,0,0,0,1|1,0,0]=4 16604 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)C 1626a_100000210958_100000210414 [0,2,0,0,0,1|1,0,0]=4 16605 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)C 22a_100000210958_100000210414 [0,2,0,0,0,1|1,0,0]=4 16606 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)C 527a_100000210958_100000210414 [0,2,0,0,0,1|1,0,0]=4 16607 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)Cl 11a_100000739366_100000210414 [0,2,0,0,0,1|1,0,0]=4 16608 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)Cl 1626a_100000739366_100000210414 [0,2,0,0,0,1|1,0,0]=4 16609 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000210414 [0,2,0,0,0,1|1,0,0]=4 16610 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)F 11a_100000210724_100000210414 [0,2,0,0,0,1|1,0,0]=4 16611 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)F 1626a_100000210724_100000210414 [0,2,0,0,0,1|1,0,0]=4 16612 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)F 22a_100000210724_100000210414 [0,2,0,0,0,1|1,0,0]=4 16613 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)I 11a_100011356925_100000210414 [0,2,0,0,0,1|1,0,0]=4 16614 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)I 1626a_100011356925_100000210414 [0,2,0,0,0,1|1,0,0]=4 16615 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)I 22a_100011356925_100000210414 [0,2,0,0,0,1|1,0,0]=4 16616 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000210414 [0,2,0,0,0,1|1,0,0]=4 16617 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100000210414 [0,2,0,0,0,1|1,0,0]=4 16618 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)Br 11a_100000750459_100000210414 [0,2,0,0,0,1|1,0,0]=4 16619 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)Br 1626a_100000750459_100000210414 [0,2,0,0,0,1|1,0,0]=4 16620 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)Br 22a_100000750459_100000210414 [0,2,0,0,0,1|1,0,0]=4 16621 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)Br 527a_100000750459_100000210414 [0,2,0,0,0,1|1,0,0]=4 16622 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)C 11a_100000184131_100000210414 [0,2,0,0,0,1|1,0,0]=4 16623 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)C 1626a_100000184131_100000210414 [0,2,0,0,0,1|1,0,0]=4 16624 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)C 22a_100000184131_100000210414 [0,2,0,0,0,1|1,0,0]=4 16625 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)C 527a_100000184131_100000210414 [0,2,0,0,0,1|1,0,0]=4 16626 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)Cl 11a_100012360549_100000210414 [0,2,0,0,0,1|1,0,0]=4 16627 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)Cl 1626a_100012360549_100000210414 [0,2,0,0,0,1|1,0,0]=4 16628 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000210414 [0,2,0,0,0,1|1,0,0]=4 16629 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)Cl 527a_100012360549_100000210414 [0,2,0,0,0,1|1,0,0]=4 16630 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)F 11a_114828291077_100000210414 [0,2,0,0,0,1|1,0,0]=4 16631 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)F 1626a_114828291077_100000210414 [0,2,0,0,0,1|1,0,0]=4 16632 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)F 22a_114828291077_100000210414 [0,2,0,0,0,1|1,0,0]=4 16633 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)F 527a_114828291077_100000210414 [0,2,0,0,0,1|1,0,0]=4 16634 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100000210414 [0,2,0,0,0,1|1,0,0]=4 16635 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000210414 [0,2,0,0,0,1|1,0,0]=4 16636 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100000210414 [0,2,0,0,0,1|1,0,0]=4 16637 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000210414 [0,2,0,0,0,1|1,0,0]=4 16638 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000210414 [0,2,0,0,0,1|1,0,0]=4 16639 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100000210414 [0,2,0,0,0,1|1,0,0]=4 16640 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000210414 [0,2,0,0,0,1|1,0,0]=4 16641 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000210414 [0,2,0,0,0,1|1,0,0]=4 16642 B13R1.2879 CCC(=O)Nc1ccc(c(n1)C)O 271570a_203496583355_100000187203 [0,2,0,0,0,1|1,0,0]=4 16643 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)C 11a_106832991635_100000709925 [0,2,0,0,0,1|1,0,0]=4 16644 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)C 240690a_100102657272_100000709925 [0,2,0,0,0,1|1,0,0]=4 16645 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)C 527a_100102657272_100000709925 [0,2,0,0,0,1|1,0,0]=4 16646 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)Cl 11a_106832991635_100012349508 [0,2,0,0,0,1|1,0,0]=4 16647 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)Cl 240690a_100102657272_100012349508 [0,2,0,0,0,1|1,0,0]=4 16648 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)Cl 527a_100102657272_100012349508 [0,2,0,0,0,1|1,0,0]=4 16649 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)F 11a_106832991635_100000742997 [0,2,0,0,0,1|1,0,0]=4 16650 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)F 240690a_100102657272_100000742997 [0,2,0,0,0,1|1,0,0]=4 16651 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)F 527a_100102657272_100000742997 [0,2,0,0,0,1|1,0,0]=4 16652 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)O 240690a_100102657272_100009990404 [0,2,0,0,0,1|1,0,0]=4 16653 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)O 527a_100102657272_100009990404 [0,2,0,0,0,1|1,0,0]=4 16654 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)Br 11a_106832991635_100012340274 [0,2,0,0,0,1|0,0,0]=3 16655 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)Br 240690a_100102657272_100012340274 [0,2,0,0,0,1|0,0,0]=3 16656 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)Br 527a_100102657272_100012340274 [0,2,0,0,0,1|0,0,0]=3 16657 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)C 11a_106832991635_100000184070 [0,2,0,0,0,1|0,0,0]=3 16658 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)C 240690a_100102657272_100000184070 [0,2,0,0,0,1|0,0,0]=3 16659 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)C 527a_100102657272_100000184070 [0,2,0,0,0,1|0,0,0]=3 16660 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)F 11a_106832991635_100011667458 [0,2,0,0,0,1|0,0,0]=3 16661 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)F 240690a_100102657272_100011667458 [0,2,0,0,0,1|0,0,0]=3 16662 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)F 527a_100102657272_100011667458 [0,2,0,0,0,1|0,0,0]=3 16663 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)O 240690a_100102657272_100000083968 [0,2,0,0,0,1|0,0,0]=3 16664 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)O 527a_100102657272_100000083968 [0,2,0,0,0,1|0,0,0]=3 16665 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Br 11a_106832991635_100000766880 [0,2,0,0,0,1|1,0,0]=4 16666 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Br 240690a_100102657272_100000766880 [0,2,0,0,0,1|1,0,0]=4 16667 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Br 527a_100102657272_100000766880 [0,2,0,0,0,1|1,0,0]=4 16668 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Cl 11a_106832991635_100000210702 [0,2,0,0,0,1|1,0,0]=4 16669 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Cl 240690a_100102657272_100000210702 [0,2,0,0,0,1|1,0,0]=4 16670 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Cl 527a_100102657272_100000210702 [0,2,0,0,0,1|1,0,0]=4 16671 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 11a_106832991635_100011217296 [0,2,0,0,0,1|1,0,0]=4 16672 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 1626a_100102657272_100011217296 [0,2,0,0,0,1|1,0,0]=4 16673 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 240690a_100102657272_100011217296 [0,2,0,0,0,1|1,0,0]=4 16674 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 527a_100102657272_100011217296 [0,2,0,0,0,1|1,0,0]=4 16675 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)O 240690a_100102657272_100000035197 [0,2,0,0,0,1|1,0,0]=4 16676 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)O 527a_100102657272_100000035197 [0,2,0,0,0,1|1,0,0]=4 16677 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Br 11a_106832991635_100000691132 [0,2,0,0,0,1|1,0,0]=4 16678 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Br 240690a_100102657272_100000691132 [0,2,0,0,0,1|1,0,0]=4 16679 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Br 527a_100102657272_100000691132 [0,2,0,0,0,1|1,0,0]=4 16680 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)C 11a_106832991635_100011217375 [0,2,0,0,0,1|1,0,0]=4 16681 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)C 240690a_100102657272_100011217375 [0,2,0,0,0,1|1,0,0]=4 16682 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)C 527a_100102657272_100011217375 [0,2,0,0,0,1|1,0,0]=4 16683 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Cl 11a_106832991635_100000722404 [0,2,0,0,0,1|1,0,0]=4 16684 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Cl 240690a_100102657272_100000722404 [0,2,0,0,0,1|1,0,0]=4 16685 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Cl 527a_100102657272_100000722404 [0,2,0,0,0,1|1,0,0]=4 16686 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 11a_106832991635_100000684721 [0,2,0,0,0,1|1,0,0]=4 16687 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 1626a_100102657272_100000684721 [0,2,0,0,0,1|1,0,0]=4 16688 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 240690a_100102657272_100000684721 [0,2,0,0,0,1|1,0,0]=4 16689 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 527a_100102657272_100000684721 [0,2,0,0,0,1|1,0,0]=4 16690 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 11a_106832991635_100010149632 [0,2,0,0,0,1|1,0,0]=4 16691 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 1626a_100102657272_100010149632 [0,2,0,0,0,1|1,0,0]=4 16692 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 240690a_100102657272_100010149632 [0,2,0,0,0,1|1,0,0]=4 16693 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 527a_100102657272_100010149632 [0,2,0,0,0,1|1,0,0]=4 16694 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)O 240690a_100102657272_100000039761 [0,2,0,0,0,1|1,0,0]=4 16695 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)O 527a_100102657272_100000039761 [0,2,0,0,0,1|1,0,0]=4 16696 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 11a_106832991635_100000082272 [0,2,0,0,0,1|1,0,0]=4 16697 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 240690a_100102657272_100000082272 [0,2,0,0,0,1|1,0,0]=4 16698 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 527a_100102657272_100000082272 [0,2,0,0,0,1|1,0,0]=4 16699 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)O 527a_100102657272_100000031429 [0,2,0,0,0,1|1,0,0]=4 16700 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Br)Br 2430a_100011306057_100102657272 [0,2,0,0,0,1|1,0,0]=4 16701 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Br)C 2430a_100000736455_100102657272 [0,2,0,0,0,1|1,0,0]=4 16702 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Br)Cl 2430a_100000686031_100102657272 [0,2,0,0,0,1|1,0,0]=4 16703 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Br)F 2430a_100000760356_100102657272 [0,2,0,0,0,1|1,0,0]=4 16704 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Br)I 2430a_100000750458_100102657272 [0,2,0,0,0,1|1,0,0]=4 16705 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Br)O 2430a_100011534360_100102657272 [0,2,0,0,0,1|1,0,0]=4 16706 B13R1.2879 CNC(=O)Nc1ccc(c(c1)C)Br 2430a_100000210723_100102657272 [0,2,0,0,0,1|0,0,0]=3 16707 B13R1.2879 CNC(=O)Nc1ccc(c(c1)C)C 2430a_100000724040_100102657272 [0,2,0,0,0,1|0,0,0]=3 16708 B13R1.2879 CNC(=O)Nc1ccc(c(c1)C)Cl 2430a_100000187808_100102657272 [0,2,0,0,0,1|0,0,0]=3 16709 B13R1.2879 CNC(=O)Nc1ccc(c(c1)C)F 2430a_100000750164_100102657272 [0,2,0,0,0,1|0,0,0]=3 16710 B13R1.2879 CNC(=O)Nc1ccc(c(c1)C)I 2430a_100000198070_100102657272 [0,2,0,0,0,1|0,0,0]=3 16711 B13R1.2879 CNC(=O)Nc1ccc(c(c1)C)O 2430a_100011218179_100102657272 [0,2,0,0,0,1|0,0,0]=3 16712 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)Br 2430a_100000687081_100102657272 [0,2,0,0,0,1|1,0,0]=4 16713 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)C 2430a_100000188892_100102657272 [0,2,0,0,0,1|1,0,0]=4 16714 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)Cl 2430a_100000184108_100102657272 [0,2,0,0,0,1|1,0,0]=4 16715 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)F 2430a_100000211060_100102657272 [0,2,0,0,0,1|1,0,0]=4 16716 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)I 2430a_100000761885_100102657272 [0,2,0,0,0,1|1,0,0]=4 16717 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)O 2430a_100000744943_100102657272 [0,2,0,0,0,1|1,0,0]=4 16718 B13R1.2879 CNC(=O)Nc1ccc(c(c1)F)Br 2430a_100000759894_100102657272 [0,2,0,0,0,1|1,0,0]=4 16719 B13R1.2879 CNC(=O)Nc1ccc(c(c1)F)C 2430a_100000210958_100102657272 [0,2,0,0,0,1|1,0,0]=4 16720 B13R1.2879 CNC(=O)Nc1ccc(c(c1)F)Cl 2430a_100000739366_100102657272 [0,2,0,0,0,1|1,0,0]=4 16721 B13R1.2879 CNC(=O)Nc1ccc(c(c1)F)F 2430a_100000210724_100102657272 [0,2,0,0,0,1|1,0,0]=4 16722 B13R1.2879 CNC(=O)Nc1ccc(c(c1)F)I 2430a_100011356925_100102657272 [0,2,0,0,0,1|1,0,0]=4 16723 B13R1.2879 CNC(=O)Nc1ccc(c(c1)F)O 2430a_100011220035_100102657272 [0,2,0,0,0,1|1,0,0]=4 16724 B13R1.2879 CNC(=O)Nc1ccc(c(c1)I)Br 2430a_100000750459_100102657272 [0,2,0,0,0,1|1,0,0]=4 16725 B13R1.2879 CNC(=O)Nc1ccc(c(c1)I)C 2430a_100000184131_100102657272 [0,2,0,0,0,1|1,0,0]=4 16726 B13R1.2879 CNC(=O)Nc1ccc(c(c1)I)Cl 2430a_100012360549_100102657272 [0,2,0,0,0,1|1,0,0]=4 16727 B13R1.2879 CNC(=O)Nc1ccc(c(c1)I)F 2430a_114828291077_100102657272 [0,2,0,0,0,1|1,0,0]=4 16728 B13R1.2879 CNC(=O)Nc1ccc(c(c1)I)F 512a_114828291077_100102657272 [0,2,0,0,0,1|1,0,0]=4 16729 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)C 2430a_100000759471_100102657272 [0,2,0,0,0,1|1,0,0]=4 16730 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)Cl 2430a_100011934209_100102657272 [0,2,0,0,0,1|1,0,0]=4 16731 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)F 2430a_100012017398_100102657272 [0,2,0,0,0,1|1,0,0]=4 16732 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)O 2430a_100102946323_100102657272 [0,2,0,0,0,1|1,0,0]=4 16733 B13R1.2879 COC(=O)Cc1ccc(c(c1)F)O 271570a_203496583355_100010371902 [0,2,0,0,0,1|1,0,0]=4 16734 B13R1.2879 COC(=O)Cc1ccc(c(c1)O)F 271570a_203496583355_100011435807 [0,2,0,0,0,1|1,0,0]=4 16735 B13R1.2879 COC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010222482 [0,2,0,0,0,1|1,0,0]=4 16736 B13R1.2879 COC(=O)Nc1ccc(c(c1)N)O 271570a_203496583355_100012639261 [0,2,0,0,0,1|1,0,0]=4 16737 B13R1.2879 Cc1cc(ccc1Br)CC(=O)CF 1458a_100012340274_100015361967 [0,2,0,0,0,1|0,0,0]=3 16738 B13R1.2879 Cc1cc(ccc1Br)CC(=O)CO 1458a_100000210174_100000727479 [0,2,0,0,0,1|0,0,0]=3 16739 B13R1.2879 Cc1cc(ccc1Br)NC(=O)CO 22a_100000210723_100000210174 [0,2,0,0,0,1|0,0,0]=3 16740 B13R1.2879 Cc1cc(ccc1Br)NC(=O)CO 527a_100000210723_100000210174 [0,2,0,0,0,1|0,0,0]=3 16741 B13R1.2879 Cc1cc(ccc1Cl)CC(=O)CO 1458a_100000210174_100012184735 [0,2,0,0,0,1|0,0,0]=3 16742 B13R1.2879 Cc1cc(ccc1Cl)NC(=O)CO 22a_100000187808_100000210174 [0,2,0,0,0,1|0,0,0]=3 16743 B13R1.2879 Cc1cc(ccc1Cl)NC(=O)CO 527a_100000187808_100000210174 [0,2,0,0,0,1|0,0,0]=3 16744 B13R1.2879 Cc1cc(ccc1F)CC(=O)CF 1458a_100011667458_100015361967 [0,2,0,0,0,1|0,0,0]=3 16745 B13R1.2879 Cc1cc(ccc1F)CC(=O)CO 1458a_100000210174_100011216667 [0,2,0,0,0,1|0,0,0]=3 16746 B13R1.2879 Cc1cc(ccc1F)NC(=O)CO 22a_100000750164_100000210174 [0,2,0,0,0,1|0,0,0]=3 16747 B13R1.2879 Cc1cc(ccc1F)NC(=O)CO 527a_100000750164_100000210174 [0,2,0,0,0,1|0,0,0]=3 16748 B13R1.2879 Cc1cc(ccc1I)NC(=O)CO 22a_100000198070_100000210174 [0,2,0,0,0,1|0,0,0]=3 16749 B13R1.2879 Cc1cc(ccc1I)NC(=O)CO 527a_100000198070_100000210174 [0,2,0,0,0,1|0,0,0]=3 16750 B13R1.2879 Cc1cc(ccc1O)CC(=O)CF 1458a_100000083968_100015361967 [0,2,0,0,0,1|0,0,0]=3 16751 B13R1.2879 Cc1cc(ccc1O)NC(=O)CO 22a_100011218179_100000210174 [0,2,0,0,0,1|0,0,0]=3 16752 B13R1.2879 Cc1cc(ccc1O)NC(=O)CO 527a_100011218179_100000210174 [0,2,0,0,0,1|0,0,0]=3 16753 B13R1.2879 Cc1ccc(cc1Br)CC(=O)CF 1458a_100000709925_100015361967 [0,2,0,0,0,1|1,0,0]=4 16754 B13R1.2879 Cc1ccc(cc1Br)CC(=O)CO 1458a_100000210174_100012232412 [0,2,0,0,0,1|1,0,0]=4 16755 B13R1.2879 Cc1ccc(cc1Br)NC(=O)CO 22a_100000736455_100000210174 [0,2,0,0,0,1|1,0,0]=4 16756 B13R1.2879 Cc1ccc(cc1Br)NC(=O)CO 527a_100000736455_100000210174 [0,2,0,0,0,1|1,0,0]=4 16757 B13R1.2879 Cc1ccc(cc1C)CC(=O)CF 1458a_100000184070_100015361967 [0,2,0,0,0,1|0,0,0]=3 16758 B13R1.2879 Cc1ccc(cc1C)CC(=O)CO 1458a_100000210174_100000742320 [0,2,0,0,0,1|0,0,0]=3 16759 B13R1.2879 Cc1ccc(cc1C)NC(=O)CO 22a_100000724040_100000210174 [0,2,0,0,0,1|0,0,0]=3 16760 B13R1.2879 Cc1ccc(cc1C)NC(=O)CO 527a_100000724040_100000210174 [0,2,0,0,0,1|0,0,0]=3 16761 B13R1.2879 Cc1ccc(cc1Cl)CC(=O)CO 1458a_100000210174_100011823929 [0,2,0,0,0,1|1,0,0]=4 16762 B13R1.2879 Cc1ccc(cc1Cl)NC(=O)CO 22a_100000188892_100000210174 [0,2,0,0,0,1|1,0,0]=4 16763 B13R1.2879 Cc1ccc(cc1Cl)NC(=O)CO 527a_100000188892_100000210174 [0,2,0,0,0,1|1,0,0]=4 16764 B13R1.2879 Cc1ccc(cc1F)CC(=O)CF 1458a_100011217375_100015361967 [0,2,0,0,0,1|1,0,0]=4 16765 B13R1.2879 Cc1ccc(cc1F)CC(=O)CO 1458a_100000210174_100011217369 [0,2,0,0,0,1|1,0,0]=4 16766 B13R1.2879 Cc1ccc(cc1F)NC(=O)CO 22a_100000210958_100000210174 [0,2,0,0,0,1|1,0,0]=4 16767 B13R1.2879 Cc1ccc(cc1F)NC(=O)CO 527a_100000210958_100000210174 [0,2,0,0,0,1|1,0,0]=4 16768 B13R1.2879 Cc1ccc(cc1I)CC(=O)CO 1458a_100000210174_100010206137 [0,2,0,0,0,1|1,0,0]=4 16769 B13R1.2879 Cc1ccc(cc1I)NC(=O)CO 22a_100000184131_100000210174 [0,2,0,0,0,1|1,0,0]=4 16770 B13R1.2879 Cc1ccc(cc1I)NC(=O)CO 527a_100000184131_100000210174 [0,2,0,0,0,1|1,0,0]=4 16771 B13R1.2879 Cc1ccc(cc1O)CC(=O)CF 1458a_100000082272_100015361967 [0,2,0,0,0,1|1,0,0]=4 16772 B13R1.2879 Cc1ccc(cc1O)NC(=O)CO 22a_100000759471_100000210174 [0,2,0,0,0,1|1,0,0]=4 16773 B13R1.2879 Cc1ccc(cc1O)NC(=O)CO 527a_100000759471_100000210174 [0,2,0,0,0,1|1,0,0]=4 16774 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_100015361967 [0,2,0,0,0,1|1,0,0]=4 16775 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Br)F 1458a_100000742997_100015361967 [0,2,0,0,0,1|1,0,0]=4 16776 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Br)O 1458a_100009990404_100015361967 [0,2,0,0,0,1|1,0,0]=4 16777 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_100015361967 [0,2,0,0,0,1|1,0,0]=4 16778 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_100015361967 [0,2,0,0,0,1|1,0,0]=4 16779 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)F 1458a_100011217296_100015361967 [0,2,0,0,0,1|1,0,0]=4 16780 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100015361967 [0,2,0,0,0,1|1,0,0]=4 16781 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)Br 1458a_100000691132_100015361967 [0,2,0,0,0,1|1,0,0]=4 16782 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)Cl 1458a_100000722404_100015361967 [0,2,0,0,0,1|1,0,0]=4 16783 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)F 1458a_100000684721_100015361967 [0,2,0,0,0,1|1,0,0]=4 16784 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)I 1458a_100010149632_100015361967 [0,2,0,0,0,1|1,0,0]=4 16785 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)O 1458a_100000039761_100015361967 [0,2,0,0,0,1|1,0,0]=4 16786 B13R1.2879 O=C(CF)Cc1ccc(c(c1)O)O 1458a_100000031429_100015361967 [0,2,0,0,0,1|1,0,0]=4 16787 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)Br 1458a_100000210174_100012353900 [0,2,0,0,0,1|1,0,0]=4 16788 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)Cl 1458a_100000210174_100012353894 [0,2,0,0,0,1|1,0,0]=4 16789 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)F 1458a_100000210174_100011206884 [0,2,0,0,0,1|1,0,0]=4 16790 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)Br 1458a_100000210174_100012353895 [0,2,0,0,0,1|1,0,0]=4 16791 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)Cl 1458a_100000210174_100000184707 [0,2,0,0,0,1|1,0,0]=4 16792 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)F 1458a_100000210174_100000717365 [0,2,0,0,0,1|1,0,0]=4 16793 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)I 1458a_100000210174_100012349665 [0,2,0,0,0,1|1,0,0]=4 16794 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)Br 1458a_100000210174_100000767054 [0,2,0,0,0,1|1,0,0]=4 16795 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)Cl 1458a_100000210174_100000716492 [0,2,0,0,0,1|1,0,0]=4 16796 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)F 1458a_100000210174_100000757363 [0,2,0,0,0,1|1,0,0]=4 16797 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)I 1458a_100000210174_100010149604 [0,2,0,0,0,1|1,0,0]=4 16798 B13R1.2879 O=C(CO)Cc1ccc(c(c1)I)Br 1458a_100000210174_100010146616 [0,2,0,0,0,1|1,0,0]=4 16799 B13R1.2879 O=C(CO)Cc1ccc(c(c1)I)F 1458a_100000210174_100010188208 [0,2,0,0,0,1|1,0,0]=4 16800 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000210174 [0,2,0,0,0,1|1,0,0]=4 16801 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Br 527a_100011306057_100000210174 [0,2,0,0,0,1|1,0,0]=4 16802 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000210174 [0,2,0,0,0,1|1,0,0]=4 16803 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100000210174 [0,2,0,0,0,1|1,0,0]=4 16804 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)F 22a_100000760356_100000210174 [0,2,0,0,0,1|1,0,0]=4 16805 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)F 527a_100000760356_100000210174 [0,2,0,0,0,1|1,0,0]=4 16806 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)I 22a_100000750458_100000210174 [0,2,0,0,0,1|1,0,0]=4 16807 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)I 527a_100000750458_100000210174 [0,2,0,0,0,1|1,0,0]=4 16808 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)O 22a_100011534360_100000210174 [0,2,0,0,0,1|1,0,0]=4 16809 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)O 527a_100011534360_100000210174 [0,2,0,0,0,1|1,0,0]=4 16810 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000210174 [0,2,0,0,0,1|1,0,0]=4 16811 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Br 527a_100000687081_100000210174 [0,2,0,0,0,1|1,0,0]=4 16812 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000210174 [0,2,0,0,0,1|1,0,0]=4 16813 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100000210174 [0,2,0,0,0,1|1,0,0]=4 16814 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000210174 [0,2,0,0,0,1|1,0,0]=4 16815 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)F 527a_100000211060_100000210174 [0,2,0,0,0,1|1,0,0]=4 16816 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000210174 [0,2,0,0,0,1|1,0,0]=4 16817 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000210174 [0,2,0,0,0,1|1,0,0]=4 16818 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)Br 22a_100000759894_100000210174 [0,2,0,0,0,1|1,0,0]=4 16819 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)Br 527a_100000759894_100000210174 [0,2,0,0,0,1|1,0,0]=4 16820 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000210174 [0,2,0,0,0,1|1,0,0]=4 16821 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)F 22a_100000210724_100000210174 [0,2,0,0,0,1|1,0,0]=4 16822 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)I 22a_100011356925_100000210174 [0,2,0,0,0,1|1,0,0]=4 16823 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)O 22a_100011220035_100000210174 [0,2,0,0,0,1|1,0,0]=4 16824 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)O 527a_100011220035_100000210174 [0,2,0,0,0,1|1,0,0]=4 16825 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Br 22a_100000750459_100000210174 [0,2,0,0,0,1|1,0,0]=4 16826 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Br 527a_100000750459_100000210174 [0,2,0,0,0,1|1,0,0]=4 16827 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000210174 [0,2,0,0,0,1|1,0,0]=4 16828 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Cl 527a_100012360549_100000210174 [0,2,0,0,0,1|1,0,0]=4 16829 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)F 22a_114828291077_100000210174 [0,2,0,0,0,1|1,0,0]=4 16830 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)F 527a_114828291077_100000210174 [0,2,0,0,0,1|1,0,0]=4 16831 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000210174 [0,2,0,0,0,1|1,0,0]=4 16832 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)F 22a_100012017398_100000210174 [0,2,0,0,0,1|1,0,0]=4 16833 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)F 527a_100012017398_100000210174 [0,2,0,0,0,1|1,0,0]=4 16834 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)O 22a_100102946323_100000210174 [0,2,0,0,0,1|1,0,0]=4 16835 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)O 527a_100102946323_100000210174 [0,2,0,0,0,1|1,0,0]=4 16836 B13R1.3528 CC(=Cc1ccc(c(c1C)C)Br)C 271570a_100102525489_200010185626 [0,2,0,0,0,1|1,0,0]=4 16837 B13R1.3528 CC(=Cc1ccc(c(c1C)C)F)C 271570a_100102525489_100009816033 [0,2,0,0,0,1|1,0,0]=4 16838 B13R1.3528 CC(=Cc1ccc(c(c1C)C)N)C 271570a_100102525489_100009816967 [0,2,0,0,0,1|1,0,0]=4 16839 B13R1.3528 CC(=Cc1ccc(c(c1C)C)O)C 271570a_100102525489_100012353674 [0,2,0,0,0,1|1,0,0]=4 16840 B13R1.3528 CC(=Cc1ccc(c(c1Cl)C)Br)C 271570a_100102525489_100055076181 [0,2,0,0,0,1|1,0,0]=4 16841 B13R1.3528 CC(=Cc1ccc(c(c1Cl)C)Cl)C 271570a_100102525489_100010730154 [0,2,0,0,0,1|1,0,0]=4 16842 B13R1.3528 CC(=Cc1ccc(c(c1F)C)C)C 271570a_100102525489_200015555822 [0,2,0,0,0,1|1,0,0]=4 16843 B13R1.3528 CC(=Cc1ccc(c(c1F)C)F)C 271570a_100102525489_100009815987 [0,2,0,0,0,1|1,0,0]=4 16844 B13R1.3528 CC(=Cc1ccc(c(c1F)C)N)C 271570a_100102525489_100010208198 [0,2,0,0,0,1|1,0,0]=4 16845 B13R1.3528 CC(=Cc1ccc(c(c1F)C)O)C 271570a_100102525489_100010390934 [0,2,0,0,0,1|1,0,0]=4 16846 B13R1.3528 CC(=Cc1ccc(c(c1N)C)F)C 271570a_100102525489_100011009917 [0,2,0,0,0,1|1,0,0]=4 16847 B13R1.3528 CC(=Cc1ccc(c(c1O)C)F)C 271570a_100102525489_200010391124 [0,2,0,0,0,1|1,0,0]=4 16848 B13R1.3528 CC(=O)Cc1ccc(c(c1Br)F)F 1458a_100000070787_100016216887 [0,2,0,0,0,1|1,0,0]=4 16849 B13R1.3528 CC(=O)Cc1ccc(c(c1Br)F)F 1458a_200015693364_200000210301 [0,2,0,0,0,1|1,0,0]=4 16850 B13R1.3528 CC(=O)Cc1ccc(c(c1Cl)F)F 1458a_200010154634_200000210301 [0,2,0,0,0,1|1,0,0]=4 16851 B13R1.3528 CC(=O)Cc1ccc(c(c1F)Cl)F 1458a_100000062224_200000210301 [0,2,0,0,0,1|1,0,0]=4 16852 B13R1.3528 CC(=O)Cc1ccc(c(c1F)Cl)F 1458a_100000070787_100009814552 [0,2,0,0,0,1|1,0,0]=4 16853 B13R1.3528 CC(=O)Cc1ccc(c(c1F)F)C 1458a_100000070787_100009813564 [0,2,0,0,0,1|1,0,0]=4 16854 B13R1.3528 CC(=O)Cc1ccc(c(c1F)F)C 1458a_100011217901_200000210301 [0,2,0,0,0,1|1,0,0]=4 16855 B13R1.3528 CC(=O)Cc1ccc(c(c1F)F)F 1458a_100000070787_100011218744 [0,2,0,0,0,1|1,0,0]=4 16856 B13R1.3528 CC(=O)Cc1ccc(c(c1F)F)F 1458a_100011217297_200000210301 [0,2,0,0,0,1|1,0,0]=4 16857 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)Br)Br 11a_100010151465_100015343762 [0,2,0,0,0,1|1,0,0]=4 16858 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)Br)Br 1626a_100010151465_100015343762 [0,2,0,0,0,1|1,0,0]=4 16859 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)Cl)Cl 11a_100021501213_100015343762 [0,2,0,0,0,1|1,0,0]=4 16860 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)Cl)Cl 1626a_100021501213_100015343762 [0,2,0,0,0,1|1,0,0]=4 16861 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)F)F 11a_100010232473_100015343762 [0,2,0,0,0,1|1,0,0]=4 16862 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)F)F 1626a_100010232473_100015343762 [0,2,0,0,0,1|1,0,0]=4 16863 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)F)I 11a_100015781493_100015343762 [0,2,0,0,0,1|1,0,0]=4 16864 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)F)I 1626a_100015781493_100015343762 [0,2,0,0,0,1|1,0,0]=4 16865 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)Br 11a_100010244494_100015343762 [0,2,0,0,0,1|1,0,0]=4 16866 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)Br 1626a_100010244494_100015343762 [0,2,0,0,0,1|1,0,0]=4 16867 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)Br 22a_100010244494_100000070787 [0,2,0,0,0,1|1,0,0]=4 16868 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)Br 527a_100010244494_100103153847 [0,2,0,0,0,1|1,0,0]=4 16869 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)C 11a_106354213274_100015343762 [0,2,0,0,0,1|1,0,0]=4 16870 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)C 1626a_106354213274_100015343762 [0,2,0,0,0,1|1,0,0]=4 16871 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)C 22a_106354213274_100000070787 [0,2,0,0,0,1|1,0,0]=4 16872 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)C 527a_106354213274_100103153847 [0,2,0,0,0,1|1,0,0]=4 16873 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)Cl 11a_100016073598_100015343762 [0,2,0,0,0,1|1,0,0]=4 16874 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)Cl 1626a_100016073598_100015343762 [0,2,0,0,0,1|1,0,0]=4 16875 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)Cl 22a_100016073598_100000070787 [0,2,0,0,0,1|1,0,0]=4 16876 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)Cl 527a_100016073598_100103153847 [0,2,0,0,0,1|1,0,0]=4 16877 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)Br 11a_100009816967_100015343762 [0,2,0,0,0,1|0,0,0]=3 16878 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)Br 1626a_100009816967_100015343762 [0,2,0,0,0,1|0,0,0]=3 16879 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)Br 22a_100009816967_100000070787 [0,2,0,0,0,1|0,0,0]=3 16880 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)Br 527a_100009816967_100103153847 [0,2,0,0,0,1|0,0,0]=3 16881 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)C 11a_100000116900_100015343762 [0,2,0,0,0,1|0,0,0]=3 16882 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)C 1626a_100000116900_100015343762 [0,2,0,0,0,1|0,0,0]=3 16883 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)C 22a_100000116900_100000070787 [0,2,0,0,0,1|0,0,0]=3 16884 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)F 11a_100000062172_100015343762 [0,2,0,0,0,1|0,0,0]=3 16885 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)F 1626a_100000062172_100015343762 [0,2,0,0,0,1|0,0,0]=3 16886 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)F 22a_100000062172_100000070787 [0,2,0,0,0,1|0,0,0]=3 16887 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 11a_200011216674_100015343762 [0,2,0,0,0,1|0,0,0]=3 16888 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 22a_200011216674_100000070787 [0,2,0,0,0,1|0,0,0]=3 16889 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 527a_200011216674_100103153847 [0,2,0,0,0,1|0,0,0]=3 16890 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)Br 11a_100009816872_100015343762 [0,2,0,0,0,1|1,0,0]=4 16891 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)Br 1626a_100009816872_100015343762 [0,2,0,0,0,1|1,0,0]=4 16892 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)Br 22a_100009816872_100000070787 [0,2,0,0,0,1|1,0,0]=4 16893 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)Br 527a_100009816872_100103153847 [0,2,0,0,0,1|1,0,0]=4 16894 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)C 11a_100009954856_100015343762 [0,2,0,0,0,1|1,0,0]=4 16895 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)C 1626a_100009954856_100015343762 [0,2,0,0,0,1|1,0,0]=4 16896 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)C 22a_100009954856_100000070787 [0,2,0,0,0,1|1,0,0]=4 16897 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)C 527a_100009954856_100103153847 [0,2,0,0,0,1|1,0,0]=4 16898 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)Cl 11a_114948340058_100015343762 [0,2,0,0,0,1|1,0,0]=4 16899 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)Cl 1626a_114948340058_100015343762 [0,2,0,0,0,1|1,0,0]=4 16900 B13R1.3528 CC(=O)Nc1ccc(c(c1C)F)Br 11a_100010208198_100015343762 [0,2,0,0,0,1|1,0,0]=4 16901 B13R1.3528 CC(=O)Nc1ccc(c(c1C)F)Br 1626a_100010208198_100015343762 [0,2,0,0,0,1|1,0,0]=4 16902 B13R1.3528 CC(=O)Nc1ccc(c(c1C)F)Br 22a_100010208198_100000070787 [0,2,0,0,0,1|1,0,0]=4 16903 B13R1.3528 CC(=O)Nc1ccc(c(c1C)F)Br 527a_100010208198_100103153847 [0,2,0,0,0,1|1,0,0]=4 16904 B13R1.3528 CC(=O)Nc1ccc(c(c1C)F)I 11a_100010291050_100015343762 [0,2,0,0,0,1|1,0,0]=4 16905 B13R1.3528 CC(=O)Nc1ccc(c(c1C)F)I 1626a_100010291050_100015343762 [0,2,0,0,0,1|1,0,0]=4 16906 B13R1.3528 CC(=O)Nc1ccc(c(c1C)F)I 22a_100010291050_100000070787 [0,2,0,0,0,1|1,0,0]=4 16907 B13R1.3528 CC(=O)Nc1ccc(c(c1C)F)I 527a_100010291050_100103153847 [0,2,0,0,0,1|1,0,0]=4 16908 B13R1.3528 CC(=O)Nc1ccc(c(c1C)I)C 11a_100011170560_100015343762 [0,2,0,0,0,1|1,0,0]=4 16909 B13R1.3528 CC(=O)Nc1ccc(c(c1C)I)C 1626a_100011170560_100015343762 [0,2,0,0,0,1|1,0,0]=4 16910 B13R1.3528 CC(=O)Nc1ccc(c(c1C)I)C 22a_100011170560_100000070787 [0,2,0,0,0,1|1,0,0]=4 16911 B13R1.3528 CC(=O)Nc1ccc(c(c1C)I)C 527a_100011170560_100103153847 [0,2,0,0,0,1|1,0,0]=4 16912 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)C)Cl 11a_100011935240_100015343762 [0,2,0,0,0,1|0,0,0]=3 16913 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)C)Cl 1626a_100011935240_100015343762 [0,2,0,0,0,1|0,0,0]=3 16914 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)C)Cl 22a_100011935240_100000070787 [0,2,0,0,0,1|0,0,0]=3 16915 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)C)F 11a_100009863382_100015343762 [0,2,0,0,0,1|0,0,0]=3 16916 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)C)F 1626a_100009863382_100015343762 [0,2,0,0,0,1|0,0,0]=3 16917 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)C)F 22a_100009863382_100000070787 [0,2,0,0,0,1|0,0,0]=3 16918 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)Br 11a_100000701039_100015343762 [0,2,0,0,0,1|1,0,0]=4 16919 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)Br 1626a_100000701039_100015343762 [0,2,0,0,0,1|1,0,0]=4 16920 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)Cl 11a_200000033989_100015343762 [0,2,0,0,0,1|1,0,0]=4 16921 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)Cl 1626a_200000033989_100015343762 [0,2,0,0,0,1|1,0,0]=4 16922 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)F 11a_100000068956_100015343762 [0,2,0,0,0,1|1,0,0]=4 16923 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)F 1626a_100000068956_100015343762 [0,2,0,0,0,1|1,0,0]=4 16924 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)O 527a_100012017499_100103153847 [0,2,0,0,0,1|1,0,0]=4 16925 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)F)Br 11a_100010109752_100015343762 [0,2,0,0,0,1|1,0,0]=4 16926 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)F)Br 1626a_100010109752_100015343762 [0,2,0,0,0,1|1,0,0]=4 16927 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)F)Cl 11a_100000069711_100015343762 [0,2,0,0,0,1|1,0,0]=4 16928 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)F)Cl 1626a_100000069711_100015343762 [0,2,0,0,0,1|1,0,0]=4 16929 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)F)F 11a_100000101296_100015343762 [0,2,0,0,0,1|1,0,0]=4 16930 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)F)F 1626a_100000101296_100015343762 [0,2,0,0,0,1|1,0,0]=4 16931 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)O)C 11a_100000036876_100015343762 [0,2,0,0,0,1|1,0,0]=4 16932 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)O)C 22a_100000036876_100000070787 [0,2,0,0,0,1|1,0,0]=4 16933 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Br)F 11a_100010070858_100015343762 [0,2,0,0,0,1|1,0,0]=4 16934 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Br)F 1626a_100010070858_100015343762 [0,2,0,0,0,1|1,0,0]=4 16935 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)Br 11a_100000722916_100015343762 [0,2,0,0,0,1|0,0,0]=3 16936 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)Br 1626a_100000722916_100015343762 [0,2,0,0,0,1|0,0,0]=3 16937 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)Br 22a_100000722916_100000070787 [0,2,0,0,0,1|0,0,0]=3 16938 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)F 11a_102495366501_100015343762 [0,2,0,0,0,1|0,0,0]=3 16939 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)F 1626a_102495366501_100015343762 [0,2,0,0,0,1|0,0,0]=3 16940 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)F 22a_102495366501_100000070787 [0,2,0,0,0,1|0,0,0]=3 16941 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)O 11a_200000126710_100015343762 [0,2,0,0,0,1|0,0,0]=3 16942 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)O 22a_200000126710_100000070787 [0,2,0,0,0,1|0,0,0]=3 16943 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)O 527a_200000126710_100103153847 [0,2,0,0,0,1|0,0,0]=3 16944 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)Br 11a_100009813730_100015343762 [0,2,0,0,0,1|1,0,0]=4 16945 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)Br 1626a_100009813730_100015343762 [0,2,0,0,0,1|1,0,0]=4 16946 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)Br 22a_100009813730_100000070787 [0,2,0,0,0,1|1,0,0]=4 16947 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)Cl 11a_100000036759_100015343762 [0,2,0,0,0,1|1,0,0]=4 16948 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)Cl 1626a_100000036759_100015343762 [0,2,0,0,0,1|1,0,0]=4 16949 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)F 11a_100000038966_100015343762 [0,2,0,0,0,1|1,0,0]=4 16950 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)F 1626a_100000038966_100015343762 [0,2,0,0,0,1|1,0,0]=4 16951 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)O 22a_200000098347_100000070787 [0,2,0,0,0,1|1,0,0]=4 16952 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)O 527a_200000098347_100103153847 [0,2,0,0,0,1|1,0,0]=4 16953 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)Br 11a_100010200256_100015343762 [0,2,0,0,0,1|1,0,0]=4 16954 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)Br 1626a_100010200256_100015343762 [0,2,0,0,0,1|1,0,0]=4 16955 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)C 11a_100000062217_100015343762 [0,2,0,0,0,1|1,0,0]=4 16956 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)C 1626a_100000062217_100015343762 [0,2,0,0,0,1|1,0,0]=4 16957 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)C 22a_100000062217_100000070787 [0,2,0,0,0,1|1,0,0]=4 16958 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)Cl 11a_100000088996_100015343762 [0,2,0,0,0,1|1,0,0]=4 16959 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)Cl 1626a_100000088996_100015343762 [0,2,0,0,0,1|1,0,0]=4 16960 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)F 11a_100000210235_100015343762 [0,2,0,0,0,1|1,0,0]=4 16961 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)F 1626a_100000210235_100015343762 [0,2,0,0,0,1|1,0,0]=4 16962 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)F 22a_100000210235_100000070787 [0,2,0,0,0,1|1,0,0]=4 16963 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)I 11a_100010291506_100015343762 [0,2,0,0,0,1|1,0,0]=4 16964 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)I 1626a_100010291506_100015343762 [0,2,0,0,0,1|1,0,0]=4 16965 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)O 22a_100015204651_100000070787 [0,2,0,0,0,1|1,0,0]=4 16966 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)O 527a_100015204651_100103153847 [0,2,0,0,0,1|1,0,0]=4 16967 B13R1.3528 CC(=O)Nc1ccc(c(c1F)I)F 11a_100015510717_100015343762 [0,2,0,0,0,1|1,0,0]=4 16968 B13R1.3528 CC(=O)Nc1ccc(c(c1F)I)F 1626a_100015510717_100015343762 [0,2,0,0,0,1|1,0,0]=4 16969 B13R1.3528 CC(=O)Nc1ccc(c(c1F)I)F 22a_100015510717_100000070787 [0,2,0,0,0,1|1,0,0]=4 16970 B13R1.3528 CC(=O)Nc1ccc(c(c1I)Br)F 11a_100020765651_100015343762 [0,2,0,0,0,1|1,0,0]=4 16971 B13R1.3528 CC(=O)Nc1ccc(c(c1I)Br)F 1626a_100020765651_100015343762 [0,2,0,0,0,1|1,0,0]=4 16972 B13R1.3528 CC(=O)Nc1ccc(c(c1I)Cl)Br 11a_200010779962_100015343762 [0,2,0,0,0,1|1,0,0]=4 16973 B13R1.3528 CC(=O)Nc1ccc(c(c1I)Cl)Br 1626a_200010779962_100015343762 [0,2,0,0,0,1|1,0,0]=4 16974 B13R1.3528 CC(=O)Nc1ccc(c(c1I)Cl)Cl 11a_200011093878_100015343762 [0,2,0,0,0,1|1,0,0]=4 16975 B13R1.3528 CC(=O)Nc1ccc(c(c1I)Cl)Cl 1626a_200011093878_100015343762 [0,2,0,0,0,1|1,0,0]=4 16976 B13R1.3528 CC(=O)Nc1ccc(c(c1I)F)Cl 11a_100010134325_100015343762 [0,2,0,0,0,1|1,0,0]=4 16977 B13R1.3528 CC(=O)Nc1ccc(c(c1I)F)Cl 1626a_100010134325_100015343762 [0,2,0,0,0,1|1,0,0]=4 16978 B13R1.3528 CC(=O)Nc1ccc(c(c1O)Br)F 22a_100010128263_100000070787 [0,2,0,0,0,1|1,0,0]=4 16979 B13R1.3528 CC(=O)Nc1ccc(c(c1O)Br)F 527a_100010128263_100103153847 [0,2,0,0,0,1|1,0,0]=4 16980 B13R1.3528 CC(=O)Nc1ccc(c(c1O)F)F 22a_100015205010_100000070787 [0,2,0,0,0,1|1,0,0]=4 16981 B13R1.3528 CC(=O)Nc1ccc(c(c1O)F)F 527a_100015205010_100103153847 [0,2,0,0,0,1|1,0,0]=4 16982 B13R1.3528 Cc1ccc(c(c1F)F)CC(=O)[13CH3] 1458a_100011217901_200025704644 [0,2,0,0,0,1|1,0,0]=4 16983 B13R1.3528 [13CH3]C(=O)Cc1ccc(c(c1Br)F)F 1458a_200015693364_200025704644 [0,2,0,0,0,1|1,0,0]=4 16984 B13R1.3528 [13CH3]C(=O)Cc1ccc(c(c1Cl)F)F 1458a_200010154634_200025704644 [0,2,0,0,0,1|1,0,0]=4 16985 B13R1.3528 [13CH3]C(=O)Cc1ccc(c(c1F)Cl)F 1458a_100000062224_200025704644 [0,2,0,0,0,1|1,0,0]=4 16986 B13R1.3528 [13CH3]C(=O)Cc1ccc(c(c1F)F)F 1458a_100011217297_200025704644 [0,2,0,0,0,1|1,0,0]=4 16987 B13R1.3763 CC(=Cc1cc(c(c(c1)Br)O)C)C 271570a_100102525489_100010982682 [0,2,0,0,0,1|1,0,0]=4 16988 B13R1.3763 CC(=Cc1cc(c(c(c1)C)C)C)C 271570a_100102525489_200011015895 [0,2,0,0,0,1|1,0,0]=4 16989 B13R1.3763 CC(=Cc1cc(c(c(c1)C)F)C)C 271570a_100102525489_100009814169 [0,2,0,0,0,1|1,0,0]=4 16990 B13R1.3763 CC(=Cc1cc(c(c(c1)C)N)C)C 271570a_100102525489_100000737279 [0,2,0,0,0,1|1,0,0]=4 16991 B13R1.3763 CC(=Cc1cc(c(c(c1)C)O)C)C 271570a_100102525489_100000187306 [0,2,0,0,0,1|1,0,0]=4 16992 B13R1.3763 CC(=Cc1cc(c(c(c1)Cl)O)C)C 271570a_100102525489_200015900153 [0,2,0,0,0,1|1,0,0]=4 16993 B13R1.3763 CC(=Cc1cc(c(c(c1)F)F)C)C 271570a_100102525489_200011068660 [0,2,0,0,0,1|1,0,0]=4 16994 B13R1.3763 CC(=Cc1cc(c(c(c1)F)N)C)C 271570a_100102525489_100000709789 [0,2,0,0,0,1|1,0,0]=4 16995 B13R1.3763 CC(=Cc1cc(c(c(c1)N)F)C)C 271570a_100102525489_100010381932 [0,2,0,0,0,1|1,0,0]=4 16996 B13R1.3763 CC(=Cc1cc(c(c(c1)N)N)C)C 271570a_100102525489_100000688557 [0,2,0,0,0,1|1,0,0]=4 16997 B13R1.3763 CC(=Cc1cc(c(c(c1)N)O)C)C 271570a_100102525489_100011825904 [0,2,0,0,0,1|1,0,0]=4 16998 B13R1.3763 CC(=Cc1cc(c(c(c1)O)N)C)C 271570a_100102525489_100010371313 [0,2,0,0,0,1|1,0,0]=4 16999 B13R1.3763 CC(=O)Cc1cc(c(c(c1)Br)O)Br 1458a_100009996861_200000210301 [0,2,0,0,0,1|1,0,0]=4 17000 B13R1.3763 CC(=O)Cc1cc(c(c(c1)C)F)C 1458a_100000069598_200000210301 [0,2,0,0,0,1|0,0,0]=3 17001 B13R1.3763 CC(=O)Cc1cc(c(c(c1)C)F)C 1458a_100000070787_100011352456 [0,2,0,0,0,1|0,0,0]=3 17002 B13R1.3763 CC(=O)Cc1cc(c(c(c1)C)O)C 1458a_200000099080_200000210301 [0,2,0,0,0,1|0,0,0]=3 17003 B13R1.3763 CC(=O)Cc1cc(c(c(c1)F)Cl)F 1458a_100000070787_100010769323 [0,2,0,0,0,1|1,0,0]=4 17004 B13R1.3763 CC(=O)Cc1cc(c(c(c1)F)F)F 1458a_100000070787_100011216845 [0,2,0,0,0,1|1,0,0]=4 17005 B13R1.3763 CC(=O)Cc1cc(c(c(c1)F)F)F 1458a_100011217689_200000210301 [0,2,0,0,0,1|1,0,0]=4 17006 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)C)Br 11a_100009813276_100015343762 [0,2,0,0,0,1|1,0,0]=4 17007 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)C)Br 1626a_100009813276_100015343762 [0,2,0,0,0,1|1,0,0]=4 17008 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)C)Br 22a_100009813276_100000070787 [0,2,0,0,0,1|1,0,0]=4 17009 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)C)Br 527a_100009813276_100103153847 [0,2,0,0,0,1|1,0,0]=4 17010 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)C)C 11a_100010368239_100015343762 [0,2,0,0,0,1|0,0,0]=3 17011 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)C)C 1626a_100010368239_100015343762 [0,2,0,0,0,1|0,0,0]=3 17012 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)C)C 22a_100010368239_100000070787 [0,2,0,0,0,1|0,0,0]=3 17013 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)C)C 527a_100010368239_100103153847 [0,2,0,0,0,1|0,0,0]=3 17014 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)C)F 11a_100010254531_100015343762 [0,2,0,0,0,1|1,0,0]=4 17015 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)C)F 1626a_100010254531_100015343762 [0,2,0,0,0,1|1,0,0]=4 17016 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)C)F 22a_100010254531_100000070787 [0,2,0,0,0,1|1,0,0]=4 17017 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)C)F 527a_100010254531_100103153847 [0,2,0,0,0,1|1,0,0]=4 17018 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)Cl)Cl 11a_100010735061_100015343762 [0,2,0,0,0,1|1,0,0]=4 17019 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)Cl)Cl 1626a_100010735061_100015343762 [0,2,0,0,0,1|1,0,0]=4 17020 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)Cl)Cl 22a_100010735061_100000070787 [0,2,0,0,0,1|1,0,0]=4 17021 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)Cl)Cl 527a_100010735061_100103153847 [0,2,0,0,0,1|1,0,0]=4 17022 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)F)Br 11a_100010209666_100015343762 [0,2,0,0,0,1|1,0,0]=4 17023 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)F)Br 1626a_100010209666_100015343762 [0,2,0,0,0,1|1,0,0]=4 17024 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)F)Br 22a_100010209666_100000070787 [0,2,0,0,0,1|1,0,0]=4 17025 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)F)Br 527a_100010209666_100103153847 [0,2,0,0,0,1|1,0,0]=4 17026 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)F)F 11a_100009816004_100015343762 [0,2,0,0,0,1|1,0,0]=4 17027 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)F)F 1626a_100009816004_100015343762 [0,2,0,0,0,1|1,0,0]=4 17028 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)F)F 22a_100009816004_100000070787 [0,2,0,0,0,1|1,0,0]=4 17029 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)F)F 527a_100009816004_100103153847 [0,2,0,0,0,1|1,0,0]=4 17030 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)Br 22a_200000186426_100000070787 [0,2,0,0,0,1|1,0,0]=4 17031 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)Br 527a_200000186426_100103153847 [0,2,0,0,0,1|1,0,0]=4 17032 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)C 11a_100010064301_100015343762 [0,2,0,0,0,1|0,0,0]=3 17033 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)C 22a_100010064301_100000070787 [0,2,0,0,0,1|0,0,0]=3 17034 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)C 527a_100010064301_100103153847 [0,2,0,0,0,1|0,0,0]=3 17035 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)Br)C 11a_100000684802_100015343762 [0,2,0,0,0,1|0,0,0]=3 17036 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)Br)C 1626a_100000684802_100015343762 [0,2,0,0,0,1|0,0,0]=3 17037 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)Br)C 22a_100000684802_100000070787 [0,2,0,0,0,1|0,0,0]=3 17038 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)Br)C 527a_100000684802_100103153847 [0,2,0,0,0,1|0,0,0]=3 17039 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)C)C 11a_100000074974_100015343762 [0,2,0,0,0,1|0,0,0]=3 17040 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)C)C 1626a_100000074974_100015343762 [0,2,0,0,0,1|0,0,0]=3 17041 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)C)C 22a_100000074974_100000070787 [0,2,0,0,0,1|0,0,0]=3 17042 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)C)C 527a_100000074974_100103153847 [0,2,0,0,0,1|0,0,0]=3 17043 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)F)C 11a_100000061604_100015343762 [0,2,0,0,0,1|0,0,0]=3 17044 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)F)C 1626a_100000061604_100015343762 [0,2,0,0,0,1|0,0,0]=3 17045 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)F)C 22a_100000061604_100000070787 [0,2,0,0,0,1|0,0,0]=3 17046 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)F)C 527a_100000061604_100103153847 [0,2,0,0,0,1|0,0,0]=3 17047 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)I)C 11a_100000215964_100015343762 [0,2,0,0,0,1|0,0,0]=3 17048 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)I)C 1626a_100000215964_100015343762 [0,2,0,0,0,1|0,0,0]=3 17049 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)I)C 22a_100000215964_100000070787 [0,2,0,0,0,1|0,0,0]=3 17050 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)I)C 527a_100000215964_100103153847 [0,2,0,0,0,1|0,0,0]=3 17051 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 11a_100000703291_100015343762 [0,2,0,0,0,1|0,0,0]=3 17052 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 1626a_100000703291_100015343762 [0,2,0,0,0,1|0,0,0]=3 17053 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 22a_100000703291_100000070787 [0,2,0,0,0,1|0,0,0]=3 17054 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 271570a_203496583355_200012340666 [0,2,0,0,0,1|0,0,0]=3 17055 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 527a_100000703291_100103153847 [0,2,0,0,0,1|0,0,0]=3 17056 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Br)Cl 11a_100010212259_100015343762 [0,2,0,0,0,1|1,0,0]=4 17057 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Br)Cl 1626a_100010212259_100015343762 [0,2,0,0,0,1|1,0,0]=4 17058 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Br)Cl 22a_100010212259_100000070787 [0,2,0,0,0,1|1,0,0]=4 17059 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Br)Cl 527a_100010212259_100103153847 [0,2,0,0,0,1|1,0,0]=4 17060 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Br)F 11a_100000728458_100015343762 [0,2,0,0,0,1|1,0,0]=4 17061 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Br)F 1626a_100000728458_100015343762 [0,2,0,0,0,1|1,0,0]=4 17062 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Br)F 22a_100000728458_100000070787 [0,2,0,0,0,1|1,0,0]=4 17063 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Br)F 527a_100000728458_100103153847 [0,2,0,0,0,1|1,0,0]=4 17064 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)C)Cl 11a_100000745310_100015343762 [0,2,0,0,0,1|1,0,0]=4 17065 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)C)Cl 1626a_100000745310_100015343762 [0,2,0,0,0,1|1,0,0]=4 17066 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)C)Cl 22a_100000745310_100000070787 [0,2,0,0,0,1|1,0,0]=4 17067 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)C)Cl 527a_100000745310_100103153847 [0,2,0,0,0,1|1,0,0]=4 17068 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Cl)C 11a_100009830880_100015343762 [0,2,0,0,0,1|0,0,0]=3 17069 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Cl)C 1626a_100009830880_100015343762 [0,2,0,0,0,1|0,0,0]=3 17070 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Cl)C 22a_100009830880_100000070787 [0,2,0,0,0,1|0,0,0]=3 17071 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Cl)C 527a_100009830880_100103153847 [0,2,0,0,0,1|0,0,0]=3 17072 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Cl)Cl 11a_100000037808_100015343762 [0,2,0,0,0,1|1,0,0]=4 17073 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Cl)Cl 1626a_100000037808_100015343762 [0,2,0,0,0,1|1,0,0]=4 17074 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Cl)Cl 22a_100000037808_100000070787 [0,2,0,0,0,1|1,0,0]=4 17075 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Cl)F 11a_100012961779_100015343762 [0,2,0,0,0,1|1,0,0]=4 17076 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Cl)F 1626a_100012961779_100015343762 [0,2,0,0,0,1|1,0,0]=4 17077 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Cl)O 22a_100015839415_100000070787 [0,2,0,0,0,1|1,0,0]=4 17078 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)F)Cl 11a_100000700460_100015343762 [0,2,0,0,0,1|1,0,0]=4 17079 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)F)Cl 1626a_100000700460_100015343762 [0,2,0,0,0,1|1,0,0]=4 17080 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)F)Cl 22a_100000700460_100000070787 [0,2,0,0,0,1|1,0,0]=4 17081 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)F)F 11a_200009857453_100015343762 [0,2,0,0,0,1|1,0,0]=4 17082 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)F)F 1626a_200009857453_100015343762 [0,2,0,0,0,1|1,0,0]=4 17083 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)F)F 22a_200009857453_100000070787 [0,2,0,0,0,1|1,0,0]=4 17084 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)I)F 11a_100014833993_100015343762 [0,2,0,0,0,1|1,0,0]=4 17085 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)I)F 1626a_100014833993_100015343762 [0,2,0,0,0,1|1,0,0]=4 17086 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)O)Cl 22a_100000695418_100000070787 [0,2,0,0,0,1|1,0,0]=4 17087 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)O)Cl 271570a_203496583355_106256037338 [0,2,0,0,0,1|1,0,0]=4 17088 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)O)Cl 527a_100000695418_100103153847 [0,2,0,0,0,1|1,0,0]=4 17089 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)Br)C 11a_100010115923_100015343762 [0,2,0,0,0,1|0,0,0]=3 17090 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)Br)C 1626a_100010115923_100015343762 [0,2,0,0,0,1|0,0,0]=3 17091 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)Br)C 22a_100010115923_100000070787 [0,2,0,0,0,1|0,0,0]=3 17092 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)Br)C 527a_100010115923_100103153847 [0,2,0,0,0,1|0,0,0]=3 17093 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)Br)F 11a_100000687227_100015343762 [0,2,0,0,0,1|1,0,0]=4 17094 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)Br)F 1626a_100000687227_100015343762 [0,2,0,0,0,1|1,0,0]=4 17095 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)Br)F 527a_100000687227_100103153847 [0,2,0,0,0,1|1,0,0]=4 17096 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)C)F 11a_100011216606_100015343762 [0,2,0,0,0,1|1,0,0]=4 17097 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)C)F 1626a_100011216606_100015343762 [0,2,0,0,0,1|1,0,0]=4 17098 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)C)F 22a_100011216606_100000070787 [0,2,0,0,0,1|1,0,0]=4 17099 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)C)F 527a_100011216606_100103153847 [0,2,0,0,0,1|1,0,0]=4 17100 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)Cl)F 11a_100000094121_100015343762 [0,2,0,0,0,1|1,0,0]=4 17101 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)Cl)F 1626a_100000094121_100015343762 [0,2,0,0,0,1|1,0,0]=4 17102 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)F)C 11a_100010704045_100015343762 [0,2,0,0,0,1|0,0,0]=3 17103 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)F)C 1626a_100010704045_100015343762 [0,2,0,0,0,1|0,0,0]=3 17104 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)F)C 22a_100010704045_100000070787 [0,2,0,0,0,1|0,0,0]=3 17105 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)F)C 527a_100010704045_100103153847 [0,2,0,0,0,1|0,0,0]=3 17106 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)F)F 11a_100000750163_100015343762 [0,2,0,0,0,1|1,0,0]=4 17107 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)F)F 1626a_100000750163_100015343762 [0,2,0,0,0,1|1,0,0]=4 17108 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)F)F 22a_100000750163_100000070787 [0,2,0,0,0,1|1,0,0]=4 17109 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)I)F 11a_100000057532_100015343762 [0,2,0,0,0,1|1,0,0]=4 17110 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)I)F 1626a_100000057532_100015343762 [0,2,0,0,0,1|1,0,0]=4 17111 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)I)F 22a_100000057532_100000070787 [0,2,0,0,0,1|1,0,0]=4 17112 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)O)F 1626a_100016987357_100015343762 [0,2,0,0,0,1|1,0,0]=4 17113 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)O)F 22a_100016987357_100000070787 [0,2,0,0,0,1|1,0,0]=4 17114 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)O)F 527a_100016987357_100103153847 [0,2,0,0,0,1|1,0,0]=4 17115 B13R1.3763 Cc1cc(cc(c1F)C)CC(=O)[13CH3] 1458a_100000069598_200025704644 [0,2,0,0,0,1|0,0,0]=3 17116 B13R1.3763 Cc1cc(cc(c1O)C)CC(=O)[13CH3] 1458a_200000099080_200025704644 [0,2,0,0,0,1|0,0,0]=3 17117 B13R1.3763 [13CH3]C(=O)Cc1cc(c(c(c1)Br)O)Br 1458a_100009996861_200025704644 [0,2,0,0,0,1|1,0,0]=4 17118 B13R1.3763 [13CH3]C(=O)Cc1cc(c(c(c1)F)F)F 1458a_100011217689_200025704644 [0,2,0,0,0,1|1,0,0]=4 17119 B13R1.20 C#CCC(=O)Cc1cc(ccn1)C 1458a_100011220946_100000718516 [0,2,0,0,0,1|1,0,0]=4 17120 B13R1.20 C#CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000184674 [0,2,0,0,0,1|1,0,0]=4 17121 B13R1.20 C#CCC(=O)Cc1cccc(c1)Br 1458a_100011220946_100000211773 [0,2,0,0,0,1|1,0,0]=4 17122 B13R1.20 C#CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000184674 [0,2,0,0,0,1|0,0,0]=3 17123 B13R1.20 C#CCC(=O)Cc1cccc(c1)C 1458a_100011220946_100000211840 [0,2,0,0,0,1|0,0,0]=3 17124 B13R1.20 C#CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000184674 [0,2,0,0,0,1|1,0,0]=4 17125 B13R1.20 C#CCC(=O)Cc1cccc(c1)Cl 1458a_100011220946_100000181238 [0,2,0,0,0,1|1,0,0]=4 17126 B13R1.20 C#CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000184674 [0,2,0,0,0,1|1,0,0]=4 17127 B13R1.20 C#CCC(=O)Cc1cccc(c1)F 1458a_100011220946_100000230114 [0,2,0,0,0,1|1,0,0]=4 17128 B13R1.20 C#CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000184674 [0,2,0,0,0,1|1,0,0]=4 17129 B13R1.20 C#CCC(=O)Cc1cccc(c1)I 1458a_100011220946_100011218688 [0,2,0,0,0,1|1,0,0]=4 17130 B13R1.20 C#CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000184674 [0,2,0,0,0,1|1,0,0]=4 17131 B13R1.20 C#CCC(=O)Cc1cccc(c1)O 1458a_100011220946_100011660834 [0,2,0,0,0,1|1,0,0]=4 17132 B13R1.20 C#CCC(=O)Cc1cccc(n1)C 1458a_100011220946_100000757606 [0,2,0,0,0,1|1,0,0]=4 17133 B13R1.20 C#CCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000184674 [0,2,0,0,0,1|1,0,0]=4 17134 B13R1.20 C#CCC(=O)Cc1ccnc(c1)C 1458a_100011220946_200020672517 [0,2,0,0,0,1|1,0,0]=4 17135 B13R1.20 C#CCC(=O)Cc1cncc(c1)C 1458a_100011220946_100000716715 [0,2,0,0,0,1|1,0,0]=4 17136 B13R1.20 C#CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100011220946 [0,2,0,0,0,1|1,0,0]=4 17137 B13R1.20 C#CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100011220946 [0,2,0,0,0,1|1,0,0]=4 17138 B13R1.20 C#CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100011220946 [0,2,0,0,0,1|0,0,0]=3 17139 B13R1.20 C#CCC(=O)Nc1cccc(c1)C 527a_100000188690_100011220946 [0,2,0,0,0,1|0,0,0]=3 17140 B13R1.20 C#CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100011220946 [0,2,0,0,0,1|1,0,0]=4 17141 B13R1.20 C#CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100011220946 [0,2,0,0,0,1|1,0,0]=4 17142 B13R1.20 C#CCC(=O)Nc1cccc(c1)F 527a_100000210047_100011220946 [0,2,0,0,0,1|1,0,0]=4 17143 B13R1.20 C#CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100011220946 [0,2,0,0,0,1|1,0,0]=4 17144 B13R1.20 C#CCC(=O)Nc1cccc(c1)I 527a_100000211102_100011220946 [0,2,0,0,0,1|1,0,0]=4 17145 B13R1.20 C#CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100011220946 [0,2,0,0,0,1|1,0,0]=4 17146 B13R1.20 C#CCC(=O)Nc1cccc(c1)O 527a_100000210217_100011220946 [0,2,0,0,0,1|1,0,0]=4 17147 B13R1.20 C=CCC(=O)Cc1cc(ccn1)C 1458a_100000210193_100000718516 [0,2,0,0,0,1|1,0,0]=4 17148 B13R1.20 C=CCC(=O)Cc1cccc(c1)Br 1458a_100000210193_100000211773 [0,2,0,0,0,1|1,0,0]=4 17149 B13R1.20 C=CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210623 [0,2,0,0,0,1|1,0,0]=4 17150 B13R1.20 C=CCC(=O)Cc1cccc(c1)C 1458a_100000210193_100000211840 [0,2,0,0,0,1|0,0,0]=3 17151 B13R1.20 C=CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210623 [0,2,0,0,0,1|0,0,0]=3 17152 B13R1.20 C=CCC(=O)Cc1cccc(c1)Cl 1458a_100000210193_100000181238 [0,2,0,0,0,1|1,0,0]=4 17153 B13R1.20 C=CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210623 [0,2,0,0,0,1|1,0,0]=4 17154 B13R1.20 C=CCC(=O)Cc1cccc(c1)F 1458a_100000210193_100000230114 [0,2,0,0,0,1|1,0,0]=4 17155 B13R1.20 C=CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210623 [0,2,0,0,0,1|1,0,0]=4 17156 B13R1.20 C=CCC(=O)Cc1cccc(c1)I 1458a_100000210193_100011218688 [0,2,0,0,0,1|1,0,0]=4 17157 B13R1.20 C=CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210623 [0,2,0,0,0,1|1,0,0]=4 17158 B13R1.20 C=CCC(=O)Cc1cccc(c1)O 1458a_100000210193_100011660834 [0,2,0,0,0,1|1,0,0]=4 17159 B13R1.20 C=CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210623 [0,2,0,0,0,1|1,0,0]=4 17160 B13R1.20 C=CCC(=O)Cc1cccc(n1)C 1458a_100000210193_100000757606 [0,2,0,0,0,1|1,0,0]=4 17161 B13R1.20 C=CCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210623 [0,2,0,0,0,1|1,0,0]=4 17162 B13R1.20 C=CCC(=O)Cc1ccnc(c1)C 1458a_100000210193_200020672517 [0,2,0,0,0,1|1,0,0]=4 17163 B13R1.20 C=CCC(=O)Cc1cncc(c1)C 1458a_100000210193_100000716715 [0,2,0,0,0,1|1,0,0]=4 17164 B13R1.20 C=CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210193 [0,2,0,0,0,1|1,0,0]=4 17165 B13R1.20 C=CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210193 [0,2,0,0,0,1|1,0,0]=4 17166 B13R1.20 C=CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210193 [0,2,0,0,0,1|1,0,0]=4 17167 B13R1.20 C=CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210193 [0,2,0,0,0,1|1,0,0]=4 17168 B13R1.20 C=CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210193 [0,2,0,0,0,1|0,0,0]=3 17169 B13R1.20 C=CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210193 [0,2,0,0,0,1|0,0,0]=3 17170 B13R1.20 C=CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210193 [0,2,0,0,0,1|0,0,0]=3 17171 B13R1.20 C=CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210193 [0,2,0,0,0,1|0,0,0]=3 17172 B13R1.20 C=CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210193 [0,2,0,0,0,1|1,0,0]=4 17173 B13R1.20 C=CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210193 [0,2,0,0,0,1|1,0,0]=4 17174 B13R1.20 C=CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210193 [0,2,0,0,0,1|1,0,0]=4 17175 B13R1.20 C=CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210193 [0,2,0,0,0,1|1,0,0]=4 17176 B13R1.20 C=CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210193 [0,2,0,0,0,1|1,0,0]=4 17177 B13R1.20 C=CCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210193 [0,2,0,0,0,1|1,0,0]=4 17178 B13R1.20 C=CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210193 [0,2,0,0,0,1|1,0,0]=4 17179 B13R1.20 C=CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210193 [0,2,0,0,0,1|1,0,0]=4 17180 B13R1.20 C=CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210193 [0,2,0,0,0,1|1,0,0]=4 17181 B13R1.20 C=CCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210193 [0,2,0,0,0,1|1,0,0]=4 17182 B13R1.20 C=CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210193 [0,2,0,0,0,1|1,0,0]=4 17183 B13R1.20 C=CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210193 [0,2,0,0,0,1|1,0,0]=4 17184 B13R1.20 C=CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210193 [0,2,0,0,0,1|1,0,0]=4 17185 B13R1.20 C=CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210193 [0,2,0,0,0,1|1,0,0]=4 17186 B13R1.20 CC#CC(=O)Cc1cc(ccn1)C 1458a_100000763181_100000718516 [0,2,0,0,0,1|1,0,0]=4 17187 B13R1.20 CC#CC(=O)Cc1cccc(c1)Br 1458a_100000763181_100000211773 [0,2,0,0,0,1|1,0,0]=4 17188 B13R1.20 CC#CC(=O)Cc1cccc(c1)C 1458a_100000763181_100000211840 [0,2,0,0,0,1|0,0,0]=3 17189 B13R1.20 CC#CC(=O)Cc1cccc(c1)Cl 1458a_100000763181_100000181238 [0,2,0,0,0,1|1,0,0]=4 17190 B13R1.20 CC#CC(=O)Cc1cccc(c1)F 1458a_100000763181_100000230114 [0,2,0,0,0,1|1,0,0]=4 17191 B13R1.20 CC#CC(=O)Cc1cccc(c1)I 1458a_100000763181_100011218688 [0,2,0,0,0,1|1,0,0]=4 17192 B13R1.20 CC#CC(=O)Cc1cccc(c1)O 1458a_100000763181_100011660834 [0,2,0,0,0,1|1,0,0]=4 17193 B13R1.20 CC#CC(=O)Cc1cccc(n1)C 1458a_100000763181_100000757606 [0,2,0,0,0,1|1,0,0]=4 17194 B13R1.20 CC#CC(=O)Cc1ccnc(c1)C 1458a_100000763181_200020672517 [0,2,0,0,0,1|1,0,0]=4 17195 B13R1.20 CC#CC(=O)Cc1cncc(c1)C 1458a_100000763181_100000716715 [0,2,0,0,0,1|1,0,0]=4 17196 B13R1.20 CC#CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000763181 [0,2,0,0,0,1|1,0,0]=4 17197 B13R1.20 CC#CC(=O)Nc1cccc(c1)C 22a_100000188690_100000763181 [0,2,0,0,0,1|0,0,0]=3 17198 B13R1.20 CC#CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000763181 [0,2,0,0,0,1|1,0,0]=4 17199 B13R1.20 CC#CC(=O)Nc1cccc(c1)F 22a_100000210047_100000763181 [0,2,0,0,0,1|1,0,0]=4 17200 B13R1.20 CC#CC(=O)Nc1cccc(c1)I 22a_100000211102_100000763181 [0,2,0,0,0,1|1,0,0]=4 17201 B13R1.20 CC#CC(=O)Nc1cccc(c1)O 22a_100000210217_100000763181 [0,2,0,0,0,1|1,0,0]=4 17202 B13R1.20 CC=CC(=O)Cc1cc(ccn1)C 1458a_100000210699_100000718516 [0,2,0,0,0,1|1,0,0]=4 17203 B13R1.20 CC=CC(=O)Cc1cccc(c1)Br 1458a_100000210699_100000211773 [0,2,0,0,0,1|1,0,0]=4 17204 B13R1.20 CC=CC(=O)Cc1cccc(c1)C 1458a_100000210699_100000211840 [0,2,0,0,0,1|0,0,0]=3 17205 B13R1.20 CC=CC(=O)Cc1cccc(c1)Cl 1458a_100000210699_100000181238 [0,2,0,0,0,1|1,0,0]=4 17206 B13R1.20 CC=CC(=O)Cc1cccc(c1)F 1458a_100000210699_100000230114 [0,2,0,0,0,1|1,0,0]=4 17207 B13R1.20 CC=CC(=O)Cc1cccc(c1)I 1458a_100000210699_100011218688 [0,2,0,0,0,1|1,0,0]=4 17208 B13R1.20 CC=CC(=O)Cc1cccc(c1)O 1458a_100000210699_100011660834 [0,2,0,0,0,1|1,0,0]=4 17209 B13R1.20 CC=CC(=O)Cc1cccc(n1)C 1458a_100000210699_100000757606 [0,2,0,0,0,1|1,0,0]=4 17210 B13R1.20 CC=CC(=O)Cc1ccnc(c1)C 1458a_100000210699_200020672517 [0,2,0,0,0,1|1,0,0]=4 17211 B13R1.20 CC=CC(=O)Cc1cncc(c1)C 1458a_100000210699_100000716715 [0,2,0,0,0,1|1,0,0]=4 17212 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210699 [0,2,0,0,0,1|1,0,0]=4 17213 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210699 [0,2,0,0,0,1|1,0,0]=4 17214 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210699 [0,2,0,0,0,1|1,0,0]=4 17215 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 11a_100000188690_100000210699 [0,2,0,0,0,1|0,0,0]=3 17216 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210699 [0,2,0,0,0,1|0,0,0]=3 17217 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000210699 [0,2,0,0,0,1|0,0,0]=3 17218 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210699 [0,2,0,0,0,1|1,0,0]=4 17219 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210699 [0,2,0,0,0,1|1,0,0]=4 17220 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210699 [0,2,0,0,0,1|1,0,0]=4 17221 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 11a_100000210047_100000210699 [0,2,0,0,0,1|1,0,0]=4 17222 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210699 [0,2,0,0,0,1|1,0,0]=4 17223 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000210699 [0,2,0,0,0,1|1,0,0]=4 17224 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 11a_100000211102_100000210699 [0,2,0,0,0,1|1,0,0]=4 17225 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210699 [0,2,0,0,0,1|1,0,0]=4 17226 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000210699 [0,2,0,0,0,1|1,0,0]=4 17227 B13R1.20 CC=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210699 [0,2,0,0,0,1|1,0,0]=4 17228 B13R1.20 CC=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000210699 [0,2,0,0,0,1|1,0,0]=4 17229 B13R1.20 CCCC(=O)Cc1cc(ccn1)C 1458a_100000211992_100000718516 [0,2,0,0,0,1|1,0,0]=4 17230 B13R1.20 CCCC(=O)Cc1cccc(c1)Br 1458a_100000211992_100000211773 [0,2,0,0,0,1|1,0,0]=4 17231 B13R1.20 CCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210303 [0,2,0,0,0,1|1,0,0]=4 17232 B13R1.20 CCCC(=O)Cc1cccc(c1)C 1458a_100000211992_100000211840 [0,2,0,0,0,1|0,0,0]=3 17233 B13R1.20 CCCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210303 [0,2,0,0,0,1|0,0,0]=3 17234 B13R1.20 CCCC(=O)Cc1cccc(c1)Cl 1458a_100000211992_100000181238 [0,2,0,0,0,1|1,0,0]=4 17235 B13R1.20 CCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210303 [0,2,0,0,0,1|1,0,0]=4 17236 B13R1.20 CCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210303 [0,2,0,0,0,1|1,0,0]=4 17237 B13R1.20 CCCC(=O)Cc1cccc(c1)F 1458a_100000211992_100000230114 [0,2,0,0,0,1|1,0,0]=4 17238 B13R1.20 CCCC(=O)Cc1cccc(c1)I 1458a_100000211992_100011218688 [0,2,0,0,0,1|1,0,0]=4 17239 B13R1.20 CCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210303 [0,2,0,0,0,1|1,0,0]=4 17240 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000211992_100011660834 [0,2,0,0,0,1|1,0,0]=4 17241 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210303 [0,2,0,0,0,1|1,0,0]=4 17242 B13R1.20 CCCC(=O)Cc1cccc(n1)C 1458a_100000211992_100000757606 [0,2,0,0,0,1|1,0,0]=4 17243 B13R1.20 CCCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210303 [0,2,0,0,0,1|1,0,0]=4 17244 B13R1.20 CCCC(=O)Cc1ccnc(c1)C 1458a_100000211992_200020672517 [0,2,0,0,0,1|1,0,0]=4 17245 B13R1.20 CCCC(=O)Cc1cncc(c1)C 1458a_100000211992_100000716715 [0,2,0,0,0,1|1,0,0]=4 17246 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000211992 [0,2,0,0,0,1|1,0,0]=4 17247 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000211992 [0,2,0,0,0,1|1,0,0]=4 17248 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000211992 [0,2,0,0,0,1|1,0,0]=4 17249 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000211992 [0,2,0,0,0,1|1,0,0]=4 17250 B13R1.20 CCCC(=O)Nc1cccc(c1)C 11a_100000188690_100000211992 [0,2,0,0,0,1|0,0,0]=3 17251 B13R1.20 CCCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000211992 [0,2,0,0,0,1|0,0,0]=3 17252 B13R1.20 CCCC(=O)Nc1cccc(c1)C 22a_100000188690_100000211992 [0,2,0,0,0,1|0,0,0]=3 17253 B13R1.20 CCCC(=O)Nc1cccc(c1)C 527a_100000188690_100000211992 [0,2,0,0,0,1|0,0,0]=3 17254 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000211992 [0,2,0,0,0,1|1,0,0]=4 17255 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000211992 [0,2,0,0,0,1|1,0,0]=4 17256 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000211992 [0,2,0,0,0,1|1,0,0]=4 17257 B13R1.20 CCCC(=O)Nc1cccc(c1)F 11a_100000210047_100000211992 [0,2,0,0,0,1|1,0,0]=4 17258 B13R1.20 CCCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000211992 [0,2,0,0,0,1|1,0,0]=4 17259 B13R1.20 CCCC(=O)Nc1cccc(c1)F 22a_100000210047_100000211992 [0,2,0,0,0,1|1,0,0]=4 17260 B13R1.20 CCCC(=O)Nc1cccc(c1)F 527a_100000210047_100000211992 [0,2,0,0,0,1|1,0,0]=4 17261 B13R1.20 CCCC(=O)Nc1cccc(c1)I 11a_100000211102_100000211992 [0,2,0,0,0,1|1,0,0]=4 17262 B13R1.20 CCCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000211992 [0,2,0,0,0,1|1,0,0]=4 17263 B13R1.20 CCCC(=O)Nc1cccc(c1)I 22a_100000211102_100000211992 [0,2,0,0,0,1|1,0,0]=4 17264 B13R1.20 CCCC(=O)Nc1cccc(c1)I 527a_100000211102_100000211992 [0,2,0,0,0,1|1,0,0]=4 17265 B13R1.20 CCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000211992 [0,2,0,0,0,1|1,0,0]=4 17266 B13R1.20 CCCC(=O)Nc1cccc(c1)O 22a_100000210217_100000211992 [0,2,0,0,0,1|1,0,0]=4 17267 B13R1.20 CCCC(=O)Nc1cccc(c1)O 527a_100000210217_100000211992 [0,2,0,0,0,1|1,0,0]=4 17268 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 11a_100015525214_100000747190 [0,2,0,0,0,1|1,0,0]=4 17269 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 240690a_100015525214_100000747190 [0,2,0,0,0,1|1,0,0]=4 17270 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 527a_100015525214_100000747190 [0,2,0,0,0,1|1,0,0]=4 17271 B13R1.20 CCNC(=O)Cc1cccc(c1)C 11a_100015525214_100011206899 [0,2,0,0,0,1|0,0,0]=3 17272 B13R1.20 CCNC(=O)Cc1cccc(c1)C 240690a_100015525214_100011206899 [0,2,0,0,0,1|0,0,0]=3 17273 B13R1.20 CCNC(=O)Cc1cccc(c1)C 527a_100015525214_100011206899 [0,2,0,0,0,1|0,0,0]=3 17274 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 11a_100015525214_100000749307 [0,2,0,0,0,1|1,0,0]=4 17275 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 240690a_100015525214_100000749307 [0,2,0,0,0,1|1,0,0]=4 17276 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 527a_100015525214_100000749307 [0,2,0,0,0,1|1,0,0]=4 17277 B13R1.20 CCNC(=O)Cc1cccc(c1)F 11a_100015525214_100000211661 [0,2,0,0,0,1|1,0,0]=4 17278 B13R1.20 CCNC(=O)Cc1cccc(c1)F 240690a_100015525214_100000211661 [0,2,0,0,0,1|1,0,0]=4 17279 B13R1.20 CCNC(=O)Cc1cccc(c1)F 527a_100015525214_100000211661 [0,2,0,0,0,1|1,0,0]=4 17280 B13R1.20 CCNC(=O)Cc1cccc(c1)I 11a_100015525214_100000238430 [0,2,0,0,0,1|1,0,0]=4 17281 B13R1.20 CCNC(=O)Cc1cccc(c1)I 240690a_100015525214_100000238430 [0,2,0,0,0,1|1,0,0]=4 17282 B13R1.20 CCNC(=O)Cc1cccc(c1)I 527a_100015525214_100000238430 [0,2,0,0,0,1|1,0,0]=4 17283 B13R1.20 CCNC(=O)Cc1cccc(c1)O 240690a_100015525214_100000745134 [0,2,0,0,0,1|1,0,0]=4 17284 B13R1.20 CCNC(=O)Cc1cccc(c1)O 527a_100015525214_100000745134 [0,2,0,0,0,1|1,0,0]=4 17285 B13R1.20 CCNC(=O)Cc1cccc(n1)C 11a_100015525214_100012001110 [0,2,0,0,0,1|1,0,0]=4 17286 B13R1.20 CCNC(=O)Cc1cccc(n1)C 240690a_100015525214_100012001110 [0,2,0,0,0,1|1,0,0]=4 17287 B13R1.20 CCNC(=O)Cc1cccc(n1)C 527a_100015525214_100012001110 [0,2,0,0,0,1|1,0,0]=4 17288 B13R1.20 CCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100015525214 [0,2,0,0,0,1|1,0,0]=4 17289 B13R1.20 CCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100015525214 [0,2,0,0,0,1|1,0,0]=4 17290 B13R1.20 CCNC(=O)Nc1cccc(c1)C 2430a_100000188690_100015525214 [0,2,0,0,0,1|0,0,0]=3 17291 B13R1.20 CCNC(=O)Nc1cccc(c1)C 512a_100000188690_100015525214 [0,2,0,0,0,1|0,0,0]=3 17292 B13R1.20 CCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100015525214 [0,2,0,0,0,1|1,0,0]=4 17293 B13R1.20 CCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100015525214 [0,2,0,0,0,1|1,0,0]=4 17294 B13R1.20 CCNC(=O)Nc1cccc(c1)F 512a_100000210047_100015525214 [0,2,0,0,0,1|1,0,0]=4 17295 B13R1.20 CCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100015525214 [0,2,0,0,0,1|1,0,0]=4 17296 B13R1.20 CCNC(=O)Nc1cccc(c1)I 512a_100000211102_100015525214 [0,2,0,0,0,1|1,0,0]=4 17297 B13R1.20 CCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100015525214 [0,2,0,0,0,1|1,0,0]=4 17298 B13R1.20 CCNC(=O)Nc1cccc(c1)O 512a_100000210217_100015525214 [0,2,0,0,0,1|1,0,0]=4 17299 B13R1.20 CCOC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586817 [0,2,0,0,0,1|1,0,0]=4 17300 B13R1.20 CNCC(=O)Nc1cccc(c1)Br 2230a_106832991635_100000183509 [0,2,0,0,0,1|1,0,0]=4 17301 B13R1.20 CNCC(=O)Nc1cccc(c1)Br 34a_100102657272_100000183509 [0,2,0,0,0,1|1,0,0]=4 17302 B13R1.20 CNCC(=O)Nc1cccc(c1)Br 7a_106832991635_100000183509 [0,2,0,0,0,1|1,0,0]=4 17303 B13R1.20 CNCC(=O)Nc1cccc(c1)C 2230a_106832991635_100000182861 [0,2,0,0,0,1|0,0,0]=3 17304 B13R1.20 CNCC(=O)Nc1cccc(c1)C 34a_100102657272_100000182861 [0,2,0,0,0,1|0,0,0]=3 17305 B13R1.20 CNCC(=O)Nc1cccc(c1)C 7a_106832991635_100000182861 [0,2,0,0,0,1|0,0,0]=3 17306 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 2230a_100102560372_200000210301 [0,2,0,0,0,1|1,0,0]=4 17307 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 2230a_106832991635_100000182995 [0,2,0,0,0,1|1,0,0]=4 17308 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 34a_100102657272_100000182995 [0,2,0,0,0,1|1,0,0]=4 17309 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 7a_106832991635_100000182995 [0,2,0,0,0,1|1,0,0]=4 17310 B13R1.20 CNCC(=O)Nc1cccc(c1)F 2230a_100000168492_200000210301 [0,2,0,0,0,1|1,0,0]=4 17311 B13R1.20 CNCC(=O)Nc1cccc(c1)F 2230a_106832991635_100000183335 [0,2,0,0,0,1|1,0,0]=4 17312 B13R1.20 CNCC(=O)Nc1cccc(c1)F 34a_100000168492_200000210301 [0,2,0,0,0,1|1,0,0]=4 17313 B13R1.20 CNCC(=O)Nc1cccc(c1)F 34a_100102657272_100000183335 [0,2,0,0,0,1|1,0,0]=4 17314 B13R1.20 CNCC(=O)Nc1cccc(c1)F 7a_106832991635_100000183335 [0,2,0,0,0,1|1,0,0]=4 17315 B13R1.20 CNCC(=O)Nc1cccc(c1)O 2230a_106832991635_100011236192 [0,2,0,0,0,1|1,0,0]=4 17316 B13R1.20 CNCC(=O)Nc1cccc(c1)O 34a_100102657272_100011236192 [0,2,0,0,0,1|1,0,0]=4 17317 B13R1.20 CNCC(=O)Nc1cccc(c1)O 7a_106832991635_100011236192 [0,2,0,0,0,1|1,0,0]=4 17318 B13R1.20 CNCC(=O)Nc1cccc(n1)C 2230a_106832991635_103633700106 [0,2,0,0,0,1|1,0,0]=4 17319 B13R1.20 CNCC(=O)Nc1cccc(n1)C 34a_100102657272_103633700106 [0,2,0,0,0,1|1,0,0]=4 17320 B13R1.20 CNNC(=O)Cc1cccc(c1)Br 22a_100016993582_100000747190 [0,2,0,0,0,1|1,0,0]=4 17321 B13R1.20 CNNC(=O)Cc1cccc(c1)C 22a_100016993582_100011206899 [0,2,0,0,0,1|0,0,0]=3 17322 B13R1.20 CNNC(=O)Cc1cccc(c1)Cl 22a_100016993582_100000749307 [0,2,0,0,0,1|1,0,0]=4 17323 B13R1.20 CNNC(=O)Cc1cccc(c1)F 22a_100016993582_100000211661 [0,2,0,0,0,1|1,0,0]=4 17324 B13R1.20 CNNC(=O)Cc1cccc(c1)I 22a_100016993582_100000238430 [0,2,0,0,0,1|1,0,0]=4 17325 B13R1.20 CNNC(=O)Cc1cccc(c1)O 22a_100016993582_100000745134 [0,2,0,0,0,1|1,0,0]=4 17326 B13R1.20 CNNC(=O)Cc1cccc(n1)C 22a_100016993582_100012001110 [0,2,0,0,0,1|1,0,0]=4 17327 B13R1.20 CNNC(=O)Nc1cccc(c1)Br 512a_100000210019_100016993582 [0,2,0,0,0,1|1,0,0]=4 17328 B13R1.20 CNNC(=O)Nc1cccc(c1)C 512a_100000188690_100016993582 [0,2,0,0,0,1|0,0,0]=3 17329 B13R1.20 CNNC(=O)Nc1cccc(c1)F 512a_100000210047_100016993582 [0,2,0,0,0,1|1,0,0]=4 17330 B13R1.20 CNNC(=O)Nc1cccc(c1)I 512a_100000211102_100016993582 [0,2,0,0,0,1|1,0,0]=4 17331 B13R1.20 CNNC(=O)Nc1cccc(c1)O 512a_100000210217_100016993582 [0,2,0,0,0,1|1,0,0]=4 17332 B13R1.20 COCC(=O)Cc1cc(ccn1)C 1458a_100000210968_100000718516 [0,2,0,0,0,1|1,0,0]=4 17333 B13R1.20 COCC(=O)Cc1cccc(c1)Br 1458a_100000210968_100000211773 [0,2,0,0,0,1|1,0,0]=4 17334 B13R1.20 COCC(=O)Cc1cccc(c1)C 1458a_100000210968_100000211840 [0,2,0,0,0,1|0,0,0]=3 17335 B13R1.20 COCC(=O)Cc1cccc(c1)Cl 1458a_100000210968_100000181238 [0,2,0,0,0,1|1,0,0]=4 17336 B13R1.20 COCC(=O)Cc1cccc(c1)F 1458a_100000210968_100000230114 [0,2,0,0,0,1|1,0,0]=4 17337 B13R1.20 COCC(=O)Cc1cccc(c1)I 1458a_100000210968_100011218688 [0,2,0,0,0,1|1,0,0]=4 17338 B13R1.20 COCC(=O)Cc1cccc(c1)O 1458a_100000210968_100011660834 [0,2,0,0,0,1|1,0,0]=4 17339 B13R1.20 COCC(=O)Cc1cccc(n1)C 1458a_100000210968_100000757606 [0,2,0,0,0,1|1,0,0]=4 17340 B13R1.20 COCC(=O)Cc1ccnc(c1)C 1458a_100000210968_200020672517 [0,2,0,0,0,1|1,0,0]=4 17341 B13R1.20 COCC(=O)Cc1cncc(c1)C 1458a_100000210968_100000716715 [0,2,0,0,0,1|1,0,0]=4 17342 B13R1.20 COCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210968 [0,2,0,0,0,1|1,0,0]=4 17343 B13R1.20 COCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210968 [0,2,0,0,0,1|1,0,0]=4 17344 B13R1.20 COCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210968 [0,2,0,0,0,1|1,0,0]=4 17345 B13R1.20 COCC(=O)Nc1cccc(c1)Br 34a_100138415774_100000183509 [0,2,0,0,0,1|1,0,0]=4 17346 B13R1.20 COCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210968 [0,2,0,0,0,1|1,0,0]=4 17347 B13R1.20 COCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210968 [0,2,0,0,0,1|0,0,0]=3 17348 B13R1.20 COCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210968 [0,2,0,0,0,1|0,0,0]=3 17349 B13R1.20 COCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210968 [0,2,0,0,0,1|0,0,0]=3 17350 B13R1.20 COCC(=O)Nc1cccc(c1)C 34a_100000749660_200000210301 [0,2,0,0,0,1|0,0,0]=3 17351 B13R1.20 COCC(=O)Nc1cccc(c1)C 34a_100138415774_100000182861 [0,2,0,0,0,1|0,0,0]=3 17352 B13R1.20 COCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210968 [0,2,0,0,0,1|0,0,0]=3 17353 B13R1.20 COCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210968 [0,2,0,0,0,1|1,0,0]=4 17354 B13R1.20 COCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210968 [0,2,0,0,0,1|1,0,0]=4 17355 B13R1.20 COCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210968 [0,2,0,0,0,1|1,0,0]=4 17356 B13R1.20 COCC(=O)Nc1cccc(c1)Cl 34a_100138415774_100000182995 [0,2,0,0,0,1|1,0,0]=4 17357 B13R1.20 COCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210968 [0,2,0,0,0,1|1,0,0]=4 17358 B13R1.20 COCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210968 [0,2,0,0,0,1|1,0,0]=4 17359 B13R1.20 COCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210968 [0,2,0,0,0,1|1,0,0]=4 17360 B13R1.20 COCC(=O)Nc1cccc(c1)F 34a_100138415774_100000183335 [0,2,0,0,0,1|1,0,0]=4 17361 B13R1.20 COCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210968 [0,2,0,0,0,1|1,0,0]=4 17362 B13R1.20 COCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210968 [0,2,0,0,0,1|1,0,0]=4 17363 B13R1.20 COCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210968 [0,2,0,0,0,1|1,0,0]=4 17364 B13R1.20 COCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210968 [0,2,0,0,0,1|1,0,0]=4 17365 B13R1.20 COCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210968 [0,2,0,0,0,1|1,0,0]=4 17366 B13R1.20 COCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210968 [0,2,0,0,0,1|1,0,0]=4 17367 B13R1.20 COCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210968 [0,2,0,0,0,1|1,0,0]=4 17368 B13R1.20 COCC(=O)Nc1cccc(c1)O 271570a_203496583355_100000158352 [0,2,0,0,0,1|1,0,0]=4 17369 B13R1.20 COCC(=O)Nc1cccc(c1)O 34a_100138415774_100011236192 [0,2,0,0,0,1|1,0,0]=4 17370 B13R1.20 COCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210968 [0,2,0,0,0,1|1,0,0]=4 17371 B13R1.20 COCC(=O)Nc1cccc(n1)C 34a_100138415774_103633700106 [0,2,0,0,0,1|1,0,0]=4 17372 B13R1.20 CSCC(=O)Cc1cc(ccn1)C 1458a_100000184570_100000718516 [0,2,0,0,0,1|1,0,0]=4 17373 B13R1.20 CSCC(=O)Cc1cccc(c1)Br 1458a_100000184570_100000211773 [0,2,0,0,0,1|1,0,0]=4 17374 B13R1.20 CSCC(=O)Cc1cccc(c1)C 1458a_100000184570_100000211840 [0,2,0,0,0,1|0,0,0]=3 17375 B13R1.20 CSCC(=O)Cc1cccc(c1)Cl 1458a_100000184570_100000181238 [0,2,0,0,0,1|1,0,0]=4 17376 B13R1.20 CSCC(=O)Cc1cccc(c1)F 1458a_100000184570_100000230114 [0,2,0,0,0,1|1,0,0]=4 17377 B13R1.20 CSCC(=O)Cc1cccc(c1)I 1458a_100000184570_100011218688 [0,2,0,0,0,1|1,0,0]=4 17378 B13R1.20 CSCC(=O)Cc1cccc(c1)O 1458a_100000184570_100011660834 [0,2,0,0,0,1|1,0,0]=4 17379 B13R1.20 CSCC(=O)Cc1cccc(n1)C 1458a_100000184570_100000757606 [0,2,0,0,0,1|1,0,0]=4 17380 B13R1.20 CSCC(=O)Cc1ccnc(c1)C 1458a_100000184570_200020672517 [0,2,0,0,0,1|1,0,0]=4 17381 B13R1.20 CSCC(=O)Cc1cncc(c1)C 1458a_100000184570_100000716715 [0,2,0,0,0,1|1,0,0]=4 17382 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000184570 [0,2,0,0,0,1|1,0,0]=4 17383 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000184570 [0,2,0,0,0,1|1,0,0]=4 17384 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000184570 [0,2,0,0,0,1|1,0,0]=4 17385 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000184570 [0,2,0,0,0,1|1,0,0]=4 17386 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 62a_100000183509_200000210301 [0,2,0,0,0,1|1,0,0]=4 17387 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 62a_200000210301_100000183509 [0,2,0,0,0,1|1,0,0]=4 17388 B13R1.20 CSCC(=O)Nc1cccc(c1)C 11a_100000188690_100000184570 [0,2,0,0,0,1|0,0,0]=3 17389 B13R1.20 CSCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000184570 [0,2,0,0,0,1|0,0,0]=3 17390 B13R1.20 CSCC(=O)Nc1cccc(c1)C 22a_100000188690_100000184570 [0,2,0,0,0,1|0,0,0]=3 17391 B13R1.20 CSCC(=O)Nc1cccc(c1)C 527a_100000188690_100000184570 [0,2,0,0,0,1|0,0,0]=3 17392 B13R1.20 CSCC(=O)Nc1cccc(c1)C 62a_100000243722_200000210301 [0,2,0,0,0,1|0,0,0]=3 17393 B13R1.20 CSCC(=O)Nc1cccc(c1)C 62a_200000210301_100000182861 [0,2,0,0,0,1|0,0,0]=3 17394 B13R1.20 CSCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000184570 [0,2,0,0,0,1|1,0,0]=4 17395 B13R1.20 CSCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000184570 [0,2,0,0,0,1|1,0,0]=4 17396 B13R1.20 CSCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000184570 [0,2,0,0,0,1|1,0,0]=4 17397 B13R1.20 CSCC(=O)Nc1cccc(c1)Cl 62a_200000210301_100000182995 [0,2,0,0,0,1|1,0,0]=4 17398 B13R1.20 CSCC(=O)Nc1cccc(c1)F 11a_100000210047_100000184570 [0,2,0,0,0,1|1,0,0]=4 17399 B13R1.20 CSCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000184570 [0,2,0,0,0,1|1,0,0]=4 17400 B13R1.20 CSCC(=O)Nc1cccc(c1)F 22a_100000210047_100000184570 [0,2,0,0,0,1|1,0,0]=4 17401 B13R1.20 CSCC(=O)Nc1cccc(c1)F 527a_100000210047_100000184570 [0,2,0,0,0,1|1,0,0]=4 17402 B13R1.20 CSCC(=O)Nc1cccc(c1)F 62a_100000183335_200000210301 [0,2,0,0,0,1|1,0,0]=4 17403 B13R1.20 CSCC(=O)Nc1cccc(c1)F 62a_200000210301_100000183335 [0,2,0,0,0,1|1,0,0]=4 17404 B13R1.20 CSCC(=O)Nc1cccc(c1)I 11a_100000211102_100000184570 [0,2,0,0,0,1|1,0,0]=4 17405 B13R1.20 CSCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000184570 [0,2,0,0,0,1|1,0,0]=4 17406 B13R1.20 CSCC(=O)Nc1cccc(c1)I 22a_100000211102_100000184570 [0,2,0,0,0,1|1,0,0]=4 17407 B13R1.20 CSCC(=O)Nc1cccc(c1)I 527a_100000211102_100000184570 [0,2,0,0,0,1|1,0,0]=4 17408 B13R1.20 CSCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000184570 [0,2,0,0,0,1|1,0,0]=4 17409 B13R1.20 CSCC(=O)Nc1cccc(c1)O 22a_100000210217_100000184570 [0,2,0,0,0,1|1,0,0]=4 17410 B13R1.20 CSCC(=O)Nc1cccc(c1)O 527a_100000210217_100000184570 [0,2,0,0,0,1|1,0,0]=4 17411 B13R1.20 CSCC(=O)Nc1cccc(c1)O 62a_200000210301_100011236192 [0,2,0,0,0,1|1,0,0]=4 17412 B13R1.20 CSCC(=O)Nc1cccc(n1)C 62a_103633700106_200000210301 [0,2,0,0,0,1|1,0,0]=4 17413 B13R1.20 CSCC(=O)Nc1cccc(n1)C 62a_200000210301_103633700106 [0,2,0,0,0,1|1,0,0]=4 17414 B13R1.20 Cc1cc(ccn1)CC(=O)CC#N 1458a_100051588842_200020672517 [0,2,0,0,0,1|1,0,0]=4 17415 B13R1.20 Cc1cc(ccn1)CC(=O)CCO 1458a_100011216618_200020672517 [0,2,0,0,0,1|1,0,0]=4 17416 B13R1.20 Cc1cccc(c1)CC(=O)C=CBr 1458a_100016273825_100000211840 [0,2,0,0,0,1|0,0,1]=4 17417 B13R1.20 Cc1cccc(c1)CC(=O)C=CCl 1458a_200016279998_100000211840 [0,2,0,0,0,1|0,0,1]=4 17418 B13R1.20 Cc1cccc(c1)CC(=O)C=CI 1458a_100016256311_100000211840 [0,2,0,0,0,1|0,0,1]=4 17419 B13R1.20 Cc1cccc(c1)CC(=O)CC#N 1458a_100011206899_100011214920 [0,2,0,0,0,1|0,0,0]=3 17420 B13R1.20 Cc1cccc(c1)CC(=O)CC#N 1458a_100051588842_100000211840 [0,2,0,0,0,1|0,0,0]=3 17421 B13R1.20 Cc1cccc(c1)CC(=O)CCF 1458a_100011206899_100011217306 [0,2,0,0,0,1|0,0,0]=3 17422 B13R1.20 Cc1cccc(c1)CC(=O)CCO 1458a_100011206899_100000211926 [0,2,0,0,0,1|0,0,0]=3 17423 B13R1.20 Cc1cccc(c1)CC(=O)CCO 1458a_100011216618_100000211840 [0,2,0,0,0,1|0,0,0]=3 17424 B13R1.20 Cc1cccc(c1)CN(C)CC=O 2230a_102495364743_200015260668 [0,2,0,0,0,1|1,0,0]=4 17425 B13R1.20 Cc1cccc(c1)CN(C)CC=O 269982a_102495364743_200015260668 [0,2,0,0,0,1|1,0,0]=4 17426 B13R1.20 Cc1cccc(c1)CN(C)CC=O 34a_102495364743_200009817547 [0,2,0,0,0,1|1,0,0]=4 17427 B13R1.20 Cc1cccc(c1)NC(=O)C=CBr 1626a_100000188690_100016273825 [0,2,0,0,0,1|0,0,1]=4 17428 B13R1.20 Cc1cccc(c1)NC(=O)C=CCl 11a_100000188690_200016279998 [0,2,0,0,0,1|0,0,1]=4 17429 B13R1.20 Cc1cccc(c1)NC(=O)C=CCl 1626a_100000188690_200016279998 [0,2,0,0,0,1|0,0,1]=4 17430 B13R1.20 Cc1cccc(c1)NC(=O)C=CI 1626a_100000188690_100016256311 [0,2,0,0,0,1|0,0,1]=4 17431 B13R1.20 Cc1cccc(c1)NC(=O)CC#N 1626a_100000188690_100051588842 [0,2,0,0,0,1|0,0,0]=3 17432 B13R1.20 Cc1cccc(c1)NC(=O)CC#N 22a_100000188690_100051588842 [0,2,0,0,0,1|0,0,0]=3 17433 B13R1.20 Cc1cccc(c1)NC(=O)CCO 22a_100000188690_100011216618 [0,2,0,0,0,1|0,0,0]=3 17434 B13R1.20 Cc1cccc(c1)NC(=O)CO[13CH3] 34a_100000749660_200025704644 [0,2,0,0,0,1|0,0,0]=3 17435 B13R1.20 Cc1cccc(c1)NC(=O)CS[13CH3] 62a_100000243722_200025704644 [0,2,0,0,0,1|0,0,0]=3 17436 B13R1.20 Cc1cccc(c1)NC(=O)CS[13CH3] 62a_200025704644_100000182861 [0,2,0,0,0,1|0,0,0]=3 17437 B13R1.20 Cc1cccc(n1)CC(=O)CC#N 1458a_100012001110_100011214920 [0,2,0,0,0,1|1,0,0]=4 17438 B13R1.20 Cc1cccc(n1)CC(=O)CC#N 1458a_100051588842_100000757606 [0,2,0,0,0,1|1,0,0]=4 17439 B13R1.20 Cc1cccc(n1)CC(=O)CCF 1458a_100012001110_100011217306 [0,2,0,0,0,1|1,0,0]=4 17440 B13R1.20 Cc1cccc(n1)CC(=O)CCO 1458a_100011216618_100000757606 [0,2,0,0,0,1|1,0,0]=4 17441 B13R1.20 Cc1cccc(n1)CC(=O)CCO 1458a_100012001110_100000211926 [0,2,0,0,0,1|1,0,0]=4 17442 B13R1.20 Cc1cccc(n1)NC(=O)CS[13CH3] 62a_103633700106_200025704644 [0,2,0,0,0,1|1,0,0]=4 17443 B13R1.20 Cc1cccc(n1)NC(=O)CS[13CH3] 62a_200025704644_103633700106 [0,2,0,0,0,1|1,0,0]=4 17444 B13R1.20 Cc1ccnc(c1)CC(=O)CC#N 1458a_100051588842_100000718516 [0,2,0,0,0,1|1,0,0]=4 17445 B13R1.20 Cc1ccnc(c1)CC(=O)CCO 1458a_100011216618_100000718516 [0,2,0,0,0,1|1,0,0]=4 17446 B13R1.20 Cc1cncc(c1)CC(=O)CC#N 1458a_100051588842_100000716715 [0,2,0,0,0,1|1,0,0]=4 17447 B13R1.20 Cc1cncc(c1)CC(=O)CCO 1458a_100011216618_100000716715 [0,2,0,0,0,1|1,0,0]=4 17448 B13R1.20 N#CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100011214920 [0,2,0,0,0,1|1,0,0]=4 17449 B13R1.20 N#CCC(=O)Cc1cccc(c1)Br 1458a_100051588842_100000211773 [0,2,0,0,0,1|1,0,0]=4 17450 B13R1.20 N#CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100011214920 [0,2,0,0,0,1|1,0,0]=4 17451 B13R1.20 N#CCC(=O)Cc1cccc(c1)Cl 1458a_100051588842_100000181238 [0,2,0,0,0,1|1,0,0]=4 17452 B13R1.20 N#CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100011214920 [0,2,0,0,0,1|1,0,0]=4 17453 B13R1.20 N#CCC(=O)Cc1cccc(c1)F 1458a_100051588842_100000230114 [0,2,0,0,0,1|1,0,0]=4 17454 B13R1.20 N#CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100011214920 [0,2,0,0,0,1|1,0,0]=4 17455 B13R1.20 N#CCC(=O)Cc1cccc(c1)I 1458a_100051588842_100011218688 [0,2,0,0,0,1|1,0,0]=4 17456 B13R1.20 N#CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100011214920 [0,2,0,0,0,1|1,0,0]=4 17457 B13R1.20 N#CCC(=O)Cc1cccc(c1)O 1458a_100051588842_100011660834 [0,2,0,0,0,1|1,0,0]=4 17458 B13R1.20 N#CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100051588842 [0,2,0,0,0,1|1,0,0]=4 17459 B13R1.20 N#CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100051588842 [0,2,0,0,0,1|1,0,0]=4 17460 B13R1.20 N#CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100051588842 [0,2,0,0,0,1|1,0,0]=4 17461 B13R1.20 N#CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100051588842 [0,2,0,0,0,1|1,0,0]=4 17462 B13R1.20 N#CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100051588842 [0,2,0,0,0,1|1,0,0]=4 17463 B13R1.20 N#CCC(=O)Nc1cccc(c1)F 22a_100000210047_100051588842 [0,2,0,0,0,1|1,0,0]=4 17464 B13R1.20 N#CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100051588842 [0,2,0,0,0,1|1,0,0]=4 17465 B13R1.20 N#CCC(=O)Nc1cccc(c1)I 22a_100000211102_100051588842 [0,2,0,0,0,1|1,0,0]=4 17466 B13R1.20 N#CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100051588842 [0,2,0,0,0,1|1,0,0]=4 17467 B13R1.20 N#CCC(=O)Nc1cccc(c1)O 22a_100000210217_100051588842 [0,2,0,0,0,1|1,0,0]=4 17468 B13R1.20 O=C(CCF)Cc1cccc(c1)Br 1458a_100000747190_100011217306 [0,2,0,0,0,1|1,0,0]=4 17469 B13R1.20 O=C(CCF)Cc1cccc(c1)Cl 1458a_100000749307_100011217306 [0,2,0,0,0,1|1,0,0]=4 17470 B13R1.20 O=C(CCF)Cc1cccc(c1)F 1458a_100000211661_100011217306 [0,2,0,0,0,1|1,0,0]=4 17471 B13R1.20 O=C(CCF)Cc1cccc(c1)I 1458a_100000238430_100011217306 [0,2,0,0,0,1|1,0,0]=4 17472 B13R1.20 O=C(CCF)Cc1cccc(c1)O 1458a_100000745134_100011217306 [0,2,0,0,0,1|1,0,0]=4 17473 B13R1.20 O=C(CCO)Cc1cccc(c1)Br 1458a_100000747190_100000211926 [0,2,0,0,0,1|1,0,0]=4 17474 B13R1.20 O=C(CCO)Cc1cccc(c1)Br 1458a_100011216618_100000211773 [0,2,0,0,0,1|1,0,0]=4 17475 B13R1.20 O=C(CCO)Cc1cccc(c1)Cl 1458a_100000749307_100000211926 [0,2,0,0,0,1|1,0,0]=4 17476 B13R1.20 O=C(CCO)Cc1cccc(c1)Cl 1458a_100011216618_100000181238 [0,2,0,0,0,1|1,0,0]=4 17477 B13R1.20 O=C(CCO)Cc1cccc(c1)F 1458a_100000211661_100000211926 [0,2,0,0,0,1|1,0,0]=4 17478 B13R1.20 O=C(CCO)Cc1cccc(c1)F 1458a_100011216618_100000230114 [0,2,0,0,0,1|1,0,0]=4 17479 B13R1.20 O=C(CCO)Cc1cccc(c1)I 1458a_100000238430_100000211926 [0,2,0,0,0,1|1,0,0]=4 17480 B13R1.20 O=C(CCO)Cc1cccc(c1)I 1458a_100011216618_100011218688 [0,2,0,0,0,1|1,0,0]=4 17481 B13R1.20 O=C(CCO)Cc1cccc(c1)O 1458a_100000745134_100000211926 [0,2,0,0,0,1|1,0,0]=4 17482 B13R1.20 O=C(CCO)Cc1cccc(c1)O 1458a_100011216618_100011660834 [0,2,0,0,0,1|1,0,0]=4 17483 B13R1.20 O=C(CCO)Nc1cccc(c1)Br 22a_100000210019_100011216618 [0,2,0,0,0,1|1,0,0]=4 17484 B13R1.20 O=C(CCO)Nc1cccc(c1)Cl 22a_100000185859_100011216618 [0,2,0,0,0,1|1,0,0]=4 17485 B13R1.20 O=C(CCO)Nc1cccc(c1)F 22a_100000210047_100011216618 [0,2,0,0,0,1|1,0,0]=4 17486 B13R1.20 O=C(CCO)Nc1cccc(c1)I 22a_100000211102_100011216618 [0,2,0,0,0,1|1,0,0]=4 17487 B13R1.20 O=C(CCO)Nc1cccc(c1)O 22a_100000210217_100011216618 [0,2,0,0,0,1|1,0,0]=4 17488 B13R1.20 [13CH3]NCC(=O)Nc1cccc(c1)Cl 2230a_100102560372_200025704644 [0,2,0,0,0,1|1,0,0]=4 17489 B13R1.20 [13CH3]NCC(=O)Nc1cccc(c1)F 2230a_100000168492_200025704644 [0,2,0,0,0,1|1,0,0]=4 17490 B13R1.20 [13CH3]NCC(=O)Nc1cccc(c1)F 34a_100000168492_200025704644 [0,2,0,0,0,1|1,0,0]=4 17491 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)Br 62a_100000183509_200025704644 [0,2,0,0,0,1|1,0,0]=4 17492 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)Br 62a_200025704644_100000183509 [0,2,0,0,0,1|1,0,0]=4 17493 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)Cl 62a_200025704644_100000182995 [0,2,0,0,0,1|1,0,0]=4 17494 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)F 62a_100000183335_200025704644 [0,2,0,0,0,1|1,0,0]=4 17495 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)F 62a_200025704644_100000183335 [0,2,0,0,0,1|1,0,0]=4 17496 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)O 62a_200025704644_100011236192 [0,2,0,0,0,1|1,0,0]=4 17497 B13R1.22 C=CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100000185746 [0,2,0,0,0,1|0,0,1]=4 17498 B13R1.22 C=CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000185746 [0,2,0,0,0,1|0,0,1]=4 17499 B13R1.22 CC(C(=O)CF)c1cccc(c1)Br 1458a_100000722698_100015361967 [0,2,0,0,0,1|1,0,0]=4 17500 B13R1.22 CC(C(=O)CF)c1cccc(c1)Cl 1458a_100000762818_100015361967 [0,2,0,0,0,1|1,0,0]=4 17501 B13R1.22 CC(C(=O)CF)c1cccc(c1)F 1458a_100000762896_100015361967 [0,2,0,0,0,1|1,0,0]=4 17502 B13R1.22 CCC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_100000210202 [0,2,0,0,0,1|1,0,0]=4 17503 B13R1.22 CCC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_100000210202 [0,2,0,0,0,1|1,0,0]=4 17504 B13R1.22 CCC(=O)C(C)c1cccc(c1)F 1458a_100000762896_100000210202 [0,2,0,0,0,1|1,0,0]=4 17505 B13R1.22 CCC(=O)C(O)c1cccc(c1)C 1458a_100011434945_100000210202 [0,2,0,0,0,1|0,0,0]=3 17506 B13R1.22 CCC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_100000210202 [0,2,0,0,0,1|1,0,0]=4 17507 B13R1.22 CCC(=O)C(O)c1cccc(c1)F 1458a_100011434943_100000210202 [0,2,0,0,0,1|1,0,0]=4 17508 B13R1.22 CCC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100000210414 [0,2,0,0,0,1|1,0,0]=4 17509 B13R1.22 CCC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100000210414 [0,2,0,0,0,1|1,0,0]=4 17510 B13R1.22 CCC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000210414 [0,2,0,0,0,1|1,0,0]=4 17511 B13R1.22 CCC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100000210414 [0,2,0,0,0,1|1,0,0]=4 17512 B13R1.22 CCC(=O)N(C)c1cccc(c1)C 11a_100000219674_100000210414 [0,2,0,0,0,1|0,0,0]=3 17513 B13R1.22 CCC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100000210414 [0,2,0,0,0,1|0,0,0]=3 17514 B13R1.22 CCC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000210414 [0,2,0,0,0,1|0,0,0]=3 17515 B13R1.22 CCC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100000210414 [0,2,0,0,0,1|1,0,0]=4 17516 B13R1.22 CCC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100000210414 [0,2,0,0,0,1|1,0,0]=4 17517 B13R1.22 CCC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000210414 [0,2,0,0,0,1|1,0,0]=4 17518 B13R1.22 CCC(=O)N(C)c1cccc(c1)F 11a_100020633736_100000210414 [0,2,0,0,0,1|1,0,0]=4 17519 B13R1.22 CCC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100000210414 [0,2,0,0,0,1|1,0,0]=4 17520 B13R1.22 CCC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000210414 [0,2,0,0,0,1|1,0,0]=4 17521 B13R1.22 CCC(=O)N(C)c1cccc(c1)I 11a_100000221217_100000210414 [0,2,0,0,0,1|1,0,0]=4 17522 B13R1.22 CCC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100000210414 [0,2,0,0,0,1|1,0,0]=4 17523 B13R1.22 CCC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000210414 [0,2,0,0,0,1|1,0,0]=4 17524 B13R1.22 CCC(=O)N(C)c1cccc(c1)O 527a_100000756613_100000210414 [0,2,0,0,0,1|1,0,0]=4 17525 B13R1.22 CCC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_100000210202 [0,2,0,0,0,1|0,0,0]=3 17526 B13R1.22 CN(C(=O)CO)c1cccc(c1)Br 22a_100000219648_100000210174 [0,2,0,0,0,1|1,0,0]=4 17527 B13R1.22 CN(C(=O)CO)c1cccc(c1)Br 527a_100000219648_100000210174 [0,2,0,0,0,1|1,0,0]=4 17528 B13R1.22 CN(C(=O)CO)c1cccc(c1)Cl 22a_100000220044_100000210174 [0,2,0,0,0,1|1,0,0]=4 17529 B13R1.22 CN(C(=O)CO)c1cccc(c1)F 22a_100020633736_100000210174 [0,2,0,0,0,1|1,0,0]=4 17530 B13R1.22 CN(C(=O)CO)c1cccc(c1)I 22a_100000221217_100000210174 [0,2,0,0,0,1|1,0,0]=4 17531 B13R1.22 CN(C(=O)CO)c1cccc(c1)O 527a_100000756613_100000210174 [0,2,0,0,0,1|1,0,0]=4 17532 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 11a_106832991635_100000722698 [0,2,0,0,0,1|1,0,0]=4 17533 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 1626a_100102657272_100000722698 [0,2,0,0,0,1|1,0,0]=4 17534 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 240690a_100102657272_100000722698 [0,2,0,0,0,1|1,0,0]=4 17535 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 527a_100102657272_100000722698 [0,2,0,0,0,1|1,0,0]=4 17536 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 11a_106832991635_100000762818 [0,2,0,0,0,1|1,0,0]=4 17537 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 1626a_100102657272_100000762818 [0,2,0,0,0,1|1,0,0]=4 17538 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 240690a_100102657272_100000762818 [0,2,0,0,0,1|1,0,0]=4 17539 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 527a_100102657272_100000762818 [0,2,0,0,0,1|1,0,0]=4 17540 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 11a_106832991635_100000762896 [0,2,0,0,0,1|1,0,0]=4 17541 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 1626a_100102657272_100000762896 [0,2,0,0,0,1|1,0,0]=4 17542 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 240690a_100102657272_100000762896 [0,2,0,0,0,1|1,0,0]=4 17543 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 527a_100102657272_100000762896 [0,2,0,0,0,1|1,0,0]=4 17544 B13R1.22 CNC(=O)C(O)c1cccc(c1)C 240690a_100102657272_100011434945 [0,2,0,0,0,1|0,0,0]=3 17545 B13R1.22 CNC(=O)C(O)c1cccc(c1)Cl 240690a_100102657272_100011216955 [0,2,0,0,0,1|1,0,0]=4 17546 B13R1.22 CNC(=O)C(O)c1cccc(c1)F 240690a_100102657272_100011434943 [0,2,0,0,0,1|1,0,0]=4 17547 B13R1.22 CNC(=O)N(C)c1cccc(c1)Br 512a_100000219648_100102657272 [0,2,0,0,0,1|1,0,0]=4 17548 B13R1.22 CNC(=O)N(C)c1cccc(c1)Br 512a_106832991638_100000219648 [0,2,0,0,0,1|1,0,0]=4 17549 B13R1.22 CNC(=O)N(C)c1cccc(c1)C 512a_100000219674_100102657272 [0,2,0,0,0,1|0,0,0]=3 17550 B13R1.22 CNC(=O)N(C)c1cccc(c1)C 512a_106832991638_100000219674 [0,2,0,0,0,1|0,0,0]=3 17551 B13R1.22 CNC(=O)N(C)c1cccc(c1)Cl 512a_100000220044_100102657272 [0,2,0,0,0,1|1,0,0]=4 17552 B13R1.22 CNC(=O)N(C)c1cccc(c1)F 512a_100020633736_100102657272 [0,2,0,0,0,1|1,0,0]=4 17553 B13R1.22 CNC(=O)N(C)c1cccc(c1)I 512a_100000221217_100102657272 [0,2,0,0,0,1|1,0,0]=4 17554 B13R1.22 CNC(=O)N(C)c1cccc(c1)I 512a_106832991638_100000221217 [0,2,0,0,0,1|1,0,0]=4 17555 B13R1.22 CNC(=O)N(C)c1cccc(c1)O 512a_100000756613_100102657272 [0,2,0,0,0,1|1,0,0]=4 17556 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 11a_106832991635_200009911544 [0,2,0,0,0,1|0,0,0]=3 17557 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 1626a_100102657272_200009911544 [0,2,0,0,0,1|0,0,0]=3 17558 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 240690a_100102657272_200009911544 [0,2,0,0,0,1|0,0,0]=3 17559 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 527a_100102657272_200009911544 [0,2,0,0,0,1|0,0,0]=3 17560 B13R1.22 COC(=O)C(=O)c1cccc(c1)O 271570a_203496583355_100000699548 [0,2,0,0,0,1|1,0,0]=4 17561 B13R1.22 COC(=O)C(C)c1cccc(c1)O 271570a_203496583355_100010077029 [0,2,0,0,0,1|1,0,0]=4 17562 B13R1.22 COC(=O)C(N)c1cccc(c1)O 271570a_203496583355_100015207118 [0,2,0,0,0,1|1,0,0]=4 17563 B13R1.22 Cc1cccc(c1)C(O)C(=O)CF 1458a_100011434945_100015361967 [0,2,0,0,0,1|0,0,0]=3 17564 B13R1.22 Cc1cccc(c1)N(C)C(=O)CO 22a_100000219674_100000210174 [0,2,0,0,0,1|0,0,0]=3 17565 B13R1.22 Cc1cccc(c1)[C@@H](C)C(=O)CF 1458a_200009911544_100015361967 [0,2,0,0,0,1|0,0,0]=3 17566 B13R1.22 O=C(CF)C(O)c1cccc(c1)Cl 1458a_100011216955_100015361967 [0,2,0,0,0,1|1,0,0]=4 17567 B13R1.22 O=C(CF)C(O)c1cccc(c1)F 1458a_100011434943_100015361967 [0,2,0,0,0,1|1,0,0]=4 17568 B13R1.40 C#CC(=O)Cc1cccc(c1Br)C 1458a_100000211873_200012349612 [0,2,0,0,0,1|0,0,1]=4 17569 B13R1.40 C#CC(=O)Cc1cccc(c1C)C 1458a_100000211873_100011515928 [0,2,0,0,0,1|0,0,1]=4 17570 B13R1.40 C#CC(=O)Cc1cccc(c1F)C 1458a_100000211873_100011216058 [0,2,0,0,0,1|0,0,1]=4 17571 B13R1.40 C=CC(=O)Cc1cccc(c1Br)C 1458a_100000185746_200012349612 [0,2,0,0,0,1|0,0,1]=4 17572 B13R1.40 C=CC(=O)Cc1cccc(c1C)C 1458a_100000185746_100011515928 [0,2,0,0,0,1|0,0,1]=4 17573 B13R1.40 C=CC(=O)Cc1cccc(c1F)C 1458a_100000185746_100011216058 [0,2,0,0,0,1|0,0,1]=4 17574 B13R1.40 C=CC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100000185746 [0,2,0,0,0,1|0,0,1]=4 17575 B13R1.40 C=CC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000185746 [0,2,0,0,0,1|0,0,1]=4 17576 B13R1.40 C=CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100000185746 [0,2,0,0,0,1|0,0,1]=4 17577 B13R1.40 C=CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000185746 [0,2,0,0,0,1|0,0,1]=4 17578 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100000185746 [0,2,0,0,0,1|0,0,1]=4 17579 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000185746 [0,2,0,0,0,1|0,0,1]=4 17580 B13R1.40 C=CC(=O)Nc1cccc(c1F)C 1626a_100000697159_100000185746 [0,2,0,0,0,1|0,0,1]=4 17581 B13R1.40 C=CC(=O)Nc1cccc(c1I)C 1626a_100000761888_100000185746 [0,2,0,0,0,1|0,0,1]=4 17582 B13R1.40 C=CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100000185746 [0,2,0,0,0,1|0,0,1]=4 17583 B13R1.40 C=CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000185746 [0,2,0,0,0,1|0,0,1]=4 17584 B13R1.40 CCC(=O)Cc1cccc(c1Br)C 1458a_100000210414_200012349612 [0,2,0,0,0,1|0,0,0]=3 17585 B13R1.40 CCC(=O)Cc1cccc(c1Br)C 1458a_100010147021_100000210202 [0,2,0,0,0,1|0,0,0]=3 17586 B13R1.40 CCC(=O)Cc1cccc(c1Br)Cl 1458a_100000210414_100010145525 [0,2,0,0,0,1|1,0,0]=4 17587 B13R1.40 CCC(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_100000210202 [0,2,0,0,0,1|1,0,0]=4 17588 B13R1.40 CCC(=O)Cc1cccc(c1Br)F 1458a_100000210414_100012351116 [0,2,0,0,0,1|1,0,0]=4 17589 B13R1.40 CCC(=O)Cc1cccc(c1Br)F 1458a_100012356664_100000210202 [0,2,0,0,0,1|1,0,0]=4 17590 B13R1.40 CCC(=O)Cc1cccc(c1Br)I 1458a_100000210414_100010254545 [0,2,0,0,0,1|1,0,0]=4 17591 B13R1.40 CCC(=O)Cc1cccc(c1C)Br 1458a_100000210414_100000694682 [0,2,0,0,0,1|1,0,0]=4 17592 B13R1.40 CCC(=O)Cc1cccc(c1C)C 1458a_100000210414_100011515928 [0,2,0,0,0,1|0,0,0]=3 17593 B13R1.40 CCC(=O)Cc1cccc(c1C)C 1458a_100011698479_100000210202 [0,2,0,0,0,1|0,0,0]=3 17594 B13R1.40 CCC(=O)Cc1cccc(c1C)Cl 1458a_100000210414_100012186920 [0,2,0,0,0,1|1,0,0]=4 17595 B13R1.40 CCC(=O)Cc1cccc(c1C)F 1458a_100000035905_100000210202 [0,2,0,0,0,1|1,0,0]=4 17596 B13R1.40 CCC(=O)Cc1cccc(c1C)F 1458a_100000210414_100009813626 [0,2,0,0,0,1|1,0,0]=4 17597 B13R1.40 CCC(=O)Cc1cccc(c1C)I 1458a_100000210414_100010150147 [0,2,0,0,0,1|1,0,0]=4 17598 B13R1.40 CCC(=O)Cc1cccc(c1Cl)Br 1458a_100000210414_100012349491 [0,2,0,0,0,1|1,0,0]=4 17599 B13R1.40 CCC(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_100000210202 [0,2,0,0,0,1|1,0,0]=4 17600 B13R1.40 CCC(=O)Cc1cccc(c1Cl)Cl 1458a_100000210414_100000720918 [0,2,0,0,0,1|1,0,0]=4 17601 B13R1.40 CCC(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_100000210202 [0,2,0,0,0,1|1,0,0]=4 17602 B13R1.40 CCC(=O)Cc1cccc(c1Cl)F 1458a_100000210414_100000696688 [0,2,0,0,0,1|1,0,0]=4 17603 B13R1.40 CCC(=O)Cc1cccc(c1Cl)F 1458a_100012001123_100000210202 [0,2,0,0,0,1|1,0,0]=4 17604 B13R1.40 CCC(=O)Cc1cccc(c1F)Br 1458a_100000210414_100012356507 [0,2,0,0,0,1|1,0,0]=4 17605 B13R1.40 CCC(=O)Cc1cccc(c1F)Br 1458a_100011935088_100000210202 [0,2,0,0,0,1|1,0,0]=4 17606 B13R1.40 CCC(=O)Cc1cccc(c1F)C 1458a_100000210414_100011216058 [0,2,0,0,0,1|0,0,0]=3 17607 B13R1.40 CCC(=O)Cc1cccc(c1F)Cl 1458a_100000210414_100000716733 [0,2,0,0,0,1|1,0,0]=4 17608 B13R1.40 CCC(=O)Cc1cccc(c1F)Cl 1458a_100000709823_100000210202 [0,2,0,0,0,1|1,0,0]=4 17609 B13R1.40 CCC(=O)Cc1cccc(c1F)F 1458a_100000210414_100000217499 [0,2,0,0,0,1|1,0,0]=4 17610 B13R1.40 CCC(=O)Cc1cccc(c1F)F 1458a_100000684727_100000210202 [0,2,0,0,0,1|1,0,0]=4 17611 B13R1.40 CCC(=O)Cc1cccc(c1I)F 1458a_100000210414_100010149603 [0,2,0,0,0,1|1,0,0]=4 17612 B13R1.40 CCC(=O)Cn1cccc(c1=O)C 1458a_100000697016_100000210202 [0,2,0,0,0,1|1,0,0]=4 17613 B13R1.40 CCC(=O)Nc1cccc(c1Br)C 11a_100000684715_100000210414 [0,2,0,0,0,1|0,0,0]=3 17614 B13R1.40 CCC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100000210414 [0,2,0,0,0,1|0,0,0]=3 17615 B13R1.40 CCC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000210414 [0,2,0,0,0,1|0,0,0]=3 17616 B13R1.40 CCC(=O)Nc1cccc(c1Br)Cl 11a_100000687072_100000210414 [0,2,0,0,0,1|1,0,0]=4 17617 B13R1.40 CCC(=O)Nc1cccc(c1Br)Cl 1626a_100000687072_100000210414 [0,2,0,0,0,1|1,0,0]=4 17618 B13R1.40 CCC(=O)Nc1cccc(c1Br)F 11a_100011934729_100000210414 [0,2,0,0,0,1|1,0,0]=4 17619 B13R1.40 CCC(=O)Nc1cccc(c1Br)F 1626a_100011934729_100000210414 [0,2,0,0,0,1|1,0,0]=4 17620 B13R1.40 CCC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000210414 [0,2,0,0,0,1|1,0,0]=4 17621 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 11a_100000750434_100000210414 [0,2,0,0,0,1|1,0,0]=4 17622 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100000210414 [0,2,0,0,0,1|1,0,0]=4 17623 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000210414 [0,2,0,0,0,1|1,0,0]=4 17624 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 527a_100000750434_100000210414 [0,2,0,0,0,1|1,0,0]=4 17625 B13R1.40 CCC(=O)Nc1cccc(c1C)C 11a_100000210026_100000210414 [0,2,0,0,0,1|0,0,0]=3 17626 B13R1.40 CCC(=O)Nc1cccc(c1C)C 1626a_100000210026_100000210414 [0,2,0,0,0,1|0,0,0]=3 17627 B13R1.40 CCC(=O)Nc1cccc(c1C)C 22a_100000210026_100000210414 [0,2,0,0,0,1|0,0,0]=3 17628 B13R1.40 CCC(=O)Nc1cccc(c1C)C 527a_100000210026_100000210414 [0,2,0,0,0,1|0,0,0]=3 17629 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 11a_100000210441_100000210414 [0,2,0,0,0,1|1,0,0]=4 17630 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100000210414 [0,2,0,0,0,1|1,0,0]=4 17631 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000210414 [0,2,0,0,0,1|1,0,0]=4 17632 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 527a_100000210441_100000210414 [0,2,0,0,0,1|1,0,0]=4 17633 B13R1.40 CCC(=O)Nc1cccc(c1C)F 11a_100000745574_100000210414 [0,2,0,0,0,1|1,0,0]=4 17634 B13R1.40 CCC(=O)Nc1cccc(c1C)F 1626a_100000745574_100000210414 [0,2,0,0,0,1|1,0,0]=4 17635 B13R1.40 CCC(=O)Nc1cccc(c1C)F 22a_100000745574_100000210414 [0,2,0,0,0,1|1,0,0]=4 17636 B13R1.40 CCC(=O)Nc1cccc(c1C)F 527a_100000745574_100000210414 [0,2,0,0,0,1|1,0,0]=4 17637 B13R1.40 CCC(=O)Nc1cccc(c1C)I 11a_100000761887_100000210414 [0,2,0,0,0,1|1,0,0]=4 17638 B13R1.40 CCC(=O)Nc1cccc(c1C)I 1626a_100000761887_100000210414 [0,2,0,0,0,1|1,0,0]=4 17639 B13R1.40 CCC(=O)Nc1cccc(c1C)I 22a_100000761887_100000210414 [0,2,0,0,0,1|1,0,0]=4 17640 B13R1.40 CCC(=O)Nc1cccc(c1C)I 527a_100000761887_100000210414 [0,2,0,0,0,1|1,0,0]=4 17641 B13R1.40 CCC(=O)Nc1cccc(c1C)O 11a_100011216573_100000210414 [0,2,0,0,0,1|1,0,0]=4 17642 B13R1.40 CCC(=O)Nc1cccc(c1C)O 22a_100011216573_100000210414 [0,2,0,0,0,1|1,0,0]=4 17643 B13R1.40 CCC(=O)Nc1cccc(c1C)O 527a_100011216573_100000210414 [0,2,0,0,0,1|1,0,0]=4 17644 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Br 11a_100000687075_100000210414 [0,2,0,0,0,1|1,0,0]=4 17645 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Br 1626a_100000687075_100000210414 [0,2,0,0,0,1|1,0,0]=4 17646 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Br 527a_100000687075_100000210414 [0,2,0,0,0,1|1,0,0]=4 17647 B13R1.40 CCC(=O)Nc1cccc(c1Cl)C 11a_100000765562_100000210414 [0,2,0,0,0,1|0,0,0]=3 17648 B13R1.40 CCC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100000210414 [0,2,0,0,0,1|0,0,0]=3 17649 B13R1.40 CCC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000210414 [0,2,0,0,0,1|0,0,0]=3 17650 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Cl 11a_100000185733_100000210414 [0,2,0,0,0,1|1,0,0]=4 17651 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Cl 1626a_100000185733_100000210414 [0,2,0,0,0,1|1,0,0]=4 17652 B13R1.40 CCC(=O)Nc1cccc(c1Cl)F 11a_100000692321_100000210414 [0,2,0,0,0,1|1,0,0]=4 17653 B13R1.40 CCC(=O)Nc1cccc(c1Cl)F 1626a_100000692321_100000210414 [0,2,0,0,0,1|1,0,0]=4 17654 B13R1.40 CCC(=O)Nc1cccc(c1Cl)F 22a_100000692321_100000210414 [0,2,0,0,0,1|1,0,0]=4 17655 B13R1.40 CCC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000210414 [0,2,0,0,0,1|1,0,0]=4 17656 B13R1.40 CCC(=O)Nc1cccc(c1F)Br 11a_100011935091_100000210414 [0,2,0,0,0,1|1,0,0]=4 17657 B13R1.40 CCC(=O)Nc1cccc(c1F)Br 1626a_100011935091_100000210414 [0,2,0,0,0,1|1,0,0]=4 17658 B13R1.40 CCC(=O)Nc1cccc(c1F)Br 22a_100011935091_100000210414 [0,2,0,0,0,1|1,0,0]=4 17659 B13R1.40 CCC(=O)Nc1cccc(c1F)Br 527a_100011935091_100000210414 [0,2,0,0,0,1|1,0,0]=4 17660 B13R1.40 CCC(=O)Nc1cccc(c1F)C 11a_100000697159_100000210414 [0,2,0,0,0,1|0,0,0]=3 17661 B13R1.40 CCC(=O)Nc1cccc(c1F)C 1626a_100000697159_100000210414 [0,2,0,0,0,1|0,0,0]=3 17662 B13R1.40 CCC(=O)Nc1cccc(c1F)C 527a_100000697159_100000210414 [0,2,0,0,0,1|0,0,0]=3 17663 B13R1.40 CCC(=O)Nc1cccc(c1F)Cl 11a_100000199060_100000210414 [0,2,0,0,0,1|1,0,0]=4 17664 B13R1.40 CCC(=O)Nc1cccc(c1F)Cl 1626a_100000199060_100000210414 [0,2,0,0,0,1|1,0,0]=4 17665 B13R1.40 CCC(=O)Nc1cccc(c1F)Cl 22a_100000199060_100000210414 [0,2,0,0,0,1|1,0,0]=4 17666 B13R1.40 CCC(=O)Nc1cccc(c1F)F 11a_100000743855_100000210414 [0,2,0,0,0,1|1,0,0]=4 17667 B13R1.40 CCC(=O)Nc1cccc(c1F)F 1626a_100000743855_100000210414 [0,2,0,0,0,1|1,0,0]=4 17668 B13R1.40 CCC(=O)Nc1cccc(c1F)F 22a_100000743855_100000210414 [0,2,0,0,0,1|1,0,0]=4 17669 B13R1.40 CCC(=O)Nc1cccc(c1I)Br 11a_100020590159_100000210414 [0,2,0,0,0,1|1,0,0]=4 17670 B13R1.40 CCC(=O)Nc1cccc(c1I)Br 1626a_100020590159_100000210414 [0,2,0,0,0,1|1,0,0]=4 17671 B13R1.40 CCC(=O)Nc1cccc(c1I)C 11a_100000761888_100000210414 [0,2,0,0,0,1|0,0,0]=3 17672 B13R1.40 CCC(=O)Nc1cccc(c1I)C 1626a_100000761888_100000210414 [0,2,0,0,0,1|0,0,0]=3 17673 B13R1.40 CCC(=O)Nc1cccc(c1I)Cl 11a_100000049713_100000210414 [0,2,0,0,0,1|1,0,0]=4 17674 B13R1.40 CCC(=O)Nc1cccc(c1I)Cl 1626a_100000049713_100000210414 [0,2,0,0,0,1|1,0,0]=4 17675 B13R1.40 CCC(=O)Nc1cccc(c1I)F 11a_100000690935_100000210414 [0,2,0,0,0,1|1,0,0]=4 17676 B13R1.40 CCC(=O)Nc1cccc(c1I)F 1626a_100000690935_100000210414 [0,2,0,0,0,1|1,0,0]=4 17677 B13R1.40 CCC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000210414 [0,2,0,0,0,1|1,0,0]=4 17678 B13R1.40 CCC(=O)Nc1cccc(c1O)Br 527a_100011934915_100000210414 [0,2,0,0,0,1|1,0,0]=4 17679 B13R1.40 CCC(=O)Nc1cccc(c1O)C 11a_100000756359_100000210414 [0,2,0,0,0,1|0,0,0]=3 17680 B13R1.40 CCC(=O)Nc1cccc(c1O)C 1626a_100000756359_100000210414 [0,2,0,0,0,1|0,0,0]=3 17681 B13R1.40 CCC(=O)Nc1cccc(c1O)C 22a_100000756359_100000210414 [0,2,0,0,0,1|0,0,0]=3 17682 B13R1.40 CCC(=O)Nc1cccc(c1O)C 527a_100000756359_100000210414 [0,2,0,0,0,1|0,0,0]=3 17683 B13R1.40 CCC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000210414 [0,2,0,0,0,1|1,0,0]=4 17684 B13R1.40 CCC(=O)Nc1cccc(c1O)Cl 527a_100000754742_100000210414 [0,2,0,0,0,1|1,0,0]=4 17685 B13R1.40 CCC(=O)Nc1cccc(c1O)F 1626a_100011934987_100000210414 [0,2,0,0,0,1|1,0,0]=4 17686 B13R1.40 CCC(=O)Nc1cccc(c1O)F 22a_100011934987_100000210414 [0,2,0,0,0,1|1,0,0]=4 17687 B13R1.40 CCC(=O)Nc1cccc(c1O)F 527a_100011934987_100000210414 [0,2,0,0,0,1|1,0,0]=4 17688 B13R1.40 CCC(=O)Nc1cccc(c1O)I 1626a_100010084371_100000210414 [0,2,0,0,0,1|1,0,0]=4 17689 B13R1.40 CCC(=O)Nc1cccc(c1O)I 22a_100010084371_100000210414 [0,2,0,0,0,1|1,0,0]=4 17690 B13R1.40 CCC(=O)Nc1cccc(c1O)I 527a_100010084371_100000210414 [0,2,0,0,0,1|1,0,0]=4 17691 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 11a_106832991635_100010147021 [0,2,0,0,0,1|0,0,0]=3 17692 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 1626a_100102657272_100010147021 [0,2,0,0,0,1|0,0,0]=3 17693 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 240690a_100102657272_100010147021 [0,2,0,0,0,1|0,0,0]=3 17694 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 527a_100102657272_100010147021 [0,2,0,0,0,1|0,0,0]=3 17695 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 11a_106832991635_100010145769 [0,2,0,0,0,1|1,0,0]=4 17696 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 1626a_100102657272_100010145769 [0,2,0,0,0,1|1,0,0]=4 17697 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 240690a_100102657272_100010145769 [0,2,0,0,0,1|1,0,0]=4 17698 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 527a_100102657272_100010145769 [0,2,0,0,0,1|1,0,0]=4 17699 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 11a_106832991635_100012356664 [0,2,0,0,0,1|1,0,0]=4 17700 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 1626a_100102657272_100012356664 [0,2,0,0,0,1|1,0,0]=4 17701 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 240690a_100102657272_100012356664 [0,2,0,0,0,1|1,0,0]=4 17702 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 527a_100102657272_100012356664 [0,2,0,0,0,1|1,0,0]=4 17703 B13R1.40 CNC(=O)Cc1cccc(c1C)C 11a_106832991635_100011698479 [0,2,0,0,0,1|0,0,0]=3 17704 B13R1.40 CNC(=O)Cc1cccc(c1C)C 1626a_100102657272_100011698479 [0,2,0,0,0,1|0,0,0]=3 17705 B13R1.40 CNC(=O)Cc1cccc(c1C)C 240690a_100102657272_100011698479 [0,2,0,0,0,1|0,0,0]=3 17706 B13R1.40 CNC(=O)Cc1cccc(c1C)C 527a_100102657272_100011698479 [0,2,0,0,0,1|0,0,0]=3 17707 B13R1.40 CNC(=O)Cc1cccc(c1C)F 11a_106832991635_100000035905 [0,2,0,0,0,1|1,0,0]=4 17708 B13R1.40 CNC(=O)Cc1cccc(c1C)F 1626a_100102657272_100000035905 [0,2,0,0,0,1|1,0,0]=4 17709 B13R1.40 CNC(=O)Cc1cccc(c1C)F 240690a_100102657272_100000035905 [0,2,0,0,0,1|1,0,0]=4 17710 B13R1.40 CNC(=O)Cc1cccc(c1C)F 527a_100102657272_100000035905 [0,2,0,0,0,1|1,0,0]=4 17711 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 11a_106832991635_100010145770 [0,2,0,0,0,1|1,0,0]=4 17712 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 1626a_100102657272_100010145770 [0,2,0,0,0,1|1,0,0]=4 17713 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 240690a_100102657272_100010145770 [0,2,0,0,0,1|1,0,0]=4 17714 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 527a_100102657272_100010145770 [0,2,0,0,0,1|1,0,0]=4 17715 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 11a_106832991635_100000759314 [0,2,0,0,0,1|1,0,0]=4 17716 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 1626a_100102657272_100000759314 [0,2,0,0,0,1|1,0,0]=4 17717 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 240690a_100102657272_100000759314 [0,2,0,0,0,1|1,0,0]=4 17718 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 527a_100102657272_100000759314 [0,2,0,0,0,1|1,0,0]=4 17719 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 11a_106832991635_100012001123 [0,2,0,0,0,1|1,0,0]=4 17720 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 1626a_100102657272_100012001123 [0,2,0,0,0,1|1,0,0]=4 17721 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 240690a_100102657272_100012001123 [0,2,0,0,0,1|1,0,0]=4 17722 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 527a_100102657272_100012001123 [0,2,0,0,0,1|1,0,0]=4 17723 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 11a_106832991635_100011935088 [0,2,0,0,0,1|1,0,0]=4 17724 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 1626a_100102657272_100011935088 [0,2,0,0,0,1|1,0,0]=4 17725 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 240690a_100102657272_100011935088 [0,2,0,0,0,1|1,0,0]=4 17726 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 527a_100102657272_100011935088 [0,2,0,0,0,1|1,0,0]=4 17727 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 11a_106832991635_100000709823 [0,2,0,0,0,1|1,0,0]=4 17728 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 1626a_100102657272_100000709823 [0,2,0,0,0,1|1,0,0]=4 17729 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 240690a_100102657272_100000709823 [0,2,0,0,0,1|1,0,0]=4 17730 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 527a_100102657272_100000709823 [0,2,0,0,0,1|1,0,0]=4 17731 B13R1.40 CNC(=O)Cc1cccc(c1F)F 11a_106832991635_100000684727 [0,2,0,0,0,1|1,0,0]=4 17732 B13R1.40 CNC(=O)Cc1cccc(c1F)F 1626a_100102657272_100000684727 [0,2,0,0,0,1|1,0,0]=4 17733 B13R1.40 CNC(=O)Cc1cccc(c1F)F 240690a_100102657272_100000684727 [0,2,0,0,0,1|1,0,0]=4 17734 B13R1.40 CNC(=O)Cc1cccc(c1F)F 527a_100102657272_100000684727 [0,2,0,0,0,1|1,0,0]=4 17735 B13R1.40 CNC(=O)Cn1cccc(c1=O)C 240690a_100102657272_100000697016 [0,2,0,0,0,1|1,0,0]=4 17736 B13R1.40 CNC(=O)Cn1cccc(c1=O)C 527a_100102657272_100000697016 [0,2,0,0,0,1|1,0,0]=4 17737 B13R1.40 CNC(=O)Nc1cccc(c1Br)C 2430a_100000684715_100102657272 [0,2,0,0,0,1|0,0,0]=3 17738 B13R1.40 CNC(=O)Nc1cccc(c1Br)Cl 2430a_100000687072_100102657272 [0,2,0,0,0,1|1,0,0]=4 17739 B13R1.40 CNC(=O)Nc1cccc(c1Br)F 2430a_100011934729_100102657272 [0,2,0,0,0,1|1,0,0]=4 17740 B13R1.40 CNC(=O)Nc1cccc(c1Br)O 2430a_100012183704_100102657272 [0,2,0,0,0,1|1,0,0]=4 17741 B13R1.40 CNC(=O)Nc1cccc(c1C)Br 2430a_100000750434_100102657272 [0,2,0,0,0,1|1,0,0]=4 17742 B13R1.40 CNC(=O)Nc1cccc(c1C)C 2430a_100000210026_100102657272 [0,2,0,0,0,1|0,0,0]=3 17743 B13R1.40 CNC(=O)Nc1cccc(c1C)Cl 2430a_100000210441_100102657272 [0,2,0,0,0,1|1,0,0]=4 17744 B13R1.40 CNC(=O)Nc1cccc(c1C)F 2430a_100000745574_100102657272 [0,2,0,0,0,1|1,0,0]=4 17745 B13R1.40 CNC(=O)Nc1cccc(c1C)I 2430a_100000761887_100102657272 [0,2,0,0,0,1|1,0,0]=4 17746 B13R1.40 CNC(=O)Nc1cccc(c1C)O 2430a_100011216573_100102657272 [0,2,0,0,0,1|1,0,0]=4 17747 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Br 2430a_100000687075_100102657272 [0,2,0,0,0,1|1,0,0]=4 17748 B13R1.40 CNC(=O)Nc1cccc(c1Cl)C 2430a_100000765562_100102657272 [0,2,0,0,0,1|0,0,0]=3 17749 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Cl 2430a_100000185733_100102657272 [0,2,0,0,0,1|1,0,0]=4 17750 B13R1.40 CNC(=O)Nc1cccc(c1Cl)F 2430a_100000692321_100102657272 [0,2,0,0,0,1|1,0,0]=4 17751 B13R1.40 CNC(=O)Nc1cccc(c1Cl)O 2430a_100012002038_100102657272 [0,2,0,0,0,1|1,0,0]=4 17752 B13R1.40 CNC(=O)Nc1cccc(c1F)Br 2430a_100011935091_100102657272 [0,2,0,0,0,1|1,0,0]=4 17753 B13R1.40 CNC(=O)Nc1cccc(c1F)Br 512a_100011935091_100102657272 [0,2,0,0,0,1|1,0,0]=4 17754 B13R1.40 CNC(=O)Nc1cccc(c1F)C 2430a_100000697159_100102657272 [0,2,0,0,0,1|0,0,0]=3 17755 B13R1.40 CNC(=O)Nc1cccc(c1F)C 512a_100000697159_100102657272 [0,2,0,0,0,1|0,0,0]=3 17756 B13R1.40 CNC(=O)Nc1cccc(c1F)Cl 2430a_100000199060_100102657272 [0,2,0,0,0,1|1,0,0]=4 17757 B13R1.40 CNC(=O)Nc1cccc(c1F)F 2430a_100000743855_100102657272 [0,2,0,0,0,1|1,0,0]=4 17758 B13R1.40 CNC(=O)Nc1cccc(c1F)F 512a_100000743855_100102657272 [0,2,0,0,0,1|1,0,0]=4 17759 B13R1.40 CNC(=O)Nc1cccc(c1I)Br 2430a_100020590159_100102657272 [0,2,0,0,0,1|1,0,0]=4 17760 B13R1.40 CNC(=O)Nc1cccc(c1I)Br 512a_100020590159_100102657272 [0,2,0,0,0,1|1,0,0]=4 17761 B13R1.40 CNC(=O)Nc1cccc(c1I)C 2430a_100000761888_100102657272 [0,2,0,0,0,1|0,0,0]=3 17762 B13R1.40 CNC(=O)Nc1cccc(c1I)Cl 2430a_100000049713_100102657272 [0,2,0,0,0,1|1,0,0]=4 17763 B13R1.40 CNC(=O)Nc1cccc(c1I)F 512a_100000690935_100102657272 [0,2,0,0,0,1|1,0,0]=4 17764 B13R1.40 CNC(=O)Nc1cccc(c1O)Br 2430a_100011934915_100102657272 [0,2,0,0,0,1|1,0,0]=4 17765 B13R1.40 CNC(=O)Nc1cccc(c1O)C 2430a_100000756359_100102657272 [0,2,0,0,0,1|0,0,0]=3 17766 B13R1.40 CNC(=O)Nc1cccc(c1O)Cl 2430a_100000754742_100102657272 [0,2,0,0,0,1|1,0,0]=4 17767 B13R1.40 CNC(=O)Nc1cccc(c1O)F 2430a_100011934987_100102657272 [0,2,0,0,0,1|1,0,0]=4 17768 B13R1.40 CNC(=O)Nc1cccc(c1O)I 2430a_100010084371_100102657272 [0,2,0,0,0,1|1,0,0]=4 17769 B13R1.40 COC(=O)Cc1cccc(c1F)O 271570a_203496583355_100010741560 [0,2,0,0,0,1|1,0,0]=4 17770 B13R1.40 COC(=O)Cc1cccc(c1O)C 271570a_203496583355_200010150888 [0,2,0,0,0,1|0,0,0]=3 17771 B13R1.40 COC(=O)Cc1cccc(c1O)O 271570a_203496583355_100010150830 [0,2,0,0,0,1|1,0,0]=4 17772 B13R1.40 Cc1c(cccc1CC(=O)CF)F 1458a_100000035905_100015361967 [0,2,0,0,0,1|1,0,0]=4 17773 B13R1.40 Cc1c(cccc1CC(=O)CO)Br 1458a_100000210174_100000694682 [0,2,0,0,0,1|1,0,0]=4 17774 B13R1.40 Cc1c(cccc1CC(=O)CO)Cl 1458a_100000210174_100012186920 [0,2,0,0,0,1|1,0,0]=4 17775 B13R1.40 Cc1c(cccc1CC(=O)CO)F 1458a_100000210174_100009813626 [0,2,0,0,0,1|1,0,0]=4 17776 B13R1.40 Cc1c(cccc1CC(=O)CO)I 1458a_100000210174_100010150147 [0,2,0,0,0,1|1,0,0]=4 17777 B13R1.40 Cc1c(cccc1NC(=O)CO)Br 22a_100000750434_100000210174 [0,2,0,0,0,1|1,0,0]=4 17778 B13R1.40 Cc1c(cccc1NC(=O)CO)Br 527a_100000750434_100000210174 [0,2,0,0,0,1|1,0,0]=4 17779 B13R1.40 Cc1c(cccc1NC(=O)CO)Cl 22a_100000210441_100000210174 [0,2,0,0,0,1|1,0,0]=4 17780 B13R1.40 Cc1c(cccc1NC(=O)CO)Cl 527a_100000210441_100000210174 [0,2,0,0,0,1|1,0,0]=4 17781 B13R1.40 Cc1c(cccc1NC(=O)CO)F 22a_100000745574_100000210174 [0,2,0,0,0,1|1,0,0]=4 17782 B13R1.40 Cc1c(cccc1NC(=O)CO)F 527a_100000745574_100000210174 [0,2,0,0,0,1|1,0,0]=4 17783 B13R1.40 Cc1c(cccc1NC(=O)CO)I 22a_100000761887_100000210174 [0,2,0,0,0,1|1,0,0]=4 17784 B13R1.40 Cc1c(cccc1NC(=O)CO)I 527a_100000761887_100000210174 [0,2,0,0,0,1|1,0,0]=4 17785 B13R1.40 Cc1c(cccc1NC(=O)CO)O 22a_100011216573_100000210174 [0,2,0,0,0,1|1,0,0]=4 17786 B13R1.40 Cc1c(cccc1NC(=O)CO)O 527a_100011216573_100000210174 [0,2,0,0,0,1|1,0,0]=4 17787 B13R1.40 Cc1cccc(c1Br)CC(=O)CF 1458a_100010147021_100015361967 [0,2,0,0,0,1|0,0,0]=3 17788 B13R1.40 Cc1cccc(c1Br)CC(=O)CO 1458a_100000210174_200012349612 [0,2,0,0,0,1|0,0,0]=3 17789 B13R1.40 Cc1cccc(c1Br)NC(=O)CO 22a_100000684715_100000210174 [0,2,0,0,0,1|0,0,0]=3 17790 B13R1.40 Cc1cccc(c1C)CC(=O)CF 1458a_100011698479_100015361967 [0,2,0,0,0,1|0,0,0]=3 17791 B13R1.40 Cc1cccc(c1C)CC(=O)CO 1458a_100000210174_100011515928 [0,2,0,0,0,1|0,0,0]=3 17792 B13R1.40 Cc1cccc(c1C)NC(=O)CO 22a_100000210026_100000210174 [0,2,0,0,0,1|0,0,0]=3 17793 B13R1.40 Cc1cccc(c1C)NC(=O)CO 527a_100000210026_100000210174 [0,2,0,0,0,1|0,0,0]=3 17794 B13R1.40 Cc1cccc(c1Cl)NC(=O)CO 22a_100000765562_100000210174 [0,2,0,0,0,1|0,0,0]=3 17795 B13R1.40 Cc1cccc(c1F)CC(=O)CO 1458a_100000210174_100011216058 [0,2,0,0,0,1|0,0,0]=3 17796 B13R1.40 Cc1cccc(c1F)NC(=O)CO 527a_100000697159_100000210174 [0,2,0,0,0,1|0,0,0]=3 17797 B13R1.40 Cc1cccc(c1O)NC(=O)CO 22a_100000756359_100000210174 [0,2,0,0,0,1|0,0,0]=3 17798 B13R1.40 Cc1cccc(c1O)NC(=O)CO 527a_100000756359_100000210174 [0,2,0,0,0,1|0,0,0]=3 17799 B13R1.40 Cc1cccn(c1=O)CC(=O)CF 1458a_100000697016_100015361967 [0,2,0,0,0,1|1,0,0]=4 17800 B13R1.40 O=C(CF)Cc1cccc(c1Br)Cl 1458a_100010145769_100015361967 [0,2,0,0,0,1|1,0,0]=4 17801 B13R1.40 O=C(CF)Cc1cccc(c1Br)F 1458a_100012356664_100015361967 [0,2,0,0,0,1|1,0,0]=4 17802 B13R1.40 O=C(CF)Cc1cccc(c1Cl)Br 1458a_100010145770_100015361967 [0,2,0,0,0,1|1,0,0]=4 17803 B13R1.40 O=C(CF)Cc1cccc(c1Cl)Cl 1458a_100000759314_100015361967 [0,2,0,0,0,1|1,0,0]=4 17804 B13R1.40 O=C(CF)Cc1cccc(c1Cl)F 1458a_100012001123_100015361967 [0,2,0,0,0,1|1,0,0]=4 17805 B13R1.40 O=C(CF)Cc1cccc(c1F)Br 1458a_100011935088_100015361967 [0,2,0,0,0,1|1,0,0]=4 17806 B13R1.40 O=C(CF)Cc1cccc(c1F)Cl 1458a_100000709823_100015361967 [0,2,0,0,0,1|1,0,0]=4 17807 B13R1.40 O=C(CF)Cc1cccc(c1F)F 1458a_100000684727_100015361967 [0,2,0,0,0,1|1,0,0]=4 17808 B13R1.40 O=C(CO)Cc1cccc(c1Br)Cl 1458a_100000210174_100010145525 [0,2,0,0,0,1|1,0,0]=4 17809 B13R1.40 O=C(CO)Cc1cccc(c1Br)F 1458a_100000210174_100012351116 [0,2,0,0,0,1|1,0,0]=4 17810 B13R1.40 O=C(CO)Cc1cccc(c1Br)I 1458a_100000210174_100010254545 [0,2,0,0,0,1|1,0,0]=4 17811 B13R1.40 O=C(CO)Cc1cccc(c1Cl)Br 1458a_100000210174_100012349491 [0,2,0,0,0,1|1,0,0]=4 17812 B13R1.40 O=C(CO)Cc1cccc(c1Cl)Cl 1458a_100000210174_100000720918 [0,2,0,0,0,1|1,0,0]=4 17813 B13R1.40 O=C(CO)Cc1cccc(c1Cl)F 1458a_100000210174_100000696688 [0,2,0,0,0,1|1,0,0]=4 17814 B13R1.40 O=C(CO)Cc1cccc(c1F)Br 1458a_100000210174_100012356507 [0,2,0,0,0,1|1,0,0]=4 17815 B13R1.40 O=C(CO)Cc1cccc(c1F)Cl 1458a_100000210174_100000716733 [0,2,0,0,0,1|1,0,0]=4 17816 B13R1.40 O=C(CO)Cc1cccc(c1F)F 1458a_100000210174_100000217499 [0,2,0,0,0,1|1,0,0]=4 17817 B13R1.40 O=C(CO)Cc1cccc(c1I)F 1458a_100000210174_100010149603 [0,2,0,0,0,1|1,0,0]=4 17818 B13R1.40 O=C(CO)Nc1cccc(c1Br)O 22a_100012183704_100000210174 [0,2,0,0,0,1|1,0,0]=4 17819 B13R1.40 O=C(CO)Nc1cccc(c1Cl)Br 527a_100000687075_100000210174 [0,2,0,0,0,1|1,0,0]=4 17820 B13R1.40 O=C(CO)Nc1cccc(c1Cl)F 22a_100000692321_100000210174 [0,2,0,0,0,1|1,0,0]=4 17821 B13R1.40 O=C(CO)Nc1cccc(c1Cl)O 22a_100012002038_100000210174 [0,2,0,0,0,1|1,0,0]=4 17822 B13R1.40 O=C(CO)Nc1cccc(c1F)Br 22a_100011935091_100000210174 [0,2,0,0,0,1|1,0,0]=4 17823 B13R1.40 O=C(CO)Nc1cccc(c1F)Br 527a_100011935091_100000210174 [0,2,0,0,0,1|1,0,0]=4 17824 B13R1.40 O=C(CO)Nc1cccc(c1F)Cl 22a_100000199060_100000210174 [0,2,0,0,0,1|1,0,0]=4 17825 B13R1.40 O=C(CO)Nc1cccc(c1F)F 22a_100000743855_100000210174 [0,2,0,0,0,1|1,0,0]=4 17826 B13R1.40 O=C(CO)Nc1cccc(c1O)Br 22a_100011934915_100000210174 [0,2,0,0,0,1|1,0,0]=4 17827 B13R1.40 O=C(CO)Nc1cccc(c1O)Br 527a_100011934915_100000210174 [0,2,0,0,0,1|1,0,0]=4 17828 B13R1.40 O=C(CO)Nc1cccc(c1O)Cl 22a_100000754742_100000210174 [0,2,0,0,0,1|1,0,0]=4 17829 B13R1.40 O=C(CO)Nc1cccc(c1O)Cl 527a_100000754742_100000210174 [0,2,0,0,0,1|1,0,0]=4 17830 B13R1.40 O=C(CO)Nc1cccc(c1O)F 22a_100011934987_100000210174 [0,2,0,0,0,1|1,0,0]=4 17831 B13R1.40 O=C(CO)Nc1cccc(c1O)F 527a_100011934987_100000210174 [0,2,0,0,0,1|1,0,0]=4 17832 B13R1.40 O=C(CO)Nc1cccc(c1O)I 22a_100010084371_100000210174 [0,2,0,0,0,1|1,0,0]=4 17833 B13R1.40 O=C(CO)Nc1cccc(c1O)I 527a_100010084371_100000210174 [0,2,0,0,0,1|1,0,0]=4 17834 B13R1.81 C#CC(=O)Cc1cccc(c1)CO 1458a_100000211873_100010188025 [0,2,0,0,0,1|0,0,1]=4 17835 B13R1.81 C#CC(=O)Cc1cccc(c1)OC 1458a_100000211873_100000211672 [0,2,0,0,0,1|0,0,1]=4 17836 B13R1.81 C#Cc1cccc(c1)NC(=O)CC 11a_100000735509_100000210414 [0,2,0,0,0,1|0,0,1]=4 17837 B13R1.81 C#Cc1cccc(c1)NC(=O)CC 1626a_100000735509_100000210414 [0,2,0,0,0,1|0,0,1]=4 17838 B13R1.81 C#Cc1cccc(c1)NC(=O)CC 22a_100000735509_100000210414 [0,2,0,0,0,1|0,0,1]=4 17839 B13R1.81 C#Cc1cccc(c1)NC(=O)CC 527a_100000735509_100000210414 [0,2,0,0,0,1|0,0,1]=4 17840 B13R1.81 C#Cc1cccc(c1)NC(=O)CO 22a_100000735509_100000210174 [0,2,0,0,0,1|0,0,1]=4 17841 B13R1.81 C#Cc1cccc(c1)NC(=O)CO 527a_100000735509_100000210174 [0,2,0,0,0,1|0,0,1]=4 17842 B13R1.81 C#Cc1cccc(c1)NC(=O)NC 2430a_100000735509_100102657272 [0,2,0,0,0,1|0,0,1]=4 17843 B13R1.81 C#Cc1cccc(c1)NC(=O)NC 512a_100000735509_100102657272 [0,2,0,0,0,1|0,0,1]=4 17844 B13R1.81 C=CC(=O)Cc1cccc(c1)CO 1458a_100000185746_100010188025 [0,2,0,0,0,1|0,0,1]=4 17845 B13R1.81 C=CC(=O)Cc1cccc(c1)OC 1458a_100000185746_100000211672 [0,2,0,0,0,1|0,0,1]=4 17846 B13R1.81 C=CC(=O)Nc1cccc(c1)CC 1626a_100000211250_100000185746 [0,2,0,0,0,1|0,0,1]=4 17847 B13R1.81 C=CC(=O)Nc1cccc(c1)CC 22a_100000211250_100000185746 [0,2,0,0,0,1|0,0,1]=4 17848 B13R1.81 C=CC(=O)Nc1cccc(c1)CF 1626a_100000126320_100000185746 [0,2,0,0,0,1|0,0,1]=4 17849 B13R1.81 C=CC(=O)Nc1cccc(c1)CF 22a_100000126320_100000185746 [0,2,0,0,0,1|0,0,1]=4 17850 B13R1.81 C=CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000185746 [0,2,0,0,0,1|0,0,1]=4 17851 B13R1.81 C=CC(=O)Nc1cccc(c1)NC 34a_100012282147_200000210301 [0,2,0,0,0,1|0,0,1]=4 17852 B13R1.81 C=CC(=O)Nc1cccc(c1)N[13CH3] 34a_100012282147_200025704644 [0,2,0,0,0,1|0,0,1]=4 17853 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 1626a_100000210024_100000185746 [0,2,0,0,0,1|0,0,1]=4 17854 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 22a_100000210024_100000185746 [0,2,0,0,0,1|0,0,1]=4 17855 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 34a_100011235909_200000210301 [0,2,0,0,0,1|0,0,1]=4 17856 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 7a_100011235909_200000210301 [0,2,0,0,0,1|0,0,1]=4 17857 B13R1.81 C=CC(=O)Nc1cccc(c1)O[13CH3] 34a_100011235909_200025704644 [0,2,0,0,0,1|0,0,1]=4 17858 B13R1.81 C=CC(=O)Nc1cccc(c1)O[13CH3] 7a_100011235909_200025704644 [0,2,0,0,0,1|0,0,1]=4 17859 B13R1.81 C=CC(=O)Nc1cccc(c1)SC 1626a_100000210049_100000185746 [0,2,0,0,0,1|0,0,1]=4 17860 B13R1.81 C=CC(=O)Nc1cccc(c1)SC 22a_100000210049_100000185746 [0,2,0,0,0,1|0,0,1]=4 17861 B13R1.81 C=Cc1cccc(c1)CC(=O)OC 271570a_100011290941_100000699549 [0,2,0,0,0,1|0,0,1]=4 17862 B13R1.81 C=Cc1cccc(c1)NC(=O)CC 11a_100011827668_100000210414 [0,2,0,0,0,1|0,0,1]=4 17863 B13R1.81 C=Cc1cccc(c1)NC(=O)CC 1626a_100011827668_100000210414 [0,2,0,0,0,1|0,0,1]=4 17864 B13R1.81 C=Cc1cccc(c1)NC(=O)CC 22a_100011827668_100000210414 [0,2,0,0,0,1|0,0,1]=4 17865 B13R1.81 C=Cc1cccc(c1)NC(=O)CC 527a_100011827668_100000210414 [0,2,0,0,0,1|0,0,1]=4 17866 B13R1.81 C=Cc1cccc(c1)NC(=O)CO 22a_100011827668_100000210174 [0,2,0,0,0,1|0,0,1]=4 17867 B13R1.81 C=Cc1cccc(c1)NC(=O)CO 527a_100011827668_100000210174 [0,2,0,0,0,1|0,0,1]=4 17868 B13R1.81 C=Cc1cccc(c1)NC(=O)NC 2430a_100011827668_100102657272 [0,2,0,0,0,1|0,0,1]=4 17869 B13R1.81 CCC(=O)Cc1cc(ccn1)OC 1458a_100000210414_100000752681 [0,2,0,0,0,1|1,0,0]=4 17870 B13R1.81 CCC(=O)Cc1cccc(c1)C#N 1458a_100000210414_100000233786 [0,2,0,0,0,1|0,0,1]=4 17871 B13R1.81 CCC(=O)Cc1cccc(c1)C#N 1458a_100000684415_100000210202 [0,2,0,0,0,1|0,0,1]=4 17872 B13R1.81 CCC(=O)Cc1cccc(c1)C=O 1458a_100000210414_100009816774 [0,2,0,0,0,1|0,0,1]=4 17873 B13R1.81 CCC(=O)Cc1cccc(c1)CO 1458a_100000210414_100010188025 [0,2,0,0,0,1|0,0,0]=3 17874 B13R1.81 CCC(=O)Cc1cccc(c1)OC 1458a_100000210414_100000211672 [0,2,0,0,0,1|0,0,0]=3 17875 B13R1.81 CCC(=O)Cc1cccc(c1)OC 1458a_100000211281_100000210202 [0,2,0,0,0,1|0,0,0]=3 17876 B13R1.81 CCC(=O)Cc1cccc(c1)SC 1458a_100000035702_100000210202 [0,2,0,0,0,1|0,0,0]=3 17877 B13R1.81 CCC(=O)Cc1cccc(n1)CO 1458a_100000210414_100009813551 [0,2,0,0,0,1|1,0,0]=4 17878 B13R1.81 CCC(=O)Cc1cccc(n1)OC 1458a_100000210414_100000755263 [0,2,0,0,0,1|1,0,0]=4 17879 B13R1.81 CCC(=O)Cc1ccnc(c1)OC 1458a_100000210414_100103152439 [0,2,0,0,0,1|1,0,0]=4 17880 B13R1.81 CCC(=O)Cc1ccnc(c1)OC 1458a_100000718155_100000210202 [0,2,0,0,0,1|1,0,0]=4 17881 B13R1.81 CCC(=O)Nc1cccc(c1)C#N 11a_100000210922_100000210414 [0,2,0,0,0,1|0,0,1]=4 17882 B13R1.81 CCC(=O)Nc1cccc(c1)C#N 1626a_100000210922_100000210414 [0,2,0,0,0,1|0,0,1]=4 17883 B13R1.81 CCC(=O)Nc1cccc(c1)C#N 22a_100000210922_100000210414 [0,2,0,0,0,1|0,0,1]=4 17884 B13R1.81 CCC(=O)Nc1cccc(c1)C#N 527a_100000210922_100000210414 [0,2,0,0,0,1|0,0,1]=4 17885 B13R1.81 CCC(=O)Nc1cccc(c1)CC 11a_100000211250_100000210414 [0,2,0,0,0,1|0,0,0]=3 17886 B13R1.81 CCC(=O)Nc1cccc(c1)CC 1626a_100000211250_100000210414 [0,2,0,0,0,1|0,0,0]=3 17887 B13R1.81 CCC(=O)Nc1cccc(c1)CC 22a_100000211250_100000210414 [0,2,0,0,0,1|0,0,0]=3 17888 B13R1.81 CCC(=O)Nc1cccc(c1)CC 527a_100000211250_100000210414 [0,2,0,0,0,1|0,0,0]=3 17889 B13R1.81 CCC(=O)Nc1cccc(c1)CF 11a_100000126320_100000210414 [0,2,0,0,0,1|0,0,0]=3 17890 B13R1.81 CCC(=O)Nc1cccc(c1)CF 1626a_100000126320_100000210414 [0,2,0,0,0,1|0,0,0]=3 17891 B13R1.81 CCC(=O)Nc1cccc(c1)CF 22a_100000126320_100000210414 [0,2,0,0,0,1|0,0,0]=3 17892 B13R1.81 CCC(=O)Nc1cccc(c1)CF 527a_100000126320_100000210414 [0,2,0,0,0,1|0,0,0]=3 17893 B13R1.81 CCC(=O)Nc1cccc(c1)CO 22a_100000211919_100000210414 [0,2,0,0,0,1|0,0,0]=3 17894 B13R1.81 CCC(=O)Nc1cccc(c1)NC 34a_100000186510_200000210301 [0,2,0,0,0,1|0,0,0]=3 17895 B13R1.81 CCC(=O)Nc1cccc(c1)N[13CH3] 34a_100000186510_200025704644 [0,2,0,0,0,1|0,0,0]=3 17896 B13R1.81 CCC(=O)Nc1cccc(c1)OC 11a_100000210024_100000210414 [0,2,0,0,0,1|0,0,0]=3 17897 B13R1.81 CCC(=O)Nc1cccc(c1)OC 1626a_100000210024_100000210414 [0,2,0,0,0,1|0,0,0]=3 17898 B13R1.81 CCC(=O)Nc1cccc(c1)OC 22a_100000210024_100000210414 [0,2,0,0,0,1|0,0,0]=3 17899 B13R1.81 CCC(=O)Nc1cccc(c1)OC 34a_100000158609_200000210301 [0,2,0,0,0,1|0,0,0]=3 17900 B13R1.81 CCC(=O)Nc1cccc(c1)OC 527a_100000210024_100000210414 [0,2,0,0,0,1|0,0,0]=3 17901 B13R1.81 CCC(=O)Nc1cccc(c1)OC 7a_100000158609_200000210301 [0,2,0,0,0,1|0,0,0]=3 17902 B13R1.81 CCC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158609_200025704644 [0,2,0,0,0,1|0,0,0]=3 17903 B13R1.81 CCC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158609_200025704644 [0,2,0,0,0,1|0,0,0]=3 17904 B13R1.81 CCC(=O)Nc1cccc(c1)SC 11a_100000210049_100000210414 [0,2,0,0,0,1|0,0,0]=3 17905 B13R1.81 CCC(=O)Nc1cccc(c1)SC 1626a_100000210049_100000210414 [0,2,0,0,0,1|0,0,0]=3 17906 B13R1.81 CCC(=O)Nc1cccc(c1)SC 22a_100000210049_100000210414 [0,2,0,0,0,1|0,0,0]=3 17907 B13R1.81 CCC(=O)Nc1cccc(c1)SC 527a_100000210049_100000210414 [0,2,0,0,0,1|0,0,0]=3 17908 B13R1.81 CCc1cccc(c1)NC(=O)CO 22a_100000211250_100000210174 [0,2,0,0,0,1|0,0,0]=3 17909 B13R1.81 CCc1cccc(c1)NC(=O)CO 527a_100000211250_100000210174 [0,2,0,0,0,1|0,0,0]=3 17910 B13R1.81 CCc1cccc(c1)NC(=O)NC 2430a_100000211250_100102657272 [0,2,0,0,0,1|0,0,0]=3 17911 B13R1.81 CCc1cccc(c1)NC(=O)NC 512a_100000211250_100102657272 [0,2,0,0,0,1|0,0,0]=3 17912 B13R1.81 CNC(=O)Cc1cccc(c1)C#N 11a_106832991635_100000684415 [0,2,0,0,0,1|0,0,1]=4 17913 B13R1.81 CNC(=O)Cc1cccc(c1)C#N 1626a_100102657272_100000684415 [0,2,0,0,0,1|0,0,1]=4 17914 B13R1.81 CNC(=O)Cc1cccc(c1)C#N 240690a_100102657272_100000684415 [0,2,0,0,0,1|0,0,1]=4 17915 B13R1.81 CNC(=O)Cc1cccc(c1)C#N 527a_100102657272_100000684415 [0,2,0,0,0,1|0,0,1]=4 17916 B13R1.81 CNC(=O)Cc1cccc(c1)NC 2230a_100011690097_200000210301 [0,2,0,0,0,1|0,0,0]=3 17917 B13R1.81 CNC(=O)Cc1cccc(c1)NC 34a_100011690097_200000210301 [0,2,0,0,0,1|0,0,0]=3 17918 B13R1.81 CNC(=O)Cc1cccc(c1)N[13CH3] 2230a_100011690097_200025704644 [0,2,0,0,0,1|0,0,0]=3 17919 B13R1.81 CNC(=O)Cc1cccc(c1)N[13CH3] 34a_100011690097_200025704644 [0,2,0,0,0,1|0,0,0]=3 17920 B13R1.81 CNC(=O)Cc1cccc(c1)OC 11a_106832991635_100000211281 [0,2,0,0,0,1|0,0,0]=3 17921 B13R1.81 CNC(=O)Cc1cccc(c1)OC 1626a_100102657272_100000211281 [0,2,0,0,0,1|0,0,0]=3 17922 B13R1.81 CNC(=O)Cc1cccc(c1)OC 240690a_100102657272_100000211281 [0,2,0,0,0,1|0,0,0]=3 17923 B13R1.81 CNC(=O)Cc1cccc(c1)OC 527a_100102657272_100000211281 [0,2,0,0,0,1|0,0,0]=3 17924 B13R1.81 CNC(=O)Cc1cccc(c1)SC 11a_106832991635_100000035702 [0,2,0,0,0,1|0,0,0]=3 17925 B13R1.81 CNC(=O)Cc1cccc(c1)SC 1626a_100102657272_100000035702 [0,2,0,0,0,1|0,0,0]=3 17926 B13R1.81 CNC(=O)Cc1cccc(c1)SC 240690a_100102657272_100000035702 [0,2,0,0,0,1|0,0,0]=3 17927 B13R1.81 CNC(=O)Cc1cccc(c1)SC 527a_100102657272_100000035702 [0,2,0,0,0,1|0,0,0]=3 17928 B13R1.81 CNC(=O)Cc1ccnc(c1)OC 11a_106832991635_100000718155 [0,2,0,0,0,1|1,0,0]=4 17929 B13R1.81 CNC(=O)Cc1ccnc(c1)OC 240690a_100102657272_100000718155 [0,2,0,0,0,1|1,0,0]=4 17930 B13R1.81 CNC(=O)Nc1cccc(c1)C#N 2430a_100000210922_100102657272 [0,2,0,0,0,1|0,0,1]=4 17931 B13R1.81 CNC(=O)Nc1cccc(c1)C#N 512a_100000210922_100102657272 [0,2,0,0,0,1|0,0,1]=4 17932 B13R1.81 CNC(=O)Nc1cccc(c1)CF 2430a_100000126320_100102657272 [0,2,0,0,0,1|0,0,0]=3 17933 B13R1.81 CNC(=O)Nc1cccc(c1)CF 512a_100000126320_100102657272 [0,2,0,0,0,1|0,0,0]=3 17934 B13R1.81 CNC(=O)Nc1cccc(c1)CO 2430a_100000211919_100102657272 [0,2,0,0,0,1|0,0,0]=3 17935 B13R1.81 CNC(=O)Nc1cccc(c1)OC 2430a_100000210024_100102657272 [0,2,0,0,0,1|0,0,0]=3 17936 B13R1.81 CNC(=O)Nc1cccc(c1)OC 512a_100000210024_100102657272 [0,2,0,0,0,1|0,0,0]=3 17937 B13R1.81 CNC(=O)Nc1cccc(c1)SC 2430a_100000210049_100102657272 [0,2,0,0,0,1|0,0,0]=3 17938 B13R1.81 CNC(=O)Nc1cccc(c1)SC 512a_100000210049_100102657272 [0,2,0,0,0,1|0,0,0]=3 17939 B13R1.81 COC(=O)Cc1cc(ccn1)SC 62a_100010275543_200000210301 [0,2,0,0,0,1|1,0,0]=4 17940 B13R1.81 COC(=O)Cc1cc(ccn1)SC 62a_200000210301_100010275543 [0,2,0,0,0,1|1,0,0]=4 17941 B13R1.81 COC(=O)Cc1cc(ccn1)S[13CH3] 62a_100010275543_200025704644 [0,2,0,0,0,1|1,0,0]=4 17942 B13R1.81 COC(=O)Cc1cc(ccn1)S[13CH3] 62a_200025704644_100010275543 [0,2,0,0,0,1|1,0,0]=4 17943 B13R1.81 COC(=O)Cc1cccc(c1)SC 62a_100000699549_200000210301 [0,2,0,0,0,1|0,0,0]=3 17944 B13R1.81 COC(=O)Cc1cccc(c1)SC 62a_200000210301_100000699549 [0,2,0,0,0,1|0,0,0]=3 17945 B13R1.81 COC(=O)Cc1cccc(c1)S[13CH3] 62a_100000699549_200025704644 [0,2,0,0,0,1|0,0,0]=3 17946 B13R1.81 COC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000699549 [0,2,0,0,0,1|0,0,0]=3 17947 B13R1.81 COC(=O)Cc1cccc(n1)SC 62a_100000094215_200000210301 [0,2,0,0,0,1|1,0,0]=4 17948 B13R1.81 COC(=O)Cc1cccc(n1)SC 62a_200000210301_100000094215 [0,2,0,0,0,1|1,0,0]=4 17949 B13R1.81 COC(=O)Cc1cccc(n1)S[13CH3] 62a_100000094215_200025704644 [0,2,0,0,0,1|1,0,0]=4 17950 B13R1.81 COC(=O)Cc1cccc(n1)S[13CH3] 62a_200025704644_100000094215 [0,2,0,0,0,1|1,0,0]=4 17951 B13R1.81 COC(=O)Cc1ccnc(c1)SC 62a_100010135589_200000210301 [0,2,0,0,0,1|1,0,0]=4 17952 B13R1.81 COC(=O)Cc1ccnc(c1)SC 62a_200000210301_100010135589 [0,2,0,0,0,1|1,0,0]=4 17953 B13R1.81 COC(=O)Cc1ccnc(c1)S[13CH3] 62a_100010135589_200025704644 [0,2,0,0,0,1|1,0,0]=4 17954 B13R1.81 COC(=O)Cc1ccnc(c1)S[13CH3] 62a_200025704644_100010135589 [0,2,0,0,0,1|1,0,0]=4 17955 B13R1.81 COC(=O)Nc1cccc(c1)OC 34a_100000741004_200000210301 [0,2,0,0,0,1|0,0,0]=3 17956 B13R1.81 COC(=O)Nc1cccc(c1)OC 7a_100000741004_200000210301 [0,2,0,0,0,1|0,0,0]=3 17957 B13R1.81 COC(=O)Nc1cccc(c1)O[13CH3] 34a_100000741004_200025704644 [0,2,0,0,0,1|0,0,0]=3 17958 B13R1.81 COC(=O)Nc1cccc(c1)O[13CH3] 7a_100000741004_200025704644 [0,2,0,0,0,1|0,0,0]=3 17959 B13R1.81 COc1cc(ccn1)CC(=O)CF 1458a_100000718155_100015361967 [0,2,0,0,0,1|1,0,0]=4 17960 B13R1.81 COc1cc(ccn1)CC(=O)CO 1458a_100000210174_100103152439 [0,2,0,0,0,1|1,0,0]=4 17961 B13R1.81 COc1cccc(c1)CC(=O)CF 1458a_100000211281_100015361967 [0,2,0,0,0,1|0,0,0]=3 17962 B13R1.81 COc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211672 [0,2,0,0,0,1|0,0,0]=3 17963 B13R1.81 COc1cccc(c1)CC(=O)NN 34a_100011472680_200000210301 [0,2,0,0,0,1|1,0,0]=4 17964 B13R1.81 COc1cccc(c1)NC(=O)CCl 34a_100011236192_200000210301 [0,2,0,0,0,1|0,0,0]=3 17965 B13R1.81 COc1cccc(c1)NC(=O)CCl 7a_100011236192_200000210301 [0,2,0,0,0,1|0,0,0]=3 17966 B13R1.81 COc1cccc(c1)NC(=O)CO 22a_100000210024_100000210174 [0,2,0,0,0,1|0,0,0]=3 17967 B13R1.81 COc1cccc(c1)NC(=O)CO 527a_100000210024_100000210174 [0,2,0,0,0,1|0,0,0]=3 17968 B13R1.81 COc1cccc(n1)CC(=O)CO 1458a_100000210174_100000755263 [0,2,0,0,0,1|1,0,0]=4 17969 B13R1.81 COc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000752681 [0,2,0,0,0,1|1,0,0]=4 17970 B13R1.81 CSc1cccc(c1)CC(=O)CF 1458a_100000035702_100015361967 [0,2,0,0,0,1|0,0,0]=3 17971 B13R1.81 CSc1cccc(c1)NC(=O)CO 22a_100000210049_100000210174 [0,2,0,0,0,1|0,0,0]=3 17972 B13R1.81 CSc1cccc(c1)NC(=O)CO 527a_100000210049_100000210174 [0,2,0,0,0,1|0,0,0]=3 17973 B13R1.81 N#Cc1cccc(c1)CC(=O)CF 1458a_100000684415_100015361967 [0,2,0,0,0,1|0,0,1]=4 17974 B13R1.81 N#Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000233786 [0,2,0,0,0,1|0,0,1]=4 17975 B13R1.81 N#Cc1cccc(c1)NC(=O)CO 22a_100000210922_100000210174 [0,2,0,0,0,1|0,0,1]=4 17976 B13R1.81 N#Cc1cccc(c1)NC(=O)CO 527a_100000210922_100000210174 [0,2,0,0,0,1|0,0,1]=4 17977 B13R1.81 O=C(CO)Cc1cccc(c1)CO 1458a_100000210174_100010188025 [0,2,0,0,0,1|0,0,0]=3 17978 B13R1.81 O=C(CO)Cc1cccc(n1)CO 1458a_100000210174_100009813551 [0,2,0,0,0,1|1,0,0]=4 17979 B13R1.81 O=C(CO)Nc1cccc(c1)CF 22a_100000126320_100000210174 [0,2,0,0,0,1|0,0,0]=3 17980 B13R1.81 O=C(CO)Nc1cccc(c1)CF 527a_100000126320_100000210174 [0,2,0,0,0,1|0,0,0]=3 17981 B13R1.81 O=C(CO)Nc1cccc(c1)CO 22a_100000211919_100000210174 [0,2,0,0,0,1|0,0,0]=3 17982 B13R1.81 O=Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100009816774 [0,2,0,0,0,1|0,0,1]=4 17983 B13R1.81 [13CH3]Oc1cccc(c1)CC(=O)NN 34a_100011472680_200025704644 [0,2,0,0,0,1|1,0,0]=4 17984 B13R1.81 [13CH3]Oc1cccc(c1)NC(=O)CCl 34a_100011236192_200025704644 [0,2,0,0,0,1|0,0,0]=3 17985 B13R1.81 [13CH3]Oc1cccc(c1)NC(=O)CCl 7a_100011236192_200025704644 [0,2,0,0,0,1|0,0,0]=3 17986 B13R1.250 CCS(=O)(=O)Nc1cccc(c1)C 232682a_100000188690_100000211323 [0,2,0,0,0,1|1,0,0]=4 17987 B13R1.250 CCS(=O)(=O)Nc1cccc(c1)C 40a_100000188690_100000053943 [0,2,0,0,0,1|1,0,0]=4 17988 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)C 270084a_100102657272_100000743697 [0,2,0,0,0,1|1,0,0]=4 17989 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)C 274078a_100102657272_100000743697 [0,2,0,0,0,1|1,0,0]=4 17990 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)C 40a_100102657272_100015207158 [0,2,0,0,0,1|1,0,0]=4 17991 B13R1.2872 C#CC(=O)Cc1cc(ccc1C)C 1458a_100000211873_100000184699 [0,2,0,0,0,1|0,0,1]=4 17992 B13R1.2872 C#CC(=O)Cc1cc(ccc1Cl)C 1458a_100000211873_100009871730 [0,2,0,0,0,1|0,0,1]=4 17993 B13R1.2872 C#CC(=O)Cc1cc(ccc1F)C 1458a_100000211873_100011260760 [0,2,0,0,0,1|0,0,1]=4 17994 B13R1.2872 C=CC(=O)Cc1cc(ccc1C)C 1458a_100000185746_100000184699 [0,2,0,0,0,1|0,0,1]=4 17995 B13R1.2872 C=CC(=O)Cc1cc(ccc1Cl)C 1458a_100000185746_100009871730 [0,2,0,0,0,1|0,0,1]=4 17996 B13R1.2872 C=CC(=O)Cc1cc(ccc1F)C 1458a_100000185746_100011260760 [0,2,0,0,0,1|0,0,1]=4 17997 B13R1.2872 C=CC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100000185746 [0,2,0,0,0,1|0,0,1]=4 17998 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100000185746 [0,2,0,0,0,1|0,0,1]=4 17999 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000185746 [0,2,0,0,0,1|0,0,1]=4 18000 B13R1.2872 C=CC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100000185746 [0,2,0,0,0,1|0,0,1]=4 18001 B13R1.2872 C=CC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000185746 [0,2,0,0,0,1|0,0,1]=4 18002 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100000185746 [0,2,0,0,0,1|0,0,1]=4 18003 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000185746 [0,2,0,0,0,1|0,0,1]=4 18004 B13R1.2872 C=CC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100000185746 [0,2,0,0,0,1|0,0,1]=4 18005 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000185746 [0,2,0,0,0,1|0,0,1]=4 18006 B13R1.2872 CC(=Cc1cc(ccc1F)C)C#N 6a_100000756917_200000212204 [0,2,0,0,0,1|1,0,0]=4 18007 B13R1.2872 CC(=Cc1cc(ccc1I)C)C#N 6a_100010150105_200000212204 [0,2,0,0,0,1|1,0,0]=4 18008 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)Br 1458a_100000210414_100011982794 [0,2,0,0,0,1|1,0,0]=4 18009 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_100000210202 [0,2,0,0,0,1|1,0,0]=4 18010 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_100000210202 [0,2,0,0,0,1|0,0,0]=3 18011 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)Cl 1458a_100000210414_100000733903 [0,2,0,0,0,1|1,0,0]=4 18012 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_100000210202 [0,2,0,0,0,1|1,0,0]=4 18013 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)F 1458a_100000210414_100000736370 [0,2,0,0,0,1|1,0,0]=4 18014 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)F 1458a_100000690878_100000210202 [0,2,0,0,0,1|1,0,0]=4 18015 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)I 1458a_100000210414_100012355412 [0,2,0,0,0,1|1,0,0]=4 18016 B13R1.2872 CCC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_100000210202 [0,2,0,0,0,1|1,0,0]=4 18017 B13R1.2872 CCC(=O)Cc1cc(ccc1C)C 1458a_100000210414_100000184699 [0,2,0,0,0,1|0,0,0]=3 18018 B13R1.2872 CCC(=O)Cc1cc(ccc1C)C 1458a_100000749331_100000210202 [0,2,0,0,0,1|0,0,0]=3 18019 B13R1.2872 CCC(=O)Cc1cc(ccc1C)Cl 1458a_100000210414_100012186985 [0,2,0,0,0,1|1,0,0]=4 18020 B13R1.2872 CCC(=O)Cc1cc(ccc1C)F 1458a_100000210414_100000709795 [0,2,0,0,0,1|1,0,0]=4 18021 B13R1.2872 CCC(=O)Cc1cc(ccc1C)F 1458a_100011219217_100000210202 [0,2,0,0,0,1|1,0,0]=4 18022 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Br 1458a_100000210414_100000763347 [0,2,0,0,0,1|1,0,0]=4 18023 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_100000210202 [0,2,0,0,0,1|1,0,0]=4 18024 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)C 1458a_100000210414_100009871730 [0,2,0,0,0,1|0,0,0]=3 18025 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000210414_100000754809 [0,2,0,0,0,1|1,0,0]=4 18026 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_100000210202 [0,2,0,0,0,1|1,0,0]=4 18027 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)F 1458a_100000210414_100000709952 [0,2,0,0,0,1|1,0,0]=4 18028 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_100000210202 [0,2,0,0,0,1|1,0,0]=4 18029 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)I 1458a_100000210414_100010188191 [0,2,0,0,0,1|1,0,0]=4 18030 B13R1.2872 CCC(=O)Cc1cc(ccc1F)Br 1458a_100000210414_100000736399 [0,2,0,0,0,1|1,0,0]=4 18031 B13R1.2872 CCC(=O)Cc1cc(ccc1F)Br 1458a_100000690877_100000210202 [0,2,0,0,0,1|1,0,0]=4 18032 B13R1.2872 CCC(=O)Cc1cc(ccc1F)C 1458a_100000210414_100011260760 [0,2,0,0,0,1|0,0,0]=3 18033 B13R1.2872 CCC(=O)Cc1cc(ccc1F)C 1458a_100011667363_100000210202 [0,2,0,0,0,1|0,0,0]=3 18034 B13R1.2872 CCC(=O)Cc1cc(ccc1F)Cl 1458a_100000210414_100000716957 [0,2,0,0,0,1|1,0,0]=4 18035 B13R1.2872 CCC(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_100000210202 [0,2,0,0,0,1|1,0,0]=4 18036 B13R1.2872 CCC(=O)Cc1cc(ccc1F)F 1458a_100000210414_100000741279 [0,2,0,0,0,1|1,0,0]=4 18037 B13R1.2872 CCC(=O)Cc1cc(ccc1F)F 1458a_100000762760_100000210202 [0,2,0,0,0,1|1,0,0]=4 18038 B13R1.2872 CCC(=O)Cc1cc(ccc1F)I 1458a_100000210414_200010149601 [0,2,0,0,0,1|1,0,0]=4 18039 B13R1.2872 CCC(=O)Cc1cc(ccc1I)Br 1458a_100000210414_100012362523 [0,2,0,0,0,1|1,0,0]=4 18040 B13R1.2872 CCC(=O)Cc1cc(ccc1I)Cl 1458a_100000210414_100012348826 [0,2,0,0,0,1|1,0,0]=4 18041 B13R1.2872 CCC(=O)Cc1cc(ccc1I)F 1458a_100000210414_100010149606 [0,2,0,0,0,1|1,0,0]=4 18042 B13R1.2872 CCC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_100000210202 [0,2,0,0,0,1|1,0,0]=4 18043 B13R1.2872 CCC(=O)Cc1cc(ccc1O)F 1458a_100000210414_100010161318 [0,2,0,0,0,1|1,0,0]=4 18044 B13R1.2872 CCC(=O)Cc1cc(ccc1O)O 1458a_100000038496_100000210202 [0,2,0,0,0,1|1,0,0]=4 18045 B13R1.2872 CCC(=O)Cc1nc(ccc1Cl)C 1458a_100000210414_200009852033 [0,2,0,0,0,1|1,0,0]=4 18046 B13R1.2872 CCC(=O)Cc1nc(ccc1O)C 1458a_100000210414_100020630696 [0,2,0,0,0,1|1,0,0]=4 18047 B13R1.2872 CCC(=O)Cn1cc(ccc1=O)C 1458a_100009850670_100000210202 [0,2,0,0,0,1|1,0,0]=4 18048 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)Br 11a_100000737762_100000210414 [0,2,0,0,0,1|1,0,0]=4 18049 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)Br 1626a_100000737762_100000210414 [0,2,0,0,0,1|1,0,0]=4 18050 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100000210414 [0,2,0,0,0,1|0,0,0]=3 18051 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100000210414 [0,2,0,0,0,1|0,0,0]=3 18052 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)Cl 11a_100000687073_100000210414 [0,2,0,0,0,1|1,0,0]=4 18053 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)Cl 1626a_100000687073_100000210414 [0,2,0,0,0,1|1,0,0]=4 18054 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)F 11a_100000687223_100000210414 [0,2,0,0,0,1|1,0,0]=4 18055 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)F 1626a_100000687223_100000210414 [0,2,0,0,0,1|1,0,0]=4 18056 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)I 11a_100000750456_100000210414 [0,2,0,0,0,1|1,0,0]=4 18057 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)I 1626a_100000750456_100000210414 [0,2,0,0,0,1|1,0,0]=4 18058 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000210414 [0,2,0,0,0,1|1,0,0]=4 18059 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100000210414 [0,2,0,0,0,1|1,0,0]=4 18060 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Br 11a_100000741167_100000210414 [0,2,0,0,0,1|1,0,0]=4 18061 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100000210414 [0,2,0,0,0,1|1,0,0]=4 18062 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000210414 [0,2,0,0,0,1|1,0,0]=4 18063 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Br 527a_100000741167_100000210414 [0,2,0,0,0,1|1,0,0]=4 18064 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C 11a_100000185781_100000210414 [0,2,0,0,0,1|0,0,0]=3 18065 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100000210414 [0,2,0,0,0,1|0,0,0]=3 18066 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000210414 [0,2,0,0,0,1|0,0,0]=3 18067 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl 11a_100000211374_100000210414 [0,2,0,0,0,1|1,0,0]=4 18068 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100000210414 [0,2,0,0,0,1|1,0,0]=4 18069 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000210414 [0,2,0,0,0,1|1,0,0]=4 18070 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl 527a_100000211374_100000210414 [0,2,0,0,0,1|1,0,0]=4 18071 B13R1.2872 CCC(=O)Nc1cc(ccc1C)F 11a_100000211107_100000210414 [0,2,0,0,0,1|1,0,0]=4 18072 B13R1.2872 CCC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100000210414 [0,2,0,0,0,1|1,0,0]=4 18073 B13R1.2872 CCC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000210414 [0,2,0,0,0,1|1,0,0]=4 18074 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 11a_100000761890_100000210414 [0,2,0,0,0,1|1,0,0]=4 18075 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100000210414 [0,2,0,0,0,1|1,0,0]=4 18076 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000210414 [0,2,0,0,0,1|1,0,0]=4 18077 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 527a_100000761890_100000210414 [0,2,0,0,0,1|1,0,0]=4 18078 B13R1.2872 CCC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000210414 [0,2,0,0,0,1|1,0,0]=4 18079 B13R1.2872 CCC(=O)Nc1cc(ccc1C)O 527a_100011216113_100000210414 [0,2,0,0,0,1|1,0,0]=4 18080 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)Br 11a_100000750497_100000210414 [0,2,0,0,0,1|1,0,0]=4 18081 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)Br 1626a_100000750497_100000210414 [0,2,0,0,0,1|1,0,0]=4 18082 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100000210414 [0,2,0,0,0,1|0,0,0]=3 18083 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100000210414 [0,2,0,0,0,1|0,0,0]=3 18084 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000210414 [0,2,0,0,0,1|0,0,0]=3 18085 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)Cl 11a_100000184485_100000210414 [0,2,0,0,0,1|1,0,0]=4 18086 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)Cl 1626a_100000184485_100000210414 [0,2,0,0,0,1|1,0,0]=4 18087 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)F 11a_100000751338_100000210414 [0,2,0,0,0,1|1,0,0]=4 18088 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)F 1626a_100000751338_100000210414 [0,2,0,0,0,1|1,0,0]=4 18089 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)I 11a_200000761891_100000210414 [0,2,0,0,0,1|1,0,0]=4 18090 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)I 1626a_200000761891_100000210414 [0,2,0,0,0,1|1,0,0]=4 18091 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100000210414 [0,2,0,0,0,1|1,0,0]=4 18092 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Br 11a_100000740924_100000210414 [0,2,0,0,0,1|1,0,0]=4 18093 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Br 1626a_100000740924_100000210414 [0,2,0,0,0,1|1,0,0]=4 18094 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Br 22a_100000740924_100000210414 [0,2,0,0,0,1|1,0,0]=4 18095 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 11a_100000211285_100000210414 [0,2,0,0,0,1|0,0,0]=3 18096 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100000210414 [0,2,0,0,0,1|0,0,0]=3 18097 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000210414 [0,2,0,0,0,1|0,0,0]=3 18098 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 527a_100000211285_100000210414 [0,2,0,0,0,1|0,0,0]=3 18099 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Cl 11a_100000212115_100000210414 [0,2,0,0,0,1|1,0,0]=4 18100 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Cl 1626a_100000212115_100000210414 [0,2,0,0,0,1|1,0,0]=4 18101 B13R1.2872 CCC(=O)Nc1cc(ccc1F)F 11a_100000210742_100000210414 [0,2,0,0,0,1|1,0,0]=4 18102 B13R1.2872 CCC(=O)Nc1cc(ccc1F)F 1626a_100000210742_100000210414 [0,2,0,0,0,1|1,0,0]=4 18103 B13R1.2872 CCC(=O)Nc1cc(ccc1F)F 22a_100000210742_100000210414 [0,2,0,0,0,1|1,0,0]=4 18104 B13R1.2872 CCC(=O)Nc1cc(ccc1F)I 11a_100011464823_100000210414 [0,2,0,0,0,1|1,0,0]=4 18105 B13R1.2872 CCC(=O)Nc1cc(ccc1F)I 1626a_100011464823_100000210414 [0,2,0,0,0,1|1,0,0]=4 18106 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100000210414 [0,2,0,0,0,1|1,0,0]=4 18107 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000210414 [0,2,0,0,0,1|1,0,0]=4 18108 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 527a_100012017239_100000210414 [0,2,0,0,0,1|1,0,0]=4 18109 B13R1.2872 CCC(=O)Nc1cc(ccc1I)Br 11a_100000743836_100000210414 [0,2,0,0,0,1|1,0,0]=4 18110 B13R1.2872 CCC(=O)Nc1cc(ccc1I)Br 1626a_100000743836_100000210414 [0,2,0,0,0,1|1,0,0]=4 18111 B13R1.2872 CCC(=O)Nc1cc(ccc1I)C 11a_100011216686_100000210414 [0,2,0,0,0,1|0,0,0]=3 18112 B13R1.2872 CCC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100000210414 [0,2,0,0,0,1|0,0,0]=3 18113 B13R1.2872 CCC(=O)Nc1cc(ccc1I)Cl 11a_100000761886_100000210414 [0,2,0,0,0,1|1,0,0]=4 18114 B13R1.2872 CCC(=O)Nc1cc(ccc1I)Cl 1626a_100000761886_100000210414 [0,2,0,0,0,1|1,0,0]=4 18115 B13R1.2872 CCC(=O)Nc1cc(ccc1I)Cl 22a_100000761886_100000210414 [0,2,0,0,0,1|1,0,0]=4 18116 B13R1.2872 CCC(=O)Nc1cc(ccc1I)F 11a_100011218093_100000210414 [0,2,0,0,0,1|1,0,0]=4 18117 B13R1.2872 CCC(=O)Nc1cc(ccc1I)F 1626a_100011218093_100000210414 [0,2,0,0,0,1|1,0,0]=4 18118 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000210414 [0,2,0,0,0,1|1,0,0]=4 18119 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100000210414 [0,2,0,0,0,1|1,0,0]=4 18120 B13R1.2872 CCC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000210414 [0,2,0,0,0,1|0,0,0]=3 18121 B13R1.2872 CCC(=O)Nc1cc(ccc1O)C 527a_100011215204_100000210414 [0,2,0,0,0,1|0,0,0]=3 18122 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000210414 [0,2,0,0,0,1|1,0,0]=4 18123 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100000210414 [0,2,0,0,0,1|1,0,0]=4 18124 B13R1.2872 CCC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000210414 [0,2,0,0,0,1|1,0,0]=4 18125 B13R1.2872 CCC(=O)Nc1cc(ccc1O)F 527a_100000759472_100000210414 [0,2,0,0,0,1|1,0,0]=4 18126 B13R1.2872 CCC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000210414 [0,2,0,0,0,1|1,0,0]=4 18127 B13R1.2872 CCC(=O)Nc1cc(ccc1O)I 527a_100000753495_100000210414 [0,2,0,0,0,1|1,0,0]=4 18128 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 11a_106832991635_100010004897 [0,2,0,0,0,1|1,0,0]=4 18129 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 240690a_100102657272_100010004897 [0,2,0,0,0,1|1,0,0]=4 18130 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 527a_100102657272_100010004897 [0,2,0,0,0,1|1,0,0]=4 18131 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 11a_106832991635_100010004923 [0,2,0,0,0,1|0,0,0]=3 18132 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 1626a_100102657272_100010004923 [0,2,0,0,0,1|0,0,0]=3 18133 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 240690a_100102657272_100010004923 [0,2,0,0,0,1|0,0,0]=3 18134 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 527a_100102657272_100010004923 [0,2,0,0,0,1|0,0,0]=3 18135 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 11a_106832991635_100000690875 [0,2,0,0,0,1|1,0,0]=4 18136 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 1626a_100102657272_100000690875 [0,2,0,0,0,1|1,0,0]=4 18137 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 240690a_100102657272_100000690875 [0,2,0,0,0,1|1,0,0]=4 18138 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 527a_100102657272_100000690875 [0,2,0,0,0,1|1,0,0]=4 18139 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 11a_106832991635_100000690878 [0,2,0,0,0,1|1,0,0]=4 18140 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 1626a_100102657272_100000690878 [0,2,0,0,0,1|1,0,0]=4 18141 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 240690a_100102657272_100000690878 [0,2,0,0,0,1|1,0,0]=4 18142 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 527a_100102657272_100000690878 [0,2,0,0,0,1|1,0,0]=4 18143 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 11a_106832991635_100010244045 [0,2,0,0,0,1|1,0,0]=4 18144 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 1626a_100102657272_100010244045 [0,2,0,0,0,1|1,0,0]=4 18145 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 240690a_100102657272_100010244045 [0,2,0,0,0,1|1,0,0]=4 18146 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 527a_100102657272_100010244045 [0,2,0,0,0,1|1,0,0]=4 18147 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 11a_106832991635_100000749331 [0,2,0,0,0,1|0,0,0]=3 18148 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 1626a_100102657272_100000749331 [0,2,0,0,0,1|0,0,0]=3 18149 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 240690a_100102657272_100000749331 [0,2,0,0,0,1|0,0,0]=3 18150 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 527a_100102657272_100000749331 [0,2,0,0,0,1|0,0,0]=3 18151 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 11a_106832991635_100011219217 [0,2,0,0,0,1|1,0,0]=4 18152 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 1626a_100102657272_100011219217 [0,2,0,0,0,1|1,0,0]=4 18153 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 240690a_100102657272_100011219217 [0,2,0,0,0,1|1,0,0]=4 18154 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 527a_100102657272_100011219217 [0,2,0,0,0,1|1,0,0]=4 18155 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 11a_106832991635_100011600618 [0,2,0,0,0,1|1,0,0]=4 18156 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 1626a_100102657272_100011600618 [0,2,0,0,0,1|1,0,0]=4 18157 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 240690a_100102657272_100011600618 [0,2,0,0,0,1|1,0,0]=4 18158 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 527a_100102657272_100011600618 [0,2,0,0,0,1|1,0,0]=4 18159 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 11a_106832991635_100000748246 [0,2,0,0,0,1|1,0,0]=4 18160 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 1626a_100102657272_100000748246 [0,2,0,0,0,1|1,0,0]=4 18161 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 240690a_100102657272_100000748246 [0,2,0,0,0,1|1,0,0]=4 18162 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 527a_100102657272_100000748246 [0,2,0,0,0,1|1,0,0]=4 18163 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 11a_106832991635_100011830335 [0,2,0,0,0,1|1,0,0]=4 18164 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 1626a_100102657272_100011830335 [0,2,0,0,0,1|1,0,0]=4 18165 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 240690a_100102657272_100011830335 [0,2,0,0,0,1|1,0,0]=4 18166 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 527a_100102657272_100011830335 [0,2,0,0,0,1|1,0,0]=4 18167 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 11a_106832991635_100000690877 [0,2,0,0,0,1|1,0,0]=4 18168 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 1626a_100102657272_100000690877 [0,2,0,0,0,1|1,0,0]=4 18169 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 240690a_100102657272_100000690877 [0,2,0,0,0,1|1,0,0]=4 18170 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 527a_100102657272_100000690877 [0,2,0,0,0,1|1,0,0]=4 18171 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 11a_106832991635_100011667363 [0,2,0,0,0,1|0,0,0]=3 18172 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 1626a_100102657272_100011667363 [0,2,0,0,0,1|0,0,0]=3 18173 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 240690a_100102657272_100011667363 [0,2,0,0,0,1|0,0,0]=3 18174 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 527a_100102657272_100011667363 [0,2,0,0,0,1|0,0,0]=3 18175 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 11a_106832991635_100011217548 [0,2,0,0,0,1|1,0,0]=4 18176 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 1626a_100102657272_100011217548 [0,2,0,0,0,1|1,0,0]=4 18177 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 240690a_100102657272_100011217548 [0,2,0,0,0,1|1,0,0]=4 18178 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 527a_100102657272_100011217548 [0,2,0,0,0,1|1,0,0]=4 18179 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 11a_106832991635_100000762760 [0,2,0,0,0,1|1,0,0]=4 18180 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 1626a_100102657272_100000762760 [0,2,0,0,0,1|1,0,0]=4 18181 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 240690a_100102657272_100000762760 [0,2,0,0,0,1|1,0,0]=4 18182 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 527a_100102657272_100000762760 [0,2,0,0,0,1|1,0,0]=4 18183 B13R1.2872 CNC(=O)Cc1cc(ccc1O)Br 240690a_100102657272_100010072483 [0,2,0,0,0,1|1,0,0]=4 18184 B13R1.2872 CNC(=O)Cn1cc(ccc1=O)C 11a_106832991635_100009850670 [0,2,0,0,0,1|1,0,0]=4 18185 B13R1.2872 CNC(=O)Cn1cc(ccc1=O)C 1626a_100102657272_100009850670 [0,2,0,0,0,1|1,0,0]=4 18186 B13R1.2872 CNC(=O)Cn1cc(ccc1=O)C 240690a_100102657272_100009850670 [0,2,0,0,0,1|1,0,0]=4 18187 B13R1.2872 CNC(=O)Cn1cc(ccc1=O)C 527a_100102657272_100009850670 [0,2,0,0,0,1|1,0,0]=4 18188 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)Br 2430a_100000737762_100102657272 [0,2,0,0,0,1|1,0,0]=4 18189 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)C 2430a_100000745044_100102657272 [0,2,0,0,0,1|0,0,0]=3 18190 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)F 2430a_100000687223_100102657272 [0,2,0,0,0,1|1,0,0]=4 18191 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)I 2430a_100000750456_100102657272 [0,2,0,0,0,1|1,0,0]=4 18192 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)I 512a_100000750456_100102657272 [0,2,0,0,0,1|1,0,0]=4 18193 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)O 2430a_100011999798_100102657272 [0,2,0,0,0,1|1,0,0]=4 18194 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Br 2430a_100000741167_100102657272 [0,2,0,0,0,1|1,0,0]=4 18195 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Br 512a_100000741167_100102657272 [0,2,0,0,0,1|1,0,0]=4 18196 B13R1.2872 CNC(=O)Nc1cc(ccc1C)C 2430a_100000185781_100102657272 [0,2,0,0,0,1|0,0,0]=3 18197 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Cl 2430a_100000211374_100102657272 [0,2,0,0,0,1|1,0,0]=4 18198 B13R1.2872 CNC(=O)Nc1cc(ccc1C)F 2430a_100000211107_100102657272 [0,2,0,0,0,1|1,0,0]=4 18199 B13R1.2872 CNC(=O)Nc1cc(ccc1C)I 2430a_100000761890_100102657272 [0,2,0,0,0,1|1,0,0]=4 18200 B13R1.2872 CNC(=O)Nc1cc(ccc1C)I 512a_100000761890_100102657272 [0,2,0,0,0,1|1,0,0]=4 18201 B13R1.2872 CNC(=O)Nc1cc(ccc1C)O 2430a_100011216113_100102657272 [0,2,0,0,0,1|1,0,0]=4 18202 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)C 2430a_100011215360_100102657272 [0,2,0,0,0,1|0,0,0]=3 18203 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)Cl 2430a_100000184485_100102657272 [0,2,0,0,0,1|1,0,0]=4 18204 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)F 2430a_100000751338_100102657272 [0,2,0,0,0,1|1,0,0]=4 18205 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)I 2430a_200000761891_100102657272 [0,2,0,0,0,1|1,0,0]=4 18206 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)O 2430a_100011934297_100102657272 [0,2,0,0,0,1|1,0,0]=4 18207 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Br 2430a_100000740924_100102657272 [0,2,0,0,0,1|1,0,0]=4 18208 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Br 512a_100000740924_100102657272 [0,2,0,0,0,1|1,0,0]=4 18209 B13R1.2872 CNC(=O)Nc1cc(ccc1F)C 2430a_100000211285_100102657272 [0,2,0,0,0,1|0,0,0]=3 18210 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Cl 2430a_100000212115_100102657272 [0,2,0,0,0,1|1,0,0]=4 18211 B13R1.2872 CNC(=O)Nc1cc(ccc1F)F 2430a_100000210742_100102657272 [0,2,0,0,0,1|1,0,0]=4 18212 B13R1.2872 CNC(=O)Nc1cc(ccc1F)I 2430a_100011464823_100102657272 [0,2,0,0,0,1|1,0,0]=4 18213 B13R1.2872 CNC(=O)Nc1cc(ccc1F)I 512a_100011464823_100102657272 [0,2,0,0,0,1|1,0,0]=4 18214 B13R1.2872 CNC(=O)Nc1cc(ccc1F)O 2430a_100012017239_100102657272 [0,2,0,0,0,1|1,0,0]=4 18215 B13R1.2872 CNC(=O)Nc1cc(ccc1I)Br 512a_100000743836_100102657272 [0,2,0,0,0,1|1,0,0]=4 18216 B13R1.2872 CNC(=O)Nc1cc(ccc1I)C 2430a_100011216686_100102657272 [0,2,0,0,0,1|0,0,0]=3 18217 B13R1.2872 CNC(=O)Nc1cc(ccc1I)F 2430a_100011218093_100102657272 [0,2,0,0,0,1|1,0,0]=4 18218 B13R1.2872 CNC(=O)Nc1cc(ccc1I)F 512a_100011218093_100102657272 [0,2,0,0,0,1|1,0,0]=4 18219 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Br 2430a_100000752626_100102657272 [0,2,0,0,0,1|1,0,0]=4 18220 B13R1.2872 CNC(=O)Nc1cc(ccc1O)C 2430a_100011215204_100102657272 [0,2,0,0,0,1|0,0,0]=3 18221 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Cl 2430a_100000210500_100102657272 [0,2,0,0,0,1|1,0,0]=4 18222 B13R1.2872 CNC(=O)Nc1cc(ccc1O)F 2430a_100000759472_100102657272 [0,2,0,0,0,1|1,0,0]=4 18223 B13R1.2872 CNC(=O)Nc1cc(ccc1O)I 2430a_100000753495_100102657272 [0,2,0,0,0,1|1,0,0]=4 18224 B13R1.2872 COC(=O)Cc1cc(ccc1O)O 271570a_203496583355_100010185610 [0,2,0,0,0,1|1,0,0]=4 18225 B13R1.2872 Cc1ccc(=O)n(c1)CC(=O)CF 1458a_100009850670_100015361967 [0,2,0,0,0,1|1,0,0]=4 18226 B13R1.2872 Cc1ccc(c(c1)CC(=O)CF)Br 1458a_100010004923_100015361967 [0,2,0,0,0,1|0,0,0]=3 18227 B13R1.2872 Cc1ccc(c(c1)CC(=O)CF)C 1458a_100000749331_100015361967 [0,2,0,0,0,1|0,0,0]=3 18228 B13R1.2872 Cc1ccc(c(c1)CC(=O)CF)F 1458a_100011667363_100015361967 [0,2,0,0,0,1|0,0,0]=3 18229 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)C 1458a_100000210174_100000184699 [0,2,0,0,0,1|0,0,0]=3 18230 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)Cl 1458a_100000210174_100009871730 [0,2,0,0,0,1|0,0,0]=3 18231 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)F 1458a_100000210174_100011260760 [0,2,0,0,0,1|0,0,0]=3 18232 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)C 22a_100000185781_100000210174 [0,2,0,0,0,1|0,0,0]=3 18233 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)Cl 22a_100011215360_100000210174 [0,2,0,0,0,1|0,0,0]=3 18234 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 22a_100000211285_100000210174 [0,2,0,0,0,1|0,0,0]=3 18235 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 527a_100000211285_100000210174 [0,2,0,0,0,1|0,0,0]=3 18236 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 22a_100011215204_100000210174 [0,2,0,0,0,1|0,0,0]=3 18237 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 527a_100011215204_100000210174 [0,2,0,0,0,1|0,0,0]=3 18238 B13R1.2872 Cc1ccc(c(n1)CC(=O)CO)Cl 1458a_100000210174_200009852033 [0,2,0,0,0,1|1,0,0]=4 18239 B13R1.2872 Cc1ccc(c(n1)CC(=O)CO)O 1458a_100000210174_100020630696 [0,2,0,0,0,1|1,0,0]=4 18240 B13R1.2872 Cc1ccc(cc1CC(=O)CF)Br 1458a_100010244045_100015361967 [0,2,0,0,0,1|1,0,0]=4 18241 B13R1.2872 Cc1ccc(cc1CC(=O)CF)F 1458a_100011219217_100015361967 [0,2,0,0,0,1|1,0,0]=4 18242 B13R1.2872 Cc1ccc(cc1CC(=O)CO)Cl 1458a_100000210174_100012186985 [0,2,0,0,0,1|1,0,0]=4 18243 B13R1.2872 Cc1ccc(cc1CC(=O)CO)F 1458a_100000210174_100000709795 [0,2,0,0,0,1|1,0,0]=4 18244 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br 22a_100000741167_100000210174 [0,2,0,0,0,1|1,0,0]=4 18245 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br 527a_100000741167_100000210174 [0,2,0,0,0,1|1,0,0]=4 18246 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl 22a_100000211374_100000210174 [0,2,0,0,0,1|1,0,0]=4 18247 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl 527a_100000211374_100000210174 [0,2,0,0,0,1|1,0,0]=4 18248 B13R1.2872 Cc1ccc(cc1NC(=O)CO)F 22a_100000211107_100000210174 [0,2,0,0,0,1|1,0,0]=4 18249 B13R1.2872 Cc1ccc(cc1NC(=O)CO)I 22a_100000761890_100000210174 [0,2,0,0,0,1|1,0,0]=4 18250 B13R1.2872 Cc1ccc(cc1NC(=O)CO)I 527a_100000761890_100000210174 [0,2,0,0,0,1|1,0,0]=4 18251 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 22a_100011216113_100000210174 [0,2,0,0,0,1|1,0,0]=4 18252 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 527a_100011216113_100000210174 [0,2,0,0,0,1|1,0,0]=4 18253 B13R1.2872 O=C(CF)Cc1cc(ccc1Br)Br 1458a_100010004897_100015361967 [0,2,0,0,0,1|1,0,0]=4 18254 B13R1.2872 O=C(CF)Cc1cc(ccc1Br)Cl 1458a_100000690875_100015361967 [0,2,0,0,0,1|1,0,0]=4 18255 B13R1.2872 O=C(CF)Cc1cc(ccc1Br)F 1458a_100000690878_100015361967 [0,2,0,0,0,1|1,0,0]=4 18256 B13R1.2872 O=C(CF)Cc1cc(ccc1Cl)Br 1458a_100011600618_100015361967 [0,2,0,0,0,1|1,0,0]=4 18257 B13R1.2872 O=C(CF)Cc1cc(ccc1Cl)Cl 1458a_100000748246_100015361967 [0,2,0,0,0,1|1,0,0]=4 18258 B13R1.2872 O=C(CF)Cc1cc(ccc1Cl)F 1458a_100011830335_100015361967 [0,2,0,0,0,1|1,0,0]=4 18259 B13R1.2872 O=C(CF)Cc1cc(ccc1F)Br 1458a_100000690877_100015361967 [0,2,0,0,0,1|1,0,0]=4 18260 B13R1.2872 O=C(CF)Cc1cc(ccc1F)Cl 1458a_100011217548_100015361967 [0,2,0,0,0,1|1,0,0]=4 18261 B13R1.2872 O=C(CF)Cc1cc(ccc1F)F 1458a_100000762760_100015361967 [0,2,0,0,0,1|1,0,0]=4 18262 B13R1.2872 O=C(CF)Cc1cc(ccc1O)Br 1458a_100010072483_100015361967 [0,2,0,0,0,1|1,0,0]=4 18263 B13R1.2872 O=C(CF)Cc1cc(ccc1O)O 1458a_100000038496_100015361967 [0,2,0,0,0,1|1,0,0]=4 18264 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)Br 1458a_100000210174_100011982794 [0,2,0,0,0,1|1,0,0]=4 18265 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)Cl 1458a_100000210174_100000733903 [0,2,0,0,0,1|1,0,0]=4 18266 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)F 1458a_100000210174_100000736370 [0,2,0,0,0,1|1,0,0]=4 18267 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)I 1458a_100000210174_100012355412 [0,2,0,0,0,1|1,0,0]=4 18268 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)Br 1458a_100000210174_100000763347 [0,2,0,0,0,1|1,0,0]=4 18269 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)Cl 1458a_100000210174_100000754809 [0,2,0,0,0,1|1,0,0]=4 18270 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)F 1458a_100000210174_100000709952 [0,2,0,0,0,1|1,0,0]=4 18271 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)I 1458a_100000210174_100010188191 [0,2,0,0,0,1|1,0,0]=4 18272 B13R1.2872 O=C(CO)Cc1cc(ccc1F)Br 1458a_100000210174_100000736399 [0,2,0,0,0,1|1,0,0]=4 18273 B13R1.2872 O=C(CO)Cc1cc(ccc1F)Cl 1458a_100000210174_100000716957 [0,2,0,0,0,1|1,0,0]=4 18274 B13R1.2872 O=C(CO)Cc1cc(ccc1F)F 1458a_100000210174_100000741279 [0,2,0,0,0,1|1,0,0]=4 18275 B13R1.2872 O=C(CO)Cc1cc(ccc1F)I 1458a_100000210174_200010149601 [0,2,0,0,0,1|1,0,0]=4 18276 B13R1.2872 O=C(CO)Cc1cc(ccc1I)Br 1458a_100000210174_100012362523 [0,2,0,0,0,1|1,0,0]=4 18277 B13R1.2872 O=C(CO)Cc1cc(ccc1I)Cl 1458a_100000210174_100012348826 [0,2,0,0,0,1|1,0,0]=4 18278 B13R1.2872 O=C(CO)Cc1cc(ccc1I)F 1458a_100000210174_100010149606 [0,2,0,0,0,1|1,0,0]=4 18279 B13R1.2872 O=C(CO)Cc1cc(ccc1O)F 1458a_100000210174_100010161318 [0,2,0,0,0,1|1,0,0]=4 18280 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 22a_100011999798_100000210174 [0,2,0,0,0,1|1,0,0]=4 18281 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 527a_100011999798_100000210174 [0,2,0,0,0,1|1,0,0]=4 18282 B13R1.2872 O=C(CO)Nc1cc(ccc1Cl)O 527a_100011934297_100000210174 [0,2,0,0,0,1|1,0,0]=4 18283 B13R1.2872 O=C(CO)Nc1cc(ccc1F)Br 22a_100000740924_100000210174 [0,2,0,0,0,1|1,0,0]=4 18284 B13R1.2872 O=C(CO)Nc1cc(ccc1F)F 22a_100000210742_100000210174 [0,2,0,0,0,1|1,0,0]=4 18285 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 22a_100012017239_100000210174 [0,2,0,0,0,1|1,0,0]=4 18286 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 527a_100012017239_100000210174 [0,2,0,0,0,1|1,0,0]=4 18287 B13R1.2872 O=C(CO)Nc1cc(ccc1I)Cl 22a_100000761886_100000210174 [0,2,0,0,0,1|1,0,0]=4 18288 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 22a_100000752626_100000210174 [0,2,0,0,0,1|1,0,0]=4 18289 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 527a_100000752626_100000210174 [0,2,0,0,0,1|1,0,0]=4 18290 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 22a_100000210500_100000210174 [0,2,0,0,0,1|1,0,0]=4 18291 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 527a_100000210500_100000210174 [0,2,0,0,0,1|1,0,0]=4 18292 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 22a_100000759472_100000210174 [0,2,0,0,0,1|1,0,0]=4 18293 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 527a_100000759472_100000210174 [0,2,0,0,0,1|1,0,0]=4 18294 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 22a_100000753495_100000210174 [0,2,0,0,0,1|1,0,0]=4 18295 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 527a_100000753495_100000210174 [0,2,0,0,0,1|1,0,0]=4 18296 B13R1.2874 C#CC(=O)Cc1cc(cc(c1)Br)C 1458a_100000211873_100012348363 [0,2,0,0,0,1|0,0,1]=4 18297 B13R1.2874 C#CC(=O)Cc1cc(cc(c1)C)C 1458a_100000211873_100000181317 [0,2,0,0,0,1|0,0,1]=4 18298 B13R1.2874 C#CC(=O)Cc1cc(cc(c1)F)C 1458a_100000211873_100011219130 [0,2,0,0,0,1|0,0,1]=4 18299 B13R1.2874 C=CC(=O)Cc1cc(cc(c1)Br)C 1458a_100000185746_100012348363 [0,2,0,0,0,1|0,0,1]=4 18300 B13R1.2874 C=CC(=O)Cc1cc(cc(c1)C)C 1458a_100000185746_100000181317 [0,2,0,0,0,1|0,0,1]=4 18301 B13R1.2874 C=CC(=O)Cc1cc(cc(c1)F)C 1458a_100000185746_100011219130 [0,2,0,0,0,1|0,0,1]=4 18302 B13R1.2874 C=CC(=O)Nc1cc(cc(c1)Br)C 1626a_100000695972_100000185746 [0,2,0,0,0,1|0,0,1]=4 18303 B13R1.2874 C=CC(=O)Nc1cc(cc(c1)Br)C 22a_100000695972_100000185746 [0,2,0,0,0,1|0,0,1]=4 18304 B13R1.2874 C=CC(=O)Nc1cc(cc(c1)C)C 1626a_100000210930_100000185746 [0,2,0,0,0,1|0,0,1]=4 18305 B13R1.2874 C=CC(=O)Nc1cc(cc(c1)C)C 22a_100000210930_100000185746 [0,2,0,0,0,1|0,0,1]=4 18306 B13R1.2874 C=CC(=O)Nc1cc(cc(c1)Cl)C 1626a_100012022512_100000185746 [0,2,0,0,0,1|0,0,1]=4 18307 B13R1.2874 C=CC(=O)Nc1cc(cc(c1)Cl)C 22a_100012022512_100000185746 [0,2,0,0,0,1|0,0,1]=4 18308 B13R1.2874 C=CC(=O)Nc1cc(cc(c1)F)C 1626a_100000742734_100000185746 [0,2,0,0,0,1|0,0,1]=4 18309 B13R1.2874 C=CC(=O)Nc1cc(cc(c1)F)C 22a_100000742734_100000185746 [0,2,0,0,0,1|0,0,1]=4 18310 B13R1.2874 C=CC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100000185746 [0,2,0,0,0,1|0,0,1]=4 18311 B13R1.2874 C=CC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000185746 [0,2,0,0,0,1|0,0,1]=4 18312 B13R1.2874 CC(=Cc1cc(cc(c1)Br)C)C#N 6a_100000686105_200000212204 [0,2,0,0,0,1|1,0,0]=4 18313 B13R1.2874 CC(=Cc1cc(cc(c1)C)C)C#N 6a_100000745632_200000212204 [0,2,0,0,0,1|1,0,0]=4 18314 B13R1.2874 CC(=Cc1cc(cc(c1)Cl)C)C#N 6a_100000684525_200000212204 [0,2,0,0,0,1|1,0,0]=4 18315 B13R1.2874 CC(=Cc1cc(cc(c1)F)C)C#N 6a_100011217087_200000212204 [0,2,0,0,0,1|1,0,0]=4 18316 B13R1.2874 CC(=Cc1cc(cc(c1)O)C)C#N 6a_100009853434_200000212204 [0,2,0,0,0,1|1,0,0]=4 18317 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Br)Br 1458a_100000210414_100011216082 [0,2,0,0,0,1|1,0,0]=4 18318 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Br)Br 1458a_100010186705_100000210202 [0,2,0,0,0,1|1,0,0]=4 18319 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Br)C 1458a_100000210414_100012348363 [0,2,0,0,0,1|0,0,0]=3 18320 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Br)F 1458a_100000210414_100000766940 [0,2,0,0,0,1|1,0,0]=4 18321 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Br)F 1458a_100011935118_100000210202 [0,2,0,0,0,1|1,0,0]=4 18322 B13R1.2874 CCC(=O)Cc1cc(cc(c1)C)C 1458a_100000210414_100000181317 [0,2,0,0,0,1|0,0,0]=3 18323 B13R1.2874 CCC(=O)Cc1cc(cc(c1)C)C 1458a_100011202310_100000210202 [0,2,0,0,0,1|0,0,0]=3 18324 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100000210414_100011219208 [0,2,0,0,0,1|1,0,0]=4 18325 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_100000210202 [0,2,0,0,0,1|1,0,0]=4 18326 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Cl)F 1458a_100000210414_100011219885 [0,2,0,0,0,1|1,0,0]=4 18327 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Cl)F 1458a_100011217690_100000210202 [0,2,0,0,0,1|1,0,0]=4 18328 B13R1.2874 CCC(=O)Cc1cc(cc(c1)F)C 1458a_100000210414_100011219130 [0,2,0,0,0,1|0,0,0]=3 18329 B13R1.2874 CCC(=O)Cc1cc(cc(c1)F)C 1458a_100011216671_100000210202 [0,2,0,0,0,1|0,0,0]=3 18330 B13R1.2874 CCC(=O)Cc1cc(cc(c1)F)F 1458a_100000210414_100000697002 [0,2,0,0,0,1|1,0,0]=4 18331 B13R1.2874 CCC(=O)Cc1cc(cc(c1)F)F 1458a_100011220011_100000210202 [0,2,0,0,0,1|1,0,0]=4 18332 B13R1.2874 CCC(=O)Cc1cc(cc(c1)I)Br 1458a_100000210414_100010146614 [0,2,0,0,0,1|1,0,0]=4 18333 B13R1.2874 CCC(=O)Cc1cc(cc(c1)I)F 1458a_100000210414_100010149605 [0,2,0,0,0,1|1,0,0]=4 18334 B13R1.2874 CCC(=O)Cc1cc(cc(n1)C)C 1458a_100000210414_100012357514 [0,2,0,0,0,1|1,0,0]=4 18335 B13R1.2874 CCC(=O)Cc1cc(nc(c1)C)C 1458a_100000210414_200000139866 [0,2,0,0,0,1|1,0,0]=4 18336 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)Br 11a_100012047176_100000210414 [0,2,0,0,0,1|1,0,0]=4 18337 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)Br 1626a_100012047176_100000210414 [0,2,0,0,0,1|1,0,0]=4 18338 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)Br 22a_100012047176_100000210414 [0,2,0,0,0,1|1,0,0]=4 18339 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)Br 527a_100012047176_100000210414 [0,2,0,0,0,1|1,0,0]=4 18340 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)C 11a_100000695972_100000210414 [0,2,0,0,0,1|0,0,0]=3 18341 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)C 1626a_100000695972_100000210414 [0,2,0,0,0,1|0,0,0]=3 18342 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)C 22a_100000695972_100000210414 [0,2,0,0,0,1|0,0,0]=3 18343 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)C 527a_100000695972_100000210414 [0,2,0,0,0,1|0,0,0]=3 18344 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)Cl 11a_100011934539_100000210414 [0,2,0,0,0,1|1,0,0]=4 18345 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)Cl 1626a_100011934539_100000210414 [0,2,0,0,0,1|1,0,0]=4 18346 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)Cl 22a_100011934539_100000210414 [0,2,0,0,0,1|1,0,0]=4 18347 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)F 11a_100000705686_100000210414 [0,2,0,0,0,1|1,0,0]=4 18348 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)F 1626a_100000705686_100000210414 [0,2,0,0,0,1|1,0,0]=4 18349 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)F 22a_100000705686_100000210414 [0,2,0,0,0,1|1,0,0]=4 18350 B13R1.2874 CCC(=O)Nc1cc(cc(c1)C)C 11a_100000210930_100000210414 [0,2,0,0,0,1|0,0,0]=3 18351 B13R1.2874 CCC(=O)Nc1cc(cc(c1)C)C 1626a_100000210930_100000210414 [0,2,0,0,0,1|0,0,0]=3 18352 B13R1.2874 CCC(=O)Nc1cc(cc(c1)C)C 22a_100000210930_100000210414 [0,2,0,0,0,1|0,0,0]=3 18353 B13R1.2874 CCC(=O)Nc1cc(cc(c1)C)C 527a_100000210930_100000210414 [0,2,0,0,0,1|0,0,0]=3 18354 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)C 11a_100012022512_100000210414 [0,2,0,0,0,1|0,0,0]=3 18355 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)C 1626a_100012022512_100000210414 [0,2,0,0,0,1|0,0,0]=3 18356 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)C 22a_100012022512_100000210414 [0,2,0,0,0,1|0,0,0]=3 18357 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)Cl 11a_100000210456_100000210414 [0,2,0,0,0,1|1,0,0]=4 18358 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)Cl 1626a_100000210456_100000210414 [0,2,0,0,0,1|1,0,0]=4 18359 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)Cl 22a_100000210456_100000210414 [0,2,0,0,0,1|1,0,0]=4 18360 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)F 11a_100000686136_100000210414 [0,2,0,0,0,1|1,0,0]=4 18361 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)F 1626a_100000686136_100000210414 [0,2,0,0,0,1|1,0,0]=4 18362 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)F 22a_100000686136_100000210414 [0,2,0,0,0,1|1,0,0]=4 18363 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)O 1626a_100000123917_100000210414 [0,2,0,0,0,1|1,0,0]=4 18364 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)O 22a_100000123917_100000210414 [0,2,0,0,0,1|1,0,0]=4 18365 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)C 11a_100000742734_100000210414 [0,2,0,0,0,1|0,0,0]=3 18366 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)C 1626a_100000742734_100000210414 [0,2,0,0,0,1|0,0,0]=3 18367 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)C 22a_100000742734_100000210414 [0,2,0,0,0,1|0,0,0]=3 18368 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)C 527a_100000742734_100000210414 [0,2,0,0,0,1|0,0,0]=3 18369 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)F 11a_100000233717_100000210414 [0,2,0,0,0,1|1,0,0]=4 18370 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)F 1626a_100000233717_100000210414 [0,2,0,0,0,1|1,0,0]=4 18371 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)F 22a_100000233717_100000210414 [0,2,0,0,0,1|1,0,0]=4 18372 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)Br 11a_100009814763_100000210414 [0,2,0,0,0,1|1,0,0]=4 18373 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)Br 1626a_100009814763_100000210414 [0,2,0,0,0,1|1,0,0]=4 18374 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)Br 22a_100009814763_100000210414 [0,2,0,0,0,1|1,0,0]=4 18375 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)Br 527a_100009814763_100000210414 [0,2,0,0,0,1|1,0,0]=4 18376 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)Cl 11a_100010147676_100000210414 [0,2,0,0,0,1|1,0,0]=4 18377 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)Cl 1626a_100010147676_100000210414 [0,2,0,0,0,1|1,0,0]=4 18378 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)Cl 22a_100010147676_100000210414 [0,2,0,0,0,1|1,0,0]=4 18379 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)F 11a_100011356972_100000210414 [0,2,0,0,0,1|1,0,0]=4 18380 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)F 1626a_100011356972_100000210414 [0,2,0,0,0,1|1,0,0]=4 18381 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)F 22a_100011356972_100000210414 [0,2,0,0,0,1|1,0,0]=4 18382 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)I 11a_200000696836_100000210414 [0,2,0,0,0,1|1,0,0]=4 18383 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)I 1626a_200000696836_100000210414 [0,2,0,0,0,1|1,0,0]=4 18384 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)I 22a_200000696836_100000210414 [0,2,0,0,0,1|1,0,0]=4 18385 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)I 527a_200000696836_100000210414 [0,2,0,0,0,1|1,0,0]=4 18386 B13R1.2874 CCC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100000210414 [0,2,0,0,0,1|0,0,0]=3 18387 B13R1.2874 CCC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000210414 [0,2,0,0,0,1|0,0,0]=3 18388 B13R1.2874 CCC(=O)Nc1cc(cc(c1)O)C 527a_100011995906_100000210414 [0,2,0,0,0,1|0,0,0]=3 18389 B13R1.2874 CCC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100000210414 [0,2,0,0,0,1|1,0,0]=4 18390 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)Br 11a_106832991635_100010186705 [0,2,0,0,0,1|1,0,0]=4 18391 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)Br 240690a_100102657272_100010186705 [0,2,0,0,0,1|1,0,0]=4 18392 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)Br 527a_100102657272_100010186705 [0,2,0,0,0,1|1,0,0]=4 18393 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)F 11a_106832991635_100011935118 [0,2,0,0,0,1|1,0,0]=4 18394 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)F 240690a_100102657272_100011935118 [0,2,0,0,0,1|1,0,0]=4 18395 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)F 527a_100102657272_100011935118 [0,2,0,0,0,1|1,0,0]=4 18396 B13R1.2874 CNC(=O)Cc1cc(cc(c1)C)C 11a_106832991635_100011202310 [0,2,0,0,0,1|0,0,0]=3 18397 B13R1.2874 CNC(=O)Cc1cc(cc(c1)C)C 240690a_100102657272_100011202310 [0,2,0,0,0,1|0,0,0]=3 18398 B13R1.2874 CNC(=O)Cc1cc(cc(c1)C)C 527a_100102657272_100011202310 [0,2,0,0,0,1|0,0,0]=3 18399 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)Cl 11a_106832991635_100012340057 [0,2,0,0,0,1|1,0,0]=4 18400 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)Cl 1626a_100102657272_100012340057 [0,2,0,0,0,1|1,0,0]=4 18401 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)Cl 240690a_100102657272_100012340057 [0,2,0,0,0,1|1,0,0]=4 18402 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)Cl 527a_100102657272_100012340057 [0,2,0,0,0,1|1,0,0]=4 18403 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)F 11a_106832991635_100011217690 [0,2,0,0,0,1|1,0,0]=4 18404 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)F 1626a_100102657272_100011217690 [0,2,0,0,0,1|1,0,0]=4 18405 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)F 240690a_100102657272_100011217690 [0,2,0,0,0,1|1,0,0]=4 18406 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)F 527a_100102657272_100011217690 [0,2,0,0,0,1|1,0,0]=4 18407 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)C 11a_106832991635_100011216671 [0,2,0,0,0,1|0,0,0]=3 18408 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)C 1626a_100102657272_100011216671 [0,2,0,0,0,1|0,0,0]=3 18409 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)C 240690a_100102657272_100011216671 [0,2,0,0,0,1|0,0,0]=3 18410 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)C 527a_100102657272_100011216671 [0,2,0,0,0,1|0,0,0]=3 18411 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)F 11a_106832991635_100011220011 [0,2,0,0,0,1|1,0,0]=4 18412 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)F 1626a_100102657272_100011220011 [0,2,0,0,0,1|1,0,0]=4 18413 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)F 240690a_100102657272_100011220011 [0,2,0,0,0,1|1,0,0]=4 18414 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)F 527a_100102657272_100011220011 [0,2,0,0,0,1|1,0,0]=4 18415 B13R1.2874 CNC(=O)Cc1cc(cc(c1)O)O 240690a_100102657272_100000080560 [0,2,0,0,0,1|1,0,0]=4 18416 B13R1.2874 CNC(=O)Cc1cc(cc(c1)O)O 527a_100102657272_100000080560 [0,2,0,0,0,1|1,0,0]=4 18417 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Br)Br 2430a_100012047176_100102657272 [0,2,0,0,0,1|1,0,0]=4 18418 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Br)Br 512a_100012047176_100102657272 [0,2,0,0,0,1|1,0,0]=4 18419 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Br)C 2430a_100000695972_100102657272 [0,2,0,0,0,1|0,0,0]=3 18420 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Br)C 512a_100000695972_100102657272 [0,2,0,0,0,1|0,0,0]=3 18421 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Br)Cl 2430a_100011934539_100102657272 [0,2,0,0,0,1|1,0,0]=4 18422 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Br)Cl 512a_100011934539_100102657272 [0,2,0,0,0,1|1,0,0]=4 18423 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Br)F 2430a_100000705686_100102657272 [0,2,0,0,0,1|1,0,0]=4 18424 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Br)F 512a_100000705686_100102657272 [0,2,0,0,0,1|1,0,0]=4 18425 B13R1.2874 CNC(=O)Nc1cc(cc(c1)C)C 2430a_100000210930_100102657272 [0,2,0,0,0,1|0,0,0]=3 18426 B13R1.2874 CNC(=O)Nc1cc(cc(c1)C)C 512a_100000210930_100102657272 [0,2,0,0,0,1|0,0,0]=3 18427 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)C 2430a_100012022512_100102657272 [0,2,0,0,0,1|0,0,0]=3 18428 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)C 512a_100012022512_100102657272 [0,2,0,0,0,1|0,0,0]=3 18429 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)Cl 2430a_100000210456_100102657272 [0,2,0,0,0,1|1,0,0]=4 18430 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)Cl 512a_100000210456_100102657272 [0,2,0,0,0,1|1,0,0]=4 18431 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)F 2430a_100000686136_100102657272 [0,2,0,0,0,1|1,0,0]=4 18432 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)F 512a_100000686136_100102657272 [0,2,0,0,0,1|1,0,0]=4 18433 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)O 2430a_100000123917_100102657272 [0,2,0,0,0,1|1,0,0]=4 18434 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)O 512a_100000123917_100102657272 [0,2,0,0,0,1|1,0,0]=4 18435 B13R1.2874 CNC(=O)Nc1cc(cc(c1)F)C 2430a_100000742734_100102657272 [0,2,0,0,0,1|0,0,0]=3 18436 B13R1.2874 CNC(=O)Nc1cc(cc(c1)F)C 512a_100000742734_100102657272 [0,2,0,0,0,1|0,0,0]=3 18437 B13R1.2874 CNC(=O)Nc1cc(cc(c1)F)F 2430a_100000233717_100102657272 [0,2,0,0,0,1|1,0,0]=4 18438 B13R1.2874 CNC(=O)Nc1cc(cc(c1)F)F 512a_100000233717_100102657272 [0,2,0,0,0,1|1,0,0]=4 18439 B13R1.2874 CNC(=O)Nc1cc(cc(c1)I)Br 2430a_100009814763_100102657272 [0,2,0,0,0,1|1,0,0]=4 18440 B13R1.2874 CNC(=O)Nc1cc(cc(c1)I)Br 512a_100009814763_100102657272 [0,2,0,0,0,1|1,0,0]=4 18441 B13R1.2874 CNC(=O)Nc1cc(cc(c1)I)Cl 2430a_100010147676_100102657272 [0,2,0,0,0,1|1,0,0]=4 18442 B13R1.2874 CNC(=O)Nc1cc(cc(c1)I)Cl 512a_100010147676_100102657272 [0,2,0,0,0,1|1,0,0]=4 18443 B13R1.2874 CNC(=O)Nc1cc(cc(c1)I)F 2430a_100011356972_100102657272 [0,2,0,0,0,1|1,0,0]=4 18444 B13R1.2874 CNC(=O)Nc1cc(cc(c1)I)F 512a_100011356972_100102657272 [0,2,0,0,0,1|1,0,0]=4 18445 B13R1.2874 CNC(=O)Nc1cc(cc(c1)I)I 2430a_200000696836_100102657272 [0,2,0,0,0,1|1,0,0]=4 18446 B13R1.2874 CNC(=O)Nc1cc(cc(c1)I)I 512a_200000696836_100102657272 [0,2,0,0,0,1|1,0,0]=4 18447 B13R1.2874 CNC(=O)Nc1cc(cc(c1)O)C 2430a_100011995906_100102657272 [0,2,0,0,0,1|0,0,0]=3 18448 B13R1.2874 CNC(=O)Nc1cc(cc(c1)O)C 512a_100011995906_100102657272 [0,2,0,0,0,1|0,0,0]=3 18449 B13R1.2874 CNC(=O)Nc1cc(cc(c1)O)O 2430a_100000043371_100102657272 [0,2,0,0,0,1|1,0,0]=4 18450 B13R1.2874 CNC(=O)Nc1cc(cc(c1)O)O 512a_100000043371_100102657272 [0,2,0,0,0,1|1,0,0]=4 18451 B13R1.2874 COC(=O)Cc1cc(cc(c1)F)O 271570a_203496583355_100012569085 [0,2,0,0,0,1|1,0,0]=4 18452 B13R1.2874 Cc1cc(cc(c1)CC(=O)CF)C 1458a_100011202310_100015361967 [0,2,0,0,0,1|0,0,0]=3 18453 B13R1.2874 Cc1cc(cc(c1)CC(=O)CF)F 1458a_100011216671_100015361967 [0,2,0,0,0,1|0,0,0]=3 18454 B13R1.2874 Cc1cc(cc(c1)CC(=O)CO)Br 1458a_100000210174_100012348363 [0,2,0,0,0,1|0,0,0]=3 18455 B13R1.2874 Cc1cc(cc(c1)CC(=O)CO)C 1458a_100000210174_100000181317 [0,2,0,0,0,1|0,0,0]=3 18456 B13R1.2874 Cc1cc(cc(c1)CC(=O)CO)F 1458a_100000210174_100011219130 [0,2,0,0,0,1|0,0,0]=3 18457 B13R1.2874 Cc1cc(cc(c1)NC(=O)CO)Br 22a_100000695972_100000210174 [0,2,0,0,0,1|0,0,0]=3 18458 B13R1.2874 Cc1cc(cc(c1)NC(=O)CO)Br 527a_100000695972_100000210174 [0,2,0,0,0,1|0,0,0]=3 18459 B13R1.2874 Cc1cc(cc(c1)NC(=O)CO)C 22a_100000210930_100000210174 [0,2,0,0,0,1|0,0,0]=3 18460 B13R1.2874 Cc1cc(cc(c1)NC(=O)CO)C 527a_100000210930_100000210174 [0,2,0,0,0,1|0,0,0]=3 18461 B13R1.2874 Cc1cc(cc(c1)NC(=O)CO)Cl 22a_100012022512_100000210174 [0,2,0,0,0,1|0,0,0]=3 18462 B13R1.2874 Cc1cc(cc(c1)NC(=O)CO)F 22a_100000742734_100000210174 [0,2,0,0,0,1|0,0,0]=3 18463 B13R1.2874 Cc1cc(cc(c1)NC(=O)CO)F 527a_100000742734_100000210174 [0,2,0,0,0,1|0,0,0]=3 18464 B13R1.2874 Cc1cc(cc(c1)NC(=O)CO)O 22a_100011995906_100000210174 [0,2,0,0,0,1|0,0,0]=3 18465 B13R1.2874 Cc1cc(cc(c1)NC(=O)CO)O 527a_100011995906_100000210174 [0,2,0,0,0,1|0,0,0]=3 18466 B13R1.2874 Cc1cc(cc(n1)C)CC(=O)CO 1458a_100000210174_200000139866 [0,2,0,0,0,1|1,0,0]=4 18467 B13R1.2874 Cc1cc(nc(c1)CC(=O)CO)C 1458a_100000210174_100012357514 [0,2,0,0,0,1|1,0,0]=4 18468 B13R1.2874 O=C(CF)Cc1cc(cc(c1)Br)Br 1458a_100010186705_100015361967 [0,2,0,0,0,1|1,0,0]=4 18469 B13R1.2874 O=C(CF)Cc1cc(cc(c1)Br)F 1458a_100011935118_100015361967 [0,2,0,0,0,1|1,0,0]=4 18470 B13R1.2874 O=C(CF)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_100015361967 [0,2,0,0,0,1|1,0,0]=4 18471 B13R1.2874 O=C(CF)Cc1cc(cc(c1)Cl)F 1458a_100011217690_100015361967 [0,2,0,0,0,1|1,0,0]=4 18472 B13R1.2874 O=C(CF)Cc1cc(cc(c1)F)F 1458a_100011220011_100015361967 [0,2,0,0,0,1|1,0,0]=4 18473 B13R1.2874 O=C(CO)Cc1cc(cc(c1)Br)Br 1458a_100000210174_100011216082 [0,2,0,0,0,1|1,0,0]=4 18474 B13R1.2874 O=C(CO)Cc1cc(cc(c1)Br)F 1458a_100000210174_100000766940 [0,2,0,0,0,1|1,0,0]=4 18475 B13R1.2874 O=C(CO)Cc1cc(cc(c1)Cl)Cl 1458a_100000210174_100011219208 [0,2,0,0,0,1|1,0,0]=4 18476 B13R1.2874 O=C(CO)Cc1cc(cc(c1)Cl)F 1458a_100000210174_100011219885 [0,2,0,0,0,1|1,0,0]=4 18477 B13R1.2874 O=C(CO)Cc1cc(cc(c1)F)F 1458a_100000210174_100000697002 [0,2,0,0,0,1|1,0,0]=4 18478 B13R1.2874 O=C(CO)Cc1cc(cc(c1)I)Br 1458a_100000210174_100010146614 [0,2,0,0,0,1|1,0,0]=4 18479 B13R1.2874 O=C(CO)Cc1cc(cc(c1)I)F 1458a_100000210174_100010149605 [0,2,0,0,0,1|1,0,0]=4 18480 B13R1.2874 O=C(CO)Nc1cc(cc(c1)Br)Br 22a_100012047176_100000210174 [0,2,0,0,0,1|1,0,0]=4 18481 B13R1.2874 O=C(CO)Nc1cc(cc(c1)Br)Br 527a_100012047176_100000210174 [0,2,0,0,0,1|1,0,0]=4 18482 B13R1.2874 O=C(CO)Nc1cc(cc(c1)Br)Cl 22a_100011934539_100000210174 [0,2,0,0,0,1|1,0,0]=4 18483 B13R1.2874 O=C(CO)Nc1cc(cc(c1)Br)F 22a_100000705686_100000210174 [0,2,0,0,0,1|1,0,0]=4 18484 B13R1.2874 O=C(CO)Nc1cc(cc(c1)Cl)Cl 22a_100000210456_100000210174 [0,2,0,0,0,1|1,0,0]=4 18485 B13R1.2874 O=C(CO)Nc1cc(cc(c1)Cl)F 22a_100000686136_100000210174 [0,2,0,0,0,1|1,0,0]=4 18486 B13R1.2874 O=C(CO)Nc1cc(cc(c1)Cl)O 22a_100000123917_100000210174 [0,2,0,0,0,1|1,0,0]=4 18487 B13R1.2874 O=C(CO)Nc1cc(cc(c1)F)F 22a_100000233717_100000210174 [0,2,0,0,0,1|1,0,0]=4 18488 B13R1.2874 O=C(CO)Nc1cc(cc(c1)I)Br 22a_100009814763_100000210174 [0,2,0,0,0,1|1,0,0]=4 18489 B13R1.2874 O=C(CO)Nc1cc(cc(c1)I)Br 527a_100009814763_100000210174 [0,2,0,0,0,1|1,0,0]=4 18490 B13R1.2874 O=C(CO)Nc1cc(cc(c1)I)Cl 22a_100010147676_100000210174 [0,2,0,0,0,1|1,0,0]=4 18491 B13R1.2874 O=C(CO)Nc1cc(cc(c1)I)F 22a_100011356972_100000210174 [0,2,0,0,0,1|1,0,0]=4 18492 B13R1.2874 O=C(CO)Nc1cc(cc(c1)I)I 22a_200000696836_100000210174 [0,2,0,0,0,1|1,0,0]=4 18493 B13R1.2874 O=C(CO)Nc1cc(cc(c1)I)I 527a_200000696836_100000210174 [0,2,0,0,0,1|1,0,0]=4 18494 B13R1.2874 O=C(CO)Nc1cc(cc(c1)O)O 527a_100000043371_100000210174 [0,2,0,0,0,1|1,0,0]=4 18495 B13R1.56 C=Cc1cc(cc(c1)OC(=O)C)F 271570a_100011290941_200015324874 [0,2,0,0,0,1|0,0,1]=4 18496 B13R1.56 CC(=Cc1cc(cc(c1)C#N)C)C 271570a_100102525489_100011998626 [0,2,0,0,0,1|1,0,0]=4 18497 B13R1.56 CC(=Cc1cc(cc(c1)C=O)C)C 271570a_100102525489_100000686105 [0,2,0,0,0,1|1,0,0]=4 18498 B13R1.56 CC(=Cc1cc(cc(c1)CN)F)C 271570a_100102525489_100020611034 [0,2,0,0,0,1|1,0,0]=4 18499 B13R1.56 CC(=Cc1cc(cc(c1)CO)Br)C 271570a_100102525489_100009814756 [0,2,0,0,0,1|1,0,0]=4 18500 B13R1.56 CC(=Cc1cc(cc(c1)CO)C)C 271570a_100102525489_100000720511 [0,2,0,0,0,1|1,0,0]=4 18501 B13R1.56 CC(=Cc1cc(cc(c1)CO)F)C 271570a_100102525489_100000766897 [0,2,0,0,0,1|1,0,0]=4 18502 B13R1.56 CC(=O)Cc1cc(cc(c1)C#N)Br 1458a_100000070787_100010204237 [0,2,0,0,0,1|0,0,1]=4 18503 B13R1.56 CC(=O)Cc1cc(cc(c1)C#N)F 1458a_100000070787_100012349702 [0,2,0,0,0,1|0,0,1]=4 18504 B13R1.56 CC(=O)Cc1cc(cc(c1)C#N)F 1458a_200012184419_200000210301 [0,2,0,0,0,1|0,0,1]=4 18505 B13R1.56 CC(=O)Nc1cc(cc(c1)C#N)Br 11a_100012002331_100015343762 [0,2,0,0,0,1|0,0,1]=4 18506 B13R1.56 CC(=O)Nc1cc(cc(c1)C#N)Br 1626a_100012002331_100015343762 [0,2,0,0,0,1|0,0,1]=4 18507 B13R1.56 CC(=O)Nc1cc(cc(c1)C#N)Br 22a_100012002331_100000070787 [0,2,0,0,0,1|0,0,1]=4 18508 B13R1.56 CC(=O)Nc1cc(cc(c1)C#N)Br 527a_100012002331_100103153847 [0,2,0,0,0,1|0,0,1]=4 18509 B13R1.56 CC(=O)Nc1cc(cc(c1)C#N)C 11a_100012017395_100015343762 [0,2,0,0,0,1|0,0,0]=3 18510 B13R1.56 CC(=O)Nc1cc(cc(c1)C#N)C 1626a_100012017395_100015343762 [0,2,0,0,0,1|0,0,0]=3 18511 B13R1.56 CC(=O)Nc1cc(cc(c1)C#N)C 22a_100012017395_100000070787 [0,2,0,0,0,1|0,0,0]=3 18512 B13R1.56 CC(=O)Nc1cc(cc(c1)C#N)C 527a_100012017395_100103153847 [0,2,0,0,0,1|0,0,0]=3 18513 B13R1.56 CC(=O)Nc1cc(cc(c1)C#N)Cl 11a_100000068067_100015343762 [0,2,0,0,0,1|0,0,1]=4 18514 B13R1.56 CC(=O)Nc1cc(cc(c1)C#N)Cl 1626a_100000068067_100015343762 [0,2,0,0,0,1|0,0,1]=4 18515 B13R1.56 CC(=O)Nc1cc(cc(c1)C#N)Cl 22a_100000068067_100000070787 [0,2,0,0,0,1|0,0,1]=4 18516 B13R1.56 CC(=O)Nc1cc(cc(c1)C#N)Cl 527a_100000068067_100103153847 [0,2,0,0,0,1|0,0,1]=4 18517 B13R1.56 CC(=O)Nc1cc(cc(c1)C#N)F 11a_100011362962_100015343762 [0,2,0,0,0,1|0,0,1]=4 18518 B13R1.56 CC(=O)Nc1cc(cc(c1)C#N)F 1626a_100011362962_100015343762 [0,2,0,0,0,1|0,0,1]=4 18519 B13R1.56 CC(=O)Nc1cc(cc(c1)C#N)F 22a_100011362962_100000070787 [0,2,0,0,0,1|0,0,1]=4 18520 B13R1.56 CC(=O)Nc1cc(cc(c1)C#N)F 527a_100011362962_100103153847 [0,2,0,0,0,1|0,0,1]=4 18521 B13R1.56 CC(=O)Nc1cc(cc(c1)CO)Cl 22a_100012002482_100000070787 [0,2,0,0,0,1|0,0,0]=3 18522 B13R1.56 CC(=O)Nc1cc(cc(c1)CO)O 22a_200000124675_100000070787 [0,2,0,0,0,1|0,0,0]=3 18523 B13R1.56 CC(=O)Nc1cc(cc(c1)CO)O 527a_200000124675_100103153847 [0,2,0,0,0,1|0,0,0]=3 18524 B13R1.56 CC(=O)Oc1cc(cc(c1)S[13CH3])F 62a_200015324874_200025704644 [0,2,0,0,0,1|0,0,0]=3 18525 B13R1.56 CC(=O)Oc1cc(cc(c1)S[13CH3])F 62a_200025704644_200015324874 [0,2,0,0,0,1|0,0,0]=3 18526 B13R1.56 CCc1cc(cc(c1)C=C(C)C)N 271570a_100102525489_100010074814 [0,2,0,0,0,1|1,0,0]=4 18527 B13R1.56 CCc1cc(cc(c1)NC(=O)C)Br 11a_100010074814_100015343762 [0,2,0,0,0,1|0,0,0]=3 18528 B13R1.56 CCc1cc(cc(c1)NC(=O)C)Br 1626a_100010074814_100015343762 [0,2,0,0,0,1|0,0,0]=3 18529 B13R1.56 CCc1cc(cc(c1)NC(=O)C)Br 22a_100010074814_100000070787 [0,2,0,0,0,1|0,0,0]=3 18530 B13R1.56 CCc1cc(cc(c1)NC(=O)C)Br 527a_100010074814_100103153847 [0,2,0,0,0,1|0,0,0]=3 18531 B13R1.56 CCc1cc(cc(c1)NC(=O)C)C 11a_100012022893_100015343762 [0,2,0,0,0,1|0,0,0]=3 18532 B13R1.56 CCc1cc(cc(c1)NC(=O)C)C 1626a_100012022893_100015343762 [0,2,0,0,0,1|0,0,0]=3 18533 B13R1.56 CCc1cc(cc(c1)NC(=O)C)C 22a_100012022893_100000070787 [0,2,0,0,0,1|0,0,0]=3 18534 B13R1.56 CCc1cc(cc(c1)NC(=O)C)C 527a_100012022893_100103153847 [0,2,0,0,0,1|0,0,0]=3 18535 B13R1.56 CCc1cc(cc(c1)NC(=O)C)O 271570a_203496583355_200011092971 [0,2,0,0,0,1|0,0,0]=3 18536 B13R1.56 CNc1cc(cc(c1)C=C(C)C)F 271570a_100102525489_106741647397 [0,2,0,0,0,1|1,0,0]=4 18537 B13R1.56 COc1cc(cc(c1)C=C(C)C)Br 271570a_100102525489_100010141301 [0,2,0,0,0,1|1,0,0]=4 18538 B13R1.56 COc1cc(cc(c1)C=C(C)C)C 271570a_100102525489_100010187550 [0,2,0,0,0,1|1,0,0]=4 18539 B13R1.56 COc1cc(cc(c1)C=C(C)C)Cl 271570a_100102525489_100010147680 [0,2,0,0,0,1|1,0,0]=4 18540 B13R1.56 COc1cc(cc(c1)C=C(C)C)F 271570a_100102525489_100011934182 [0,2,0,0,0,1|1,0,0]=4 18541 B13R1.56 COc1cc(cc(c1)C=C(C)C)N 271570a_100102525489_100000750983 [0,2,0,0,0,1|1,0,0]=4 18542 B13R1.56 COc1cc(cc(c1)C=C(C)C)O 271570a_100102525489_100010068927 [0,2,0,0,0,1|1,0,0]=4 18543 B13R1.56 COc1cc(cc(c1)CC(=O)C)Br 1458a_100000070787_100010162483 [0,2,0,0,0,1|0,0,0]=3 18544 B13R1.56 COc1cc(cc(c1)CC(=O)C)Cl 1458a_100000070787_100010188059 [0,2,0,0,0,1|0,0,0]=3 18545 B13R1.56 COc1cc(cc(c1)CC(=O)C)F 1458a_100000070787_100011934817 [0,2,0,0,0,1|0,0,0]=3 18546 B13R1.56 COc1cc(cc(c1)NC(=O)C)Br 11a_100000750983_100015343762 [0,2,0,0,0,1|0,0,0]=3 18547 B13R1.56 COc1cc(cc(c1)NC(=O)C)Br 1626a_100000750983_100015343762 [0,2,0,0,0,1|0,0,0]=3 18548 B13R1.56 COc1cc(cc(c1)NC(=O)C)Br 22a_100000750983_100000070787 [0,2,0,0,0,1|0,0,0]=3 18549 B13R1.56 COc1cc(cc(c1)NC(=O)C)Br 527a_100000750983_100103153847 [0,2,0,0,0,1|0,0,0]=3 18550 B13R1.56 COc1cc(cc(c1)NC(=O)C)C 11a_100012001870_100015343762 [0,2,0,0,0,1|0,0,0]=3 18551 B13R1.56 COc1cc(cc(c1)NC(=O)C)C 1626a_100012001870_100015343762 [0,2,0,0,0,1|0,0,0]=3 18552 B13R1.56 COc1cc(cc(c1)NC(=O)C)C 22a_100012001870_100000070787 [0,2,0,0,0,1|0,0,0]=3 18553 B13R1.56 COc1cc(cc(c1)NC(=O)C)C 527a_100012001870_100103153847 [0,2,0,0,0,1|0,0,0]=3 18554 B13R1.56 COc1cc(cc(c1)NC(=O)C)Cl 11a_100000051436_100015343762 [0,2,0,0,0,1|0,0,0]=3 18555 B13R1.56 COc1cc(cc(c1)NC(=O)C)Cl 1626a_100000051436_100015343762 [0,2,0,0,0,1|0,0,0]=3 18556 B13R1.56 COc1cc(cc(c1)NC(=O)C)Cl 22a_100000051436_100000070787 [0,2,0,0,0,1|0,0,0]=3 18557 B13R1.56 COc1cc(cc(c1)NC(=O)C)Cl 527a_100000051436_100103153847 [0,2,0,0,0,1|0,0,0]=3 18558 B13R1.56 COc1cc(cc(c1)NC(=O)C)F 11a_100000687699_100015343762 [0,2,0,0,0,1|0,0,0]=3 18559 B13R1.56 COc1cc(cc(c1)NC(=O)C)F 1626a_100000687699_100015343762 [0,2,0,0,0,1|0,0,0]=3 18560 B13R1.56 COc1cc(cc(c1)NC(=O)C)F 22a_100000687699_100000070787 [0,2,0,0,0,1|0,0,0]=3 18561 B13R1.56 COc1cc(cc(c1)NC(=O)C)F 527a_100000687699_100103153847 [0,2,0,0,0,1|0,0,0]=3 18562 B13R1.56 COc1cc(cc(c1)NC(=O)C)O 1626a_200000692186_100015343762 [0,2,0,0,0,1|0,0,0]=3 18563 B13R1.56 COc1cc(cc(c1)NC(=O)C)O 22a_200000692186_100000070787 [0,2,0,0,0,1|0,0,0]=3 18564 B13R1.56 COc1cc(cc(c1)NC(=O)C)O 527a_200000692186_100103153847 [0,2,0,0,0,1|0,0,0]=3 18565 B13R1.56 COc1cc(cc(n1)C)CC(=O)C 1458a_100000070787_200012183585 [0,2,0,0,0,1|1,0,0]=4 18566 B13R1.56 CSc1cc(cc(c1)C=C(C)C)C 271570a_100102525489_200010709730 [0,2,0,0,0,1|1,0,0]=4 18567 B13R1.56 CSc1cc(cc(c1)C=C(C)C)F 271570a_100102525489_200010245467 [0,2,0,0,0,1|1,0,0]=4 18568 B13R1.56 CSc1cc(cc(c1)OC(=O)C)F 62a_200000210301_200015324874 [0,2,0,0,0,1|0,0,0]=3 18569 B13R1.56 CSc1cc(cc(c1)OC(=O)C)F 62a_200015324874_200000210301 [0,2,0,0,0,1|0,0,0]=3 18570 B13R1.56 [13CH3]C(=O)Cc1cc(cc(c1)C#N)F 1458a_200012184419_200025704644 [0,2,0,0,0,1|0,0,1]=4 18571 B13R1.2816 CC(=Cc1cc(cc(c1C)C)N)C 271570a_100102525489_100010368239 [0,2,0,0,0,1|1,0,0]=4 18572 B13R1.2816 CC(=Cc1cc(cc(c1C)C)O)C 271570a_100102525489_100010068915 [0,2,0,0,0,1|1,0,0]=4 18573 B13R1.2816 CC(=Cc1cc(cc(c1C)F)C)C 271570a_100102525489_100015473476 [0,2,0,0,0,1|1,0,0]=4 18574 B13R1.2816 CC(=Cc1cc(cc(c1C)N)C)C 271570a_100102525489_102495365385 [0,2,0,0,0,1|1,0,0]=4 18575 B13R1.2816 CC(=Cc1cc(cc(c1F)C)C)C 271570a_100102525489_200010204574 [0,2,0,0,0,1|1,0,0]=4 18576 B13R1.2816 CC(=Cc1cc(cc(c1F)C)F)C 271570a_100102525489_100010291795 [0,2,0,0,0,1|1,0,0]=4 18577 B13R1.2816 CC(=Cc1cc(cc(c1F)F)C)C 271570a_100102525489_100010141297 [0,2,0,0,0,1|1,0,0]=4 18578 B13R1.2816 CC(=Cc1cc(cc(c1F)N)C)C 271570a_100102525489_100010589139 [0,2,0,0,0,1|1,0,0]=4 18579 B13R1.2816 CC(=Cc1cc(cc(c1N)C)Br)C 271570a_100102525489_200000690823 [0,2,0,0,0,1|1,0,0]=4 18580 B13R1.2816 CC(=Cc1cc(cc(c1N)C)C)C 271570a_100102525489_100000688863 [0,2,0,0,0,1|1,0,0]=4 18581 B13R1.2816 CC(=Cc1cc(cc(c1N)C)Cl)C 271570a_100102525489_100012344046 [0,2,0,0,0,1|1,0,0]=4 18582 B13R1.2816 CC(=Cc1cc(cc(c1N)C)F)C 271570a_100102525489_100011216670 [0,2,0,0,0,1|1,0,0]=4 18583 B13R1.2816 CC(=Cc1cc(cc(c1N)F)C)C 271570a_100102525489_100012353694 [0,2,0,0,0,1|1,0,0]=4 18584 B13R1.2816 CC(=Cc1cc(cc(c1N)N)C)C 271570a_100102525489_100012348275 [0,2,0,0,0,1|1,0,0]=4 18585 B13R1.2816 CC(=Cc1cc(cc(c1O)C)C)C 271570a_100102525489_100011934984 [0,2,0,0,0,1|1,0,0]=4 18586 B13R1.2816 CC(=Cc1cc(cc(c1O)C)Cl)C 271570a_100102525489_100012343667 [0,2,0,0,0,1|1,0,0]=4 18587 B13R1.2816 CC(=Cc1cc(cc(c1O)C)N)C 271570a_100102525489_100010064301 [0,2,0,0,0,1|1,0,0]=4 18588 B13R1.2816 CC(=Cc1cc(cc(c1O)F)C)C 271570a_100102525489_200135191068 [0,2,0,0,0,1|1,0,0]=4 18589 B13R1.2816 CC(=O)Cc1cc(cc(c1Br)F)F 1458a_100000070787_100015714476 [0,2,0,0,0,1|1,0,0]=4 18590 B13R1.2816 CC(=O)Cc1cc(cc(c1Cl)Br)I 1458a_100000070787_100021522891 [0,2,0,0,0,1|1,0,0]=4 18591 B13R1.2816 CC(=O)Cc1cc(cc(c1F)F)C 1458a_100000070787_100015889675 [0,2,0,0,0,1|0,0,0]=3 18592 B13R1.2816 CC(=O)Cc1cc(cc(c1F)F)F 1458a_100000070787_100009813678 [0,2,0,0,0,1|1,0,0]=4 18593 B13R1.2816 CC(=O)Cc1cc(cc(c1F)F)F 1458a_100011217549_200000210301 [0,2,0,0,0,1|1,0,0]=4 18594 B13R1.2816 CC(=O)Cc1cc(cc(c1I)I)I 1458a_100000070787_100010206063 [0,2,0,0,0,1|1,0,0]=4 18595 B13R1.2816 CC(=O)Cc1cc(cc(c1O)Br)Br 1458a_100000070787_200009814416 [0,2,0,0,0,1|1,0,0]=4 18596 B13R1.2816 CC(=O)Cc1cc(cc(c1O)Cl)Cl 1458a_100010323609_200000210301 [0,2,0,0,0,1|1,0,0]=4 18597 B13R1.2816 CC(=O)Cc1cc(cc(c1O)F)F 1458a_200015623426_200000210301 [0,2,0,0,0,1|1,0,0]=4 18598 B13R1.2816 CC(=O)Nc1cc(cc(c1Br)Cl)Cl 11a_200010220950_100015343762 [0,2,0,0,0,1|1,0,0]=4 18599 B13R1.2816 CC(=O)Nc1cc(cc(c1Br)Cl)Cl 1626a_200010220950_100015343762 [0,2,0,0,0,1|1,0,0]=4 18600 B13R1.2816 CC(=O)Nc1cc(cc(c1Br)F)F 11a_100000716482_100015343762 [0,2,0,0,0,1|1,0,0]=4 18601 B13R1.2816 CC(=O)Nc1cc(cc(c1Br)F)F 1626a_100000716482_100015343762 [0,2,0,0,0,1|1,0,0]=4 18602 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)Br 11a_100010206801_100015343762 [0,2,0,0,0,1|1,0,0]=4 18603 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)Br 1626a_100010206801_100015343762 [0,2,0,0,0,1|1,0,0]=4 18604 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)Br 527a_100010206801_100103153847 [0,2,0,0,0,1|1,0,0]=4 18605 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)C 11a_102495365385_100015343762 [0,2,0,0,0,1|0,0,0]=3 18606 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)C 1626a_102495365385_100015343762 [0,2,0,0,0,1|0,0,0]=3 18607 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)C 22a_102495365385_100000070787 [0,2,0,0,0,1|0,0,0]=3 18608 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)C 527a_102495365385_100103153847 [0,2,0,0,0,1|0,0,0]=3 18609 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)Cl 11a_100010063005_100015343762 [0,2,0,0,0,1|1,0,0]=4 18610 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)Cl 1626a_100010063005_100015343762 [0,2,0,0,0,1|1,0,0]=4 18611 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)Cl 527a_100010063005_100103153847 [0,2,0,0,0,1|1,0,0]=4 18612 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)F 11a_100009814351_100015343762 [0,2,0,0,0,1|1,0,0]=4 18613 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)F 1626a_100009814351_100015343762 [0,2,0,0,0,1|1,0,0]=4 18614 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)F 22a_100009814351_100000070787 [0,2,0,0,0,1|1,0,0]=4 18615 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)F 527a_100009814351_100103153847 [0,2,0,0,0,1|1,0,0]=4 18616 B13R1.2816 CC(=O)Nc1cc(cc(c1C)C)C 11a_100000035412_100015343762 [0,2,0,0,0,1|0,0,0]=3 18617 B13R1.2816 CC(=O)Nc1cc(cc(c1C)C)C 1626a_100000035412_100015343762 [0,2,0,0,0,1|0,0,0]=3 18618 B13R1.2816 CC(=O)Nc1cc(cc(c1C)C)C 22a_100000035412_100000070787 [0,2,0,0,0,1|0,0,0]=3 18619 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Cl)Cl 11a_200009956477_100015343762 [0,2,0,0,0,1|1,0,0]=4 18620 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Cl)Cl 1626a_200009956477_100015343762 [0,2,0,0,0,1|1,0,0]=4 18621 B13R1.2816 CC(=O)Nc1cc(cc(c1C)F)Br 11a_100009813729_100015343762 [0,2,0,0,0,1|1,0,0]=4 18622 B13R1.2816 CC(=O)Nc1cc(cc(c1C)F)Br 1626a_100009813729_100015343762 [0,2,0,0,0,1|1,0,0]=4 18623 B13R1.2816 CC(=O)Nc1cc(cc(c1C)F)Br 527a_100009813729_100103153847 [0,2,0,0,0,1|1,0,0]=4 18624 B13R1.2816 CC(=O)Nc1cc(cc(c1C)I)Cl 11a_200000050010_100015343762 [0,2,0,0,0,1|1,0,0]=4 18625 B13R1.2816 CC(=O)Nc1cc(cc(c1C)I)Cl 1626a_200000050010_100015343762 [0,2,0,0,0,1|1,0,0]=4 18626 B13R1.2816 CC(=O)Nc1cc(cc(c1C)I)Cl 527a_200000050010_100103153847 [0,2,0,0,0,1|1,0,0]=4 18627 B13R1.2816 CC(=O)Nc1cc(cc(c1Cl)Cl)Cl 11a_106623411496_100015343762 [0,2,0,0,0,1|1,0,0]=4 18628 B13R1.2816 CC(=O)Nc1cc(cc(c1Cl)Cl)Cl 1626a_106623411496_100015343762 [0,2,0,0,0,1|1,0,0]=4 18629 B13R1.2816 CC(=O)Nc1cc(cc(c1Cl)F)F 11a_100000037168_100015343762 [0,2,0,0,0,1|1,0,0]=4 18630 B13R1.2816 CC(=O)Nc1cc(cc(c1Cl)F)F 1626a_100000037168_100015343762 [0,2,0,0,0,1|1,0,0]=4 18631 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)C 11a_100010589139_100015343762 [0,2,0,0,0,1|0,0,0]=3 18632 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)C 1626a_100010589139_100015343762 [0,2,0,0,0,1|0,0,0]=3 18633 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)C 22a_100010589139_100000070787 [0,2,0,0,0,1|0,0,0]=3 18634 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)Cl 11a_100010110407_100015343762 [0,2,0,0,0,1|1,0,0]=4 18635 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)Cl 1626a_100010110407_100015343762 [0,2,0,0,0,1|1,0,0]=4 18636 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)F 11a_100000722353_100015343762 [0,2,0,0,0,1|1,0,0]=4 18637 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)F 1626a_100000722353_100015343762 [0,2,0,0,0,1|1,0,0]=4 18638 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)F 22a_100000722353_100000070787 [0,2,0,0,0,1|1,0,0]=4 18639 B13R1.2816 CC(=O)Nc1cc(cc(c1F)C)Br 11a_100010381932_100015343762 [0,2,0,0,0,1|0,0,0]=3 18640 B13R1.2816 CC(=O)Nc1cc(cc(c1F)C)Br 1626a_100010381932_100015343762 [0,2,0,0,0,1|0,0,0]=3 18641 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Cl)Cl 11a_100010713094_100015343762 [0,2,0,0,0,1|1,0,0]=4 18642 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Cl)Cl 1626a_100010713094_100015343762 [0,2,0,0,0,1|1,0,0]=4 18643 B13R1.2816 CC(=O)Nc1cc(cc(c1F)F)F 11a_100000037171_100015343762 [0,2,0,0,0,1|1,0,0]=4 18644 B13R1.2816 CC(=O)Nc1cc(cc(c1F)F)F 1626a_100000037171_100015343762 [0,2,0,0,0,1|1,0,0]=4 18645 B13R1.2816 CC(=O)Nc1cc(cc(c1I)Br)Cl 11a_100011155807_100015343762 [0,2,0,0,0,1|1,0,0]=4 18646 B13R1.2816 CC(=O)Nc1cc(cc(c1I)Br)Cl 1626a_100011155807_100015343762 [0,2,0,0,0,1|1,0,0]=4 18647 B13R1.2816 CC(=O)Nc1cc(cc(c1I)Br)F 11a_200010740111_100015343762 [0,2,0,0,0,1|1,0,0]=4 18648 B13R1.2816 CC(=O)Nc1cc(cc(c1I)Br)F 1626a_200010740111_100015343762 [0,2,0,0,0,1|1,0,0]=4 18649 B13R1.2816 CC(=O)Nc1cc(cc(c1I)C)Cl 11a_100000698757_100015343762 [0,2,0,0,0,1|0,0,0]=3 18650 B13R1.2816 CC(=O)Nc1cc(cc(c1I)C)Cl 1626a_100000698757_100015343762 [0,2,0,0,0,1|0,0,0]=3 18651 B13R1.2816 CC(=O)Nc1cc(cc(c1I)F)C 11a_100021129147_100015343762 [0,2,0,0,0,1|0,0,0]=3 18652 B13R1.2816 CC(=O)Nc1cc(cc(c1I)F)C 1626a_100021129147_100015343762 [0,2,0,0,0,1|0,0,0]=3 18653 B13R1.2816 CC(=O)Nc1cc(cc(c1I)F)Cl 11a_200021297760_100015343762 [0,2,0,0,0,1|1,0,0]=4 18654 B13R1.2816 CC(=O)Nc1cc(cc(c1I)F)Cl 1626a_200021297760_100015343762 [0,2,0,0,0,1|1,0,0]=4 18655 B13R1.2816 CC(=O)Nc1cc(cc(c1I)F)F 11a_100016149863_100015343762 [0,2,0,0,0,1|1,0,0]=4 18656 B13R1.2816 CC(=O)Nc1cc(cc(c1I)F)F 1626a_100016149863_100015343762 [0,2,0,0,0,1|1,0,0]=4 18657 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Br 22a_100010781877_100000070787 [0,2,0,0,0,1|1,0,0]=4 18658 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Br 527a_100010781877_100103153847 [0,2,0,0,0,1|1,0,0]=4 18659 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Cl 22a_106741647128_100000070787 [0,2,0,0,0,1|1,0,0]=4 18660 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Cl 527a_106741647128_100103153847 [0,2,0,0,0,1|1,0,0]=4 18661 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)F 22a_200011217456_100000070787 [0,2,0,0,0,1|1,0,0]=4 18662 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)F 527a_200011217456_100103153847 [0,2,0,0,0,1|1,0,0]=4 18663 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 11a_100011825904_100015343762 [0,2,0,0,0,1|0,0,0]=3 18664 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 22a_100011825904_100000070787 [0,2,0,0,0,1|0,0,0]=3 18665 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 527a_100011825904_100103153847 [0,2,0,0,0,1|0,0,0]=3 18666 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 11a_100011216242_100015343762 [0,2,0,0,0,1|0,0,0]=3 18667 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 22a_100011216242_100000070787 [0,2,0,0,0,1|0,0,0]=3 18668 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 527a_100011216242_100103153847 [0,2,0,0,0,1|0,0,0]=3 18669 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 11a_100000130126_100015343762 [0,2,0,0,0,1|0,0,0]=3 18670 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 22a_100000130126_100000070787 [0,2,0,0,0,1|0,0,0]=3 18671 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 527a_100000130126_100103153847 [0,2,0,0,0,1|0,0,0]=3 18672 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Br 22a_100000694353_100000070787 [0,2,0,0,0,1|1,0,0]=4 18673 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Br 527a_100000694353_100103153847 [0,2,0,0,0,1|1,0,0]=4 18674 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Cl 22a_100000695819_100000070787 [0,2,0,0,0,1|1,0,0]=4 18675 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Cl 527a_100000695819_100103153847 [0,2,0,0,0,1|1,0,0]=4 18676 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)Br 22a_100011217383_100000070787 [0,2,0,0,0,1|1,0,0]=4 18677 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)Br 527a_100011217383_100103153847 [0,2,0,0,0,1|1,0,0]=4 18678 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 1626a_100015205836_100015343762 [0,2,0,0,0,1|1,0,0]=4 18679 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 22a_100015205836_100000070787 [0,2,0,0,0,1|1,0,0]=4 18680 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 527a_100015205836_100103153847 [0,2,0,0,0,1|1,0,0]=4 18681 B13R1.2816 CC(=O)Nc1cc(cc(c1O)I)Br 22a_100016071998_100000070787 [0,2,0,0,0,1|1,0,0]=4 18682 B13R1.2816 CC(=O)Nc1cc(cc(c1O)I)Br 527a_100016071998_100103153847 [0,2,0,0,0,1|1,0,0]=4 18683 B13R1.2816 [13CH3]C(=O)Cc1cc(cc(c1F)F)F 1458a_100011217549_200025704644 [0,2,0,0,0,1|1,0,0]=4 18684 B13R1.2816 [13CH3]C(=O)Cc1cc(cc(c1O)Cl)Cl 1458a_100010323609_200025704644 [0,2,0,0,0,1|1,0,0]=4 18685 B13R1.2816 [13CH3]C(=O)Cc1cc(cc(c1O)F)F 1458a_200015623426_200025704644 [0,2,0,0,0,1|1,0,0]=4 18686 B13R1.3421 Cc1cc(cc(c1)NS(=O)(=O)C)Br 40a_100000695972_100000738038 [0,2,0,0,0,1|1,0,0]=4 18687 B13R1.3421 Cc1cc(cc(c1)NS(=O)(=O)C)C 40a_100000210930_100000738038 [0,2,0,0,0,1|1,0,0]=4 18688 B13R1.3421 Cc1cc(cc(c1)NS(=O)(=O)C)Cl 40a_100012022512_100000738038 [0,2,0,0,0,1|1,0,0]=4 18689 B13R1.3421 Cc1cc(cc(c1)NS(=O)(=O)C)F 40a_100000742734_100000738038 [0,2,0,0,0,1|1,0,0]=4 18690 B13R1.3421 Cc1cc(cc(c1)NS(=O)(=O)C)O 40a_100011995906_100000738038 [0,2,0,0,0,1|1,0,0]=4 18691 B13R1.3423 CC(=C(C)c1cc(cc(c1)C)C)C 271570a_200000049429_100011215608 [0,2,0,0,0,1|1,0,0]=4 18692 B13R1.3423 CC(=C(C)c1cc(cc(c1)Cl)C)C 271570a_200000049429_100010172791 [0,2,0,0,0,1|1,0,0]=4 18693 B13R1.3423 CC(=C(C)c1cc(cc(c1)F)C)C 271570a_200000049429_100011356977 [0,2,0,0,0,1|1,0,0]=4 18694 B13R1.3423 CC(=C(C)c1cc(cc(c1)N)C)C 271570a_200000049429_100000695972 [0,2,0,0,0,1|1,0,0]=4 18695 B13R1.3423 CC(=C(C)c1cc(cc(c1)O)C)C 271570a_200000049429_100011999630 [0,2,0,0,0,1|1,0,0]=4 18696 B13R1.3423 CC(=O)C(O)c1cc(cc(c1)F)F 1458a_100011218751_200000210301 [0,2,0,0,0,1|1,0,0]=4 18697 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)Br)F 11a_106741647397_100015343762 [0,2,0,0,0,1|1,0,0]=4 18698 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)Br)F 1626a_106741647397_100015343762 [0,2,0,0,0,1|1,0,0]=4 18699 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)Br)F 22a_106741647397_100000070787 [0,2,0,0,0,1|1,0,0]=4 18700 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)Cl)Cl 11a_100000220458_100015343762 [0,2,0,0,0,1|1,0,0]=4 18701 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)Cl)Cl 1626a_100000220458_100015343762 [0,2,0,0,0,1|1,0,0]=4 18702 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)Cl)Cl 22a_100000220458_100000070787 [0,2,0,0,0,1|1,0,0]=4 18703 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)F)C 11a_103496528823_100015343762 [0,2,0,0,0,1|0,0,0]=3 18704 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)F)C 1626a_103496528823_100015343762 [0,2,0,0,0,1|0,0,0]=3 18705 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)F)C 22a_103496528823_100000070787 [0,2,0,0,0,1|0,0,0]=3 18706 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)F)F 11a_100011233154_100015343762 [0,2,0,0,0,1|1,0,0]=4 18707 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)F)F 1626a_100011233154_100015343762 [0,2,0,0,0,1|1,0,0]=4 18708 B13R1.3423 CC(=O)N(C)c1cc(cc(c1)F)F 22a_100011233154_100000070787 [0,2,0,0,0,1|1,0,0]=4 18709 B13R1.3423 [13CH3]C(=O)C(O)c1cc(cc(c1)F)F 1458a_100011218751_200025704644 [0,2,0,0,0,1|1,0,0]=4 18710 B13R1.80 CCc1cccc(c1)NS(=O)(=O)C 40a_100000211250_100000738038 [0,2,0,0,0,1|1,0,0]=4 18711 B13R1.80 CNc1cccc(c1)CS(=O)(=O)C 2230a_100000747548_200000210301 [0,2,0,0,0,1|1,0,0]=4 18712 B13R1.80 CNc1cccc(c1)CS(=O)(=O)C 34a_100000747548_200000210301 [0,2,0,0,0,1|1,0,0]=4 18713 B13R1.80 CNc1cccc(c1)CS(=O)(=O)C 7a_100000747548_200000210301 [0,2,0,0,0,1|1,0,0]=4 18714 B13R1.80 CNc1cccc(c1)NS(=O)(=O)C 34a_100000736748_200000210301 [0,2,0,0,0,1|1,0,0]=4 18715 B13R1.80 COc1cccc(c1)NS(=O)(=O)C 40a_100000210024_100000738038 [0,2,0,0,0,1|1,0,0]=4 18716 B13R1.80 CS(=O)(=O)Cc1cccc(c1)N[13CH3] 2230a_100000747548_200025704644 [0,2,0,0,0,1|1,0,0]=4 18717 B13R1.80 CS(=O)(=O)Cc1cccc(c1)N[13CH3] 34a_100000747548_200025704644 [0,2,0,0,0,1|1,0,0]=4 18718 B13R1.80 CS(=O)(=O)Cc1cccc(c1)N[13CH3] 7a_100000747548_200025704644 [0,2,0,0,0,1|1,0,0]=4 18719 B13R1.80 CS(=O)(=O)Cc1cccc(c1)S[13CH3] 62a_200009814643_200025704644 [0,2,0,0,0,1|1,0,0]=4 18720 B13R1.80 CS(=O)(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_200009814643 [0,2,0,0,0,1|1,0,0]=4 18721 B13R1.80 CS(=O)(=O)Nc1cccc(c1)CF 40a_100000126320_100000738038 [0,2,0,0,0,1|1,0,0]=4 18722 B13R1.80 CS(=O)(=O)Nc1cccc(c1)CO 40a_100000211919_100000738038 [0,2,0,0,0,1|1,0,0]=4 18723 B13R1.80 CS(=O)(=O)Nc1cccc(c1)N[13CH3] 34a_100000736748_200025704644 [0,2,0,0,0,1|1,0,0]=4 18724 B13R1.80 CS(=O)(=O)Nc1cccc(c1)S[13CH3] 62a_100000165606_200025704644 [0,2,0,0,0,1|1,0,0]=4 18725 B13R1.80 CS(=O)(=O)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000165606 [0,2,0,0,0,1|1,0,0]=4 18726 B13R1.80 CSc1cccc(c1)CS(=O)(=O)C 62a_200000210301_200009814643 [0,2,0,0,0,1|1,0,0]=4 18727 B13R1.80 CSc1cccc(c1)CS(=O)(=O)C 62a_200009814643_200000210301 [0,2,0,0,0,1|1,0,0]=4 18728 B13R1.80 CSc1cccc(c1)NS(=O)(=O)C 40a_100000210049_100000738038 [0,2,0,0,0,1|1,0,0]=4 18729 B13R1.80 CSc1cccc(c1)NS(=O)(=O)C 62a_100000165606_200000210301 [0,2,0,0,0,1|1,0,0]=4 18730 B13R1.80 CSc1cccc(c1)NS(=O)(=O)C 62a_200000210301_100000165606 [0,2,0,0,0,1|1,0,0]=4 18731 B13R1.151 Cc1cccc(c1Br)NS(=O)(=O)C 40a_100000684715_100000738038 [0,2,0,0,0,1|1,0,0]=4 18732 B13R1.151 Cc1cccc(c1C)NS(=O)(=O)C 40a_100000210026_100000738038 [0,2,0,0,0,1|1,0,0]=4 18733 B13R1.151 Cc1cccc(c1Cl)NS(=O)(=O)C 40a_100000765562_100000738038 [0,2,0,0,0,1|1,0,0]=4 18734 B13R1.151 Cc1cccc(c1F)NS(=O)(=O)C 40a_100000697159_100000738038 [0,2,0,0,0,1|1,0,0]=4 18735 B13R1.151 Cc1cccc(c1I)NS(=O)(=O)C 40a_100000761888_100000738038 [0,2,0,0,0,1|1,0,0]=4 18736 B13R1.151 Cc1cccc(c1O)NS(=O)(=O)C 271570a_203496583355_100012962443 [0,2,0,0,0,1|1,0,0]=4 18737 B13R1.151 Cc1cccc(c1O)NS(=O)(=O)C 40a_100000756359_100000738038 [0,2,0,0,0,1|1,0,0]=4 18738 B13R1.894 Cc1ccc(c(c1)NS(=O)(=O)C)C 40a_100000185781_100000738038 [0,2,0,0,0,1|1,0,0]=4 18739 B13R1.894 Cc1ccc(c(c1)NS(=O)(=O)C)Cl 40a_100011215360_100000738038 [0,2,0,0,0,1|1,0,0]=4 18740 B13R1.894 Cc1ccc(c(c1)NS(=O)(=O)C)F 40a_100000211285_100000738038 [0,2,0,0,0,1|1,0,0]=4 18741 B13R1.894 Cc1ccc(c(c1)NS(=O)(=O)C)I 40a_100011216686_100000738038 [0,2,0,0,0,1|1,0,0]=4 18742 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)C 11a_100012022948_100015343762 [0,2,0,0,0,1|0,0,1]=4 18743 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)C 1626a_100012022948_100015343762 [0,2,0,0,0,1|0,0,1]=4 18744 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)C 22a_100012022948_100000070787 [0,2,0,0,0,1|0,0,1]=4 18745 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)C 527a_100012022948_100103153847 [0,2,0,0,0,1|0,0,1]=4 18746 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)F 11a_100000100531_100015343762 [0,2,0,0,0,1|0,0,1]=4 18747 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)F 1626a_100000100531_100015343762 [0,2,0,0,0,1|0,0,1]=4 18748 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)F 22a_100000100531_100000070787 [0,2,0,0,0,1|0,0,1]=4 18749 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)F 527a_100000100531_100103153847 [0,2,0,0,0,1|0,0,1]=4 18750 B13R1.97 C=Cc1ccc(c(c1)CC(=O)C)O 271570a_100011290941_200010006938 [0,2,0,0,0,1|0,0,1]=4 18751 B13R1.97 C=Cc1ccc(c(c1)NC(=O)C)C 271570a_100011290941_100011344836 [0,2,0,0,0,1|0,0,1]=4 18752 B13R1.97 C=Cc1ccc(c(c1)NC(=O)C)F 271570a_100011290941_200011951791 [0,2,0,0,0,1|0,0,1]=4 18753 B13R1.97 C=Cc1ccc(c(c1)OC(=O)C)C 271570a_100011290941_100103282185 [0,2,0,0,0,1|0,0,1]=4 18754 B13R1.97 CC(=Cc1cc(ccc1C)CO)C 271570a_100102525489_100000050133 [0,2,0,0,0,1|1,0,0]=4 18755 B13R1.97 CC(=Cc1cc(ccc1F)CN)C 271570a_100102525489_100015193890 [0,2,0,0,0,1|1,0,0]=4 18756 B13R1.97 CC(=Cc1cc(ccc1F)CO)C 271570a_100102525489_100000246287 [0,2,0,0,0,1|1,0,0]=4 18757 B13R1.97 CC(=Cc1cc(ccc1O)CO)C 271570a_100102525489_100011191544 [0,2,0,0,0,1|1,0,0]=4 18758 B13R1.97 CC(=O)Cc1cc(ccc1Br)C#N 1458a_100000070787_100012145668 [0,2,0,0,0,1|0,0,1]=4 18759 B13R1.97 CC(=O)Cc1cc(ccc1F)C#N 1458a_100000070787_100000239971 [0,2,0,0,0,1|0,0,1]=4 18760 B13R1.97 CC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200010006938_200025704644 [0,2,0,0,0,1|0,0,0]=3 18761 B13R1.97 CC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200025704644_200010006938 [0,2,0,0,0,1|0,0,0]=3 18762 B13R1.97 CC(=O)Nc1cc(ccc1Br)C#N 11a_100012001879_100015343762 [0,2,0,0,0,1|0,0,1]=4 18763 B13R1.97 CC(=O)Nc1cc(ccc1Br)C#N 1626a_100012001879_100015343762 [0,2,0,0,0,1|0,0,1]=4 18764 B13R1.97 CC(=O)Nc1cc(ccc1C)C#N 11a_100000748024_100015343762 [0,2,0,0,0,1|0,0,1]=4 18765 B13R1.97 CC(=O)Nc1cc(ccc1C)C#N 1626a_100000748024_100015343762 [0,2,0,0,0,1|0,0,1]=4 18766 B13R1.97 CC(=O)Nc1cc(ccc1C)C#N 22a_100000748024_100000070787 [0,2,0,0,0,1|0,0,1]=4 18767 B13R1.97 CC(=O)Nc1cc(ccc1C)C#N 527a_100000748024_100103153847 [0,2,0,0,0,1|0,0,1]=4 18768 B13R1.97 CC(=O)Nc1cc(ccc1C)CO 22a_100000758420_100000070787 [0,2,0,0,0,1|0,0,0]=3 18769 B13R1.97 CC(=O)Nc1cc(ccc1C)N[13CH3] 34a_100000740626_200025704644 [0,2,0,0,0,1|0,0,0]=3 18770 B13R1.97 CC(=O)Nc1cc(ccc1C)N[13CH3] 7a_100000740626_200025704644 [0,2,0,0,0,1|0,0,0]=3 18771 B13R1.97 CC(=O)Nc1cc(ccc1C)S[13CH3] 62a_200025704644_100011344836 [0,2,0,0,0,1|0,0,0]=3 18772 B13R1.97 CC(=O)Nc1cc(ccc1Cl)C#N 11a_100000766345_100015343762 [0,2,0,0,0,1|0,0,1]=4 18773 B13R1.97 CC(=O)Nc1cc(ccc1Cl)C#N 1626a_100000766345_100015343762 [0,2,0,0,0,1|0,0,1]=4 18774 B13R1.97 CC(=O)Nc1cc(ccc1Cl)N[13CH3] 34a_100000745429_200025704644 [0,2,0,0,0,1|0,0,0]=3 18775 B13R1.97 CC(=O)Nc1cc(ccc1Cl)N[13CH3] 7a_100000745429_200025704644 [0,2,0,0,0,1|0,0,0]=3 18776 B13R1.97 CC(=O)Nc1cc(ccc1F)C#N 11a_100011934650_100015343762 [0,2,0,0,0,1|0,0,1]=4 18777 B13R1.97 CC(=O)Nc1cc(ccc1F)C#N 1626a_100011934650_100015343762 [0,2,0,0,0,1|0,0,1]=4 18778 B13R1.97 CC(=O)Nc1cc(ccc1F)C#N 22a_100011934650_100000070787 [0,2,0,0,0,1|0,0,1]=4 18779 B13R1.97 CC(=O)Nc1cc(ccc1F)C#N 527a_100011934650_100103153847 [0,2,0,0,0,1|0,0,1]=4 18780 B13R1.97 CC(=O)Nc1cc(ccc1F)CO 22a_102125399562_100000070787 [0,2,0,0,0,1|0,0,0]=3 18781 B13R1.97 CC(=O)Nc1cc(ccc1F)N[13CH3] 34a_100000736141_200025704644 [0,2,0,0,0,1|0,0,0]=3 18782 B13R1.97 CC(=O)Nc1cc(ccc1F)N[13CH3] 7a_100000736141_200025704644 [0,2,0,0,0,1|0,0,0]=3 18783 B13R1.97 CC(=O)Nc1cc(ccc1F)S[13CH3] 62a_200025704644_200011951791 [0,2,0,0,0,1|0,0,0]=3 18784 B13R1.97 CC(=O)Nc1cc(ccc1I)C#N 11a_200012349464_100015343762 [0,2,0,0,0,1|0,0,1]=4 18785 B13R1.97 CC(=O)Nc1cc(ccc1I)C#N 1626a_200012349464_100015343762 [0,2,0,0,0,1|0,0,1]=4 18786 B13R1.97 CC(=O)Nc1cc(ccc1O)C#N 22a_100000766272_100000070787 [0,2,0,0,0,1|0,0,1]=4 18787 B13R1.97 CC(=O)Nc1cc(ccc1O)C#N 527a_100000766272_100103153847 [0,2,0,0,0,1|0,0,1]=4 18788 B13R1.97 CC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000070787 [0,2,0,0,0,1|0,0,0]=3 18789 B13R1.97 CC(=O)Nc1cc(ccc1O)CO 527a_100000123545_100103153847 [0,2,0,0,0,1|0,0,0]=3 18790 B13R1.97 CC(=O)Nc1cc(ccc1O)N[13CH3] 34a_100000070259_200025704644 [0,2,0,0,0,1|0,0,0]=3 18791 B13R1.97 CC(=O)Nc1cc(ccc1O)N[13CH3] 7a_100000070259_200025704644 [0,2,0,0,0,1|0,0,0]=3 18792 B13R1.97 CC(=O)Nc1cc(cnc1C)S[13CH3] 62a_100010117071_200025704644 [0,2,0,0,0,1|1,0,0]=4 18793 B13R1.97 CC(=O)Nc1cc(cnc1C)S[13CH3] 62a_200025704644_100010117071 [0,2,0,0,0,1|1,0,0]=4 18794 B13R1.97 CC(=O)Oc1cc(ccc1C)S[13CH3] 62a_100103282185_200025704644 [0,2,0,0,0,1|0,0,0]=3 18795 B13R1.97 CC(=O)Oc1cc(ccc1C)S[13CH3] 62a_200025704644_100103282185 [0,2,0,0,0,1|0,0,0]=3 18796 B13R1.97 CCc1ccc(c(c1)C=C(C)C)F 271570a_100102525489_200010244628 [0,2,0,0,0,1|1,0,0]=4 18797 B13R1.97 CCc1ccc(c(c1)C=C(C)C)N 271570a_100102525489_100012339725 [0,2,0,0,0,1|1,0,0]=4 18798 B13R1.97 CCc1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100012339963 [0,2,0,0,0,1|1,0,0]=4 18799 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 11a_200012022522_100015343762 [0,2,0,0,0,1|0,0,0]=3 18800 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 1626a_200012022522_100015343762 [0,2,0,0,0,1|0,0,0]=3 18801 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 22a_200012022522_100000070787 [0,2,0,0,0,1|0,0,0]=3 18802 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 527a_200012022522_100103153847 [0,2,0,0,0,1|0,0,0]=3 18803 B13R1.97 CCc1ccc(c(c1)NC(=O)C)O 22a_100000765835_100000070787 [0,2,0,0,0,1|0,0,0]=3 18804 B13R1.97 CCc1ccc(c(c1)NC(=O)C)O 527a_100000765835_100103153847 [0,2,0,0,0,1|0,0,0]=3 18805 B13R1.97 CNc1ccc(c(c1)C=C(C)C)C 271570a_100102525489_100000707694 [0,2,0,0,0,1|1,0,0]=4 18806 B13R1.97 CNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_200000210301 [0,2,0,0,0,1|0,0,0]=3 18807 B13R1.97 CNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_200000210301 [0,2,0,0,0,1|0,0,0]=3 18808 B13R1.97 CNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_200000210301 [0,2,0,0,0,1|0,0,0]=3 18809 B13R1.97 CNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_200000210301 [0,2,0,0,0,1|0,0,0]=3 18810 B13R1.97 CNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_200000210301 [0,2,0,0,0,1|0,0,0]=3 18811 B13R1.97 CNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_200000210301 [0,2,0,0,0,1|0,0,0]=3 18812 B13R1.97 CNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_200000210301 [0,2,0,0,0,1|0,0,0]=3 18813 B13R1.97 CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_200000210301 [0,2,0,0,0,1|0,0,0]=3 18814 B13R1.97 COc1ccc(c(c1)C=C(C)C)Br 271570a_100102525489_100009992028 [0,2,0,0,0,1|1,0,0]=4 18815 B13R1.97 COc1ccc(c(c1)C=C(C)C)C 271570a_100102525489_100012349166 [0,2,0,0,0,1|1,0,0]=4 18816 B13R1.97 COc1ccc(c(c1)C=C(C)C)Cl 271570a_100102525489_100011356938 [0,2,0,0,0,1|1,0,0]=4 18817 B13R1.97 COc1ccc(c(c1)C=C(C)C)F 271570a_100102525489_100000699733 [0,2,0,0,0,1|1,0,0]=4 18818 B13R1.97 COc1ccc(c(c1)C=C(C)C)N 271570a_100102525489_100015195136 [0,2,0,0,0,1|1,0,0]=4 18819 B13R1.97 COc1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100000685887 [0,2,0,0,0,1|1,0,0]=4 18820 B13R1.97 COc1ccc(c(c1)CC(=O)C)Br 1458a_100000070787_100000761528 [0,2,0,0,0,1|0,0,0]=3 18821 B13R1.97 COc1ccc(c(c1)CC(=O)C)Br 1458a_100000690513_200000210301 [0,2,0,0,0,1|0,0,0]=3 18822 B13R1.97 COc1ccc(c(c1)CC(=O)C)Cl 1458a_100000070787_100000718613 [0,2,0,0,0,1|0,0,0]=3 18823 B13R1.97 COc1ccc(c(c1)CC(=O)C)Cl 1458a_100010217559_200000210301 [0,2,0,0,0,1|0,0,0]=3 18824 B13R1.97 COc1ccc(c(c1)CC(=O)C)F 1458a_100000070787_100010243555 [0,2,0,0,0,1|0,0,0]=3 18825 B13R1.97 COc1ccc(c(c1)CC(=O)C)F 1458a_100009868546_200000210301 [0,2,0,0,0,1|0,0,0]=3 18826 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100000690513_200025704644 [0,2,0,0,0,1|0,0,0]=3 18827 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])Cl 1458a_100010217559_200025704644 [0,2,0,0,0,1|0,0,0]=3 18828 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100009868546_200025704644 [0,2,0,0,0,1|0,0,0]=3 18829 B13R1.97 COc1ccc(c(c1)NC(=O)C)Br 11a_100000748603_100015343762 [0,2,0,0,0,1|0,0,0]=3 18830 B13R1.97 COc1ccc(c(c1)NC(=O)C)Br 1626a_100000748603_100015343762 [0,2,0,0,0,1|0,0,0]=3 18831 B13R1.97 COc1ccc(c(c1)NC(=O)C)Br 22a_100000748603_100000070787 [0,2,0,0,0,1|0,0,0]=3 18832 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 11a_100000760359_100015343762 [0,2,0,0,0,1|0,0,0]=3 18833 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 1626a_100000760359_100015343762 [0,2,0,0,0,1|0,0,0]=3 18834 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 22a_100000760359_100000070787 [0,2,0,0,0,1|0,0,0]=3 18835 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 527a_100000760359_100103153847 [0,2,0,0,0,1|0,0,0]=3 18836 B13R1.97 COc1ccc(c(c1)NC(=O)C)Cl 11a_100000745576_100015343762 [0,2,0,0,0,1|0,0,0]=3 18837 B13R1.97 COc1ccc(c(c1)NC(=O)C)Cl 1626a_100000745576_100015343762 [0,2,0,0,0,1|0,0,0]=3 18838 B13R1.97 COc1ccc(c(c1)NC(=O)C)Cl 22a_100000745576_100000070787 [0,2,0,0,0,1|0,0,0]=3 18839 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 11a_100000764331_100015343762 [0,2,0,0,0,1|0,0,0]=3 18840 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 1626a_100000764331_100015343762 [0,2,0,0,0,1|0,0,0]=3 18841 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 22a_100000764331_100000070787 [0,2,0,0,0,1|0,0,0]=3 18842 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 527a_100000764331_100103153847 [0,2,0,0,0,1|0,0,0]=3 18843 B13R1.97 COc1ccc(c(c1)NC(=O)C)I 11a_100000748021_100015343762 [0,2,0,0,0,1|0,0,0]=3 18844 B13R1.97 COc1ccc(c(c1)NC(=O)C)I 1626a_100000748021_100015343762 [0,2,0,0,0,1|0,0,0]=3 18845 B13R1.97 COc1ccc(c(c1)NC(=O)C)I 22a_100000748021_100000070787 [0,2,0,0,0,1|0,0,0]=3 18846 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 22a_100000188146_100000070787 [0,2,0,0,0,1|0,0,0]=3 18847 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 271570a_203496583355_100011665069 [0,2,0,0,0,1|0,0,0]=3 18848 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 527a_100000188146_100103153847 [0,2,0,0,0,1|0,0,0]=3 18849 B13R1.97 CSc1ccc(c(c1)C=C(C)C)F 271570a_100102525489_200010708804 [0,2,0,0,0,1|1,0,0]=4 18850 B13R1.97 CSc1ccc(c(c1)CC(=O)C)O 62a_200000210301_200010006938 [0,2,0,0,0,1|0,0,0]=3 18851 B13R1.97 CSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_200000210301 [0,2,0,0,0,1|0,0,0]=3 18852 B13R1.97 CSc1ccc(c(c1)NC(=O)C)C 62a_200000210301_100011344836 [0,2,0,0,0,1|0,0,0]=3 18853 B13R1.97 CSc1ccc(c(c1)NC(=O)C)F 62a_200000210301_200011951791 [0,2,0,0,0,1|0,0,0]=3 18854 B13R1.97 CSc1ccc(c(c1)OC(=O)C)C 62a_100103282185_200000210301 [0,2,0,0,0,1|0,0,0]=3 18855 B13R1.97 CSc1ccc(c(c1)OC(=O)C)C 62a_200000210301_100103282185 [0,2,0,0,0,1|0,0,0]=3 18856 B13R1.97 CSc1cnc(c(c1)NC(=O)C)C 62a_100010117071_200000210301 [0,2,0,0,0,1|1,0,0]=4 18857 B13R1.97 CSc1cnc(c(c1)NC(=O)C)C 62a_200000210301_100010117071 [0,2,0,0,0,1|1,0,0]=4 18858 B13R1.885 CC(=O)Cc1c(ccc(c1Br)Cl)F 1458a_100000070787_100011099539 [0,2,0,0,0,1|1,0,0]=4 18859 B13R1.885 CC(=O)Cc1c(ccc(c1Br)F)F 1458a_100016070055_200000210301 [0,2,0,0,0,1|1,0,0]=4 18860 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)C)Cl 1458a_100000070787_200010220899 [0,2,0,0,0,1|0,0,0]=3 18861 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)C)F 1458a_100000038137_200000210301 [0,2,0,0,0,1|0,0,0]=3 18862 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)C)F 1458a_100000070787_100009813558 [0,2,0,0,0,1|0,0,0]=3 18863 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)Cl)F 1458a_100000062034_200000210301 [0,2,0,0,0,1|1,0,0]=4 18864 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)F)F 1458a_100000037411_200000210301 [0,2,0,0,0,1|1,0,0]=4 18865 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)F)F 1458a_100000070787_100009813715 [0,2,0,0,0,1|1,0,0]=4 18866 B13R1.885 CC(=O)Cc1c(ccc(c1F)Br)Cl 1458a_100000070787_100010993448 [0,2,0,0,0,1|1,0,0]=4 18867 B13R1.885 CC(=O)Cc1c(ccc(c1F)C)Cl 1458a_100000035286_200000210301 [0,2,0,0,0,1|0,0,0]=3 18868 B13R1.885 CC(=O)Cc1c(ccc(c1F)C)Cl 1458a_100000070787_100009813557 [0,2,0,0,0,1|0,0,0]=3 18869 B13R1.885 CC(=O)Cc1c(ccc(c1F)C)F 1458a_100000070787_100011217880 [0,2,0,0,0,1|0,0,0]=3 18870 B13R1.885 CC(=O)Cc1c(ccc(c1F)C)F 1458a_100011218906_200000210301 [0,2,0,0,0,1|0,0,0]=3 18871 B13R1.885 CC(=O)Cc1c(ccc(c1F)Cl)Br 1458a_100000070787_100011071994 [0,2,0,0,0,1|1,0,0]=4 18872 B13R1.885 CC(=O)Cc1c(ccc(c1F)Cl)Cl 1458a_100000070787_100009814555 [0,2,0,0,0,1|1,0,0]=4 18873 B13R1.885 CC(=O)Cc1c(ccc(c1F)Cl)F 1458a_100000038211_200000210301 [0,2,0,0,0,1|1,0,0]=4 18874 B13R1.885 CC(=O)Cc1c(ccc(c1F)Cl)F 1458a_100000070787_100009813610 [0,2,0,0,0,1|1,0,0]=4 18875 B13R1.885 CC(=O)Cc1c(ccc(c1F)F)Br 1458a_100000070787_100011070584 [0,2,0,0,0,1|1,0,0]=4 18876 B13R1.885 CC(=O)Cc1c(ccc(c1F)F)Br 1458a_100010177769_200000210301 [0,2,0,0,0,1|1,0,0]=4 18877 B13R1.885 CC(=O)Cc1c(ccc(c1F)F)Cl 1458a_100000070787_100010381632 [0,2,0,0,0,1|1,0,0]=4 18878 B13R1.885 CC(=O)Cc1c(ccc(c1F)F)F 1458a_100000042514_200000210301 [0,2,0,0,0,1|1,0,0]=4 18879 B13R1.885 CC(=O)Cc1c(ccc(c1F)F)F 1458a_100000070787_100009813269 [0,2,0,0,0,1|1,0,0]=4 18880 B13R1.885 CC(=O)Nc1c(ccc(c1Br)F)F 11a_100014094178_100015343762 [0,2,0,0,0,1|1,0,0]=4 18881 B13R1.885 CC(=O)Nc1c(ccc(c1Br)F)F 1626a_100014094178_100015343762 [0,2,0,0,0,1|1,0,0]=4 18882 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)C 11a_200010074581_100015343762 [0,2,0,0,0,1|1,0,0]=4 18883 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)C 1626a_200010074581_100015343762 [0,2,0,0,0,1|1,0,0]=4 18884 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)C 22a_200010074581_100000070787 [0,2,0,0,0,1|1,0,0]=4 18885 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)F 11a_100010588651_100015343762 [0,2,0,0,0,1|1,0,0]=4 18886 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)F 1626a_100010588651_100015343762 [0,2,0,0,0,1|1,0,0]=4 18887 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)O 22a_100013039247_100000070787 [0,2,0,0,0,1|1,0,0]=4 18888 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)O 527a_100013039247_100103153847 [0,2,0,0,0,1|1,0,0]=4 18889 B13R1.885 CC(=O)Nc1c(ccc(c1C)C)C 11a_100000117417_100015343762 [0,2,0,0,0,1|0,0,0]=3 18890 B13R1.885 CC(=O)Nc1c(ccc(c1C)C)C 1626a_100000117417_100015343762 [0,2,0,0,0,1|0,0,0]=3 18891 B13R1.885 CC(=O)Nc1c(ccc(c1C)C)C 22a_100000117417_100000070787 [0,2,0,0,0,1|0,0,0]=3 18892 B13R1.885 CC(=O)Nc1c(ccc(c1C)Cl)C 11a_200020642106_100015343762 [0,2,0,0,0,1|1,0,0]=4 18893 B13R1.885 CC(=O)Nc1c(ccc(c1C)Cl)C 1626a_200020642106_100015343762 [0,2,0,0,0,1|1,0,0]=4 18894 B13R1.885 CC(=O)Nc1c(ccc(c1C)Cl)Cl 11a_100009961198_100015343762 [0,2,0,0,0,1|1,0,0]=4 18895 B13R1.885 CC(=O)Nc1c(ccc(c1C)Cl)Cl 1626a_100009961198_100015343762 [0,2,0,0,0,1|1,0,0]=4 18896 B13R1.885 CC(=O)Nc1c(ccc(c1C)F)Br 11a_100011009917_100015343762 [0,2,0,0,0,1|1,0,0]=4 18897 B13R1.885 CC(=O)Nc1c(ccc(c1C)F)Br 1626a_100011009917_100015343762 [0,2,0,0,0,1|1,0,0]=4 18898 B13R1.885 CC(=O)Nc1c(ccc(c1C)I)C 11a_200010115591_100015343762 [0,2,0,0,0,1|1,0,0]=4 18899 B13R1.885 CC(=O)Nc1c(ccc(c1C)I)C 1626a_200010115591_100015343762 [0,2,0,0,0,1|1,0,0]=4 18900 B13R1.885 CC(=O)Nc1c(ccc(c1C)I)C 22a_200010115591_100000070787 [0,2,0,0,0,1|1,0,0]=4 18901 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)C)Cl 11a_100000210993_100015343762 [0,2,0,0,0,1|0,0,0]=3 18902 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)C)F 11a_106744479701_100015343762 [0,2,0,0,0,1|0,0,0]=3 18903 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)C)F 1626a_106744479701_100015343762 [0,2,0,0,0,1|0,0,0]=3 18904 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)Cl)Cl 11a_103437851083_100015343762 [0,2,0,0,0,1|1,0,0]=4 18905 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)Cl)Cl 1626a_103437851083_100015343762 [0,2,0,0,0,1|1,0,0]=4 18906 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)Cl)F 11a_100000061523_100015343762 [0,2,0,0,0,1|1,0,0]=4 18907 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)Cl)F 1626a_100000061523_100015343762 [0,2,0,0,0,1|1,0,0]=4 18908 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)F)F 11a_100000062006_100015343762 [0,2,0,0,0,1|1,0,0]=4 18909 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)F)F 1626a_100000062006_100015343762 [0,2,0,0,0,1|1,0,0]=4 18910 B13R1.885 CC(=O)Nc1c(ccc(c1F)Br)Cl 11a_100010995236_100015343762 [0,2,0,0,0,1|1,0,0]=4 18911 B13R1.885 CC(=O)Nc1c(ccc(c1F)Br)Cl 1626a_100010995236_100015343762 [0,2,0,0,0,1|1,0,0]=4 18912 B13R1.885 CC(=O)Nc1c(ccc(c1F)Br)F 11a_100025793129_100015343762 [0,2,0,0,0,1|1,0,0]=4 18913 B13R1.885 CC(=O)Nc1c(ccc(c1F)Br)F 1626a_100025793129_100015343762 [0,2,0,0,0,1|1,0,0]=4 18914 B13R1.885 CC(=O)Nc1c(ccc(c1F)C)Cl 11a_100000062009_100015343762 [0,2,0,0,0,1|0,0,0]=3 18915 B13R1.885 CC(=O)Nc1c(ccc(c1F)C)Cl 1626a_100000062009_100015343762 [0,2,0,0,0,1|0,0,0]=3 18916 B13R1.885 CC(=O)Nc1c(ccc(c1F)C)F 11a_102495364760_100015343762 [0,2,0,0,0,1|0,0,0]=3 18917 B13R1.885 CC(=O)Nc1c(ccc(c1F)C)F 1626a_102495364760_100015343762 [0,2,0,0,0,1|0,0,0]=3 18918 B13R1.885 CC(=O)Nc1c(ccc(c1F)Cl)Br 11a_100011010633_100015343762 [0,2,0,0,0,1|1,0,0]=4 18919 B13R1.885 CC(=O)Nc1c(ccc(c1F)Cl)Br 1626a_100011010633_100015343762 [0,2,0,0,0,1|1,0,0]=4 18920 B13R1.885 CC(=O)Nc1c(ccc(c1F)Cl)Cl 11a_200000061452_100015343762 [0,2,0,0,0,1|1,0,0]=4 18921 B13R1.885 CC(=O)Nc1c(ccc(c1F)Cl)Cl 1626a_200000061452_100015343762 [0,2,0,0,0,1|1,0,0]=4 18922 B13R1.885 CC(=O)Nc1c(ccc(c1F)Cl)F 11a_102495364764_100015343762 [0,2,0,0,0,1|1,0,0]=4 18923 B13R1.885 CC(=O)Nc1c(ccc(c1F)Cl)F 1626a_102495364764_100015343762 [0,2,0,0,0,1|1,0,0]=4 18924 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)Br 11a_100010008850_100015343762 [0,2,0,0,0,1|1,0,0]=4 18925 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)Br 1626a_100010008850_100015343762 [0,2,0,0,0,1|1,0,0]=4 18926 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)Cl 11a_200010381624_100015343762 [0,2,0,0,0,1|1,0,0]=4 18927 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)Cl 1626a_200010381624_100015343762 [0,2,0,0,0,1|1,0,0]=4 18928 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)F 11a_100000037384_100015343762 [0,2,0,0,0,1|1,0,0]=4 18929 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)F 1626a_100000037384_100015343762 [0,2,0,0,0,1|1,0,0]=4 18930 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)I 11a_100015763296_100015343762 [0,2,0,0,0,1|1,0,0]=4 18931 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)I 1626a_100015763296_100015343762 [0,2,0,0,0,1|1,0,0]=4 18932 B13R1.885 CC(=O)Nc1c(ccc(c1O)Br)I 527a_100020748643_100103153847 [0,2,0,0,0,1|1,0,0]=4 18933 B13R1.885 Cc1ccc(c(c1Cl)CC(=O)[13CH3])F 1458a_100000038137_200025704644 [0,2,0,0,0,1|0,0,0]=3 18934 B13R1.885 Cc1ccc(c(c1F)CC(=O)[13CH3])Cl 1458a_100000035286_200025704644 [0,2,0,0,0,1|0,0,0]=3 18935 B13R1.885 Cc1ccc(c(c1F)CC(=O)[13CH3])F 1458a_100011218906_200025704644 [0,2,0,0,0,1|0,0,0]=3 18936 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1Br)F)F 1458a_100016070055_200025704644 [0,2,0,0,0,1|1,0,0]=4 18937 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1Cl)Cl)F 1458a_100000062034_200025704644 [0,2,0,0,0,1|1,0,0]=4 18938 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1Cl)F)F 1458a_100000037411_200025704644 [0,2,0,0,0,1|1,0,0]=4 18939 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1F)Cl)F 1458a_100000038211_200025704644 [0,2,0,0,0,1|1,0,0]=4 18940 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1F)F)Br 1458a_100010177769_200025704644 [0,2,0,0,0,1|1,0,0]=4 18941 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1F)F)F 1458a_100000042514_200025704644 [0,2,0,0,0,1|1,0,0]=4 18942 B13R1.897 CC(=C(C)c1cc(ccc1Br)C)C 271570a_200000049429_100012353751 [0,2,0,0,0,1|1,0,0]=4 18943 B13R1.897 CC(=C(C)c1cc(ccc1C)C)C 271570a_200000049429_100000210833 [0,2,0,0,0,1|1,0,0]=4 18944 B13R1.897 CC(=C(C)c1cc(ccc1Cl)C)C 271570a_200000049429_100012356289 [0,2,0,0,0,1|1,0,0]=4 18945 B13R1.897 CC(=C(C)c1cc(ccc1F)C)C 271570a_200000049429_100000736223 [0,2,0,0,0,1|1,0,0]=4 18946 B13R1.897 CC(=C(C)c1cc(ccc1N)C)C 271570a_200000049429_100000210942 [0,2,0,0,0,1|1,0,0]=4 18947 B13R1.897 CC(=C(C)c1cc(ccc1O)C)C 271570a_200000049429_100000765521 [0,2,0,0,0,1|1,0,0]=4 18948 B13R1.897 CC(=O)C(O)c1cc(ccc1C)C 1458a_100011497465_200000210301 [0,2,0,0,0,1|0,0,0]=3 18949 B13R1.897 CC(=O)C(O)c1cc(ccc1F)F 1458a_200011216140_200000210301 [0,2,0,0,0,1|1,0,0]=4 18950 B13R1.897 CC(=O)N(C)c1cc(ccc1Br)Cl 11a_100020633006_100015343762 [0,2,0,0,0,1|1,0,0]=4 18951 B13R1.897 CC(=O)N(C)c1cc(ccc1Br)Cl 1626a_100020633006_100015343762 [0,2,0,0,0,1|1,0,0]=4 18952 B13R1.897 CC(=O)N(C)c1cc(ccc1Br)F 11a_100020633008_100015343762 [0,2,0,0,0,1|1,0,0]=4 18953 B13R1.897 CC(=O)N(C)c1cc(ccc1Br)F 1626a_100020633008_100015343762 [0,2,0,0,0,1|1,0,0]=4 18954 B13R1.897 CC(=O)N(C)c1cc(ccc1C)Br 11a_100020629602_100015343762 [0,2,0,0,0,1|1,0,0]=4 18955 B13R1.897 CC(=O)N(C)c1cc(ccc1C)Br 1626a_100020629602_100015343762 [0,2,0,0,0,1|1,0,0]=4 18956 B13R1.897 CC(=O)N(C)c1cc(ccc1C)Br 527a_100020629602_100103153847 [0,2,0,0,0,1|1,0,0]=4 18957 B13R1.897 CC(=O)N(C)c1cc(ccc1C)Cl 11a_100000221440_100015343762 [0,2,0,0,0,1|1,0,0]=4 18958 B13R1.897 CC(=O)N(C)c1cc(ccc1C)Cl 1626a_100000221440_100015343762 [0,2,0,0,0,1|1,0,0]=4 18959 B13R1.897 CC(=O)N(C)c1cc(ccc1C)F 11a_114849113390_100015343762 [0,2,0,0,0,1|1,0,0]=4 18960 B13R1.897 CC(=O)N(C)c1cc(ccc1C)F 1626a_114849113390_100015343762 [0,2,0,0,0,1|1,0,0]=4 18961 B13R1.897 CC(=O)N(C)c1cc(ccc1Cl)Br 11a_100011772073_100015343762 [0,2,0,0,0,1|1,0,0]=4 18962 B13R1.897 CC(=O)N(C)c1cc(ccc1Cl)Br 1626a_100011772073_100015343762 [0,2,0,0,0,1|1,0,0]=4 18963 B13R1.897 CC(=O)N(C)c1cc(ccc1Cl)Cl 11a_100000742562_100015343762 [0,2,0,0,0,1|1,0,0]=4 18964 B13R1.897 CC(=O)N(C)c1cc(ccc1Cl)Cl 1626a_100000742562_100015343762 [0,2,0,0,0,1|1,0,0]=4 18965 B13R1.897 CC(=O)N(C)c1cc(ccc1F)Br 11a_100011314990_100015343762 [0,2,0,0,0,1|1,0,0]=4 18966 B13R1.897 CC(=O)N(C)c1cc(ccc1F)Br 1626a_100011314990_100015343762 [0,2,0,0,0,1|1,0,0]=4 18967 B13R1.897 Cc1ccc(c(c1)C(O)C(=O)[13CH3])C 1458a_100011497465_200025704644 [0,2,0,0,0,1|0,0,0]=3 18968 B13R1.897 [13CH3]C(=O)C(O)c1cc(ccc1F)F 1458a_200011216140_200025704644 [0,2,0,0,0,1|1,0,0]=4 18969 B13R1.3089 C=Cc1ccc(cc1NC(=O)C)C 271570a_100011290941_100000182586 [0,2,0,0,0,1|0,0,0]=3 18970 B13R1.3089 C=Cc1ccc(cc1NC(=O)C)F 271570a_100011290941_100012558231 [0,2,0,0,0,1|1,0,0]=4 18971 B13R1.3089 C=Cc1ccc(cc1OC(=O)C)F 271570a_100011290941_200015685721 [0,2,0,0,0,1|1,0,0]=4 18972 B13R1.3089 CC(=Cc1cc(ccc1C#N)C)C 271570a_100102525489_100000693804 [0,2,0,0,0,1|1,0,0]=4 18973 B13R1.3089 CC(=Cc1cc(ccc1C=O)C)C 271570a_100102525489_100000692596 [0,2,0,0,0,1|1,0,0]=4 18974 B13R1.3089 CC(=Cc1cc(ccc1NN)C)C 271570a_100102525489_100016996181 [0,2,0,0,0,1|1,0,0]=4 18975 B13R1.3089 CC(=O)Cc1cc(ccc1C#N)Br 1458a_100000070787_100000718229 [0,2,0,0,0,1|1,0,0]=4 18976 B13R1.3089 CC(=O)Cc1cc(ccc1C#N)F 1458a_100000070787_100000759424 [0,2,0,0,0,1|1,0,0]=4 18977 B13R1.3089 CC(=O)Cc1cc(ccc1C=O)F 1458a_100000070787_100010132768 [0,2,0,0,0,1|1,0,0]=4 18978 B13R1.3089 CC(=O)Cc1cc(ccc1O[13CH3])Br 34a_200010006938_200025704644 [0,2,0,0,0,1|1,0,0]=4 18979 B13R1.3089 CC(=O)Cc1cc(ccc1O[13CH3])Br 7a_200010006938_200025704644 [0,2,0,0,0,1|1,0,0]=4 18980 B13R1.3089 CC(=O)Nc1cc(ccc1C#N)Br 1626a_100000699244_100015343762 [0,2,0,0,0,1|1,0,0]=4 18981 B13R1.3089 CC(=O)Nc1cc(ccc1C#N)C 11a_100011218341_100015343762 [0,2,0,0,0,1|0,0,0]=3 18982 B13R1.3089 CC(=O)Nc1cc(ccc1C#N)C 1626a_100011218341_100015343762 [0,2,0,0,0,1|0,0,0]=3 18983 B13R1.3089 CC(=O)Nc1cc(ccc1C#N)Cl 11a_100000211392_100015343762 [0,2,0,0,0,1|1,0,0]=4 18984 B13R1.3089 CC(=O)Nc1cc(ccc1C#N)Cl 1626a_100000211392_100015343762 [0,2,0,0,0,1|1,0,0]=4 18985 B13R1.3089 CC(=O)Nc1cc(ccc1C#N)F 11a_100011935279_100015343762 [0,2,0,0,0,1|1,0,0]=4 18986 B13R1.3089 CC(=O)Nc1cc(ccc1C#N)F 1626a_100011935279_100015343762 [0,2,0,0,0,1|1,0,0]=4 18987 B13R1.3089 CC(=O)Nc1cc(ccc1CO)C 22a_100000087799_100000070787 [0,2,0,0,0,1|0,0,0]=3 18988 B13R1.3089 CC(=O)Nc1cc(ccc1N[13CH3])Cl 34a_100000749253_200025704644 [0,2,0,0,0,1|1,0,0]=4 18989 B13R1.3089 CC(=O)Nc1cc(ccc1N[13CH3])Cl 7a_100000749253_200025704644 [0,2,0,0,0,1|1,0,0]=4 18990 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])C 34a_100000035807_200025704644 [0,2,0,0,0,1|0,0,0]=3 18991 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])C 7a_100000035807_200025704644 [0,2,0,0,0,1|0,0,0]=3 18992 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])Cl 34a_100000012038_200025704644 [0,2,0,0,0,1|1,0,0]=4 18993 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])Cl 7a_100000012038_200025704644 [0,2,0,0,0,1|1,0,0]=4 18994 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])N 34a_100000070259_200025704644 [0,2,0,0,0,1|1,0,0]=4 18995 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])N 7a_100000070259_200025704644 [0,2,0,0,0,1|1,0,0]=4 18996 B13R1.3089 CC(=O)Nc1cc(ccc1S[13CH3])C 62a_200025704644_100000182586 [0,2,0,0,0,1|0,0,0]=3 18997 B13R1.3089 CC(=O)Nc1cc(ccc1S[13CH3])F 62a_200025704644_100012558231 [0,2,0,0,0,1|1,0,0]=4 18998 B13R1.3089 CC(=O)Oc1cc(ccc1S[13CH3])F 62a_200015685721_200025704644 [0,2,0,0,0,1|1,0,0]=4 18999 B13R1.3089 CC(=O)Oc1cc(ccc1S[13CH3])F 62a_200025704644_200015685721 [0,2,0,0,0,1|1,0,0]=4 19000 B13R1.3089 CCc1ccc(cc1NC(=O)C)Br 11a_100012354963_100015343762 [0,2,0,0,0,1|1,0,0]=4 19001 B13R1.3089 CCc1ccc(cc1NC(=O)C)Br 1626a_100012354963_100015343762 [0,2,0,0,0,1|1,0,0]=4 19002 B13R1.3089 CCc1ccc(cc1NC(=O)C)Br 22a_100012354963_100000070787 [0,2,0,0,0,1|1,0,0]=4 19003 B13R1.3089 CCc1ccc(cc1NC(=O)C)Br 527a_100012354963_100103153847 [0,2,0,0,0,1|1,0,0]=4 19004 B13R1.3089 CCc1ccc(cc1NC(=O)C)Cl 11a_200012281948_100015343762 [0,2,0,0,0,1|1,0,0]=4 19005 B13R1.3089 CCc1ccc(cc1NC(=O)C)Cl 1626a_200012281948_100015343762 [0,2,0,0,0,1|1,0,0]=4 19006 B13R1.3089 CCc1ccc(cc1NC(=O)C)Cl 22a_200012281948_100000070787 [0,2,0,0,0,1|1,0,0]=4 19007 B13R1.3089 CCc1ccc(cc1NC(=O)C)Cl 527a_200012281948_100103153847 [0,2,0,0,0,1|1,0,0]=4 19008 B13R1.3089 CNc1ccc(cc1C=C(C)C)C 271570a_100102525489_100000221369 [0,2,0,0,0,1|1,0,0]=4 19009 B13R1.3089 CNc1ccc(cc1NC(=O)C)Cl 34a_100000749253_200000210301 [0,2,0,0,0,1|1,0,0]=4 19010 B13R1.3089 CNc1ccc(cc1NC(=O)C)Cl 7a_100000749253_200000210301 [0,2,0,0,0,1|1,0,0]=4 19011 B13R1.3089 COc1ccc(cc1C=C(C)C)C 271570a_100102525489_100000186399 [0,2,0,0,0,1|1,0,0]=4 19012 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 1458a_100000070787_100000204665 [0,2,0,0,0,1|1,0,0]=4 19013 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 1458a_100000763194_200000210301 [0,2,0,0,0,1|1,0,0]=4 19014 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 34a_200010006938_200000210301 [0,2,0,0,0,1|1,0,0]=4 19015 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 7a_200010006938_200000210301 [0,2,0,0,0,1|1,0,0]=4 19016 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000070787_100000199068 [0,2,0,0,0,1|0,0,0]=3 19017 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000204598_200000210301 [0,2,0,0,0,1|0,0,0]=3 19018 B13R1.3089 COc1ccc(cc1CC(=O)C)Cl 1458a_100000070787_100000209806 [0,2,0,0,0,1|1,0,0]=4 19019 B13R1.3089 COc1ccc(cc1CC(=O)C)Cl 1458a_100000209874_200000210301 [0,2,0,0,0,1|1,0,0]=4 19020 B13R1.3089 COc1ccc(cc1CC(=O)C)F 1458a_100000070787_100011830354 [0,2,0,0,0,1|1,0,0]=4 19021 B13R1.3089 COc1ccc(cc1CC(=O)C)F 1458a_100000707523_200000210301 [0,2,0,0,0,1|1,0,0]=4 19022 B13R1.3089 COc1ccc(cc1CC(=O)C)O 271570a_203496583355_200011493461 [0,2,0,0,0,1|1,0,0]=4 19023 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])Br 1458a_100000763194_200025704644 [0,2,0,0,0,1|1,0,0]=4 19024 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])C 1458a_100000204598_200025704644 [0,2,0,0,0,1|0,0,0]=3 19025 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])Cl 1458a_100000209874_200025704644 [0,2,0,0,0,1|1,0,0]=4 19026 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])F 1458a_100000707523_200025704644 [0,2,0,0,0,1|1,0,0]=4 19027 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 11a_100000743470_100015343762 [0,2,0,0,0,1|1,0,0]=4 19028 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 1626a_100000743470_100015343762 [0,2,0,0,0,1|1,0,0]=4 19029 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 22a_100000743470_100000070787 [0,2,0,0,0,1|1,0,0]=4 19030 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 527a_100000743470_100103153847 [0,2,0,0,0,1|1,0,0]=4 19031 B13R1.3089 COc1ccc(cc1NC(=O)C)C 11a_100000210980_100015343762 [0,2,0,0,0,1|0,0,0]=3 19032 B13R1.3089 COc1ccc(cc1NC(=O)C)C 1626a_100000210980_100015343762 [0,2,0,0,0,1|0,0,0]=3 19033 B13R1.3089 COc1ccc(cc1NC(=O)C)C 22a_100000210980_100000070787 [0,2,0,0,0,1|0,0,0]=3 19034 B13R1.3089 COc1ccc(cc1NC(=O)C)C 34a_100000035807_200000210301 [0,2,0,0,0,1|0,0,0]=3 19035 B13R1.3089 COc1ccc(cc1NC(=O)C)C 527a_100000210980_100103153847 [0,2,0,0,0,1|0,0,0]=3 19036 B13R1.3089 COc1ccc(cc1NC(=O)C)C 7a_100000035807_200000210301 [0,2,0,0,0,1|0,0,0]=3 19037 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 11a_100000182114_100015343762 [0,2,0,0,0,1|1,0,0]=4 19038 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 1626a_100000182114_100015343762 [0,2,0,0,0,1|1,0,0]=4 19039 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 22a_100000182114_100000070787 [0,2,0,0,0,1|1,0,0]=4 19040 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 34a_100000012038_200000210301 [0,2,0,0,0,1|1,0,0]=4 19041 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 7a_100000012038_200000210301 [0,2,0,0,0,1|1,0,0]=4 19042 B13R1.3089 COc1ccc(cc1NC(=O)C)F 11a_100000757179_100015343762 [0,2,0,0,0,1|1,0,0]=4 19043 B13R1.3089 COc1ccc(cc1NC(=O)C)F 1626a_100000757179_100015343762 [0,2,0,0,0,1|1,0,0]=4 19044 B13R1.3089 COc1ccc(cc1NC(=O)C)F 22a_100000757179_100000070787 [0,2,0,0,0,1|1,0,0]=4 19045 B13R1.3089 COc1ccc(cc1NC(=O)C)F 527a_100000757179_100103153847 [0,2,0,0,0,1|1,0,0]=4 19046 B13R1.3089 COc1ccc(cc1NC(=O)C)I 11a_100011249504_100015343762 [0,2,0,0,0,1|1,0,0]=4 19047 B13R1.3089 COc1ccc(cc1NC(=O)C)I 1626a_100011249504_100015343762 [0,2,0,0,0,1|1,0,0]=4 19048 B13R1.3089 COc1ccc(cc1NC(=O)C)I 22a_100011249504_100000070787 [0,2,0,0,0,1|1,0,0]=4 19049 B13R1.3089 COc1ccc(cc1NC(=O)C)N 34a_100000070259_200000210301 [0,2,0,0,0,1|1,0,0]=4 19050 B13R1.3089 COc1ccc(cc1NC(=O)C)N 7a_100000070259_200000210301 [0,2,0,0,0,1|1,0,0]=4 19051 B13R1.3089 COc1ccc(cc1NC(=O)C)O 271570a_203496583355_200011407902 [0,2,0,0,0,1|1,0,0]=4 19052 B13R1.3089 COc1ccc(cc1OC(=O)C)O 271570a_203496583355_200011016479 [0,2,0,0,0,1|1,0,0]=4 19053 B13R1.3089 CSc1ccc(cc1C=C(C)C)C 271570a_100102525489_200010201864 [0,2,0,0,0,1|1,0,0]=4 19054 B13R1.3089 CSc1ccc(cc1NC(=O)C)C 62a_200000210301_100000182586 [0,2,0,0,0,1|0,0,0]=3 19055 B13R1.3089 CSc1ccc(cc1NC(=O)C)Cl 11a_100000745667_100015343762 [0,2,0,0,0,1|1,0,0]=4 19056 B13R1.3089 CSc1ccc(cc1NC(=O)C)Cl 1626a_100000745667_100015343762 [0,2,0,0,0,1|1,0,0]=4 19057 B13R1.3089 CSc1ccc(cc1NC(=O)C)Cl 22a_100000745667_100000070787 [0,2,0,0,0,1|1,0,0]=4 19058 B13R1.3089 CSc1ccc(cc1NC(=O)C)F 62a_200000210301_100012558231 [0,2,0,0,0,1|1,0,0]=4 19059 B13R1.3089 CSc1ccc(cc1OC(=O)C)F 62a_200000210301_200015685721 [0,2,0,0,0,1|1,0,0]=4 19060 B13R1.3089 CSc1ccc(cc1OC(=O)C)F 62a_200015685721_200000210301 [0,2,0,0,0,1|1,0,0]=4 19061 B13R1.115 C=Cc1c(cccc1CC(=O)N)C 271570a_100011290941_100011096275 [0,2,0,0,0,1|1,0,0]=4 19062 B13R1.115 CC(=Cc1cccc(c1C#N)C)C 271570a_100102525489_100009819585 [0,2,0,0,0,1|1,0,0]=4 19063 B13R1.115 CC(=Cc1cccc(c1C=O)C)C 271570a_100102525489_100000041122 [0,2,0,0,0,1|1,0,0]=4 19064 B13R1.115 CC(=O)Cc1cccc(c1C#N)Br 1458a_100000070787_200010145453 [0,2,0,0,0,1|1,0,0]=4 19065 B13R1.115 CC(=O)Cc1cccc(c1C#N)F 1458a_100000070787_100000707650 [0,2,0,0,0,1|1,0,0]=4 19066 B13R1.115 CC(=O)Nc1cccc(c1C#N)Br 11a_100011935054_100015343762 [0,2,0,0,0,1|1,0,0]=4 19067 B13R1.115 CC(=O)Nc1cccc(c1C#N)Br 1626a_100011935054_100015343762 [0,2,0,0,0,1|1,0,0]=4 19068 B13R1.115 CC(=O)Nc1cccc(c1C#N)C 11a_100000763283_100015343762 [0,2,0,0,0,1|0,0,0]=3 19069 B13R1.115 CC(=O)Nc1cccc(c1C#N)C 1626a_100000763283_100015343762 [0,2,0,0,0,1|0,0,0]=3 19070 B13R1.115 CC(=O)Nc1cccc(c1C#N)Cl 11a_100000236969_100015343762 [0,2,0,0,0,1|1,0,0]=4 19071 B13R1.115 CC(=O)Nc1cccc(c1C#N)Cl 1626a_100000236969_100015343762 [0,2,0,0,0,1|1,0,0]=4 19072 B13R1.115 CC(=O)Nc1cccc(c1C#N)F 11a_100000236971_100015343762 [0,2,0,0,0,1|1,0,0]=4 19073 B13R1.115 CC(=O)Nc1cccc(c1C#N)F 1626a_100000236971_100015343762 [0,2,0,0,0,1|1,0,0]=4 19074 B13R1.115 CC(=O)Nc1cccc(c1CO)Br 527a_100000747656_100103153847 [0,2,0,0,0,1|1,0,0]=4 19075 B13R1.115 CC(=O)Nc1cccc(c1CO)F 22a_100011846719_100000070787 [0,2,0,0,0,1|1,0,0]=4 19076 B13R1.115 COc1c(cccc1C=C(C)C)C 271570a_100102525489_100010141385 [0,2,0,0,0,1|1,0,0]=4 19077 B13R1.115 COc1c(cccc1CC(=O)C)Br 1458a_100000070787_100011470457 [0,2,0,0,0,1|1,0,0]=4 19078 B13R1.115 COc1c(cccc1CC(=O)C)C 1458a_100000070787_100012349798 [0,2,0,0,0,1|0,0,0]=3 19079 B13R1.115 COc1c(cccc1CC(=O)C)F 1458a_100000061543_200000210301 [0,2,0,0,0,1|1,0,0]=4 19080 B13R1.115 COc1c(cccc1CC(=O)[13CH3])F 1458a_100000061543_200025704644 [0,2,0,0,0,1|1,0,0]=4 19081 B13R1.115 COc1c(cccc1NC(=O)C)Br 11a_100011935253_100015343762 [0,2,0,0,0,1|1,0,0]=4 19082 B13R1.115 COc1c(cccc1NC(=O)C)Br 1626a_100011935253_100015343762 [0,2,0,0,0,1|1,0,0]=4 19083 B13R1.115 COc1c(cccc1NC(=O)C)Br 22a_100011935253_100000070787 [0,2,0,0,0,1|1,0,0]=4 19084 B13R1.115 COc1c(cccc1NC(=O)C)Br 527a_100011935253_100103153847 [0,2,0,0,0,1|1,0,0]=4 19085 B13R1.115 COc1c(cccc1NC(=O)C)C 11a_100012017360_100015343762 [0,2,0,0,0,1|0,0,0]=3 19086 B13R1.115 COc1c(cccc1NC(=O)C)C 1626a_100012017360_100015343762 [0,2,0,0,0,1|0,0,0]=3 19087 B13R1.115 COc1c(cccc1NC(=O)C)C 22a_100012017360_100000070787 [0,2,0,0,0,1|0,0,0]=3 19088 B13R1.115 COc1c(cccc1NC(=O)C)C 527a_100012017360_100103153847 [0,2,0,0,0,1|0,0,0]=3 19089 B13R1.115 COc1c(cccc1NC(=O)C)Cl 11a_100000743799_100015343762 [0,2,0,0,0,1|1,0,0]=4 19090 B13R1.115 COc1c(cccc1NC(=O)C)Cl 1626a_100000743799_100015343762 [0,2,0,0,0,1|1,0,0]=4 19091 B13R1.115 COc1c(cccc1NC(=O)C)Cl 22a_100000743799_100000070787 [0,2,0,0,0,1|1,0,0]=4 19092 B13R1.115 COc1c(cccc1NC(=O)C)Cl 527a_100000743799_100103153847 [0,2,0,0,0,1|1,0,0]=4 19093 B13R1.115 COc1c(cccc1NC(=O)C)F 11a_100011215007_100015343762 [0,2,0,0,0,1|1,0,0]=4 19094 B13R1.115 COc1c(cccc1NC(=O)C)F 1626a_100011215007_100015343762 [0,2,0,0,0,1|1,0,0]=4 19095 B13R1.115 COc1c(cccc1NC(=O)C)F 22a_100011215007_100000070787 [0,2,0,0,0,1|1,0,0]=4 19096 B13R1.115 COc1c(cccc1NC(=O)C)F 527a_100011215007_100103153847 [0,2,0,0,0,1|1,0,0]=4 19097 B13R1.115 CSc1c(cccc1CC(=O)N)C 62a_100011096275_200000210301 [0,2,0,0,0,1|1,0,0]=4 19098 B13R1.115 CSc1c(cccc1CC(=O)N)C 62a_200000210301_100011096275 [0,2,0,0,0,1|1,0,0]=4 19099 B13R1.115 Cc1cccc(c1S[13CH3])CC(=O)N 62a_100011096275_200025704644 [0,2,0,0,0,1|1,0,0]=4 19100 B13R1.115 Cc1cccc(c1S[13CH3])CC(=O)N 62a_200025704644_100011096275 [0,2,0,0,0,1|1,0,0]=4 19101 B13R1.641 CC(=Cc1cccc(c1Br)CO)C 271570a_100102525489_100010240205 [0,2,0,0,0,1|1,0,0]=4 19102 B13R1.641 CC(=Cc1cccc(c1C)CN)C 271570a_100102525489_100000724210 [0,2,0,0,0,1|1,0,0]=4 19103 B13R1.641 CC(=Cc1cccc(c1C)CO)C 271570a_100102525489_100000694458 [0,2,0,0,0,1|1,0,0]=4 19104 B13R1.641 CC(=Cc1cccc(c1F)CN)C 271570a_100102525489_100015189953 [0,2,0,0,0,1|1,0,0]=4 19105 B13R1.641 CC(=Cc1cccc(c1F)CO)C 271570a_100102525489_100011935076 [0,2,0,0,0,1|1,0,0]=4 19106 B13R1.641 CC(=Cc1cccc(c1N)CO)C 271570a_100102525489_100012349457 [0,2,0,0,0,1|1,0,0]=4 19107 B13R1.641 CC(=O)Cc1cccc(c1Br)C#N 1458a_100000070787_100010145452 [0,2,0,0,0,1|0,0,1]=4 19108 B13R1.641 CC(=O)Cc1cccc(c1Cl)C#N 1458a_100000070787_100010147161 [0,2,0,0,0,1|0,0,1]=4 19109 B13R1.641 CC(=O)Cc1cccc(c1F)C#N 1458a_100000070787_100000695645 [0,2,0,0,0,1|0,0,1]=4 19110 B13R1.641 CC(=O)Nc1cccc(c1Br)C#N 11a_100009877206_100015343762 [0,2,0,0,0,1|0,0,1]=4 19111 B13R1.641 CC(=O)Nc1cccc(c1Br)C#N 1626a_100009877206_100015343762 [0,2,0,0,0,1|0,0,1]=4 19112 B13R1.641 CC(=O)Nc1cccc(c1C)CO 22a_102495339961_100000070787 [0,2,0,0,0,1|0,0,0]=3 19113 B13R1.641 CC(=O)Nc1cccc(c1C)CO 527a_102495339961_100103153847 [0,2,0,0,0,1|0,0,0]=3 19114 B13R1.641 CC(=O)Nc1cccc(c1C)N[13CH3] 34a_100000736503_200025704644 [0,2,0,0,0,1|0,0,0]=3 19115 B13R1.641 CC(=O)Nc1cccc(c1C)N[13CH3] 7a_100000736503_200025704644 [0,2,0,0,0,1|0,0,0]=3 19116 B13R1.641 CC(=O)Nc1cccc(c1Cl)C#N 11a_100012184300_100015343762 [0,2,0,0,0,1|0,0,1]=4 19117 B13R1.641 CC(=O)Nc1cccc(c1Cl)C#N 1626a_100012184300_100015343762 [0,2,0,0,0,1|0,0,1]=4 19118 B13R1.641 CC(=O)Nc1cccc(c1F)C#N 11a_100000087142_100015343762 [0,2,0,0,0,1|0,0,1]=4 19119 B13R1.641 CC(=O)Nc1cccc(c1F)C#N 1626a_100000087142_100015343762 [0,2,0,0,0,1|0,0,1]=4 19120 B13R1.641 CC(=O)Nc1cccc(c1F)C#N 22a_100000087142_100000070787 [0,2,0,0,0,1|0,0,1]=4 19121 B13R1.641 CC(=O)Nc1cccc(c1F)C#N 527a_100000087142_100103153847 [0,2,0,0,0,1|0,0,1]=4 19122 B13R1.641 CC(=O)Nc1cccc(c1I)C#N 11a_200010145139_100015343762 [0,2,0,0,0,1|0,0,1]=4 19123 B13R1.641 CC(=O)Nc1cccc(c1I)C#N 1626a_200010145139_100015343762 [0,2,0,0,0,1|0,0,1]=4 19124 B13R1.641 CCc1cccc(c1O)C=C(C)C 271570a_100102525489_200010001580 [0,2,0,0,0,1|1,0,0]=4 19125 B13R1.641 CNc1cccc(c1C)NC(=O)C 34a_100000736503_200000210301 [0,2,0,0,0,1|0,0,0]=3 19126 B13R1.641 CNc1cccc(c1C)NC(=O)C 7a_100000736503_200000210301 [0,2,0,0,0,1|0,0,0]=3 19127 B13R1.641 CNc1cccc(c1N)C=C(C)C 271570a_100102525489_100000695761 [0,2,0,0,0,1|1,0,0]=4 19128 B13R1.641 COc1cccc(c1Br)NC(=O)C 11a_100000703447_100015343762 [0,2,0,0,0,1|0,0,0]=3 19129 B13R1.641 COc1cccc(c1Br)NC(=O)C 1626a_100000703447_100015343762 [0,2,0,0,0,1|0,0,0]=3 19130 B13R1.641 COc1cccc(c1Br)NC(=O)C 22a_100000703447_100000070787 [0,2,0,0,0,1|0,0,0]=3 19131 B13R1.641 COc1cccc(c1Br)NC(=O)C 527a_100000703447_100103153847 [0,2,0,0,0,1|0,0,0]=3 19132 B13R1.641 COc1cccc(c1C)C=C(C)C 271570a_100102525489_100010002647 [0,2,0,0,0,1|1,0,0]=4 19133 B13R1.641 COc1cccc(c1C)CC(=O)C 1458a_100000070787_100009876938 [0,2,0,0,0,1|0,0,0]=3 19134 B13R1.641 COc1cccc(c1C)NC(=O)C 11a_100011244893_100015343762 [0,2,0,0,0,1|0,0,0]=3 19135 B13R1.641 COc1cccc(c1C)NC(=O)C 1626a_100011244893_100015343762 [0,2,0,0,0,1|0,0,0]=3 19136 B13R1.641 COc1cccc(c1C)NC(=O)C 22a_100011244893_100000070787 [0,2,0,0,0,1|0,0,0]=3 19137 B13R1.641 COc1cccc(c1C)NC(=O)C 527a_100011244893_100103153847 [0,2,0,0,0,1|0,0,0]=3 19138 B13R1.641 COc1cccc(c1Cl)C=C(C)C 271570a_100102525489_100010147677 [0,2,0,0,0,1|1,0,0]=4 19139 B13R1.641 COc1cccc(c1Cl)CC(=O)C 1458a_100000070787_200010147866 [0,2,0,0,0,1|0,0,0]=3 19140 B13R1.641 COc1cccc(c1Cl)NC(=O)C 11a_100000089720_100015343762 [0,2,0,0,0,1|0,0,0]=3 19141 B13R1.641 COc1cccc(c1Cl)NC(=O)C 1626a_100000089720_100015343762 [0,2,0,0,0,1|0,0,0]=3 19142 B13R1.641 COc1cccc(c1Cl)NC(=O)C 22a_100000089720_100000070787 [0,2,0,0,0,1|0,0,0]=3 19143 B13R1.641 COc1cccc(c1Cl)NC(=O)C 527a_100000089720_100103153847 [0,2,0,0,0,1|0,0,0]=3 19144 B13R1.641 COc1cccc(c1F)C=C(C)C 271570a_100102525489_100010185846 [0,2,0,0,0,1|1,0,0]=4 19145 B13R1.641 COc1cccc(c1F)CC(=O)C 1458a_100000070787_100011260763 [0,2,0,0,0,1|0,0,0]=3 19146 B13R1.641 COc1cccc(c1F)CC(=O)C 1458a_100000698549_200000210301 [0,2,0,0,0,1|0,0,0]=3 19147 B13R1.641 COc1cccc(c1F)CC(=O)[13CH3] 1458a_100000698549_200025704644 [0,2,0,0,0,1|0,0,0]=3 19148 B13R1.641 COc1cccc(c1F)NC(=O)C 11a_100000100910_100015343762 [0,2,0,0,0,1|0,0,0]=3 19149 B13R1.641 COc1cccc(c1F)NC(=O)C 1626a_100000100910_100015343762 [0,2,0,0,0,1|0,0,0]=3 19150 B13R1.641 COc1cccc(c1F)NC(=O)C 22a_100000100910_100000070787 [0,2,0,0,0,1|0,0,0]=3 19151 B13R1.641 COc1cccc(c1F)NC(=O)C 527a_100000100910_100103153847 [0,2,0,0,0,1|0,0,0]=3 19152 B13R1.641 COc1cccc(c1I)NC(=O)C 11a_100010245509_100015343762 [0,2,0,0,0,1|0,0,0]=3 19153 B13R1.641 COc1cccc(c1I)NC(=O)C 1626a_100010245509_100015343762 [0,2,0,0,0,1|0,0,0]=3 19154 B13R1.641 COc1cccc(c1N)C=C(C)C 271570a_100102525489_100000708083 [0,2,0,0,0,1|1,0,0]=4 19155 B13R1.641 COc1cccc(c1O)C=C(C)C 271570a_100102525489_100000686866 [0,2,0,0,0,1|1,0,0]=4 19156 B13R1.641 COc1cccc(c1O)NC(=O)C 22a_100000123586_100000070787 [0,2,0,0,0,1|0,0,0]=3 19157 B13R1.641 COc1cccc(c1O)NC(=O)C 527a_100000123586_100103153847 [0,2,0,0,0,1|0,0,0]=3 19158 B13R1.641 COc1ccnc(c1C)CC(=O)C 1458a_100000070787_100016994983 [0,2,0,0,0,1|1,0,0]=4 19159 B13R1.3768 CC(=C(C)c1cccc(c1C)C)C 271570a_200000049429_100011214922 [0,2,0,0,0,1|1,0,0]=4 19160 B13R1.3768 CC(=C(C)c1cccc(c1Cl)C)C 271570a_200000049429_200012352035 [0,2,0,0,0,1|1,0,0]=4 19161 B13R1.3768 CC(=C(C)c1cccc(c1F)C)C 271570a_200000049429_100000717567 [0,2,0,0,0,1|1,0,0]=4 19162 B13R1.3768 CC(=C(C)c1cccc(c1N)C)C 271570a_200000049429_100011834072 [0,2,0,0,0,1|1,0,0]=4 19163 B13R1.3768 CC(=C(C)c1cccc(c1O)C)C 271570a_200000049429_100009817157 [0,2,0,0,0,1|1,0,0]=4 19164 B13R1.3768 CC(=O)C(C)c1cccc(c1C)C 1458a_100000070787_100012183177 [0,2,0,0,0,1|0,0,0]=3 19165 B13R1.3768 CC(=O)C(O)c1cccc(c1F)F 1458a_200011215923_200000210301 [0,2,0,0,0,1|1,0,0]=4 19166 B13R1.3768 CC(=O)N(C)c1cccc(c1C)Cl 11a_100020606106_100015343762 [0,2,0,0,0,1|1,0,0]=4 19167 B13R1.3768 CC(=O)N(C)c1cccc(c1C)Cl 1626a_100020606106_100015343762 [0,2,0,0,0,1|1,0,0]=4 19168 B13R1.3768 CC(=O)N(C)c1cccc(c1C)Cl 22a_100020606106_100000070787 [0,2,0,0,0,1|1,0,0]=4 19169 B13R1.3768 CC(=O)N(C)c1cccc(c1Cl)Cl 11a_100000742713_100015343762 [0,2,0,0,0,1|1,0,0]=4 19170 B13R1.3768 CC(=O)N(C)c1cccc(c1Cl)Cl 1626a_100000742713_100015343762 [0,2,0,0,0,1|1,0,0]=4 19171 B13R1.3768 CC(=O)N(C)c1cccc(c1F)Cl 11a_100020633735_100015343762 [0,2,0,0,0,1|1,0,0]=4 19172 B13R1.3768 CC(=O)N(C)c1cccc(c1F)Cl 1626a_100020633735_100015343762 [0,2,0,0,0,1|1,0,0]=4 19173 B13R1.3768 [13CH3]C(=O)C(O)c1cccc(c1F)F 1458a_200011215923_200025704644 [0,2,0,0,0,1|1,0,0]=4 19174 B13R1.642 CC(=C(C)c1cccc(c1)CF)C 271570a_200000049429_100010878472 [0,2,0,0,0,1|1,0,0]=4 19175 B13R1.642 CC(=C(C)c1cccc(c1)CN)C 271570a_200000049429_100000106179 [0,2,0,0,0,1|1,0,0]=4 19176 B13R1.642 CC(=C(C)c1cccc(c1)CO)C 271570a_200000049429_100000687537 [0,2,0,0,0,1|1,0,0]=4 19177 B13R1.642 CC(=O)N(C)c1cccc(c1)C#N 11a_100000221292_100015343762 [0,2,0,0,0,1|0,0,1]=4 19178 B13R1.642 CC(=O)N(C)c1cccc(c1)C#N 1626a_100000221292_100015343762 [0,2,0,0,0,1|0,0,1]=4 19179 B13R1.642 CC(=O)N(C)c1cccc(c1)C#N 22a_100000221292_100000070787 [0,2,0,0,0,1|0,0,1]=4 19180 B13R1.642 CC(=O)N(C)c1cccc(c1)C#N 527a_100000221292_100103153847 [0,2,0,0,0,1|0,0,1]=4 19181 B13R1.642 CC(=O)N(C)c1cccc(c1)N[13CH3] 34a_100000765750_200025704644 [0,2,0,0,0,1|0,0,0]=3 19182 B13R1.642 CCc1cccc(c1)C(=C(C)C)C 271570a_200000049429_100000684523 [0,2,0,0,0,1|1,0,0]=4 19183 B13R1.642 CNc1cccc(c1)C(=C(C)C)C 271570a_200000049429_100000219648 [0,2,0,0,0,1|1,0,0]=4 19184 B13R1.642 CNc1cccc(c1)N(C)C(=O)C 34a_100000765750_200000210301 [0,2,0,0,0,1|0,0,0]=3 19185 B13R1.642 COc1cccc(c1)C(=C(C)C)C 271570a_200000049429_100000170001 [0,2,0,0,0,1|1,0,0]=4 19186 B13R1.642 COc1cccc(c1)N(C)C(=O)C 11a_100000219725_100015343762 [0,2,0,0,0,1|0,0,0]=3 19187 B13R1.642 COc1cccc(c1)N(C)C(=O)C 1626a_100000219725_100015343762 [0,2,0,0,0,1|0,0,0]=3 19188 B13R1.642 COc1cccc(c1)N(C)C(=O)C 22a_100000219725_100000070787 [0,2,0,0,0,1|0,0,0]=3 19189 B13R1.642 COc1cccc(c1)N(C)C(=O)C 527a_100000219725_100103153847 [0,2,0,0,0,1|0,0,0]=3 19190 B13R1.642 CSc1cccc(c1)C(=C(C)C)C 271570a_200000049429_100011215954 [0,2,0,0,0,1|1,0,0]=4 19191 B13R1.642 CSc1cccc(c1)N(C)C(=O)C 11a_100020672454_100015343762 [0,2,0,0,0,1|0,0,0]=3 19192 B13R1.642 CSc1cccc(c1)N(C)C(=O)C 22a_100020672454_100000070787 [0,2,0,0,0,1|0,0,0]=3 19193 B13R1.642 CSc1cccc(c1)N(C)C(=O)C 527a_100020672454_100103153847 [0,2,0,0,0,1|0,0,0]=3 19194 B13R1.716 CCN(C(=O)C)c1cccc(c1)Br 11a_100000738899_100015343762 [0,2,0,0,0,1|1,0,0]=4 19195 B13R1.716 CCN(C(=O)C)c1cccc(c1)Br 1626a_100000738899_100015343762 [0,2,0,0,0,1|1,0,0]=4 19196 B13R1.716 CCN(C(=O)C)c1cccc(c1)Br 22a_100000738899_100000070787 [0,2,0,0,0,1|1,0,0]=4 19197 B13R1.716 CCN(C(=O)C)c1cccc(c1)C 11a_100000182157_100015343762 [0,2,0,0,0,1|0,0,0]=3 19198 B13R1.716 CCN(C(=O)C)c1cccc(c1)C 1626a_100000182157_100015343762 [0,2,0,0,0,1|0,0,0]=3 19199 B13R1.716 CCN(C(=O)C)c1cccc(c1)C 22a_100000182157_100000070787 [0,2,0,0,0,1|0,0,0]=3 19200 B13R1.716 CCN(C(=O)C)c1cccc(c1)O 1626a_100000717746_100015343762 [0,2,0,0,0,1|1,0,0]=4 19201 B13R1.716 CNC(C(=O)O)c1cccc(c1)C 269956a_100015207286_200000210301 [0,2,0,0,0,1|1,0,0]=4 19202 B13R1.716 COC(C(=O)C)c1cccc(c1)Cl 1458a_100012350482_200000210301 [0,2,0,0,0,1|1,0,0]=4 19203 B13R1.716 COC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100012350482_200025704644 [0,2,0,0,0,1|1,0,0]=4 19204 B13R1.716 Cc1cccc(c1)C(N[13CH3])C(=O)O 269956a_100015207286_200025704644 [0,2,0,0,0,1|1,0,0]=4 19205 B13R1.3493 CC(=O)C(C)(C)c1cccc(c1)Br 1458a_100000749669_200000210301 [0,2,0,0,0,1|1,0,0]=4 19206 B13R1.3493 CC(=O)C(C)(C)c1cccc(c1)Cl 1458a_100000758063_200000210301 [0,2,0,0,0,1|1,0,0]=4 19207 B13R1.3493 CC(C)(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000749669_200025704644 [0,2,0,0,0,1|1,0,0]=4 19208 B13R1.3493 CC(C)(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000758063_200025704644 [0,2,0,0,0,1|1,0,0]=4 19209 B13R1.373 C=C=Cc1cccc(c1)CC(=O)C 271570a_100015277604_100000689217 [0,2,0,0,0,1|0,0,1]=4 19210 B13R1.373 C=C=Cc1cccc(c1)NC(=O)C 271570a_100015277604_100000153616 [0,2,0,0,0,1|0,0,1]=4 19211 B13R1.373 C=C=Cc1cccc(c1)OC(=O)C 271570a_100015277604_100009811612 [0,2,0,0,0,1|0,0,1]=4 19212 B13R1.373 C=CCc1cccc(c1)C=C(C)C 271570a_100102525489_100009816576 [0,2,0,0,0,1|1,0,0]=4 19213 B13R1.373 CC#Cc1cccc(c1)C=C(C)C 271570a_100102525489_200009843338 [0,2,0,0,0,1|1,0,0]=4 19214 B13R1.373 CC(=Cc1cccc(c1)CC#N)C 271570a_100102525489_100000034040 [0,2,0,0,0,1|1,0,0]=4 19215 B13R1.373 CC(=Cc1cccc(c1)CC=O)C 271570a_100102525489_200000698211 [0,2,0,0,0,1|1,0,0]=4 19216 B13R1.373 CC(=Cc1cccc(c1)CCN)C 271570a_100102525489_100011207229 [0,2,0,0,0,1|1,0,0]=4 19217 B13R1.373 CC(=Cc1cccc(c1)CCO)C 271570a_100102525489_100011217444 [0,2,0,0,0,1|1,0,0]=4 19218 B13R1.373 CC(=Cc1cccc(c1)CNN)C 271570a_100102525489_100000686200 [0,2,0,0,0,1|1,0,0]=4 19219 B13R1.373 CC(=O)Cc1cccc(c1)SCF 62a_100000689217_100015361967 [0,2,0,0,0,1|0,0,0]=3 19220 B13R1.373 CC(=O)Cc1cccc(c1)SCF 62a_100015361967_100000689217 [0,2,0,0,0,1|0,0,0]=3 19221 B13R1.373 CC(=O)Nc1cc(ccn1)SCF 62a_100015361967_100012362434 [0,2,0,0,0,1|1,0,0]=4 19222 B13R1.373 CC(=O)Nc1cccc(c1)CC#N 11a_100000017804_100015343762 [0,2,0,0,0,1|0,0,0]=3 19223 B13R1.373 CC(=O)Nc1cccc(c1)CC#N 1626a_100000017804_100015343762 [0,2,0,0,0,1|0,0,0]=3 19224 B13R1.373 CC(=O)Nc1cccc(c1)CC#N 22a_100000017804_100000070787 [0,2,0,0,0,1|0,0,0]=3 19225 B13R1.373 CC(=O)Nc1cccc(c1)CC#N 527a_100000017804_100103153847 [0,2,0,0,0,1|0,0,0]=3 19226 B13R1.373 CC(=O)Nc1cccc(c1)CCO 22a_100011996697_100000070787 [0,2,0,0,0,1|0,0,0]=3 19227 B13R1.373 CC(=O)Nc1cccc(c1)CCO 527a_100011996697_100103153847 [0,2,0,0,0,1|0,0,0]=3 19228 B13R1.373 CC(=O)Nc1cccc(c1)CN[13CH3] 2230a_100000740035_200025704644 [0,2,0,0,0,1|0,0,0]=3 19229 B13R1.373 CC(=O)Nc1cccc(c1)CN[13CH3] 34a_100000740035_200025704644 [0,2,0,0,0,1|0,0,0]=3 19230 B13R1.373 CC(=O)Nc1cccc(c1)NCF 34a_100000749408_100015361967 [0,2,0,0,0,1|0,0,0]=3 19231 B13R1.373 CC(=O)Nc1cccc(c1)OCF 34a_100000158604_100015361967 [0,2,0,0,0,1|0,0,0]=3 19232 B13R1.373 CC(=O)Nc1cccc(c1)OCF 7a_100000158604_100015361967 [0,2,0,0,0,1|0,0,0]=3 19233 B13R1.373 CC(=O)Nc1cccc(c1)SCF 62a_100015361967_100000153616 [0,2,0,0,0,1|0,0,0]=3 19234 B13R1.373 CC(=O)Nc1cccc(n1)SCF 62a_100015361967_200011307899 [0,2,0,0,0,1|1,0,0]=4 19235 B13R1.373 CC(=O)Nc1ccnc(c1)SCF 62a_100015361967_100000238608 [0,2,0,0,0,1|1,0,0]=4 19236 B13R1.373 CC(=O)Nc1cncc(c1)SCF 62a_100015361967_100012351681 [0,2,0,0,0,1|1,0,0]=4 19237 B13R1.373 CC(=O)Oc1cccc(c1)CS[13CH3] 62a_200009816940_200025704644 [0,2,0,0,0,1|0,0,0]=3 19238 B13R1.373 CC(=O)Oc1cccc(c1)CS[13CH3] 62a_200025704644_200009816940 [0,2,0,0,0,1|0,0,0]=3 19239 B13R1.373 CC(=O)Oc1cccc(c1)OCF 7a_100011218754_100015361967 [0,2,0,0,0,1|0,0,0]=3 19240 B13R1.373 CC(=O)Oc1cccc(c1)SCF 62a_100015361967_100009811612 [0,2,0,0,0,1|0,0,0]=3 19241 B13R1.373 CC=Cc1cc(ccn1)NC(=O)C 271570a_100016259895_100000238608 [0,2,0,0,0,1|1,0,0]=4 19242 B13R1.373 CC=Cc1cccc(c1)CC(=O)C 271570a_100016259895_100000689217 [0,2,0,0,0,1|0,0,0]=3 19243 B13R1.373 CC=Cc1cccc(c1)CC(=O)N 271570a_100016259895_100011586816 [0,2,0,0,0,1|1,0,0]=4 19244 B13R1.373 CC=Cc1cccc(c1)NC(=O)C 271570a_100016259895_100000153616 [0,2,0,0,0,1|0,0,0]=3 19245 B13R1.373 CC=Cc1cccc(c1)NC(=O)N 271570a_100016259895_100000238923 [0,2,0,0,0,1|1,0,0]=4 19246 B13R1.373 CC=Cc1cccc(c1)OC(=O)C 271570a_100016259895_100009811612 [0,2,0,0,0,1|0,0,0]=3 19247 B13R1.373 CC=Cc1cccc(n1)NC(=O)C 271570a_100016259895_200011307899 [0,2,0,0,0,1|1,0,0]=4 19248 B13R1.373 CC=Cc1ccnc(c1)NC(=O)C 271570a_100016259895_100012362434 [0,2,0,0,0,1|1,0,0]=4 19249 B13R1.373 CC=Cc1cncc(c1)NC(=O)C 271570a_100016259895_100012351681 [0,2,0,0,0,1|1,0,0]=4 19250 B13R1.373 CCCc1cccc(c1)C=C(C)C 271570a_100102525489_100000694964 [0,2,0,0,0,1|1,0,0]=4 19251 B13R1.373 CCNc1cccc(c1)C=C(C)C 271570a_100102525489_100000738899 [0,2,0,0,0,1|1,0,0]=4 19252 B13R1.373 CCNc1cccc(c1)CC(=O)N 2230a_200011690101_100000210202 [0,2,0,0,0,1|1,0,0]=4 19253 B13R1.373 CCNc1cccc(c1)CC(=O)N 34a_200011690101_100000210202 [0,2,0,0,0,1|1,0,0]=4 19254 B13R1.373 CCNc1cccc(c1)NC(=O)C 34a_100000749408_100000210202 [0,2,0,0,0,1|0,0,0]=3 19255 B13R1.373 CCNc1cccc(c1)NC(=O)N 34a_100000736001_100000210202 [0,2,0,0,0,1|1,0,0]=4 19256 B13R1.373 CCOc1cccc(c1)C=C(C)C 271570a_100102525489_100000170002 [0,2,0,0,0,1|1,0,0]=4 19257 B13R1.373 CCOc1cccc(c1)CC(=O)C 1458a_100000690747_200000210301 [0,2,0,0,0,1|0,0,0]=3 19258 B13R1.373 CCOc1cccc(c1)CC(=O)N 34a_200000747573_100000210202 [0,2,0,0,0,1|1,0,0]=4 19259 B13R1.373 CCOc1cccc(c1)CC(=O)N 7a_200000747573_100000210202 [0,2,0,0,0,1|1,0,0]=4 19260 B13R1.373 CCOc1cccc(c1)CC(=O)[13CH3] 1458a_100000690747_200025704644 [0,2,0,0,0,1|0,0,0]=3 19261 B13R1.373 CCOc1cccc(c1)NC(=O)C 11a_100000742568_100015343762 [0,2,0,0,0,1|0,0,0]=3 19262 B13R1.373 CCOc1cccc(c1)NC(=O)C 1626a_100000742568_100015343762 [0,2,0,0,0,1|0,0,0]=3 19263 B13R1.373 CCOc1cccc(c1)NC(=O)C 22a_100000742568_100000070787 [0,2,0,0,0,1|0,0,0]=3 19264 B13R1.373 CCOc1cccc(c1)NC(=O)C 34a_100000158604_100000210202 [0,2,0,0,0,1|0,0,0]=3 19265 B13R1.373 CCOc1cccc(c1)NC(=O)C 527a_100000742568_100103153847 [0,2,0,0,0,1|0,0,0]=3 19266 B13R1.373 CCOc1cccc(c1)NC(=O)C 7a_100000158604_100000210202 [0,2,0,0,0,1|0,0,0]=3 19267 B13R1.373 CCOc1cccc(c1)NC(=O)N 34a_100011219624_100000210202 [0,2,0,0,0,1|1,0,0]=4 19268 B13R1.373 CCOc1cccc(c1)NC(=O)N 7a_100011219624_100000210202 [0,2,0,0,0,1|1,0,0]=4 19269 B13R1.373 CCOc1cccc(c1)OC(=O)C 7a_100011218754_100000210202 [0,2,0,0,0,1|0,0,0]=3 19270 B13R1.373 CCSc1cc(ccn1)NC(=O)C 62a_100000210202_100000238608 [0,2,0,0,0,1|1,0,0]=4 19271 B13R1.373 CCSc1cccc(c1)C=C(C)C 271570a_100102525489_100000703699 [0,2,0,0,0,1|1,0,0]=4 19272 B13R1.373 CCSc1cccc(c1)CC(=O)C 62a_100000210202_100000689217 [0,2,0,0,0,1|0,0,0]=3 19273 B13R1.373 CCSc1cccc(c1)CC(=O)C 62a_100000689217_100000210202 [0,2,0,0,0,1|0,0,0]=3 19274 B13R1.373 CCSc1cccc(c1)CC(=O)N 62a_100000210202_100011586816 [0,2,0,0,0,1|1,0,0]=4 19275 B13R1.373 CCSc1cccc(c1)CC(=O)N 62a_100011586816_100000210202 [0,2,0,0,0,1|1,0,0]=4 19276 B13R1.373 CCSc1cccc(c1)NC(=O)C 62a_100000210202_100000153616 [0,2,0,0,0,1|0,0,0]=3 19277 B13R1.373 CCSc1cccc(c1)NC(=O)N 62a_100000210202_100000238923 [0,2,0,0,0,1|1,0,0]=4 19278 B13R1.373 CCSc1cccc(c1)OC(=O)C 62a_100000210202_100009811612 [0,2,0,0,0,1|0,0,0]=3 19279 B13R1.373 CCSc1cccc(n1)NC(=O)C 62a_100000210202_200011307899 [0,2,0,0,0,1|1,0,0]=4 19280 B13R1.373 CCSc1ccnc(c1)NC(=O)C 62a_100000210202_100012362434 [0,2,0,0,0,1|1,0,0]=4 19281 B13R1.373 CCSc1cncc(c1)NC(=O)C 62a_100000210202_100012351681 [0,2,0,0,0,1|1,0,0]=4 19282 B13R1.373 CNCc1cccc(c1)C=C(C)C 271570a_100102525489_100000187585 [0,2,0,0,0,1|1,0,0]=4 19283 B13R1.373 CNCc1cccc(c1)NC(=O)C 207a_100102657272_100011257792 [0,2,0,0,0,1|0,0,0]=3 19284 B13R1.373 CNCc1cccc(c1)NC(=O)C 2230a_100000740035_200000210301 [0,2,0,0,0,1|0,0,0]=3 19285 B13R1.373 CNCc1cccc(c1)NC(=O)C 270004a_106832991635_100011257792 [0,2,0,0,0,1|0,0,0]=3 19286 B13R1.373 CNCc1cccc(c1)NC(=O)C 34a_100000740035_200000210301 [0,2,0,0,0,1|0,0,0]=3 19287 B13R1.373 CNCc1cccc(c1)OC(=O)C 207a_100102657272_100000014719 [0,2,0,0,0,1|0,0,0]=3 19288 B13R1.373 CNCc1cccc(c1)OC(=O)C 2230a_106832991635_200009816940 [0,2,0,0,0,1|0,0,0]=3 19289 B13R1.373 CNCc1cccc(c1)OC(=O)C 270004a_106832991635_100000014719 [0,2,0,0,0,1|0,0,0]=3 19290 B13R1.373 CNCc1cccc(c1)OC(=O)C 34a_100102657272_200009816940 [0,2,0,0,0,1|0,0,0]=3 19291 B13R1.373 CNCc1cccc(c1)OC(=O)C 7a_106832991635_200009816940 [0,2,0,0,0,1|0,0,0]=3 19292 B13R1.373 COCc1cccc(c1)C=C(C)C 271570a_100102525489_100011493687 [0,2,0,0,0,1|1,0,0]=4 19293 B13R1.373 COCc1cccc(c1)NC(=O)C 11a_100000737370_100015343762 [0,2,0,0,0,1|0,0,0]=3 19294 B13R1.373 COCc1cccc(c1)NC(=O)C 1626a_100000737370_100015343762 [0,2,0,0,0,1|0,0,0]=3 19295 B13R1.373 COCc1cccc(c1)NC(=O)C 22a_100000737370_100000070787 [0,2,0,0,0,1|0,0,0]=3 19296 B13R1.373 COCc1cccc(c1)NC(=O)C 527a_100000737370_100103153847 [0,2,0,0,0,1|0,0,0]=3 19297 B13R1.373 COCc1cccc(c1)OC(=O)C 34a_100138415774_200009816940 [0,2,0,0,0,1|0,0,0]=3 19298 B13R1.373 CSCc1cccc(c1)OC(=O)C 62a_200000210301_200009816940 [0,2,0,0,0,1|0,0,0]=3 19299 B13R1.373 CSCc1cccc(c1)OC(=O)C 62a_200009816940_200000210301 [0,2,0,0,0,1|0,0,0]=3 19300 B13R1.373 NC(=O)Cc1cccc(c1)NCF 34a_200011690101_100015361967 [0,2,0,0,0,1|1,0,0]=4 19301 B13R1.373 NC(=O)Cc1cccc(c1)OCF 34a_200000747573_100015361967 [0,2,0,0,0,1|1,0,0]=4 19302 B13R1.373 NC(=O)Cc1cccc(c1)OCF 7a_200000747573_100015361967 [0,2,0,0,0,1|1,0,0]=4 19303 B13R1.373 NC(=O)Cc1cccc(c1)SCF 62a_100011586816_100015361967 [0,2,0,0,0,1|1,0,0]=4 19304 B13R1.373 NC(=O)Cc1cccc(c1)SCF 62a_100015361967_100011586816 [0,2,0,0,0,1|1,0,0]=4 19305 B13R1.373 NC(=O)Nc1cccc(c1)NCF 34a_100000736001_100015361967 [0,2,0,0,0,1|1,0,0]=4 19306 B13R1.373 NC(=O)Nc1cccc(c1)OCF 34a_100011219624_100015361967 [0,2,0,0,0,1|1,0,0]=4 19307 B13R1.373 NC(=O)Nc1cccc(c1)OCF 7a_100011219624_100015361967 [0,2,0,0,0,1|1,0,0]=4 19308 B13R1.373 NC(=O)Nc1cccc(c1)SCF 62a_100015361967_100000238923 [0,2,0,0,0,1|1,0,0]=4 19309 B13R1.587 C=C(C)c1cc(ccn1)NC(=O)C 271570a_100000694244_100000238608 [0,2,0,0,0,1|1,0,0]=4 19310 B13R1.587 C=C(C)c1cccc(c1)C=C(C)C 271570a_100102525489_100012123953 [0,2,0,0,0,1|1,0,0]=4 19311 B13R1.587 C=C(C)c1cccc(c1)CC(=O)C 271570a_100000694244_100000689217 [0,2,0,0,0,1|0,0,0]=3 19312 B13R1.587 C=C(C)c1cccc(c1)CC(=O)N 271570a_100000694244_100011586816 [0,2,0,0,0,1|1,0,0]=4 19313 B13R1.587 C=C(C)c1cccc(c1)NC(=O)C 271570a_100000694244_100000153616 [0,2,0,0,0,1|0,0,0]=3 19314 B13R1.587 C=C(C)c1cccc(c1)NC(=O)N 271570a_100000694244_100000238923 [0,2,0,0,0,1|1,0,0]=4 19315 B13R1.587 C=C(C)c1cccc(c1)OC(=O)C 271570a_100000694244_100009811612 [0,2,0,0,0,1|0,0,0]=3 19316 B13R1.587 C=C(C)c1cccc(n1)NC(=O)C 271570a_100000694244_200011307899 [0,2,0,0,0,1|1,0,0]=4 19317 B13R1.587 C=C(C)c1ccnc(c1)NC(=O)C 271570a_100000694244_100012362434 [0,2,0,0,0,1|1,0,0]=4 19318 B13R1.587 C=C(C)c1cncc(c1)NC(=O)C 271570a_100000694244_100012351681 [0,2,0,0,0,1|1,0,0]=4 19319 B13R1.587 CC(=Cc1cccc(c1)C(C)C)C 271570a_100102525489_100011214899 [0,2,0,0,0,1|1,0,0]=4 19320 B13R1.587 CC(=Cc1cccc(c1)C(C)N)C 271570a_100102525489_100020642005 [0,2,0,0,0,1|1,0,0]=4 19321 B13R1.587 CC(=Cc1cccc(c1)C(C)O)C 271570a_100102525489_100000246457 [0,2,0,0,0,1|1,0,0]=4 19322 B13R1.587 CC(=Cc1cccc(c1)C(F)F)C 271570a_100102525489_100009892619 [0,2,0,0,0,1|1,0,0]=4 19323 B13R1.587 CC(=Cc1cccc(c1)N(C)C)C 271570a_100102525489_100011215952 [0,2,0,0,0,1|1,0,0]=4 19324 B13R1.587 CC(=Cc1cccc(c1)S(=O)C)C 271570a_100102525489_100009816267 [0,2,0,0,0,1|1,0,0]=4 19325 B13R1.587 CC(=O)Cc1cccc(c1)B(O)O 1458a_100000070787_100009814088 [0,2,0,0,0,1|1,0,0]=4 19326 B13R1.587 CC(=O)Cc1cccc(c1)C(=O)C 1458a_100000070787_100000084091 [0,2,0,0,0,1|0,0,0]=3 19327 B13R1.587 CC(=O)Cc1cccc(c1)C(=O)N 1458a_100000070787_100000738444 [0,2,0,0,0,1|0,0,1]=4 19328 B13R1.587 CC(=O)Cc1cccc(c1)C(F)F 1458a_100000070787_100012343606 [0,2,0,0,0,1|0,0,0]=3 19329 B13R1.587 CC(=O)Cc1cccc(c1)[N+](=O)[O-] 1458a_100000070787_100000737091 [0,2,0,0,0,1|1,0,0]=4 19330 B13R1.587 CC(=O)Cc1cccc(c1)[N+](=O)[O-] 1458a_100000749288_200000210301 [0,2,0,0,0,1|1,0,0]=4 19331 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)C 1458a_100000188798_200000210301 [0,2,0,0,0,1|0,0,0]=3 19332 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)N 11a_100000217337_100015343762 [0,2,0,0,0,1|0,0,1]=4 19333 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)N 1626a_100000217337_100015343762 [0,2,0,0,0,1|0,0,1]=4 19334 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)N 22a_100000217337_100000070787 [0,2,0,0,0,1|0,0,1]=4 19335 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)[13CH3] 1458a_100000188798_200025704644 [0,2,0,0,0,1|0,0,0]=3 19336 B13R1.587 CC(=O)Nc1cccc(c1)C(=S)N 11a_200011830438_100015343762 [0,2,0,0,0,1|0,0,1]=4 19337 B13R1.587 CC(=O)Nc1cccc(c1)C(=S)N 1626a_200011830438_100015343762 [0,2,0,0,0,1|0,0,1]=4 19338 B13R1.587 CC(=O)Nc1cccc(c1)C(=S)N 527a_200011830438_100103153847 [0,2,0,0,0,1|0,0,1]=4 19339 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C 11a_100000211879_100015343762 [0,2,0,0,0,1|0,0,0]=3 19340 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C 1626a_100000211879_100015343762 [0,2,0,0,0,1|0,0,0]=3 19341 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C 22a_100000211879_100000070787 [0,2,0,0,0,1|0,0,0]=3 19342 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C 527a_100000211879_100103153847 [0,2,0,0,0,1|0,0,0]=3 19343 B13R1.587 CC(=O)Nc1cccc(c1)C(C)O 22a_100011217120_100000070787 [0,2,0,0,0,1|0,0,0]=3 19344 B13R1.587 CC(=O)Nc1cccc(c1)C(C)O 527a_100011217120_100103153847 [0,2,0,0,0,1|0,0,0]=3 19345 B13R1.587 CC(=O)Nc1cccc(c1)C(F)F 11a_100000058342_100015343762 [0,2,0,0,0,1|0,0,0]=3 19346 B13R1.587 CC(=O)Nc1cccc(c1)C(F)F 1626a_100000058342_100015343762 [0,2,0,0,0,1|0,0,0]=3 19347 B13R1.587 CC(=O)Nc1cccc(c1)C(F)F 22a_100000058342_100000070787 [0,2,0,0,0,1|0,0,0]=3 19348 B13R1.587 CC(=O)Nc1cccc(c1)C(F)F 527a_100000058342_100103153847 [0,2,0,0,0,1|0,0,0]=3 19349 B13R1.587 CC(=O)Nc1cccc(c1)N(C)C 11a_100000209982_100015343762 [0,2,0,0,0,1|0,0,0]=3 19350 B13R1.587 CC(=O)Nc1cccc(c1)N(C)C 1626a_100000209982_100015343762 [0,2,0,0,0,1|0,0,0]=3 19351 B13R1.587 CC(=O)Nc1cccc(c1)N(C)C 22a_100000209982_100000070787 [0,2,0,0,0,1|0,0,0]=3 19352 B13R1.587 CC(=O)Nc1cccc(c1)N(C)C 527a_100000209982_100103153847 [0,2,0,0,0,1|0,0,0]=3 19353 B13R1.587 CC(=O)Nc1cccc(c1)[N+](=O)[O-] 11a_100000184103_100015343762 [0,2,0,0,0,1|1,0,0]=4 19354 B13R1.587 CC(=O)Nc1cccc(c1)[N+](=O)[O-] 1626a_100000184103_100015343762 [0,2,0,0,0,1|1,0,0]=4 19355 B13R1.587 CC(=O)Nc1cccc(c1)[N+](=O)[O-] 22a_100000184103_100000070787 [0,2,0,0,0,1|1,0,0]=4 19356 B13R1.587 CC(=O)c1cccc(c1)C=C(C)C 271570a_100102525489_100000210093 [0,2,0,0,0,1|1,0,0]=4 19357 B13R1.587 CC(=O)c1cccc(c1)CS(=O)C 1458a_100000234313_200000210301 [0,2,0,0,0,1|1,0,0]=4 19358 B13R1.587 CC(=O)c1cccc(c1)NC(=O)N 1458a_100000199042_200000210301 [0,2,0,0,0,1|1,0,0]=4 19359 B13R1.587 CS(=O)Cc1cccc(c1)C(=O)[13CH3] 1458a_100000234313_200025704644 [0,2,0,0,0,1|1,0,0]=4 19360 B13R1.587 [13CH3]C(=O)Cc1cccc(c1)[N+](=O)[O-] 1458a_100000749288_200025704644 [0,2,0,0,0,1|1,0,0]=4 19361 B13R1.587 [13CH3]C(=O)c1cccc(c1)NC(=O)N 1458a_100000199042_200025704644 [0,2,0,0,0,1|1,0,0]=4 19362 B13R1.38 C=Cc1ccc(cc1C)S(=O)(=O)C 271570a_100011290941_200010713620 [0,3,0,0,0,0|1,0,0]=4 19363 B13R1.38 CNc1ccc(cc1C)P(=O)(C)C 2230a_200150727776_200000210301 [0,3,0,0,0,0|1,0,0]=4 19364 B13R1.38 CNc1ccc(cc1C)P(=O)(C)C 34a_200150727776_200000210301 [0,3,0,0,0,0|1,0,0]=4 19365 B13R1.38 CNc1ccc(cc1C)P(=O)(C)C 7a_200150727776_200000210301 [0,3,0,0,0,0|1,0,0]=4 19366 B13R1.38 CNc1ccc(cc1C)S(=O)(=O)C 34a_100000755730_200000210301 [0,3,0,0,0,0|1,0,0]=4 19367 B13R1.38 CNc1ccc(cc1C)S(=O)(=O)C 7a_100000755730_200000210301 [0,3,0,0,0,0|1,0,0]=4 19368 B13R1.38 CSc1ccc(cc1C)S(=O)(=O)C 62a_200000210301_200010713620 [0,3,0,0,0,0|1,0,0]=4 19369 B13R1.38 CSc1ccc(cc1C)S(=O)(=O)C 62a_200010713620_200000210301 [0,3,0,0,0,0|1,0,0]=4 19370 B13R1.38 Cc1cc(ccc1N[13CH3])P(=O)(C)C 2230a_200150727776_200025704644 [0,3,0,0,0,0|1,0,0]=4 19371 B13R1.38 Cc1cc(ccc1N[13CH3])P(=O)(C)C 34a_200150727776_200025704644 [0,3,0,0,0,0|1,0,0]=4 19372 B13R1.38 Cc1cc(ccc1N[13CH3])P(=O)(C)C 7a_200150727776_200025704644 [0,3,0,0,0,0|1,0,0]=4 19373 B13R1.38 Cc1cc(ccc1N[13CH3])S(=O)(=O)C 34a_100000755730_200025704644 [0,3,0,0,0,0|1,0,0]=4 19374 B13R1.38 Cc1cc(ccc1N[13CH3])S(=O)(=O)C 7a_100000755730_200025704644 [0,3,0,0,0,0|1,0,0]=4 19375 B13R1.38 Cc1cc(ccc1S[13CH3])S(=O)(=O)C 62a_200010713620_200025704644 [0,3,0,0,0,0|1,0,0]=4 19376 B13R1.38 Cc1cc(ccc1S[13CH3])S(=O)(=O)C 62a_200025704644_200010713620 [0,3,0,0,0,0|1,0,0]=4 19377 B13R1.50 CNc1cc(ccc1Br)S(=O)(=O)C 34a_200015322649_200000210301 [0,3,0,0,0,0|1,0,0]=4 19378 B13R1.50 CNc1cc(ccc1Br)S(=O)(=O)C 7a_200015322649_200000210301 [0,3,0,0,0,0|1,0,0]=4 19379 B13R1.50 CNc1cc(ccc1C)S(=O)(=O)C 34a_100000230108_200000210301 [0,3,0,0,0,0|1,0,0]=4 19380 B13R1.50 CNc1cc(ccc1C)S(=O)(=O)C 7a_100000230108_200000210301 [0,3,0,0,0,0|1,0,0]=4 19381 B13R1.50 CNc1cc(ccc1F)S(=O)(=O)C 34a_100000217634_200000210301 [0,3,0,0,0,0|1,0,0]=4 19382 B13R1.50 CNc1cc(ccc1F)S(=O)(=O)C 7a_100000217634_200000210301 [0,3,0,0,0,0|1,0,0]=4 19383 B13R1.50 CNc1cc(ccc1O)S(=O)(=O)C 34a_100000186253_200000210301 [0,3,0,0,0,0|1,0,0]=4 19384 B13R1.50 CNc1cc(ccc1O)S(=O)(=O)C 7a_100000186253_200000210301 [0,3,0,0,0,0|1,0,0]=4 19385 B13R1.50 CS(=O)(=O)c1ccc(c(c1)N[13CH3])Br 34a_200015322649_200025704644 [0,3,0,0,0,0|1,0,0]=4 19386 B13R1.50 CS(=O)(=O)c1ccc(c(c1)N[13CH3])Br 7a_200015322649_200025704644 [0,3,0,0,0,0|1,0,0]=4 19387 B13R1.50 CS(=O)(=O)c1ccc(c(c1)N[13CH3])F 34a_100000217634_200025704644 [0,3,0,0,0,0|1,0,0]=4 19388 B13R1.50 CS(=O)(=O)c1ccc(c(c1)N[13CH3])F 7a_100000217634_200025704644 [0,3,0,0,0,0|1,0,0]=4 19389 B13R1.50 CS(=O)(=O)c1ccc(c(c1)N[13CH3])O 34a_100000186253_200025704644 [0,3,0,0,0,0|1,0,0]=4 19390 B13R1.50 CS(=O)(=O)c1ccc(c(c1)N[13CH3])O 7a_100000186253_200025704644 [0,3,0,0,0,0|1,0,0]=4 19391 B13R1.50 CS(=O)(=O)c1ccc(c(c1)S[13CH3])F 62a_200000048130_200025704644 [0,3,0,0,0,0|1,0,0]=4 19392 B13R1.50 CS(=O)(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_200000048130 [0,3,0,0,0,0|1,0,0]=4 19393 B13R1.50 CS(=O)(=O)c1ccc(c(c1)S[13CH3])N 62a_100000743533_200025704644 [0,3,0,0,0,0|1,0,0]=4 19394 B13R1.50 CS(=O)(=O)c1ccc(c(c1)S[13CH3])N 62a_200025704644_100000743533 [0,3,0,0,0,0|1,0,0]=4 19395 B13R1.50 CSc1cc(ccc1C)S(=O)(=O)C 62a_100010175561_200000210301 [0,3,0,0,0,0|1,0,0]=4 19396 B13R1.50 CSc1cc(ccc1C)S(=O)(=O)C 62a_200000210301_100010175561 [0,3,0,0,0,0|1,0,0]=4 19397 B13R1.50 CSc1cc(ccc1F)S(=O)(=O)C 62a_200000048130_200000210301 [0,3,0,0,0,0|1,0,0]=4 19398 B13R1.50 CSc1cc(ccc1F)S(=O)(=O)C 62a_200000210301_200000048130 [0,3,0,0,0,0|1,0,0]=4 19399 B13R1.50 CSc1cc(ccc1N)S(=O)(=O)C 62a_100000743533_200000210301 [0,3,0,0,0,0|1,0,0]=4 19400 B13R1.50 CSc1cc(ccc1N)S(=O)(=O)C 62a_200000210301_100000743533 [0,3,0,0,0,0|1,0,0]=4 19401 B13R1.50 Cc1ccc(cc1N[13CH3])S(=O)(=O)C 34a_100000230108_200025704644 [0,3,0,0,0,0|1,0,0]=4 19402 B13R1.50 Cc1ccc(cc1N[13CH3])S(=O)(=O)C 7a_100000230108_200025704644 [0,3,0,0,0,0|1,0,0]=4 19403 B13R1.50 Cc1ccc(cc1S[13CH3])S(=O)(=O)C 62a_100010175561_200025704644 [0,3,0,0,0,0|1,0,0]=4 19404 B13R1.50 Cc1ccc(cc1S[13CH3])S(=O)(=O)C 62a_200025704644_100010175561 [0,3,0,0,0,0|1,0,0]=4 19405 B13R1.272 CNS(=O)(=O)c1ccc(c(c1)C)Br 270084a_100102657272_100000184575 [0,3,0,0,0,0|1,0,0]=4 19406 B13R1.272 CNS(=O)(=O)c1ccc(c(c1)C)Br 274078a_100102657272_100000184575 [0,3,0,0,0,0|1,0,0]=4 19407 B13R1.272 CNS(=O)(=O)c1ccc(c(c1)C)Br 40a_100102657272_200015196462 [0,3,0,0,0,0|1,0,0]=4 19408 B13R1.272 CNS(=O)(=O)c1ccc(c(c1)C)C 270084a_100102657272_200000182954 [0,3,0,0,0,0|1,0,0]=4 19409 B13R1.272 CNS(=O)(=O)c1ccc(c(c1)C)C 274078a_100102657272_200000182954 [0,3,0,0,0,0|1,0,0]=4 19410 B13R1.272 CNS(=O)(=O)c1ccc(c(c1)C)Cl 270084a_100102657272_100000051332 [0,3,0,0,0,0|1,0,0]=4 19411 B13R1.272 CNS(=O)(=O)c1ccc(c(c1)C)Cl 274078a_100102657272_100000051332 [0,3,0,0,0,0|1,0,0]=4 19412 B13R1.272 CNS(=O)(=O)c1ccc(c(c1)C)F 270084a_100102657272_100000742315 [0,3,0,0,0,0|1,0,0]=4 19413 B13R1.272 CNS(=O)(=O)c1ccc(c(c1)C)F 274078a_100102657272_100000742315 [0,3,0,0,0,0|1,0,0]=4 19414 B13R1.272 CNS(=O)(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000165156 [0,3,0,0,0,0|1,0,0]=4 19415 B13R1.120 C=C(C)c1ccc(c(c1)C)B(O)O 271570a_100000694244_100010074995 [0,3,0,0,0,0|1,0,0]=4 19416 B13R1.120 C=C(C)c1ccc(c(c1)C)C(=O)C 271570a_100000694244_100012360112 [0,3,0,0,0,0|1,0,0]=4 19417 B13R1.120 C=C(C)c1ccc(c(c1)C)C(=O)N 271570a_100000694244_100011327924 [0,3,0,0,0,0|1,0,0]=4 19418 B13R1.120 C=C(C)c1ccc(cc1Br)C(=O)C 271570a_100000694244_100010146554 [0,3,0,0,0,0|1,0,0]=4 19419 B13R1.120 C=C(C)c1ccc(cc1C)C(=O)C 271570a_100000694244_100000697869 [0,3,0,0,0,0|0,0,0]=3 19420 B13R1.120 C=C(C)c1ccc(cc1C)C(=O)N 271570a_100000694244_100011218126 [0,3,0,0,0,0|1,0,0]=4 19421 B13R1.120 C=C(C)c1ccc(cc1F)C(=O)C 271570a_100000694244_100000690002 [0,3,0,0,0,0|1,0,0]=4 19422 B13R1.120 C=C(C)c1ccc(cc1N)C(=O)C 271570a_100000694244_100009816534 [0,3,0,0,0,0|1,0,0]=4 19423 B13R1.120 C=C(C)c1cnc(cc1C)C(=O)C 271570a_100000694244_100011011822 [0,3,0,0,0,0|1,0,0]=4 19424 B13R1.120 C=C(C)c1ncc(cc1C)C(=O)C 271570a_100000694244_100009864263 [0,3,0,0,0,0|1,0,0]=4 19425 B13R1.120 CC(=O)c1ccc(c(c1)Br)C(C)C 1458a_100010235942_200000210301 [0,3,0,0,0,0|1,0,0]=4 19426 B13R1.120 CC(=O)c1ccc(c(c1)Br)C(F)F 1458a_100010235945_200000210301 [0,3,0,0,0,0|1,0,0]=4 19427 B13R1.120 CC(=O)c1ccc(c(c1)C)[N+](=O)[O-] 1458a_100000188653_200000210301 [0,3,0,0,0,0|0,0,0]=3 19428 B13R1.120 CC(=O)c1ccc(c(c1)O)[N+](=O)[O-] 1458a_100000195568_200000210301 [0,3,0,0,0,0|1,0,0]=4 19429 B13R1.120 CC(=O)c1ccc(cc1C)C(=O)N 1458a_100009913687_200000210301 [0,3,0,0,0,0|1,0,0]=4 19430 B13R1.120 CC(=O)c1cnc(c(c1)C)N(C)C 27a_100102631434_100009864263 [0,3,0,0,0,0|1,0,0]=4 19431 B13R1.120 CC(C)c1ccc(cc1Br)C(=O)[13CH3] 1458a_100010235942_200025704644 [0,3,0,0,0,0|1,0,0]=4 19432 B13R1.120 Cc1cc(ccc1C(=O)[13CH3])C(=O)N 1458a_100009913687_200025704644 [0,3,0,0,0,0|1,0,0]=4 19433 B13R1.120 Cc1cc(ccc1N(C)C)C(=O)N 27a_100102631434_100011218126 [0,3,0,0,0,0|1,0,0]=4 19434 B13R1.120 Cc1cc(ccc1[N+](=O)[O-])C(=O)[13CH3] 1458a_100000188653_200025704644 [0,3,0,0,0,0|0,0,0]=3 19435 B13R1.120 [13CH3]C(=O)c1ccc(c(c1)Br)C(F)F 1458a_100010235945_200025704644 [0,3,0,0,0,0|1,0,0]=4 19436 B13R1.120 [13CH3]C(=O)c1ccc(c(c1)O)[N+](=O)[O-] 1458a_100000195568_200025704644 [0,3,0,0,0,0|1,0,0]=4 19437 B13R1.144 C=C(C)c1ccc(c(c1)C)CC#N 271570a_100000694244_100000697864 [0,3,0,0,0,0|1,0,0]=4 19438 B13R1.144 C=C(C)c1ccc(c(c1)C)OCC 271570a_100000694244_100011308936 [0,3,0,0,0,0|1,0,0]=4 19439 B13R1.144 C=C=Cc1ccc(cc1Br)C(=O)C 271570a_100015277604_100010146554 [0,3,0,0,0,0|1,0,0]=4 19440 B13R1.144 C=C=Cc1ccc(cc1C)C(=O)C 271570a_100015277604_100000697869 [0,3,0,0,0,0|0,0,0]=3 19441 B13R1.144 C=C=Cc1ccc(cc1C)C(=O)N 271570a_100015277604_100011218126 [0,3,0,0,0,0|1,0,0]=4 19442 B13R1.144 C=C=Cc1ccc(cc1F)C(=O)C 271570a_100015277604_100000690002 [0,3,0,0,0,0|1,0,0]=4 19443 B13R1.144 C=C=Cc1ccc(cc1N)C(=O)C 271570a_100015277604_100009816534 [0,3,0,0,0,0|1,0,0]=4 19444 B13R1.144 C=C=Cc1cnc(cc1C)C(=O)C 271570a_100015277604_100011011822 [0,3,0,0,0,0|1,0,0]=4 19445 B13R1.144 C=C=Cc1ncc(cc1C)C(=O)C 271570a_100015277604_100009864263 [0,3,0,0,0,0|1,0,0]=4 19446 B13R1.144 CC(=O)c1cc(c(cn1)SCF)C 62a_100011011822_100015361967 [0,3,0,0,0,0|1,0,0]=4 19447 B13R1.144 CC(=O)c1cc(c(cn1)SCF)C 62a_100015361967_100011011822 [0,3,0,0,0,0|1,0,0]=4 19448 B13R1.144 CC(=O)c1ccc(c(c1)Br)CS[13CH3] 62a_100010884425_200025704644 [0,3,0,0,0,0|1,0,0]=4 19449 B13R1.144 CC(=O)c1ccc(c(c1)Br)OCF 34a_100011772453_100015361967 [0,3,0,0,0,0|1,0,0]=4 19450 B13R1.144 CC(=O)c1ccc(c(c1)Br)OCF 7a_100011772453_100015361967 [0,3,0,0,0,0|1,0,0]=4 19451 B13R1.144 CC(=O)c1ccc(c(c1)Br)SCF 62a_100010146554_100015361967 [0,3,0,0,0,0|1,0,0]=4 19452 B13R1.144 CC(=O)c1ccc(c(c1)Br)SCF 62a_100015361967_100010146554 [0,3,0,0,0,0|1,0,0]=4 19453 B13R1.144 CC(=O)c1ccc(c(c1)C)OCF 34a_100000188726_100015361967 [0,3,0,0,0,0|0,0,0]=3 19454 B13R1.144 CC(=O)c1ccc(c(c1)C)OCF 7a_100000188726_100015361967 [0,3,0,0,0,0|0,0,0]=3 19455 B13R1.144 CC(=O)c1ccc(c(c1)C)SCF 62a_100000697869_100015361967 [0,3,0,0,0,0|0,0,0]=3 19456 B13R1.144 CC(=O)c1ccc(c(c1)C)SCF 62a_100015361967_100000697869 [0,3,0,0,0,0|0,0,0]=3 19457 B13R1.144 CC(=O)c1ccc(c(c1)Cl)OCF 34a_100000188625_100015361967 [0,3,0,0,0,0|1,0,0]=4 19458 B13R1.144 CC(=O)c1ccc(c(c1)Cl)OCF 7a_100000188625_100015361967 [0,3,0,0,0,0|1,0,0]=4 19459 B13R1.144 CC(=O)c1ccc(c(c1)F)OCF 34a_100000751691_100015361967 [0,3,0,0,0,0|1,0,0]=4 19460 B13R1.144 CC(=O)c1ccc(c(c1)F)OCF 7a_100000751691_100015361967 [0,3,0,0,0,0|1,0,0]=4 19461 B13R1.144 CC(=O)c1ccc(c(c1)F)SCF 62a_100000690002_100015361967 [0,3,0,0,0,0|1,0,0]=4 19462 B13R1.144 CC(=O)c1ccc(c(c1)F)SCF 62a_100015361967_100000690002 [0,3,0,0,0,0|1,0,0]=4 19463 B13R1.144 CC(=O)c1ccc(c(c1)N)OCF 34a_100000117292_100015361967 [0,3,0,0,0,0|1,0,0]=4 19464 B13R1.144 CC(=O)c1ccc(c(c1)N)OCF 7a_100000117292_100015361967 [0,3,0,0,0,0|1,0,0]=4 19465 B13R1.144 CC(=O)c1ccc(c(c1)N)SCF 62a_100009816534_100015361967 [0,3,0,0,0,0|1,0,0]=4 19466 B13R1.144 CC(=O)c1cnc(c(c1)C)SCF 62a_100009864263_100015361967 [0,3,0,0,0,0|1,0,0]=4 19467 B13R1.144 CC(=O)c1cnc(c(c1)C)SCF 62a_100015361967_100009864263 [0,3,0,0,0,0|1,0,0]=4 19468 B13R1.144 CC=Cc1ccc(cc1Br)C(=O)C 271570a_100016259895_100010146554 [0,3,0,0,0,0|1,0,0]=4 19469 B13R1.144 CC=Cc1ccc(cc1C)C(=O)C 271570a_100016259895_100000697869 [0,3,0,0,0,0|0,0,0]=3 19470 B13R1.144 CC=Cc1ccc(cc1C)C(=O)N 271570a_100016259895_100011218126 [0,3,0,0,0,0|1,0,0]=4 19471 B13R1.144 CC=Cc1ccc(cc1F)C(=O)C 271570a_100016259895_100000690002 [0,3,0,0,0,0|1,0,0]=4 19472 B13R1.144 CC=Cc1ccc(cc1N)C(=O)C 271570a_100016259895_100009816534 [0,3,0,0,0,0|1,0,0]=4 19473 B13R1.144 CC=Cc1cnc(cc1C)C(=O)C 271570a_100016259895_100011011822 [0,3,0,0,0,0|1,0,0]=4 19474 B13R1.144 CC=Cc1ncc(cc1C)C(=O)C 271570a_100016259895_100009864263 [0,3,0,0,0,0|1,0,0]=4 19475 B13R1.144 CCCc1ccc(cc1Br)C(=O)C 1458a_200010235943_200000210301 [0,3,0,0,0,0|1,0,0]=4 19476 B13R1.144 CCCc1ccc(cc1Br)C(=O)[13CH3] 1458a_200010235943_200025704644 [0,3,0,0,0,0|1,0,0]=4 19477 B13R1.144 CCNc1ccc(cc1C)C(=O)N 27a_100015525214_100011218126 [0,3,0,0,0,0|1,0,0]=4 19478 B13R1.144 CCNc1ccc(cc1C)C(=O)N 34a_100000746439_100000210202 [0,3,0,0,0,0|1,0,0]=4 19479 B13R1.144 CCNc1ccc(cc1C)C(=O)N 7a_100000746439_100000210202 [0,3,0,0,0,0|1,0,0]=4 19480 B13R1.144 CCNc1ncc(cc1C)C(=O)C 27a_100015525214_100009864263 [0,3,0,0,0,0|1,0,0]=4 19481 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 1458a_100000230806_200000210301 [0,3,0,0,0,0|1,0,0]=4 19482 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 34a_100011772453_100000210202 [0,3,0,0,0,0|1,0,0]=4 19483 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 7a_100011772453_100000210202 [0,3,0,0,0,0|1,0,0]=4 19484 B13R1.144 CCOc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000230806_200025704644 [0,3,0,0,0,0|1,0,0]=4 19485 B13R1.144 CCOc1ccc(cc1C)C(=O)C 34a_100000188726_100000210202 [0,3,0,0,0,0|0,0,0]=3 19486 B13R1.144 CCOc1ccc(cc1C)C(=O)C 7a_100000188726_100000210202 [0,3,0,0,0,0|0,0,0]=3 19487 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 1458a_100000230665_200000210301 [0,3,0,0,0,0|1,0,0]=4 19488 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 34a_100000188625_100000210202 [0,3,0,0,0,0|1,0,0]=4 19489 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 7a_100000188625_100000210202 [0,3,0,0,0,0|1,0,0]=4 19490 B13R1.144 CCOc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000230665_200025704644 [0,3,0,0,0,0|1,0,0]=4 19491 B13R1.144 CCOc1ccc(cc1F)C(=O)C 34a_100000751691_100000210202 [0,3,0,0,0,0|1,0,0]=4 19492 B13R1.144 CCOc1ccc(cc1F)C(=O)C 7a_100000751691_100000210202 [0,3,0,0,0,0|1,0,0]=4 19493 B13R1.144 CCOc1ccc(cc1N)C(=O)C 34a_100000117292_100000210202 [0,3,0,0,0,0|1,0,0]=4 19494 B13R1.144 CCOc1ccc(cc1N)C(=O)C 7a_100000117292_100000210202 [0,3,0,0,0,0|1,0,0]=4 19495 B13R1.144 CCSc1ccc(cc1Br)C(=O)C 62a_100000210202_100010146554 [0,3,0,0,0,0|1,0,0]=4 19496 B13R1.144 CCSc1ccc(cc1Br)C(=O)C 62a_100010146554_100000210202 [0,3,0,0,0,0|1,0,0]=4 19497 B13R1.144 CCSc1ccc(cc1C)C(=O)C 62a_100000210202_100000697869 [0,3,0,0,0,0|0,0,0]=3 19498 B13R1.144 CCSc1ccc(cc1C)C(=O)C 62a_100000697869_100000210202 [0,3,0,0,0,0|0,0,0]=3 19499 B13R1.144 CCSc1ccc(cc1C)C(=O)N 62a_100000210202_100011218126 [0,3,0,0,0,0|1,0,0]=4 19500 B13R1.144 CCSc1ccc(cc1C)C(=O)N 62a_100011218126_100000210202 [0,3,0,0,0,0|1,0,0]=4 19501 B13R1.144 CCSc1ccc(cc1F)C(=O)C 62a_100000210202_100000690002 [0,3,0,0,0,0|1,0,0]=4 19502 B13R1.144 CCSc1ccc(cc1F)C(=O)C 62a_100000690002_100000210202 [0,3,0,0,0,0|1,0,0]=4 19503 B13R1.144 CCSc1ccc(cc1N)C(=O)C 62a_100009816534_100000210202 [0,3,0,0,0,0|1,0,0]=4 19504 B13R1.144 CCSc1cnc(cc1C)C(=O)C 62a_100000210202_100011011822 [0,3,0,0,0,0|1,0,0]=4 19505 B13R1.144 CCSc1cnc(cc1C)C(=O)C 62a_100011011822_100000210202 [0,3,0,0,0,0|1,0,0]=4 19506 B13R1.144 CCSc1ncc(cc1C)C(=O)C 62a_100000210202_100009864263 [0,3,0,0,0,0|1,0,0]=4 19507 B13R1.144 CCSc1ncc(cc1C)C(=O)C 62a_100009864263_100000210202 [0,3,0,0,0,0|1,0,0]=4 19508 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 2230a_106832991635_100010884425 [0,3,0,0,0,0|1,0,0]=4 19509 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 26a_100102657272_100011772453 [0,3,0,0,0,0|1,0,0]=4 19510 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 34a_100102657272_100010884425 [0,3,0,0,0,0|1,0,0]=4 19511 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 7a_106832991635_100010884425 [0,3,0,0,0,0|1,0,0]=4 19512 B13R1.144 CNCc1ccc(cc1Cl)C(=O)C 26a_100102657272_100000188625 [0,3,0,0,0,0|1,0,0]=4 19513 B13R1.144 CNCc1ccc(cc1F)C(=O)C 26a_100102657272_100000751691 [0,3,0,0,0,0|1,0,0]=4 19514 B13R1.144 COCc1ccc(cc1Br)C(=O)C 34a_100138415774_100010884425 [0,3,0,0,0,0|1,0,0]=4 19515 B13R1.144 CSCc1ccc(cc1Br)C(=O)C 62a_100010884425_200000210301 [0,3,0,0,0,0|1,0,0]=4 19516 B13R1.144 Cc1cc(ccc1NCF)C(=O)N 34a_100000746439_100015361967 [0,3,0,0,0,0|1,0,0]=4 19517 B13R1.144 Cc1cc(ccc1NCF)C(=O)N 7a_100000746439_100015361967 [0,3,0,0,0,0|1,0,0]=4 19518 B13R1.144 Cc1cc(ccc1SCF)C(=O)N 62a_100011218126_100015361967 [0,3,0,0,0,0|1,0,0]=4 19519 B13R1.144 Cc1cc(ccc1SCF)C(=O)N 62a_100015361967_100011218126 [0,3,0,0,0,0|1,0,0]=4 19520 B13R1.652 C=C(C)c1cc(c(cc1C)C=O)C 271570a_100000694244_100012024176 [0,3,0,0,0,0|1,0,0]=4 19521 B13R1.652 C=C(C)c1cc(c(cc1C)OC)C 271570a_100000694244_100000698960 [0,3,0,0,0,0|1,0,0]=4 19522 B13R1.652 C=C(C)c1cc(c(cc1F)C#N)C 271570a_100000694244_100012353738 [0,3,0,0,0,0|1,0,0]=4 19523 B13R1.652 C=C(C)c1cc(c(cc1F)C=O)C 271570a_100000694244_100010186292 [0,3,0,0,0,0|1,0,0]=4 19524 B13R1.652 C=C(C)c1cc(c(cc1N)OC)C 271570a_100000694244_100010244135 [0,3,0,0,0,0|1,0,0]=4 19525 B13R1.652 C=Cc1cc(c(cc1C)C(=O)C)O 271570a_100011290941_100009816031 [0,3,0,0,0,0|0,0,0]=3 19526 B13R1.652 C=Cc1cc(c(cc1F)C(=O)C)F 271570a_100011290941_100012024335 [0,3,0,0,0,0|1,0,0]=4 19527 B13R1.652 C=Cc1cc(c(cc1F)C(=O)C)O 271570a_100011290941_200010245088 [0,3,0,0,0,0|1,0,0]=4 19528 B13R1.652 CC(=O)c1cc(c(cc1F)S[13CH3])F 62a_100012024335_200025704644 [0,3,0,0,0,0|1,0,0]=4 19529 B13R1.652 CC(=O)c1cc(c(cc1O)S[13CH3])C 62a_100009816031_200025704644 [0,3,0,0,0,0|0,0,0]=3 19530 B13R1.652 CC(=O)c1cc(c(cc1O)S[13CH3])F 62a_200010245088_200025704644 [0,3,0,0,0,0|1,0,0]=4 19531 B13R1.652 COc1cc(c(cc1Br)C(=O)C)C 1458a_100010233827_200000210301 [0,3,0,0,0,0|1,0,0]=4 19532 B13R1.652 COc1cc(c(cc1Br)C(=O)C)F 1458a_100010270082_200000210301 [0,3,0,0,0,0|1,0,0]=4 19533 B13R1.652 COc1cc(c(cc1Br)C(=O)C)O 1458a_100009816734_200000210301 [0,3,0,0,0,0|1,0,0]=4 19534 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100010233827_200025704644 [0,3,0,0,0,0|1,0,0]=4 19535 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])F 1458a_100010270082_200025704644 [0,3,0,0,0,0|1,0,0]=4 19536 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100009816734_200025704644 [0,3,0,0,0,0|1,0,0]=4 19537 B13R1.652 COc1cc(c(cc1C)C(=O)C)C 1458a_100011996352_200000210301 [0,3,0,0,0,0|0,0,0]=3 19538 B13R1.652 COc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011996352_200025704644 [0,3,0,0,0,0|0,0,0]=3 19539 B13R1.652 COc1cc(c(cc1F)C(=O)C)F 1458a_100009861218_200000210301 [0,3,0,0,0,0|1,0,0]=4 19540 B13R1.652 COc1cc(c(cc1F)C(=O)[13CH3])F 1458a_100009861218_200025704644 [0,3,0,0,0,0|1,0,0]=4 19541 B13R1.652 COc1cc(c(cc1O)C(=O)C)Br 1458a_100010074811_200000210301 [0,3,0,0,0,0|1,0,0]=4 19542 B13R1.652 COc1cc(c(cc1O)C(=O)C)O 271570a_203496583355_100009813116 [0,3,0,0,0,0|1,0,0]=4 19543 B13R1.652 COc1cc(c(cc1O)C(=O)[13CH3])Br 1458a_100010074811_200025704644 [0,3,0,0,0,0|1,0,0]=4 19544 B13R1.652 CSc1cc(c(cc1C)C(=O)C)O 62a_100009816031_200000210301 [0,3,0,0,0,0|0,0,0]=3 19545 B13R1.652 CSc1cc(c(cc1F)C(=O)C)F 62a_100012024335_200000210301 [0,3,0,0,0,0|1,0,0]=4 19546 B13R1.652 CSc1cc(c(cc1F)C(=O)C)O 62a_200010245088_200000210301 [0,3,0,0,0,0|1,0,0]=4 19547 B13R1.3088 C#Cc1ccc(cc1C)C(=O)CC 1458a_100013243528_100000210202 [0,3,0,0,0,0|0,0,0]=3 19548 B13R1.3088 C#Cc1ccc(cc1C)C(=O)CF 1458a_100013243528_100015361967 [0,3,0,0,0,0|0,0,0]=3 19549 B13R1.3088 C#Cc1ccc(cc1C)C(=O)NC 11a_106832991635_100013243528 [0,3,0,0,0,0|0,0,0]=3 19550 B13R1.3088 C#Cc1ccc(cc1C)C(=O)NC 1626a_100102657272_100013243528 [0,3,0,0,0,0|0,0,0]=3 19551 B13R1.3088 C#Cc1ccc(cc1C)C(=O)NC 527a_100102657272_100013243528 [0,3,0,0,0,0|0,0,0]=3 19552 B13R1.3088 C#Cc1ccc(cc1Cl)C(=O)CC 1458a_100014797261_100000210202 [0,3,0,0,0,0|1,0,0]=4 19553 B13R1.3088 C#Cc1ccc(cc1Cl)C(=O)CF 1458a_100014797261_100015361967 [0,3,0,0,0,0|1,0,0]=4 19554 B13R1.3088 C#Cc1ccc(cc1Cl)C(=O)NC 11a_106832991635_100014797261 [0,3,0,0,0,0|1,0,0]=4 19555 B13R1.3088 C#Cc1ccc(cc1Cl)C(=O)NC 1626a_100102657272_100014797261 [0,3,0,0,0,0|1,0,0]=4 19556 B13R1.3088 C#Cc1ccc(cc1Cl)C(=O)NC 527a_100102657272_100014797261 [0,3,0,0,0,0|1,0,0]=4 19557 B13R1.3088 C=Cc1ccc(cc1Br)C(=O)OC 271570a_100011290941_100011294788 [0,3,0,0,0,0|1,0,0]=4 19558 B13R1.3088 C=Cc1ccc(cc1C)C(=O)CC 271570a_100011290941_200012349626 [0,3,0,0,0,0|0,0,0]=3 19559 B13R1.3088 C=Cc1ccc(cc1C)C(=O)NC 271570a_100011290941_200013065384 [0,3,0,0,0,0|0,0,0]=3 19560 B13R1.3088 C=Cc1ccc(cc1C)C(=O)NN 271570a_100011290941_100012339724 [0,3,0,0,0,0|1,0,0]=4 19561 B13R1.3088 C=Cc1ccc(cc1C)C(=O)OC 271570a_100011290941_100011215878 [0,3,0,0,0,0|0,0,0]=3 19562 B13R1.3088 C=Cc1ccc(cc1Cl)C(=O)OC 271570a_100011290941_100012356344 [0,3,0,0,0,0|1,0,0]=4 19563 B13R1.3088 C=Cc1ccc(cc1F)C(=O)CN 271570a_100011290941_100016989600 [0,3,0,0,0,0|1,0,0]=4 19564 B13R1.3088 C=Cc1ccc(cc1F)C(=O)OC 271570a_100011290941_100000703229 [0,3,0,0,0,0|1,0,0]=4 19565 B13R1.3088 C=Cc1ccc(cc1N)C(=O)OC 271570a_100011290941_100011450966 [0,3,0,0,0,0|1,0,0]=4 19566 B13R1.3088 C=Cc1ccc(cc1O)C(=O)OC 271570a_100011290941_100012350776 [0,3,0,0,0,0|1,0,0]=4 19567 B13R1.3088 C=Cc1ccc(nc1C)C(=O)OC 271570a_100011290941_100010207261 [0,3,0,0,0,0|1,0,0]=4 19568 B13R1.3088 C=Cc1cnc(cc1C)C(=O)OC 271570a_100011290941_100010080863 [0,3,0,0,0,0|1,0,0]=4 19569 B13R1.3088 C=Cc1ncc(cc1C)C(=O)OC 271570a_100011290941_100009862495 [0,3,0,0,0,0|1,0,0]=4 19570 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_100000210202 [0,3,0,0,0,0|1,0,0]=4 19571 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)CC 1458a_100012340589_100000210202 [0,3,0,0,0,0|1,0,0]=4 19572 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)OC 1458a_100000187947_100000210202 [0,3,0,0,0,0|1,0,0]=4 19573 B13R1.3088 CCC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_100000210202 [0,3,0,0,0,0|0,0,0]=3 19574 B13R1.3088 CCC(=O)c1ccc(c(c1)C)OC 1458a_100011202886_100000210202 [0,3,0,0,0,0|0,0,0]=3 19575 B13R1.3088 CCC(=O)c1ccc(c(c1)C)SC 62a_200000210301_200012349626 [0,3,0,0,0,0|0,0,0]=3 19576 B13R1.3088 CCC(=O)c1ccc(c(c1)C)SC 62a_200012349626_200000210301 [0,3,0,0,0,0|0,0,0]=3 19577 B13R1.3088 CCC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200012349626_200025704644 [0,3,0,0,0,0|0,0,0]=3 19578 B13R1.3088 CCC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_200012349626 [0,3,0,0,0,0|0,0,0]=3 19579 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_100000210202 [0,3,0,0,0,0|1,0,0]=4 19580 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 1458a_100000188346_100000210202 [0,3,0,0,0,0|1,0,0]=4 19581 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 34a_100011218862_200000210301 [0,3,0,0,0,0|1,0,0]=4 19582 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 7a_100011218862_200000210301 [0,3,0,0,0,0|1,0,0]=4 19583 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100011218862_200025704644 [0,3,0,0,0,0|1,0,0]=4 19584 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100011218862_200025704644 [0,3,0,0,0,0|1,0,0]=4 19585 B13R1.3088 CCC(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_100000210202 [0,3,0,0,0,0|1,0,0]=4 19586 B13R1.3088 CCC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_100000210202 [0,3,0,0,0,0|1,0,0]=4 19587 B13R1.3088 CCC(=O)c1ccc(c(c1)F)OC 1458a_100000186160_100000210202 [0,3,0,0,0,0|1,0,0]=4 19588 B13R1.3088 CCC(=O)c1ccc(c(c1)I)OC 1458a_100000188716_100000210202 [0,3,0,0,0,0|1,0,0]=4 19589 B13R1.3088 CCC(=O)c1ccc(c(c1)O)CC 1458a_100000089006_100000210202 [0,3,0,0,0,0|1,0,0]=4 19590 B13R1.3088 CCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210202 [0,3,0,0,0,0|1,0,0]=4 19591 B13R1.3088 CCc1ccc(cc1Br)C(=O)CF 1458a_100012340589_100015361967 [0,3,0,0,0,0|1,0,0]=4 19592 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 11a_106832991635_100012340589 [0,3,0,0,0,0|1,0,0]=4 19593 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 1626a_100102657272_100012340589 [0,3,0,0,0,0|1,0,0]=4 19594 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 240690a_100102657272_100012340589 [0,3,0,0,0,0|1,0,0]=4 19595 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 527a_100102657272_100012340589 [0,3,0,0,0,0|1,0,0]=4 19596 B13R1.3088 CCc1ccc(cc1O)C(=O)CF 1458a_100000089006_100015361967 [0,3,0,0,0,0|1,0,0]=4 19597 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 240690a_100102657272_100000089006 [0,3,0,0,0,0|1,0,0]=4 19598 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 527a_100102657272_100000089006 [0,3,0,0,0,0|1,0,0]=4 19599 B13R1.3088 CCc1ccc(cc1O)C(=O)OC 271570a_203496583355_200012360130 [0,3,0,0,0,0|1,0,0]=4 19600 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)C#N 11a_106832991635_100012355661 [0,3,0,0,0,0|1,0,0]=4 19601 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)C#N 1626a_100102657272_100012355661 [0,3,0,0,0,0|1,0,0]=4 19602 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)C#N 240690a_100102657272_100012355661 [0,3,0,0,0,0|1,0,0]=4 19603 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)C#N 527a_100102657272_100012355661 [0,3,0,0,0,0|1,0,0]=4 19604 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 11a_106832991635_100000187947 [0,3,0,0,0,0|1,0,0]=4 19605 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 1626a_100102657272_100000187947 [0,3,0,0,0,0|1,0,0]=4 19606 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 240690a_100102657272_100000187947 [0,3,0,0,0,0|1,0,0]=4 19607 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 527a_100102657272_100000187947 [0,3,0,0,0,0|1,0,0]=4 19608 B13R1.3088 CNC(=O)c1ccc(c(c1)C)C#N 11a_106832991635_100012180287 [0,3,0,0,0,0|0,0,0]=3 19609 B13R1.3088 CNC(=O)c1ccc(c(c1)C)C#N 1626a_100102657272_100012180287 [0,3,0,0,0,0|0,0,0]=3 19610 B13R1.3088 CNC(=O)c1ccc(c(c1)C)C#N 240690a_100102657272_100012180287 [0,3,0,0,0,0|0,0,0]=3 19611 B13R1.3088 CNC(=O)c1ccc(c(c1)C)C#N 527a_100102657272_100012180287 [0,3,0,0,0,0|0,0,0]=3 19612 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 2230a_100000739472_200000210301 [0,3,0,0,0,0|0,0,0]=3 19613 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 27a_100102657272_200013065384 [0,3,0,0,0,0|0,0,0]=3 19614 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 34a_100000739472_200000210301 [0,3,0,0,0,0|0,0,0]=3 19615 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 7a_100000739472_200000210301 [0,3,0,0,0,0|0,0,0]=3 19616 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 2230a_100000739472_200025704644 [0,3,0,0,0,0|0,0,0]=3 19617 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 34a_100000739472_200025704644 [0,3,0,0,0,0|0,0,0]=3 19618 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 7a_100000739472_200025704644 [0,3,0,0,0,0|0,0,0]=3 19619 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 11a_106832991635_100011202886 [0,3,0,0,0,0|0,0,0]=3 19620 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 1626a_100102657272_100011202886 [0,3,0,0,0,0|0,0,0]=3 19621 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 240690a_100102657272_100011202886 [0,3,0,0,0,0|0,0,0]=3 19622 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 527a_100102657272_100011202886 [0,3,0,0,0,0|0,0,0]=3 19623 B13R1.3088 CNC(=O)c1ccc(c(c1)C)SC 62a_200000210301_200013065384 [0,3,0,0,0,0|0,0,0]=3 19624 B13R1.3088 CNC(=O)c1ccc(c(c1)C)SC 62a_200013065384_200000210301 [0,3,0,0,0,0|0,0,0]=3 19625 B13R1.3088 CNC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200013065384_200025704644 [0,3,0,0,0,0|0,0,0]=3 19626 B13R1.3088 CNC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_200013065384 [0,3,0,0,0,0|0,0,0]=3 19627 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)C#N 11a_106832991635_100000694585 [0,3,0,0,0,0|1,0,0]=4 19628 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)C#N 1626a_100102657272_100000694585 [0,3,0,0,0,0|1,0,0]=4 19629 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)C#N 527a_100102657272_100000694585 [0,3,0,0,0,0|1,0,0]=4 19630 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 11a_106832991635_100000188346 [0,3,0,0,0,0|1,0,0]=4 19631 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 1626a_100102657272_100000188346 [0,3,0,0,0,0|1,0,0]=4 19632 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 240690a_100102657272_100000188346 [0,3,0,0,0,0|1,0,0]=4 19633 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 527a_100102657272_100000188346 [0,3,0,0,0,0|1,0,0]=4 19634 B13R1.3088 CNC(=O)c1ccc(c(c1)F)C#N 11a_106832991635_100011217213 [0,3,0,0,0,0|1,0,0]=4 19635 B13R1.3088 CNC(=O)c1ccc(c(c1)F)C#N 1626a_100102657272_100011217213 [0,3,0,0,0,0|1,0,0]=4 19636 B13R1.3088 CNC(=O)c1ccc(c(c1)F)C#N 527a_100102657272_100011217213 [0,3,0,0,0,0|1,0,0]=4 19637 B13R1.3088 CNC(=O)c1ccc(c(c1)F)CO 1626a_100102657272_100000687192 [0,3,0,0,0,0|1,0,0]=4 19638 B13R1.3088 CNC(=O)c1ccc(c(c1)F)CO 240690a_100102657272_100000687192 [0,3,0,0,0,0|1,0,0]=4 19639 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 11a_106832991635_100000186160 [0,3,0,0,0,0|1,0,0]=4 19640 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 1626a_100102657272_100000186160 [0,3,0,0,0,0|1,0,0]=4 19641 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 240690a_100102657272_100000186160 [0,3,0,0,0,0|1,0,0]=4 19642 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 527a_100102657272_100000186160 [0,3,0,0,0,0|1,0,0]=4 19643 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 11a_106832991635_100000188716 [0,3,0,0,0,0|1,0,0]=4 19644 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 1626a_100102657272_100000188716 [0,3,0,0,0,0|1,0,0]=4 19645 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 240690a_100102657272_100000188716 [0,3,0,0,0,0|1,0,0]=4 19646 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 527a_100102657272_100000188716 [0,3,0,0,0,0|1,0,0]=4 19647 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 240690a_100102657272_100000766810 [0,3,0,0,0,0|1,0,0]=4 19648 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 527a_100102657272_100000766810 [0,3,0,0,0,0|1,0,0]=4 19649 B13R1.3088 CNc1ccc(cc1C)C(=O)NN 27a_100102657272_100012339724 [0,3,0,0,0,0|1,0,0]=4 19650 B13R1.3088 CNc1ncc(cc1C)C(=O)OC 27a_100102657272_100009862495 [0,3,0,0,0,0|1,0,0]=4 19651 B13R1.3088 COC(=O)c1cc(c(cn1)SC)C 62a_100010080863_200000210301 [0,3,0,0,0,0|1,0,0]=4 19652 B13R1.3088 COC(=O)c1cc(c(cn1)SC)C 62a_200000210301_100010080863 [0,3,0,0,0,0|1,0,0]=4 19653 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])C 62a_100010080863_200025704644 [0,3,0,0,0,0|1,0,0]=4 19654 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])C 62a_200025704644_100010080863 [0,3,0,0,0,0|1,0,0]=4 19655 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 34a_100000216328_200000210301 [0,3,0,0,0,0|1,0,0]=4 19656 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 7a_100000216328_200000210301 [0,3,0,0,0,0|1,0,0]=4 19657 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100000216328_200025704644 [0,3,0,0,0,0|1,0,0]=4 19658 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100000216328_200025704644 [0,3,0,0,0,0|1,0,0]=4 19659 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_100011294788_200000210301 [0,3,0,0,0,0|1,0,0]=4 19660 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_200000210301_100011294788 [0,3,0,0,0,0|1,0,0]=4 19661 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100011294788_200025704644 [0,3,0,0,0,0|1,0,0]=4 19662 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100011294788 [0,3,0,0,0,0|1,0,0]=4 19663 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 34a_100011997373_200000210301 [0,3,0,0,0,0|0,0,0]=3 19664 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 7a_100011997373_200000210301 [0,3,0,0,0,0|0,0,0]=3 19665 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100011997373_200025704644 [0,3,0,0,0,0|0,0,0]=3 19666 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100011997373_200025704644 [0,3,0,0,0,0|0,0,0]=3 19667 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_100011215878_200000210301 [0,3,0,0,0,0|0,0,0]=3 19668 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_200000210301_100011215878 [0,3,0,0,0,0|0,0,0]=3 19669 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100011215878_200025704644 [0,3,0,0,0,0|0,0,0]=3 19670 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011215878 [0,3,0,0,0,0|0,0,0]=3 19671 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 34a_100000151454_200000210301 [0,3,0,0,0,0|1,0,0]=4 19672 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 7a_100000151454_200000210301 [0,3,0,0,0,0|1,0,0]=4 19673 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000151454_200025704644 [0,3,0,0,0,0|1,0,0]=4 19674 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000151454_200025704644 [0,3,0,0,0,0|1,0,0]=4 19675 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_100012356344_200000210301 [0,3,0,0,0,0|1,0,0]=4 19676 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_200000210301_100012356344 [0,3,0,0,0,0|1,0,0]=4 19677 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_100012356344_200025704644 [0,3,0,0,0,0|1,0,0]=4 19678 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_100012356344 [0,3,0,0,0,0|1,0,0]=4 19679 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 34a_100000075456_200000210301 [0,3,0,0,0,0|1,0,0]=4 19680 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 7a_100000075456_200000210301 [0,3,0,0,0,0|1,0,0]=4 19681 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000075456_200025704644 [0,3,0,0,0,0|1,0,0]=4 19682 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000075456_200025704644 [0,3,0,0,0,0|1,0,0]=4 19683 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_100000703229_200000210301 [0,3,0,0,0,0|1,0,0]=4 19684 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_200000210301_100000703229 [0,3,0,0,0,0|1,0,0]=4 19685 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000703229_200025704644 [0,3,0,0,0,0|1,0,0]=4 19686 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000703229 [0,3,0,0,0,0|1,0,0]=4 19687 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 34a_100010162523_200000210301 [0,3,0,0,0,0|1,0,0]=4 19688 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 7a_100010162523_200000210301 [0,3,0,0,0,0|1,0,0]=4 19689 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 34a_100010162523_200025704644 [0,3,0,0,0,0|1,0,0]=4 19690 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 7a_100010162523_200025704644 [0,3,0,0,0,0|1,0,0]=4 19691 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 34a_100000724433_200000210301 [0,3,0,0,0,0|1,0,0]=4 19692 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 7a_100000724433_200000210301 [0,3,0,0,0,0|1,0,0]=4 19693 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000724433_200025704644 [0,3,0,0,0,0|1,0,0]=4 19694 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000724433_200025704644 [0,3,0,0,0,0|1,0,0]=4 19695 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_100011450966_200000210301 [0,3,0,0,0,0|1,0,0]=4 19696 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_200000210301_100011450966 [0,3,0,0,0,0|1,0,0]=4 19697 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100011450966_200025704644 [0,3,0,0,0,0|1,0,0]=4 19698 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_200025704644_100011450966 [0,3,0,0,0,0|1,0,0]=4 19699 B13R1.3088 COC(=O)c1ccc(c(c1)O)C#N 271570a_203496583355_100009861381 [0,3,0,0,0,0|1,0,0]=4 19700 B13R1.3088 COC(=O)c1ccc(c(c1)O)C=O 271570a_203496583355_100012179231 [0,3,0,0,0,0|1,0,0]=4 19701 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO 271570a_203496583355_100012355398 [0,3,0,0,0,0|1,0,0]=4 19702 B13R1.3088 COC(=O)c1ccc(c(c1)O)OC 271570a_203496583355_100000189012 [0,3,0,0,0,0|1,0,0]=4 19703 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_100012350776_200000210301 [0,3,0,0,0,0|1,0,0]=4 19704 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_200000210301_100012350776 [0,3,0,0,0,0|1,0,0]=4 19705 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_100012350776_200025704644 [0,3,0,0,0,0|1,0,0]=4 19706 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012350776 [0,3,0,0,0,0|1,0,0]=4 19707 B13R1.3088 COC(=O)c1ccc(c(n1)C)SC 62a_100010207261_200000210301 [0,3,0,0,0,0|1,0,0]=4 19708 B13R1.3088 COC(=O)c1ccc(c(n1)C)SC 62a_200000210301_100010207261 [0,3,0,0,0,0|1,0,0]=4 19709 B13R1.3088 COC(=O)c1ccc(c(n1)C)S[13CH3] 62a_100010207261_200025704644 [0,3,0,0,0,0|1,0,0]=4 19710 B13R1.3088 COC(=O)c1ccc(c(n1)C)S[13CH3] 62a_200025704644_100010207261 [0,3,0,0,0,0|1,0,0]=4 19711 B13R1.3088 COC(=O)c1cnc(c(c1)C)SC 62a_200000210301_100009862495 [0,3,0,0,0,0|1,0,0]=4 19712 B13R1.3088 COC(=O)c1cnc(c(c1)C)SC 62a_200010136688_200000210301 [0,3,0,0,0,0|1,0,0]=4 19713 B13R1.3088 COC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200010136688_200025704644 [0,3,0,0,0,0|1,0,0]=4 19714 B13R1.3088 COC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009862495 [0,3,0,0,0,0|1,0,0]=4 19715 B13R1.3088 COc1ccc(cc1Br)C(=O)CF 1458a_100000187947_100015361967 [0,3,0,0,0,0|1,0,0]=4 19716 B13R1.3088 COc1ccc(cc1C)C(=O)CF 1458a_100011202886_100015361967 [0,3,0,0,0,0|0,0,0]=3 19717 B13R1.3088 COc1ccc(cc1Cl)C(=O)CCl 7a_200010170092_200000210301 [0,3,0,0,0,0|1,0,0]=4 19718 B13R1.3088 COc1ccc(cc1Cl)C(=O)CF 1458a_100000188346_100015361967 [0,3,0,0,0,0|1,0,0]=4 19719 B13R1.3088 COc1ccc(cc1F)C(=O)CF 1458a_100000186160_100015361967 [0,3,0,0,0,0|1,0,0]=4 19720 B13R1.3088 COc1ccc(cc1I)C(=O)CF 1458a_100000188716_100015361967 [0,3,0,0,0,0|1,0,0]=4 19721 B13R1.3088 COc1ccc(cc1O)C(=O)CF 1458a_100000766810_100015361967 [0,3,0,0,0,0|1,0,0]=4 19722 B13R1.3088 CSc1ccc(cc1C)C(=O)NN 62a_100012339724_200000210301 [0,3,0,0,0,0|1,0,0]=4 19723 B13R1.3088 CSc1ccc(cc1C)C(=O)NN 62a_200000210301_100012339724 [0,3,0,0,0,0|1,0,0]=4 19724 B13R1.3088 CSc1ccc(cc1F)C(=O)CN 62a_100016989600_200000210301 [0,3,0,0,0,0|1,0,0]=4 19725 B13R1.3088 CSc1ccc(cc1F)C(=O)CN 62a_200000210301_100016989600 [0,3,0,0,0,0|1,0,0]=4 19726 B13R1.3088 Cc1cc(ccc1C#N)C(=O)CF 1458a_100012180287_100015361967 [0,3,0,0,0,0|0,0,0]=3 19727 B13R1.3088 Cc1cc(ccc1S[13CH3])C(=O)NN 62a_100012339724_200025704644 [0,3,0,0,0,0|1,0,0]=4 19728 B13R1.3088 Cc1cc(ccc1S[13CH3])C(=O)NN 62a_200025704644_100012339724 [0,3,0,0,0,0|1,0,0]=4 19729 B13R1.3088 N#Cc1ccc(cc1Br)C(=O)CF 1458a_100012355661_100015361967 [0,3,0,0,0,0|1,0,0]=4 19730 B13R1.3088 N#Cc1ccc(cc1Cl)C(=O)CF 1458a_100000694585_100015361967 [0,3,0,0,0,0|1,0,0]=4 19731 B13R1.3088 N#Cc1ccc(cc1F)C(=O)CF 1458a_100011217213_100015361967 [0,3,0,0,0,0|1,0,0]=4 19732 B13R1.3088 O=C(CF)c1ccc(c(c1)F)CO 1458a_100000687192_100015361967 [0,3,0,0,0,0|1,0,0]=4 19733 B13R1.3088 [13CH3]Oc1ccc(cc1Cl)C(=O)CCl 7a_200010170092_200025704644 [0,3,0,0,0,0|1,0,0]=4 19734 B13R1.3088 [13CH3]Sc1ccc(cc1F)C(=O)CN 62a_100016989600_200025704644 [0,3,0,0,0,0|1,0,0]=4 19735 B13R1.3088 [13CH3]Sc1ccc(cc1F)C(=O)CN 62a_200025704644_100016989600 [0,3,0,0,0,0|1,0,0]=4 19736 B13R1.3091 C#Cc1cc(ccc1CC)C(=O)C 1458a_200134618274_200000210301 [0,3,0,0,0,0|0,0,1]=4 19737 B13R1.3091 C#Cc1cc(ccc1CC)C(=O)[13CH3] 1458a_200134618274_200025704644 [0,3,0,0,0,0|0,0,1]=4 19738 B13R1.3091 C=C(C)c1ccc(c(c1)CC)C=O 271570a_100000694244_100010209654 [0,3,0,0,0,0|1,0,0]=4 19739 B13R1.3091 C=C(C)c1ccc(c(c1)CC)NN 271570a_100000694244_100000700371 [0,3,0,0,0,0|1,0,0]=4 19740 B13R1.3091 C=C(C)c1ccc(c(c1)CC)OC 271570a_100000694244_200010179862 [0,3,0,0,0,0|1,0,0]=4 19741 B13R1.3091 C=C(C)c1ccc(c(c1)CN)OC 271570a_100000694244_100000690498 [0,3,0,0,0,0|1,0,0]=4 19742 B13R1.3091 C=C(C)c1ccc(c(c1)CO)CC 271570a_100000694244_100010766240 [0,3,0,0,0,0|1,0,0]=4 19743 B13R1.3091 C=C(C)c1ccc(c(c1)CO)CO 271570a_100000694244_100000719600 [0,3,0,0,0,0|1,0,0]=4 19744 B13R1.3091 C=C(C)c1ccc(c(c1)CO)OC 271570a_100000694244_100000204679 [0,3,0,0,0,0|1,0,0]=4 19745 B13R1.3091 C=C(C)c1ccc(c(c1)NC)C#N 271570a_100000694244_200012356631 [0,3,0,0,0,0|1,0,0]=4 19746 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C#N 271570a_100000694244_100000694671 [0,3,0,0,0,0|1,0,0]=4 19747 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C=O 271570a_100000694244_100000697075 [0,3,0,0,0,0|1,0,0]=4 19748 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CC 271570a_100000694244_200010710398 [0,3,0,0,0,0|1,0,0]=4 19749 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CO 271570a_100000694244_100011277633 [0,3,0,0,0,0|1,0,0]=4 19750 B13R1.3091 C=C(C)c1ccc(c(c1)OC)OC 271570a_100000694244_100000187503 [0,3,0,0,0,0|1,0,0]=4 19751 B13R1.3091 C=C(C)c1ccc(c(c1)OC)SC 271570a_100000694244_200011001119 [0,3,0,0,0,0|1,0,0]=4 19752 B13R1.3091 C=C(C)c1ccc(c(c1)SC)OC 271570a_100000694244_200009892704 [0,3,0,0,0,0|1,0,0]=4 19753 B13R1.3091 C=Cc1cc(ccc1OC)C(=O)C 271570a_100011290941_100000185153 [0,3,0,0,0,0|0,0,1]=4 19754 B13R1.3091 C=Cc1ccc(cc1C#N)C(=O)C 271570a_100011290941_100010125495 [0,3,0,0,0,0|0,0,1]=4 19755 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)C 271570a_100011290941_100010110075 [0,3,0,0,0,0|0,0,0]=3 19756 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)N 271570a_100011290941_100009817049 [0,3,0,0,0,0|1,0,0]=4 19757 B13R1.3091 CC(=O)c1ccc(c(c1)C#N)S[13CH3] 62a_200025704644_100010125495 [0,3,0,0,0,0|0,0,1]=4 19758 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 34a_100000010293_200025704644 [0,3,0,0,0,0|0,0,0]=3 19759 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 7a_100000010293_200025704644 [0,3,0,0,0,0|0,0,0]=3 19760 B13R1.3091 CC(=O)c1ccc(c(c1)CO)O[13CH3] 7a_100000025453_200025704644 [0,3,0,0,0,0|0,0,0]=3 19761 B13R1.3091 CNc1cc(ccc1OC)C(=O)N 34a_100000740584_200000210301 [0,3,0,0,0,0|1,0,0]=4 19762 B13R1.3091 CNc1ccc(cc1C#N)C(=O)C 27a_100102657272_100010125495 [0,3,0,0,0,0|0,0,1]=4 19763 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 27a_100102657272_100009817049 [0,3,0,0,0,0|1,0,0]=4 19764 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 34a_100011850419_200000210301 [0,3,0,0,0,0|1,0,0]=4 19765 B13R1.3091 COc1cc(ccc1C#N)C(=O)C 1458a_100009879710_200000210301 [0,3,0,0,0,0|0,0,0]=3 19766 B13R1.3091 COc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100009879710_200025704644 [0,3,0,0,0,0|0,0,0]=3 19767 B13R1.3091 COc1cc(ccc1N[13CH3])C(=O)N 34a_100011850419_200025704644 [0,3,0,0,0,0|1,0,0]=4 19768 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 34a_100000186468_200025704644 [0,3,0,0,0,0|0,0,0]=3 19769 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 7a_100000186468_200025704644 [0,3,0,0,0,0|0,0,0]=3 19770 B13R1.3091 COc1cc(ccc1SC)C(=O)C 62a_100010110075_200000210301 [0,3,0,0,0,0|0,0,0]=3 19771 B13R1.3091 COc1cc(ccc1SC)C(=O)N 62a_100009817049_200000210301 [0,3,0,0,0,0|1,0,0]=4 19772 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)C 62a_100010110075_200025704644 [0,3,0,0,0,0|0,0,0]=3 19773 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)N 62a_100009817049_200025704644 [0,3,0,0,0,0|1,0,0]=4 19774 B13R1.3091 COc1ccc(cc1C#N)C(=O)C 1458a_100011999887_200000210301 [0,3,0,0,0,0|0,0,1]=4 19775 B13R1.3091 COc1ccc(cc1C#N)C(=O)[13CH3] 1458a_100011999887_200025704644 [0,3,0,0,0,0|0,0,1]=4 19776 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 34a_100000010293_200000210301 [0,3,0,0,0,0|0,0,0]=3 19777 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 7a_100000010293_200000210301 [0,3,0,0,0,0|0,0,0]=3 19778 B13R1.3091 COc1ccc(cc1CO)C(=O)C 7a_100000025453_200000210301 [0,3,0,0,0,0|0,0,0]=3 19779 B13R1.3091 COc1ccc(cc1N[13CH3])C(=O)N 34a_100000740584_200025704644 [0,3,0,0,0,0|1,0,0]=4 19780 B13R1.3091 COc1ccc(cc1OC)C(=O)C 1458a_100000211223_200000210301 [0,3,0,0,0,0|0,0,0]=3 19781 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000186468_200000210301 [0,3,0,0,0,0|0,0,0]=3 19782 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000732934_200000210301 [0,3,0,0,0,0|0,0,0]=3 19783 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000186468_200000210301 [0,3,0,0,0,0|0,0,0]=3 19784 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000732934_200000210301 [0,3,0,0,0,0|0,0,0]=3 19785 B13R1.3091 COc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000211223_200025704644 [0,3,0,0,0,0|0,0,0]=3 19786 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 34a_100000732934_200025704644 [0,3,0,0,0,0|0,0,0]=3 19787 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 7a_100000732934_200025704644 [0,3,0,0,0,0|0,0,0]=3 19788 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_100000185153_200000210301 [0,3,0,0,0,0|0,0,0]=3 19789 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_200000210301_100000039561 [0,3,0,0,0,0|0,0,0]=3 19790 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_100000185153_200025704644 [0,3,0,0,0,0|0,0,0]=3 19791 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_200025704644_100000039561 [0,3,0,0,0,0|0,0,0]=3 19792 B13R1.3091 CSc1ccc(cc1C#N)C(=O)C 62a_200000210301_100010125495 [0,3,0,0,0,0|0,0,1]=4 19793 B13R1.3096 C=C(C)c1ccc(c(c1C)C)OC 271570a_100000694244_100000049725 [0,3,0,0,0,0|1,0,0]=4 19794 B13R1.3096 C=Cc1ccc(c(c1F)F)C(=O)C 271570a_100011290941_100010174444 [0,3,0,0,0,0|1,0,0]=4 19795 B13R1.3096 CC(=O)c1ccc(c(c1F)F)C#N 1458a_100009910395_200000210301 [0,3,0,0,0,0|1,0,0]=4 19796 B13R1.3096 CC(=O)c1ccc(c(c1F)F)S[13CH3] 62a_100010174444_200025704644 [0,3,0,0,0,0|1,0,0]=4 19797 B13R1.3096 CC(=O)c1ccc(c(c1F)F)S[13CH3] 62a_200025704644_100010174444 [0,3,0,0,0,0|1,0,0]=4 19798 B13R1.3096 COc1ccc(c(c1C)C)C(=O)C 1458a_200000082569_200000210301 [0,3,0,0,0,0|0,0,0]=3 19799 B13R1.3096 COc1ccc(c(c1C)C)C(=O)[13CH3] 1458a_200000082569_200025704644 [0,3,0,0,0,0|0,0,0]=3 19800 B13R1.3096 COc1ccc(c(c1F)F)C(=O)C 1458a_100000061877_200000210301 [0,3,0,0,0,0|1,0,0]=4 19801 B13R1.3096 COc1ccc(c(c1F)F)C(=O)[13CH3] 1458a_100000061877_200025704644 [0,3,0,0,0,0|1,0,0]=4 19802 B13R1.3096 COc1ccc(c(c1O)N)C(=O)C 271570a_203496583355_100010236346 [0,3,0,0,0,0|1,0,0]=4 19803 B13R1.3096 COc1ccc(c(c1O)O)C(=O)C 1458a_100000045701_200000210301 [0,3,0,0,0,0|1,0,0]=4 19804 B13R1.3096 COc1ccc(c(c1O)O)C(=O)[13CH3] 1458a_100000045701_200025704644 [0,3,0,0,0,0|1,0,0]=4 19805 B13R1.3096 CSc1ccc(c(c1F)F)C(=O)C 62a_100010174444_200000210301 [0,3,0,0,0,0|1,0,0]=4 19806 B13R1.3096 CSc1ccc(c(c1F)F)C(=O)C 62a_200000210301_100010174444 [0,3,0,0,0,0|1,0,0]=4 19807 B13R1.3096 [13CH3]C(=O)c1ccc(c(c1F)F)C#N 1458a_100009910395_200025704644 [0,3,0,0,0,0|1,0,0]=4 19808 B13R1.3380 C=C(C)c1cc(c(c(c1)Br)OC)C 271570a_100000694244_100010997178 [0,3,0,0,0,0|1,0,0]=4 19809 B13R1.3380 C=C(C)c1cc(c(c(c1)C)C#N)C 271570a_100000694244_100000739582 [0,3,0,0,0,0|1,0,0]=4 19810 B13R1.3380 C=C(C)c1cc(c(c(c1)C)C=O)C 271570a_100000694244_100010238521 [0,3,0,0,0,0|1,0,0]=4 19811 B13R1.3380 C=C(C)c1cc(c(c(c1)C)CO)C 271570a_100000694244_100010128451 [0,3,0,0,0,0|1,0,0]=4 19812 B13R1.3380 C=C(C)c1cc(c(c(c1)C)NN)C 271570a_100000694244_100020646918 [0,3,0,0,0,0|1,0,0]=4 19813 B13R1.3380 C=C(C)c1cc(c(c(c1)C)OC)C 271570a_100000694244_100000211903 [0,3,0,0,0,0|1,0,0]=4 19814 B13R1.3380 C=C(C)c1cc(c(c(c1)F)C#N)C 271570a_100000694244_100010282652 [0,3,0,0,0,0|1,0,0]=4 19815 B13R1.3380 C=Cc1c(cc(cc1C)C(=O)N)C 271570a_100011290941_200009816865 [0,3,0,0,0,0|1,0,0]=4 19816 B13R1.3380 C=Cc1c(cc(cc1F)C(=O)C)F 271570a_100011290941_100010371124 [0,3,0,0,0,0|1,0,0]=4 19817 B13R1.3380 CC(=O)c1cc(c(c(c1)Br)O[13CH3])Br 7a_100000186470_200025704644 [0,3,0,0,0,0|1,0,0]=4 19818 B13R1.3380 CC(=O)c1cc(c(c(c1)C)O[13CH3])C 34a_100011934020_200025704644 [0,3,0,0,0,0|0,0,0]=3 19819 B13R1.3380 CC(=O)c1cc(c(c(c1)C)O[13CH3])C 7a_100011934020_200025704644 [0,3,0,0,0,0|0,0,0]=3 19820 B13R1.3380 CC(=O)c1cc(c(c(c1)Cl)O[13CH3])Cl 34a_100012337704_200025704644 [0,3,0,0,0,0|1,0,0]=4 19821 B13R1.3380 CC(=O)c1cc(c(c(c1)Cl)O[13CH3])Cl 7a_100012337704_200025704644 [0,3,0,0,0,0|1,0,0]=4 19822 B13R1.3380 CC(=O)c1cc(c(c(c1)F)CO)F 1458a_200009844098_200000210301 [0,3,0,0,0,0|1,0,0]=4 19823 B13R1.3380 CC(=O)c1cc(c(c(c1)F)S[13CH3])F 62a_100010371124_200025704644 [0,3,0,0,0,0|1,0,0]=4 19824 B13R1.3380 CC(=O)c1cc(c(c(c1)F)S[13CH3])F 62a_200025704644_100010371124 [0,3,0,0,0,0|1,0,0]=4 19825 B13R1.3380 CNc1c(cc(cc1C)C(=O)N)C 34a_100000068766_200000210301 [0,3,0,0,0,0|1,0,0]=4 19826 B13R1.3380 CNc1c(cc(cc1C)C(=O)N)C 7a_100000068766_200000210301 [0,3,0,0,0,0|1,0,0]=4 19827 B13R1.3380 COc1c(cc(cc1Br)C(=O)C)Br 1458a_100012337705_200000210301 [0,3,0,0,0,0|1,0,0]=4 19828 B13R1.3380 COc1c(cc(cc1Br)C(=O)C)Br 7a_100000186470_200000210301 [0,3,0,0,0,0|1,0,0]=4 19829 B13R1.3380 COc1c(cc(cc1Br)C(=O)C)O 1458a_100010760816_200000210301 [0,3,0,0,0,0|1,0,0]=4 19830 B13R1.3380 COc1c(cc(cc1Br)C(=O)[13CH3])Br 1458a_100012337705_200025704644 [0,3,0,0,0,0|1,0,0]=4 19831 B13R1.3380 COc1c(cc(cc1Br)C(=O)[13CH3])O 1458a_100010760816_200025704644 [0,3,0,0,0,0|1,0,0]=4 19832 B13R1.3380 COc1c(cc(cc1C)C(=O)C)C 1458a_100000696790_200000210301 [0,3,0,0,0,0|0,0,0]=3 19833 B13R1.3380 COc1c(cc(cc1C)C(=O)C)C 34a_100011934020_200000210301 [0,3,0,0,0,0|0,0,0]=3 19834 B13R1.3380 COc1c(cc(cc1C)C(=O)C)C 7a_100011934020_200000210301 [0,3,0,0,0,0|0,0,0]=3 19835 B13R1.3380 COc1c(cc(cc1C)C(=O)[13CH3])C 1458a_100000696790_200025704644 [0,3,0,0,0,0|0,0,0]=3 19836 B13R1.3380 COc1c(cc(cc1Cl)C(=O)C)Cl 1458a_100000013545_200000210301 [0,3,0,0,0,0|1,0,0]=4 19837 B13R1.3380 COc1c(cc(cc1Cl)C(=O)C)Cl 34a_100012337704_200000210301 [0,3,0,0,0,0|1,0,0]=4 19838 B13R1.3380 COc1c(cc(cc1Cl)C(=O)C)Cl 7a_100012337704_200000210301 [0,3,0,0,0,0|1,0,0]=4 19839 B13R1.3380 COc1c(cc(cc1Cl)C(=O)C)F 1458a_100011356498_200000210301 [0,3,0,0,0,0|1,0,0]=4 19840 B13R1.3380 COc1c(cc(cc1Cl)C(=O)[13CH3])Cl 1458a_100000013545_200025704644 [0,3,0,0,0,0|1,0,0]=4 19841 B13R1.3380 COc1c(cc(cc1Cl)C(=O)[13CH3])F 1458a_100011356498_200025704644 [0,3,0,0,0,0|1,0,0]=4 19842 B13R1.3380 COc1c(cc(cc1F)C(=O)C)F 1458a_100011216840_200000210301 [0,3,0,0,0,0|1,0,0]=4 19843 B13R1.3380 COc1c(cc(cc1F)C(=O)[13CH3])F 1458a_100011216840_200025704644 [0,3,0,0,0,0|1,0,0]=4 19844 B13R1.3380 COc1c(cc(cc1I)C(=O)C)F 1458a_100012920440_200000210301 [0,3,0,0,0,0|1,0,0]=4 19845 B13R1.3380 COc1c(cc(cc1I)C(=O)[13CH3])F 1458a_100012920440_200025704644 [0,3,0,0,0,0|1,0,0]=4 19846 B13R1.3380 COc1c(cc(cc1O)C(=O)C)O 1458a_100000073573_200000210301 [0,3,0,0,0,0|1,0,0]=4 19847 B13R1.3380 COc1c(cc(cc1O)C(=O)[13CH3])O 1458a_100000073573_200025704644 [0,3,0,0,0,0|1,0,0]=4 19848 B13R1.3380 CSc1c(cc(cc1C)C(=O)N)C 62a_200000210301_200009816865 [0,3,0,0,0,0|1,0,0]=4 19849 B13R1.3380 CSc1c(cc(cc1C)C(=O)N)C 62a_200009816865_200000210301 [0,3,0,0,0,0|1,0,0]=4 19850 B13R1.3380 CSc1c(cc(cc1F)C(=O)C)F 62a_100010371124_200000210301 [0,3,0,0,0,0|1,0,0]=4 19851 B13R1.3380 CSc1c(cc(cc1F)C(=O)C)F 62a_200000210301_100010371124 [0,3,0,0,0,0|1,0,0]=4 19852 B13R1.3380 Cc1cc(cc(c1N[13CH3])C)C(=O)N 34a_100000068766_200025704644 [0,3,0,0,0,0|1,0,0]=4 19853 B13R1.3380 Cc1cc(cc(c1N[13CH3])C)C(=O)N 7a_100000068766_200025704644 [0,3,0,0,0,0|1,0,0]=4 19854 B13R1.3380 Cc1cc(cc(c1S[13CH3])C)C(=O)N 62a_200009816865_200025704644 [0,3,0,0,0,0|1,0,0]=4 19855 B13R1.3380 Cc1cc(cc(c1S[13CH3])C)C(=O)N 62a_200025704644_200009816865 [0,3,0,0,0,0|1,0,0]=4 19856 B13R1.3380 [13CH3]C(=O)c1cc(c(c(c1)F)CO)F 1458a_200009844098_200025704644 [0,3,0,0,0,0|1,0,0]=4 19857 B13R1.13 C=C(C)c1cc(c(cn1)F)C(=O)C 271570a_100000694244_100000697832 [0,3,0,0,0,0|1,0,0]=4 19858 B13R1.13 C=C(C)c1cc(ccc1Br)C(=O)C 271570a_100000694244_100010146556 [0,3,0,0,0,0|0,0,0]=3 19859 B13R1.13 C=C(C)c1cc(ccc1C)C(=O)C 271570a_100000694244_100011934287 [0,3,0,0,0,0|0,0,0]=3 19860 B13R1.13 C=C(C)c1cc(ccc1C)C(=O)N 271570a_100000694244_100000186401 [0,3,0,0,0,0|1,0,0]=4 19861 B13R1.13 C=C(C)c1cc(ccc1F)C(=O)C 271570a_100000694244_100000239719 [0,3,0,0,0,0|0,0,0]=3 19862 B13R1.13 C=C(C)c1cc(ccc1F)C(=O)N 271570a_100000694244_100011202321 [0,3,0,0,0,0|1,0,0]=4 19863 B13R1.13 C=C(C)c1cc(ccc1F)C(C)O 271570a_100000694244_100011191524 [0,3,0,0,0,0|1,0,0]=4 19864 B13R1.13 C=C(C)c1cc(ccc1F)C(F)F 271570a_100000694244_100010188717 [0,3,0,0,0,0|1,0,0]=4 19865 B13R1.13 C=C(C)c1cc(ccc1F)[C@H](C)N 271570a_100000694244_100000753309 [0,3,0,0,0,0|1,0,0]=4 19866 B13R1.13 C=C(C)c1cc(ccc1N)C(=O)C 271570a_100000694244_100012029215 [0,3,0,0,0,0|0,0,0]=3 19867 B13R1.13 C=C(C)c1cc(ccc1N)C(C)C 271570a_100000694244_100011218581 [0,3,0,0,0,0|1,0,0]=4 19868 B13R1.13 C=C(C)c1cc(ccc1N)N(C)C 271570a_100000694244_200013039233 [0,3,0,0,0,0|1,0,0]=4 19869 B13R1.13 C=C(C)c1cc(ccc1O)C(=O)C 271570a_100000694244_100011772453 [0,3,0,0,0,0|0,0,0]=3 19870 B13R1.13 C=C(C)c1cc(cnc1F)C(=O)C 271570a_100000694244_200010135287 [0,3,0,0,0,0|1,0,0]=4 19871 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)C 271570a_100000694244_100012706819 [0,3,0,0,0,0|0,0,0]=3 19872 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)Cl 271570a_100000694244_100010712560 [0,3,0,0,0,0|0,0,0]=3 19873 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)F 271570a_100000694244_100000689017 [0,3,0,0,0,0|0,0,0]=3 19874 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)N 271570a_100000694244_100000695420 [0,3,0,0,0,0|0,0,0]=3 19875 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)O 271570a_100000694244_100000212127 [0,3,0,0,0,0|0,0,0]=3 19876 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)N)C 271570a_100000694244_100012257281 [0,3,0,0,0,0|1,0,0]=4 19877 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)N)F 271570a_100000694244_100000162119 [0,3,0,0,0,0|1,0,0]=4 19878 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)N)N 271570a_100000694244_100000740421 [0,3,0,0,0,0|1,0,0]=4 19879 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)N)O 271570a_100000694244_100000192807 [0,3,0,0,0,0|1,0,0]=4 19880 B13R1.13 C=C(C)c1ccc(c(c1)C(C)C)F 271570a_100000694244_200053017515 [0,3,0,0,0,0|1,0,0]=4 19881 B13R1.13 C=C(C)c1ccc(c(c1)C(C)C)N 271570a_100000694244_100000694223 [0,3,0,0,0,0|1,0,0]=4 19882 B13R1.13 C=C(C)c1ccc(c(c1)C(C)C)O 271570a_100000694244_100000691460 [0,3,0,0,0,0|1,0,0]=4 19883 B13R1.13 C=C(C)c1ccc(c(c1)C(C)O)F 271570a_100000694244_100011943926 [0,3,0,0,0,0|1,0,0]=4 19884 B13R1.13 C=C(C)c1ccc(c(c1)C(F)F)F 271570a_100000694244_100010167061 [0,3,0,0,0,0|1,0,0]=4 19885 B13R1.13 C=C(C)c1ccc(c(c1)N(C)C)F 271570a_100000694244_100010288836 [0,3,0,0,0,0|1,0,0]=4 19886 B13R1.13 C=C(C)c1ccc(c(n1)C(=O)C)F 271570a_100000694244_100009887703 [0,3,0,0,0,0|1,0,0]=4 19887 B13R1.13 C=C(C)c1cnc(c(c1)C(=O)C)C 271570a_100000694244_100138557192 [0,3,0,0,0,0|1,0,0]=4 19888 B13R1.13 C=C(C)c1cnc(c(c1)C(=O)C)F 271570a_100000694244_100010254234 [0,3,0,0,0,0|1,0,0]=4 19889 B13R1.13 C=C(C)c1cnc(c(c1)C(=O)C)N 271570a_100000694244_100010173950 [0,3,0,0,0,0|1,0,0]=4 19890 B13R1.13 CC(=O)c1cc(ccc1Br)N(C)C 1458a_100012343546_200000210301 [0,3,0,0,0,0|0,0,0]=3 19891 B13R1.13 CC(=O)c1cc(ccc1Br)[N+](=O)[O-] 1458a_100000747063_200000210301 [0,3,0,0,0,0|1,0,0]=4 19892 B13R1.13 CC(=O)c1cc(ccc1C)[N+](=O)[O-] 1458a_100000229928_200000210301 [0,3,0,0,0,0|1,0,0]=4 19893 B13R1.13 CC(=O)c1cc(ccc1I)[N+](=O)[O-] 1458a_100000739378_200000210301 [0,3,0,0,0,0|1,0,0]=4 19894 B13R1.13 CC(=O)c1cc(ccc1O)[N+](=O)[O-] 1458a_100000740180_200000210301 [0,3,0,0,0,0|1,0,0]=4 19895 B13R1.13 CC(=O)c1ccc(c(c1)C(C)C)Br 1458a_100010202910_200000210301 [0,3,0,0,0,0|0,0,0]=3 19896 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])Br 1458a_100000180175_200000210301 [0,3,0,0,0,0|1,0,0]=4 19897 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])C 1458a_100000185770_200000210301 [0,3,0,0,0,0|1,0,0]=4 19898 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl 1458a_100000210081_200000210301 [0,3,0,0,0,0|1,0,0]=4 19899 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])I 1458a_100000750634_200000210301 [0,3,0,0,0,0|1,0,0]=4 19900 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])O 1458a_100000744589_200000210301 [0,3,0,0,0,0|1,0,0]=4 19901 B13R1.13 CC(=O)c1cnc(c(c1)N(C)C)F 27a_100102631434_200010135287 [0,3,0,0,0,0|1,0,0]=4 19902 B13R1.13 CC(C)c1cc(ccc1Br)C(=O)[13CH3] 1458a_100010202910_200025704644 [0,3,0,0,0,0|0,0,0]=3 19903 B13R1.13 CN(C)c1ccc(c(c1)C(=O)[13CH3])Br 1458a_100012343546_200025704644 [0,3,0,0,0,0|0,0,0]=3 19904 B13R1.13 Cc1ccc(cc1C(=O)[13CH3])[N+](=O)[O-] 1458a_100000229928_200025704644 [0,3,0,0,0,0|1,0,0]=4 19905 B13R1.13 Cc1ccc(cc1[N+](=O)[O-])C(=O)[13CH3] 1458a_100000185770_200025704644 [0,3,0,0,0,0|1,0,0]=4 19906 B13R1.13 [13CH3]C(=O)c1cc(ccc1Br)[N+](=O)[O-] 1458a_100000747063_200025704644 [0,3,0,0,0,0|1,0,0]=4 19907 B13R1.13 [13CH3]C(=O)c1cc(ccc1I)[N+](=O)[O-] 1458a_100000739378_200025704644 [0,3,0,0,0,0|1,0,0]=4 19908 B13R1.13 [13CH3]C(=O)c1cc(ccc1O)[N+](=O)[O-] 1458a_100000740180_200025704644 [0,3,0,0,0,0|1,0,0]=4 19909 B13R1.13 [13CH3]C(=O)c1ccc(c(c1)[N+](=O)[O-])Br 1458a_100000180175_200025704644 [0,3,0,0,0,0|1,0,0]=4 19910 B13R1.13 [13CH3]C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl 1458a_100000210081_200025704644 [0,3,0,0,0,0|1,0,0]=4 19911 B13R1.13 [13CH3]C(=O)c1ccc(c(c1)[N+](=O)[O-])I 1458a_100000750634_200025704644 [0,3,0,0,0,0|1,0,0]=4 19912 B13R1.13 [13CH3]C(=O)c1ccc(c(c1)[N+](=O)[O-])O 1458a_100000744589_200025704644 [0,3,0,0,0,0|1,0,0]=4 19913 B13R1.49 C#Cc1cc(ccc1C)C(=O)CC 1458a_200012278110_100000210202 [0,3,0,0,0,0|0,0,1]=4 19914 B13R1.49 C#Cc1cc(ccc1C)C(=O)CF 1458a_200012278110_100015361967 [0,3,0,0,0,0|0,0,1]=4 19915 B13R1.49 C#Cc1cc(ccc1C)C(=O)NC 11a_106832991635_200012278110 [0,3,0,0,0,0|0,0,1]=4 19916 B13R1.49 C#Cc1cc(ccc1C)C(=O)NC 1626a_100102657272_200012278110 [0,3,0,0,0,0|0,0,1]=4 19917 B13R1.49 C#Cc1cc(ccc1C)C(=O)NC 527a_100102657272_200012278110 [0,3,0,0,0,0|0,0,1]=4 19918 B13R1.49 C=Cc1cc(ccc1Br)C(=O)OC 271570a_100011290941_100012349818 [0,3,0,0,0,0|0,0,1]=4 19919 B13R1.49 C=Cc1cc(ccc1C)C(=O)OC 271570a_100011290941_100011218856 [0,3,0,0,0,0|0,0,1]=4 19920 B13R1.49 C=Cc1cc(ccc1Cl)C(=O)OC 271570a_100011290941_100011294800 [0,3,0,0,0,0|0,0,1]=4 19921 B13R1.49 C=Cc1cc(ccc1F)C(=O)CC 271570a_100011290941_100011216493 [0,3,0,0,0,0|0,0,1]=4 19922 B13R1.49 C=Cc1cc(ccc1F)C(=O)NC 271570a_100011290941_200012359898 [0,3,0,0,0,0|0,0,1]=4 19923 B13R1.49 C=Cc1cc(ccc1F)C(=O)OC 271570a_100011290941_100000722584 [0,3,0,0,0,0|0,0,1]=4 19924 B13R1.49 C=Cc1cc(ccc1N)C(=O)OC 271570a_100011290941_100000187552 [0,3,0,0,0,0|0,0,1]=4 19925 B13R1.49 C=Cc1cc(ccc1O)C(=O)OC 271570a_100011290941_100000216328 [0,3,0,0,0,0|0,0,1]=4 19926 B13R1.49 CCC(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_100000210202 [0,3,0,0,0,0|0,0,1]=4 19927 B13R1.49 CCC(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_100000210202 [0,3,0,0,0,0|0,0,1]=4 19928 B13R1.49 CCC(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_100000210202 [0,3,0,0,0,0|0,0,1]=4 19929 B13R1.49 CCC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_100000210202 [0,3,0,0,0,0|0,0,1]=4 19930 B13R1.49 CCC(=O)c1ccc(c(c1)CC)Br 1458a_100010152358_100000210202 [0,3,0,0,0,0|0,0,0]=3 19931 B13R1.49 CCC(=O)c1ccc(c(c1)CC)Cl 1458a_100000102533_100000210202 [0,3,0,0,0,0|0,0,0]=3 19932 B13R1.49 CCC(=O)c1ccc(c(c1)CC)F 1458a_100009883079_100000210202 [0,3,0,0,0,0|0,0,0]=3 19933 B13R1.49 CCC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_100000210202 [0,3,0,0,0,0|0,0,0]=3 19934 B13R1.49 CCC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_100000210202 [0,3,0,0,0,0|0,0,0]=3 19935 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210202 [0,3,0,0,0,0|0,0,0]=3 19936 B13R1.49 CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210202 [0,3,0,0,0,0|0,0,0]=3 19937 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210202 [0,3,0,0,0,0|0,0,0]=3 19938 B13R1.49 CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210202 [0,3,0,0,0,0|0,0,0]=3 19939 B13R1.49 CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210202 [0,3,0,0,0,0|0,0,0]=3 19940 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210202 [0,3,0,0,0,0|0,0,0]=3 19941 B13R1.49 CCC(=O)c1ccc(c(c1)SC)F 62a_100011216493_200000210301 [0,3,0,0,0,0|0,0,0]=3 19942 B13R1.49 CCC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100011216493 [0,3,0,0,0,0|0,0,0]=3 19943 B13R1.49 CCC(=O)c1ccc(c(c1)S[13CH3])F 62a_100011216493_200025704644 [0,3,0,0,0,0|0,0,0]=3 19944 B13R1.49 CCC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100011216493 [0,3,0,0,0,0|0,0,0]=3 19945 B13R1.49 CCc1cc(ccc1Br)C(=O)CF 1458a_100010152358_100015361967 [0,3,0,0,0,0|0,0,0]=3 19946 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 11a_106832991635_100010152358 [0,3,0,0,0,0|0,0,0]=3 19947 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 1626a_100102657272_100010152358 [0,3,0,0,0,0|0,0,0]=3 19948 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 240690a_100102657272_100010152358 [0,3,0,0,0,0|0,0,0]=3 19949 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 527a_100102657272_100010152358 [0,3,0,0,0,0|0,0,0]=3 19950 B13R1.49 CCc1cc(ccc1Cl)C(=O)CF 1458a_100000102533_100015361967 [0,3,0,0,0,0|0,0,0]=3 19951 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 11a_106832991635_100000102533 [0,3,0,0,0,0|0,0,0]=3 19952 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 1626a_100102657272_100000102533 [0,3,0,0,0,0|0,0,0]=3 19953 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 240690a_100102657272_100000102533 [0,3,0,0,0,0|0,0,0]=3 19954 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 527a_100102657272_100000102533 [0,3,0,0,0,0|0,0,0]=3 19955 B13R1.49 CCc1cc(ccc1F)C(=O)CF 1458a_100009883079_100015361967 [0,3,0,0,0,0|0,0,0]=3 19956 B13R1.49 CCc1cc(ccc1F)C(=O)NC 11a_106832991635_100009883079 [0,3,0,0,0,0|0,0,0]=3 19957 B13R1.49 CCc1cc(ccc1F)C(=O)NC 1626a_100102657272_100009883079 [0,3,0,0,0,0|0,0,0]=3 19958 B13R1.49 CCc1cc(ccc1F)C(=O)NC 240690a_100102657272_100009883079 [0,3,0,0,0,0|0,0,0]=3 19959 B13R1.49 CCc1cc(ccc1F)C(=O)NC 527a_100102657272_100009883079 [0,3,0,0,0,0|0,0,0]=3 19960 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)Br 11a_106832991635_100010253904 [0,3,0,0,0,0|0,0,1]=4 19961 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)Br 1626a_100102657272_100010253904 [0,3,0,0,0,0|0,0,1]=4 19962 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)Br 240690a_100102657272_100010253904 [0,3,0,0,0,0|0,0,1]=4 19963 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)Br 527a_100102657272_100010253904 [0,3,0,0,0,0|0,0,1]=4 19964 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)Cl 11a_106832991635_100000696165 [0,3,0,0,0,0|0,0,1]=4 19965 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)Cl 1626a_100102657272_100000696165 [0,3,0,0,0,0|0,0,1]=4 19966 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)Cl 240690a_100102657272_100000696165 [0,3,0,0,0,0|0,0,1]=4 19967 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)Cl 527a_100102657272_100000696165 [0,3,0,0,0,0|0,0,1]=4 19968 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)F 11a_106832991635_100000697239 [0,3,0,0,0,0|0,0,1]=4 19969 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)F 1626a_100102657272_100000697239 [0,3,0,0,0,0|0,0,1]=4 19970 B13R1.49 CNC(=O)c1ccc(c(c1)CO)Br 1626a_100102657272_100010218026 [0,3,0,0,0,0|0,0,0]=3 19971 B13R1.49 CNC(=O)c1ccc(c(c1)CO)Br 240690a_100102657272_100010218026 [0,3,0,0,0,0|0,0,0]=3 19972 B13R1.49 CNC(=O)c1ccc(c(c1)CO)F 1626a_100102657272_100011803322 [0,3,0,0,0,0|0,0,0]=3 19973 B13R1.49 CNC(=O)c1ccc(c(c1)CO)F 240690a_100102657272_100011803322 [0,3,0,0,0,0|0,0,0]=3 19974 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 2230a_100000737617_200000210301 [0,3,0,0,0,0|0,0,0]=3 19975 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 34a_100000737617_200000210301 [0,3,0,0,0,0|0,0,0]=3 19976 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 7a_100000737617_200000210301 [0,3,0,0,0,0|0,0,0]=3 19977 B13R1.49 CNC(=O)c1ccc(c(c1)NC)Cl 34a_100000740709_200000210301 [0,3,0,0,0,0|0,0,0]=3 19978 B13R1.49 CNC(=O)c1ccc(c(c1)NC)F 27a_100102657272_200012359898 [0,3,0,0,0,0|0,0,0]=3 19979 B13R1.49 CNC(=O)c1ccc(c(c1)NC)F 34a_100011295210_200000210301 [0,3,0,0,0,0|0,0,0]=3 19980 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 2230a_100000737617_200025704644 [0,3,0,0,0,0|0,0,0]=3 19981 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 34a_100000737617_200025704644 [0,3,0,0,0,0|0,0,0]=3 19982 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 7a_100000737617_200025704644 [0,3,0,0,0,0|0,0,0]=3 19983 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])Cl 34a_100000740709_200025704644 [0,3,0,0,0,0|0,0,0]=3 19984 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])F 34a_100011295210_200025704644 [0,3,0,0,0,0|0,0,0]=3 19985 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 11a_106832991635_100011934951 [0,3,0,0,0,0|0,0,0]=3 19986 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 1626a_100102657272_100011934951 [0,3,0,0,0,0|0,0,0]=3 19987 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 240690a_100102657272_100011934951 [0,3,0,0,0,0|0,0,0]=3 19988 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 527a_100102657272_100011934951 [0,3,0,0,0,0|0,0,0]=3 19989 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 11a_106832991635_100000212341 [0,3,0,0,0,0|0,0,0]=3 19990 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 1626a_100102657272_100000212341 [0,3,0,0,0,0|0,0,0]=3 19991 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 240690a_100102657272_100000212341 [0,3,0,0,0,0|0,0,0]=3 19992 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 527a_100102657272_100000212341 [0,3,0,0,0,0|0,0,0]=3 19993 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 11a_106832991635_100000181799 [0,3,0,0,0,0|0,0,0]=3 19994 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 1626a_100102657272_100000181799 [0,3,0,0,0,0|0,0,0]=3 19995 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 240690a_100102657272_100000181799 [0,3,0,0,0,0|0,0,0]=3 19996 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 527a_100102657272_100000181799 [0,3,0,0,0,0|0,0,0]=3 19997 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 11a_106832991635_100000757635 [0,3,0,0,0,0|0,0,0]=3 19998 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 1626a_100102657272_100000757635 [0,3,0,0,0,0|0,0,0]=3 19999 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 240690a_100102657272_100000757635 [0,3,0,0,0,0|0,0,0]=3 20000 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 527a_100102657272_100000757635 [0,3,0,0,0,0|0,0,0]=3 20001 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 11a_106832991635_100012356290 [0,3,0,0,0,0|0,0,0]=3 20002 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 1626a_100102657272_100012356290 [0,3,0,0,0,0|0,0,0]=3 20003 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 240690a_100102657272_100012356290 [0,3,0,0,0,0|0,0,0]=3 20004 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 527a_100102657272_100012356290 [0,3,0,0,0,0|0,0,0]=3 20005 B13R1.49 CNC(=O)c1ccc(c(c1)OC)O 240690a_100102657272_100000687070 [0,3,0,0,0,0|0,0,0]=3 20006 B13R1.49 CNC(=O)c1ccc(c(c1)SC)F 62a_200000210301_200012359898 [0,3,0,0,0,0|0,0,0]=3 20007 B13R1.49 CNC(=O)c1ccc(c(c1)SC)F 62a_200012359898_200000210301 [0,3,0,0,0,0|0,0,0]=3 20008 B13R1.49 CNC(=O)c1ccc(c(c1)S[13CH3])F 62a_200012359898_200025704644 [0,3,0,0,0,0|0,0,0]=3 20009 B13R1.49 CNC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_200012359898 [0,3,0,0,0,0|0,0,0]=3 20010 B13R1.49 CNc1cc(cnc1F)C(=O)OC 27a_100102657272_100000117919 [0,3,0,0,0,0|1,0,0]=4 20011 B13R1.49 COC(=O)c1cc(c(cn1)C)SC 62a_100000065005_200000210301 [0,3,0,0,0,0|1,0,0]=4 20012 B13R1.49 COC(=O)c1cc(c(cn1)C)SC 62a_200000210301_100000065005 [0,3,0,0,0,0|1,0,0]=4 20013 B13R1.49 COC(=O)c1cc(c(cn1)C)S[13CH3] 62a_100000065005_200025704644 [0,3,0,0,0,0|1,0,0]=4 20014 B13R1.49 COC(=O)c1cc(c(cn1)C)S[13CH3] 62a_200025704644_100000065005 [0,3,0,0,0,0|1,0,0]=4 20015 B13R1.49 COC(=O)c1cc(c(cn1)O)OC 271570a_203496583355_100010136178 [0,3,0,0,0,0|1,0,0]=4 20016 B13R1.49 COC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010150795 [0,3,0,0,0,0|0,0,1]=4 20017 B13R1.49 COC(=O)c1ccc(c(c1)C=O)O 271570a_203496583355_100012274322 [0,3,0,0,0,0|0,0,1]=4 20018 B13R1.49 COC(=O)c1ccc(c(c1)CO)O 271570a_203496583355_100010201863 [0,3,0,0,0,0|0,0,0]=3 20019 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 34a_100011934688_200000210301 [0,3,0,0,0,0|0,0,0]=3 20020 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 7a_100011934688_200000210301 [0,3,0,0,0,0|0,0,0]=3 20021 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 34a_100000736511_200000210301 [0,3,0,0,0,0|0,0,0]=3 20022 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 7a_100000736511_200000210301 [0,3,0,0,0,0|0,0,0]=3 20023 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 34a_100000103815_200000210301 [0,3,0,0,0,0|0,0,0]=3 20024 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 7a_100000103815_200000210301 [0,3,0,0,0,0|0,0,0]=3 20025 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 34a_100000062259_200000210301 [0,3,0,0,0,0|0,0,0]=3 20026 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 7a_100000062259_200000210301 [0,3,0,0,0,0|0,0,0]=3 20027 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 34a_100012350776_200000210301 [0,3,0,0,0,0|0,0,0]=3 20028 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 7a_100012350776_200000210301 [0,3,0,0,0,0|0,0,0]=3 20029 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 34a_100000757247_200000210301 [0,3,0,0,0,0|0,0,0]=3 20030 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 7a_100000757247_200000210301 [0,3,0,0,0,0|0,0,0]=3 20031 B13R1.49 COC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100009816954 [0,3,0,0,0,0|0,0,0]=3 20032 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 34a_100011934688_200025704644 [0,3,0,0,0,0|0,0,0]=3 20033 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100011934688_200025704644 [0,3,0,0,0,0|0,0,0]=3 20034 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000736511_200025704644 [0,3,0,0,0,0|0,0,0]=3 20035 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000736511_200025704644 [0,3,0,0,0,0|0,0,0]=3 20036 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 34a_100000103815_200025704644 [0,3,0,0,0,0|0,0,0]=3 20037 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 7a_100000103815_200025704644 [0,3,0,0,0,0|0,0,0]=3 20038 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000062259_200025704644 [0,3,0,0,0,0|0,0,0]=3 20039 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000062259_200025704644 [0,3,0,0,0,0|0,0,0]=3 20040 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 34a_100012350776_200025704644 [0,3,0,0,0,0|0,0,0]=3 20041 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 7a_100012350776_200025704644 [0,3,0,0,0,0|0,0,0]=3 20042 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 34a_100000757247_200025704644 [0,3,0,0,0,0|0,0,0]=3 20043 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000757247_200025704644 [0,3,0,0,0,0|0,0,0]=3 20044 B13R1.49 COC(=O)c1ccc(c(c1)SC)Br 62a_100012349818_200000210301 [0,3,0,0,0,0|0,0,0]=3 20045 B13R1.49 COC(=O)c1ccc(c(c1)SC)Br 62a_200000210301_100012349818 [0,3,0,0,0,0|0,0,0]=3 20046 B13R1.49 COC(=O)c1ccc(c(c1)SC)C 62a_100000723194_200000210301 [0,3,0,0,0,0|0,0,0]=3 20047 B13R1.49 COC(=O)c1ccc(c(c1)SC)C 62a_200000210301_100000723194 [0,3,0,0,0,0|0,0,0]=3 20048 B13R1.49 COC(=O)c1ccc(c(c1)SC)Cl 62a_100011294800_200000210301 [0,3,0,0,0,0|0,0,0]=3 20049 B13R1.49 COC(=O)c1ccc(c(c1)SC)Cl 62a_200000210301_100011294800 [0,3,0,0,0,0|0,0,0]=3 20050 B13R1.49 COC(=O)c1ccc(c(c1)SC)F 62a_100000722584_200000210301 [0,3,0,0,0,0|0,0,0]=3 20051 B13R1.49 COC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100000722584 [0,3,0,0,0,0|0,0,0]=3 20052 B13R1.49 COC(=O)c1ccc(c(c1)SC)N 62a_100000187552_200000210301 [0,3,0,0,0,0|0,0,0]=3 20053 B13R1.49 COC(=O)c1ccc(c(c1)SC)N 62a_200000210301_100000187552 [0,3,0,0,0,0|0,0,0]=3 20054 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_100000216328_200000210301 [0,3,0,0,0,0|0,0,0]=3 20055 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100000216328 [0,3,0,0,0,0|0,0,0]=3 20056 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100012349818_200025704644 [0,3,0,0,0,0|0,0,0]=3 20057 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012349818 [0,3,0,0,0,0|0,0,0]=3 20058 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])C 62a_100000723194_200025704644 [0,3,0,0,0,0|0,0,0]=3 20059 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100000723194 [0,3,0,0,0,0|0,0,0]=3 20060 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Cl 62a_100011294800_200025704644 [0,3,0,0,0,0|0,0,0]=3 20061 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011294800 [0,3,0,0,0,0|0,0,0]=3 20062 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000722584_200025704644 [0,3,0,0,0,0|0,0,0]=3 20063 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000722584 [0,3,0,0,0,0|0,0,0]=3 20064 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])N 62a_100000187552_200025704644 [0,3,0,0,0,0|0,0,0]=3 20065 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])N 62a_200025704644_100000187552 [0,3,0,0,0,0|0,0,0]=3 20066 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_100000216328_200025704644 [0,3,0,0,0,0|0,0,0]=3 20067 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100000216328 [0,3,0,0,0,0|0,0,0]=3 20068 B13R1.49 COC(=O)c1ccc(c(n1)OC)O 271570a_203496583355_100010189641 [0,3,0,0,0,0|1,0,0]=4 20069 B13R1.49 COC(=O)c1ccc(c(n1)SC)C 62a_100010143800_200000210301 [0,3,0,0,0,0|1,0,0]=4 20070 B13R1.49 COC(=O)c1ccc(c(n1)SC)C 62a_200000210301_100010143800 [0,3,0,0,0,0|1,0,0]=4 20071 B13R1.49 COC(=O)c1ccc(c(n1)SC)F 62a_100010189626_200000210301 [0,3,0,0,0,0|1,0,0]=4 20072 B13R1.49 COC(=O)c1ccc(c(n1)SC)F 62a_200000210301_100010189626 [0,3,0,0,0,0|1,0,0]=4 20073 B13R1.49 COC(=O)c1ccc(c(n1)SC)O 62a_200000210301_200009815348 [0,3,0,0,0,0|1,0,0]=4 20074 B13R1.49 COC(=O)c1ccc(c(n1)SC)O 62a_200009815348_200000210301 [0,3,0,0,0,0|1,0,0]=4 20075 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])C 62a_100010143800_200025704644 [0,3,0,0,0,0|1,0,0]=4 20076 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])C 62a_200025704644_100010143800 [0,3,0,0,0,0|1,0,0]=4 20077 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])F 62a_100010189626_200025704644 [0,3,0,0,0,0|1,0,0]=4 20078 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])F 62a_200025704644_100010189626 [0,3,0,0,0,0|1,0,0]=4 20079 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])O 62a_200009815348_200025704644 [0,3,0,0,0,0|1,0,0]=4 20080 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])O 62a_200025704644_200009815348 [0,3,0,0,0,0|1,0,0]=4 20081 B13R1.49 COC(=O)c1cnc(c(c1)OC)Cl 34a_100009840551_200000210301 [0,3,0,0,0,0|1,0,0]=4 20082 B13R1.49 COC(=O)c1cnc(c(c1)OC)Cl 7a_100009840551_200000210301 [0,3,0,0,0,0|1,0,0]=4 20083 B13R1.49 COC(=O)c1cnc(c(c1)OC)I 34a_100010999399_200000210301 [0,3,0,0,0,0|1,0,0]=4 20084 B13R1.49 COC(=O)c1cnc(c(c1)OC)I 7a_100010999399_200000210301 [0,3,0,0,0,0|1,0,0]=4 20085 B13R1.49 COC(=O)c1cnc(c(c1)OC)N 34a_100009857207_200000210301 [0,3,0,0,0,0|1,0,0]=4 20086 B13R1.49 COC(=O)c1cnc(c(c1)OC)N 7a_100009857207_200000210301 [0,3,0,0,0,0|1,0,0]=4 20087 B13R1.49 COC(=O)c1cnc(c(c1)OC)O 271570a_203496583355_100010074909 [0,3,0,0,0,0|1,0,0]=4 20088 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])Cl 34a_100009840551_200025704644 [0,3,0,0,0,0|1,0,0]=4 20089 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])Cl 7a_100009840551_200025704644 [0,3,0,0,0,0|1,0,0]=4 20090 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])I 34a_100010999399_200025704644 [0,3,0,0,0,0|1,0,0]=4 20091 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])I 7a_100010999399_200025704644 [0,3,0,0,0,0|1,0,0]=4 20092 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])N 34a_100009857207_200025704644 [0,3,0,0,0,0|1,0,0]=4 20093 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])N 7a_100009857207_200025704644 [0,3,0,0,0,0|1,0,0]=4 20094 B13R1.49 COC(=O)c1cnc(c(c1)SC)Cl 62a_100010188758_200000210301 [0,3,0,0,0,0|1,0,0]=4 20095 B13R1.49 COC(=O)c1cnc(c(c1)SC)Cl 62a_200000210301_100010188758 [0,3,0,0,0,0|1,0,0]=4 20096 B13R1.49 COC(=O)c1cnc(c(c1)SC)F 62a_100000117919_200000210301 [0,3,0,0,0,0|1,0,0]=4 20097 B13R1.49 COC(=O)c1cnc(c(c1)SC)F 62a_200000210301_100000117919 [0,3,0,0,0,0|1,0,0]=4 20098 B13R1.49 COC(=O)c1cnc(c(c1)SC)N 62a_100009816800_200000210301 [0,3,0,0,0,0|1,0,0]=4 20099 B13R1.49 COC(=O)c1cnc(c(c1)SC)N 62a_200000210301_100009816800 [0,3,0,0,0,0|1,0,0]=4 20100 B13R1.49 COC(=O)c1cnc(c(c1)SC)O 62a_100010109663_200000210301 [0,3,0,0,0,0|1,0,0]=4 20101 B13R1.49 COC(=O)c1cnc(c(c1)SC)O 62a_200000210301_100010109663 [0,3,0,0,0,0|1,0,0]=4 20102 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])Cl 62a_100010188758_200025704644 [0,3,0,0,0,0|1,0,0]=4 20103 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])Cl 62a_200025704644_100010188758 [0,3,0,0,0,0|1,0,0]=4 20104 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])F 62a_100000117919_200025704644 [0,3,0,0,0,0|1,0,0]=4 20105 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])F 62a_200025704644_100000117919 [0,3,0,0,0,0|1,0,0]=4 20106 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])N 62a_100009816800_200025704644 [0,3,0,0,0,0|1,0,0]=4 20107 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])N 62a_200025704644_100009816800 [0,3,0,0,0,0|1,0,0]=4 20108 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])O 62a_100010109663_200025704644 [0,3,0,0,0,0|1,0,0]=4 20109 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])O 62a_200025704644_100010109663 [0,3,0,0,0,0|1,0,0]=4 20110 B13R1.49 COC(=O)c1coc(=O)c(c1)SC 62a_100009812866_200000210301 [0,3,0,0,0,0|1,0,0]=4 20111 B13R1.49 COC(=O)c1coc(=O)c(c1)SC 62a_200000210301_100009812866 [0,3,0,0,0,0|1,0,0]=4 20112 B13R1.49 COC(=O)c1coc(=O)c(c1)S[13CH3] 62a_100009812866_200025704644 [0,3,0,0,0,0|1,0,0]=4 20113 B13R1.49 COC(=O)c1coc(=O)c(c1)S[13CH3] 62a_200025704644_100009812866 [0,3,0,0,0,0|1,0,0]=4 20114 B13R1.49 COc1cc(ccc1Br)C(=O)CF 1458a_100011934951_100015361967 [0,3,0,0,0,0|0,0,0]=3 20115 B13R1.49 COc1cc(ccc1C)C(=O)CF 1458a_100000212341_100015361967 [0,3,0,0,0,0|0,0,0]=3 20116 B13R1.49 COc1cc(ccc1Cl)C(=O)CF 1458a_100000181799_100015361967 [0,3,0,0,0,0|0,0,0]=3 20117 B13R1.49 COc1cc(ccc1F)C(=O)CF 1458a_100000757635_100015361967 [0,3,0,0,0,0|0,0,0]=3 20118 B13R1.49 COc1cc(ccc1I)C(=O)CF 1458a_100012356290_100015361967 [0,3,0,0,0,0|0,0,0]=3 20119 B13R1.49 COc1cc(ccc1N)C(=O)NN 34a_200000073589_200000210301 [0,3,0,0,0,0|1,0,0]=4 20120 B13R1.49 COc1cc(ccc1O)C(=O)CF 1458a_100000687070_100015361967 [0,3,0,0,0,0|0,0,0]=3 20121 B13R1.49 CSc1cc(ccc1C)C(=O)NN 62a_100000188075_200000210301 [0,3,0,0,0,0|1,0,0]=4 20122 B13R1.49 CSc1cc(ccc1C)C(=O)NN 62a_200000210301_100000188075 [0,3,0,0,0,0|1,0,0]=4 20123 B13R1.49 CSc1cc(ccc1Cl)C(=O)NN 62a_100000046573_200000210301 [0,3,0,0,0,0|1,0,0]=4 20124 B13R1.49 CSc1cc(ccc1Cl)C(=O)NN 62a_200000210301_100000046573 [0,3,0,0,0,0|1,0,0]=4 20125 B13R1.49 Cc1ccc(cc1S[13CH3])C(=O)NN 62a_100000188075_200025704644 [0,3,0,0,0,0|1,0,0]=4 20126 B13R1.49 Cc1ccc(cc1S[13CH3])C(=O)NN 62a_200025704644_100000188075 [0,3,0,0,0,0|1,0,0]=4 20127 B13R1.49 N#Cc1cc(ccc1Br)C(=O)CF 1458a_100010253904_100015361967 [0,3,0,0,0,0|0,0,1]=4 20128 B13R1.49 N#Cc1cc(ccc1Cl)C(=O)CF 1458a_100000696165_100015361967 [0,3,0,0,0,0|0,0,1]=4 20129 B13R1.49 N#Cc1cc(ccc1F)C(=O)CF 1458a_100000697239_100015361967 [0,3,0,0,0,0|0,0,1]=4 20130 B13R1.49 N#Cc1cc(ccc1O)C(=O)CF 1458a_100009875055_100015361967 [0,3,0,0,0,0|0,0,1]=4 20131 B13R1.49 O=C(CF)c1ccc(c(c1)CO)Br 1458a_100010218026_100015361967 [0,3,0,0,0,0|0,0,0]=3 20132 B13R1.49 O=C(CF)c1ccc(c(c1)CO)F 1458a_100011803322_100015361967 [0,3,0,0,0,0|0,0,0]=3 20133 B13R1.49 [13CH3]Oc1cc(ccc1N)C(=O)NN 34a_200000073589_200025704644 [0,3,0,0,0,0|1,0,0]=4 20134 B13R1.49 [13CH3]Sc1cc(ccc1Cl)C(=O)NN 62a_100000046573_200025704644 [0,3,0,0,0,0|1,0,0]=4 20135 B13R1.49 [13CH3]Sc1cc(ccc1Cl)C(=O)NN 62a_200025704644_100000046573 [0,3,0,0,0,0|1,0,0]=4 20136 B13R1.298 C=C(C)c1cc(c(c(c1)C#N)F)C 271570a_100000694244_200010873580 [0,3,0,0,0,0|1,0,0]=4 20137 B13R1.298 C=C(C)c1cc(c(c(c1)C#N)N)C 271570a_100000694244_100012771665 [0,3,0,0,0,0|1,0,0]=4 20138 B13R1.298 C=C(C)c1cc(c(c(c1)C#N)O)C 271570a_100000694244_100010195408 [0,3,0,0,0,0|1,0,0]=4 20139 B13R1.298 C=C(C)c1cc(c(c(c1)C=O)F)C 271570a_100000694244_100010235757 [0,3,0,0,0,0|1,0,0]=4 20140 B13R1.298 C=C(C)c1cc(c(c(c1)CC)N)C 271570a_100000694244_200000186424 [0,3,0,0,0,0|1,0,0]=4 20141 B13R1.298 C=C(C)c1cc(c(c(c1)CC)O)C 271570a_100000694244_100010659108 [0,3,0,0,0,0|1,0,0]=4 20142 B13R1.298 C=C(C)c1cc(c(c(c1)CO)F)C 271570a_100000694244_200010782270 [0,3,0,0,0,0|1,0,0]=4 20143 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)C 271570a_100000694244_100010271686 [0,3,0,0,0,0|1,0,0]=4 20144 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)F 271570a_100000694244_100011218012 [0,3,0,0,0,0|1,0,0]=4 20145 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)O 271570a_100000694244_200015524394 [0,3,0,0,0,0|1,0,0]=4 20146 B13R1.298 C=C(C)c1cc(c(c(c1)OC)N)C 271570a_100000694244_100000741850 [0,3,0,0,0,0|1,0,0]=4 20147 B13R1.298 COc1cc(cc(c1Cl)Br)C(=O)C 1458a_100020639751_200000210301 [0,3,0,0,0,0|0,0,0]=3 20148 B13R1.298 COc1cc(cc(c1Cl)Br)C(=O)[13CH3] 1458a_100020639751_200025704644 [0,3,0,0,0,0|0,0,0]=3 20149 B13R1.298 COc1cc(cc(c1F)F)C(=O)C 1458a_100000081826_200000210301 [0,3,0,0,0,0|0,0,0]=3 20150 B13R1.298 COc1cc(cc(c1F)F)C(=O)[13CH3] 1458a_100000081826_200025704644 [0,3,0,0,0,0|0,0,0]=3 20151 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)C 1458a_100000209947_200000210301 [0,3,0,0,0,0|0,0,0]=3 20152 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)[13CH3] 1458a_100000209947_200025704644 [0,3,0,0,0,0|0,0,0]=3 20153 B13R1.298 COc1cc(cc(c1O)O)C(=O)C 1458a_100000061230_200000210301 [0,3,0,0,0,0|0,0,0]=3 20154 B13R1.298 COc1cc(cc(c1O)O)C(=O)[13CH3] 1458a_100000061230_200025704644 [0,3,0,0,0,0|0,0,0]=3 20155 B13R1.354 C=C(C)c1ccc(c(c1)CC#N)Br 271570a_100000694244_100010146707 [0,3,0,0,0,0|1,0,0]=4 20156 B13R1.354 C=C(C)c1ccc(c(c1)CC#N)C 271570a_100000694244_100010147029 [0,3,0,0,0,0|1,0,0]=4 20157 B13R1.354 C=C(C)c1ccc(c(c1)CC#N)F 271570a_100000694244_100000739769 [0,3,0,0,0,0|1,0,0]=4 20158 B13R1.354 C=C(C)c1ccc(c(c1)CC#N)N 271570a_100000694244_100010188562 [0,3,0,0,0,0|1,0,0]=4 20159 B13R1.354 C=C(C)c1ccc(c(c1)CNC)C 271570a_100000694244_106744473289 [0,3,0,0,0,0|1,0,0]=4 20160 B13R1.354 C=C(C)c1ccc(c(c1)CNC)F 271570a_100000694244_100000748472 [0,3,0,0,0,0|1,0,0]=4 20161 B13R1.354 C=C(C)c1ccc(c(c1)CNC)O 271570a_100000694244_100011602694 [0,3,0,0,0,0|1,0,0]=4 20162 B13R1.354 C=C(C)c1ccc(c(c1)COC)Br 271570a_100000694244_202125822959 [0,3,0,0,0,0|1,0,0]=4 20163 B13R1.354 C=C(C)c1ccc(c(c1)COC)F 271570a_100000694244_100010140362 [0,3,0,0,0,0|1,0,0]=4 20164 B13R1.354 C=C(C)c1ccc(c(c1)NCC)N 271570a_100000694244_100000696630 [0,3,0,0,0,0|1,0,0]=4 20165 B13R1.354 C=C(C)c1ccc(c(c1)OCC)C 271570a_100000694244_100012361169 [0,3,0,0,0,0|1,0,0]=4 20166 B13R1.354 C=C(C)c1ccc(c(c1)OCC)F 271570a_100000694244_200012344967 [0,3,0,0,0,0|1,0,0]=4 20167 B13R1.354 C=C(C)c1ccc(c(c1)OCC)N 271570a_100000694244_100000688918 [0,3,0,0,0,0|1,0,0]=4 20168 B13R1.354 C=C=Cc1cc(ccc1Br)C(=O)C 271570a_100015277604_100010146556 [0,3,0,0,0,0|0,0,1]=4 20169 B13R1.354 C=C=Cc1cc(ccc1C)C(=O)C 271570a_100015277604_100011934287 [0,3,0,0,0,0|0,0,1]=4 20170 B13R1.354 C=C=Cc1cc(ccc1F)C(=O)C 271570a_100015277604_100000239719 [0,3,0,0,0,0|0,0,1]=4 20171 B13R1.354 C=C=Cc1cc(ccc1N)C(=O)C 271570a_100015277604_100012029215 [0,3,0,0,0,0|0,0,1]=4 20172 B13R1.354 C=C=Cc1cc(ccc1O)C(=O)C 271570a_100015277604_100011772453 [0,3,0,0,0,0|0,0,1]=4 20173 B13R1.354 CC(=O)c1ccc(c(c1)CS[13CH3])O 62a_100000010293_200025704644 [0,3,0,0,0,0|0,0,0]=3 20174 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 34a_100000084092_100015361967 [0,3,0,0,0,0|0,0,0]=3 20175 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 7a_100000084092_100015361967 [0,3,0,0,0,0|0,0,0]=3 20176 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 34a_100000117923_100015361967 [0,3,0,0,0,0|0,0,0]=3 20177 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 7a_100000117923_100015361967 [0,3,0,0,0,0|0,0,0]=3 20178 B13R1.354 CC(=O)c1ccc(c(c1)SCF)Br 62a_100010146556_100015361967 [0,3,0,0,0,0|0,0,0]=3 20179 B13R1.354 CC(=O)c1ccc(c(c1)SCF)Br 62a_100015361967_100010146556 [0,3,0,0,0,0|0,0,0]=3 20180 B13R1.354 CC(=O)c1ccc(c(c1)SCF)C 62a_100011934287_100015361967 [0,3,0,0,0,0|0,0,0]=3 20181 B13R1.354 CC(=O)c1ccc(c(c1)SCF)C 62a_100015361967_100011934287 [0,3,0,0,0,0|0,0,0]=3 20182 B13R1.354 CC(=O)c1ccc(c(c1)SCF)F 62a_100000239719_100015361967 [0,3,0,0,0,0|0,0,0]=3 20183 B13R1.354 CC(=O)c1ccc(c(c1)SCF)F 62a_100015361967_100000239719 [0,3,0,0,0,0|0,0,0]=3 20184 B13R1.354 CC(=O)c1ccc(c(c1)SCF)N 62a_100012029215_100015361967 [0,3,0,0,0,0|0,0,0]=3 20185 B13R1.354 CC(=O)c1ccc(c(c1)SCF)O 62a_100011772453_100015361967 [0,3,0,0,0,0|0,0,0]=3 20186 B13R1.354 CC(=O)c1cnc(c(c1)SCF)F 62a_100015361967_200010135287 [0,3,0,0,0,0|1,0,0]=4 20187 B13R1.354 CC(=O)c1cnc(c(c1)SCF)F 62a_200010135287_100015361967 [0,3,0,0,0,0|1,0,0]=4 20188 B13R1.354 CC=Cc1cc(ccc1Br)C(=O)C 271570a_100016259895_100010146556 [0,3,0,0,0,0|0,0,0]=3 20189 B13R1.354 CC=Cc1cc(ccc1C)C(=O)C 271570a_100016259895_100011934287 [0,3,0,0,0,0|0,0,0]=3 20190 B13R1.354 CC=Cc1cc(ccc1C)C(=O)N 271570a_100016259895_100000186401 [0,3,0,0,0,0|1,0,0]=4 20191 B13R1.354 CC=Cc1cc(ccc1F)C(=O)C 271570a_100016259895_100000239719 [0,3,0,0,0,0|0,0,0]=3 20192 B13R1.354 CC=Cc1cc(ccc1F)C(=O)N 271570a_100016259895_100011202321 [0,3,0,0,0,0|1,0,0]=4 20193 B13R1.354 CC=Cc1cc(ccc1N)C(=O)C 271570a_100016259895_100012029215 [0,3,0,0,0,0|0,0,0]=3 20194 B13R1.354 CC=Cc1cc(ccc1O)C(=O)C 271570a_100016259895_100011772453 [0,3,0,0,0,0|0,0,0]=3 20195 B13R1.354 CC=Cc1cc(cnc1F)C(=O)C 271570a_100016259895_200010135287 [0,3,0,0,0,0|1,0,0]=4 20196 B13R1.354 CCCc1cc(ccc1F)C(=O)C 1458a_100009923992_200000210301 [0,3,0,0,0,0|0,0,0]=3 20197 B13R1.354 CCCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009923992_200025704644 [0,3,0,0,0,0|0,0,0]=3 20198 B13R1.354 CCNc1cc(ccc1C)C(=O)N 34a_100000188646_100000210202 [0,3,0,0,0,0|1,0,0]=4 20199 B13R1.354 CCNc1cc(ccc1C)C(=O)N 7a_100000188646_100000210202 [0,3,0,0,0,0|1,0,0]=4 20200 B13R1.354 CCNc1cc(ccc1Cl)C(=O)N 34a_100000736751_100000210202 [0,3,0,0,0,0|1,0,0]=4 20201 B13R1.354 CCNc1cc(ccc1F)C(=O)N 34a_100000740466_100000210202 [0,3,0,0,0,0|1,0,0]=4 20202 B13R1.354 CCNc1cc(cnc1F)C(=O)C 27a_100015525214_200010135287 [0,3,0,0,0,0|1,0,0]=4 20203 B13R1.354 CCOc1cc(ccc1Br)C(=O)N 34a_100012344895_100000210202 [0,3,0,0,0,0|1,0,0]=4 20204 B13R1.354 CCOc1cc(ccc1Br)C(=O)N 7a_100012344895_100000210202 [0,3,0,0,0,0|1,0,0]=4 20205 B13R1.354 CCOc1cc(ccc1C)C(=O)C 1458a_100000238212_200000210301 [0,3,0,0,0,0|0,0,0]=3 20206 B13R1.354 CCOc1cc(ccc1C)C(=O)C 34a_100000084092_100000210202 [0,3,0,0,0,0|0,0,0]=3 20207 B13R1.354 CCOc1cc(ccc1C)C(=O)C 7a_100000084092_100000210202 [0,3,0,0,0,0|0,0,0]=3 20208 B13R1.354 CCOc1cc(ccc1C)C(=O)[13CH3] 1458a_100000238212_200025704644 [0,3,0,0,0,0|0,0,0]=3 20209 B13R1.354 CCOc1cc(ccc1Cl)C(=O)C 1458a_200010207389_200000210301 [0,3,0,0,0,0|0,0,0]=3 20210 B13R1.354 CCOc1cc(ccc1Cl)C(=O)[13CH3] 1458a_200010207389_200025704644 [0,3,0,0,0,0|0,0,0]=3 20211 B13R1.354 CCOc1cc(ccc1F)C(=O)C 34a_100000117923_100000210202 [0,3,0,0,0,0|0,0,0]=3 20212 B13R1.354 CCOc1cc(ccc1F)C(=O)C 7a_100000117923_100000210202 [0,3,0,0,0,0|0,0,0]=3 20213 B13R1.354 CCOc1cc(ccc1N)C(=O)N 34a_100011850428_100000210202 [0,3,0,0,0,0|1,0,0]=4 20214 B13R1.354 CCOc1cc(ccc1N)C(=O)N 7a_100011850428_100000210202 [0,3,0,0,0,0|1,0,0]=4 20215 B13R1.354 CCOc1cc(ccc1O)C(=O)C 1458a_100011260950_200000210301 [0,3,0,0,0,0|0,0,0]=3 20216 B13R1.354 CCOc1cc(ccc1O)C(=O)[13CH3] 1458a_100011260950_200025704644 [0,3,0,0,0,0|0,0,0]=3 20217 B13R1.354 CCSc1cc(ccc1Br)C(=O)C 62a_100000210202_100010146556 [0,3,0,0,0,0|0,0,0]=3 20218 B13R1.354 CCSc1cc(ccc1Br)C(=O)C 62a_100010146556_100000210202 [0,3,0,0,0,0|0,0,0]=3 20219 B13R1.354 CCSc1cc(ccc1C)C(=O)C 62a_100000210202_100011934287 [0,3,0,0,0,0|0,0,0]=3 20220 B13R1.354 CCSc1cc(ccc1C)C(=O)C 62a_100011934287_100000210202 [0,3,0,0,0,0|0,0,0]=3 20221 B13R1.354 CCSc1cc(ccc1C)C(=O)N 62a_100000186401_100000210202 [0,3,0,0,0,0|1,0,0]=4 20222 B13R1.354 CCSc1cc(ccc1C)C(=O)N 62a_100000210202_100000186401 [0,3,0,0,0,0|1,0,0]=4 20223 B13R1.354 CCSc1cc(ccc1F)C(=O)C 62a_100000210202_100000239719 [0,3,0,0,0,0|0,0,0]=3 20224 B13R1.354 CCSc1cc(ccc1F)C(=O)C 62a_100000239719_100000210202 [0,3,0,0,0,0|0,0,0]=3 20225 B13R1.354 CCSc1cc(ccc1F)C(=O)N 62a_100000210202_100011202321 [0,3,0,0,0,0|1,0,0]=4 20226 B13R1.354 CCSc1cc(ccc1F)C(=O)N 62a_100011202321_100000210202 [0,3,0,0,0,0|1,0,0]=4 20227 B13R1.354 CCSc1cc(ccc1N)C(=O)C 62a_100012029215_100000210202 [0,3,0,0,0,0|0,0,0]=3 20228 B13R1.354 CCSc1cc(ccc1O)C(=O)C 62a_100011772453_100000210202 [0,3,0,0,0,0|0,0,0]=3 20229 B13R1.354 CCSc1cc(cnc1F)C(=O)C 62a_100000210202_200010135287 [0,3,0,0,0,0|1,0,0]=4 20230 B13R1.354 CCSc1cc(cnc1F)C(=O)C 62a_200010135287_100000210202 [0,3,0,0,0,0|1,0,0]=4 20231 B13R1.354 CNCc1cc(ccc1Br)C(=O)N 26a_100102657272_100012344895 [0,3,0,0,0,0|1,0,0]=4 20232 B13R1.354 CNCc1cc(ccc1F)C(=O)C 26a_100102657272_100000117923 [0,3,0,0,0,0|0,0,0]=3 20233 B13R1.354 CNCc1cc(ccc1O)C(=O)C 34a_100102657272_100000010293 [0,3,0,0,0,0|0,0,0]=3 20234 B13R1.354 COCc1cc(ccc1O)C(=O)C 34a_100138415774_100000010293 [0,3,0,0,0,0|0,0,0]=3 20235 B13R1.354 CSCc1cc(ccc1O)C(=O)C 62a_100000010293_200000210301 [0,3,0,0,0,0|0,0,0]=3 20236 B13R1.354 Cc1ccc(cc1NCF)C(=O)N 34a_100000188646_100015361967 [0,3,0,0,0,0|1,0,0]=4 20237 B13R1.354 Cc1ccc(cc1NCF)C(=O)N 7a_100000188646_100015361967 [0,3,0,0,0,0|1,0,0]=4 20238 B13R1.354 Cc1ccc(cc1SCF)C(=O)N 62a_100000186401_100015361967 [0,3,0,0,0,0|1,0,0]=4 20239 B13R1.354 Cc1ccc(cc1SCF)C(=O)N 62a_100015361967_100000186401 [0,3,0,0,0,0|1,0,0]=4 20240 B13R1.354 NC(=O)c1ccc(c(c1)NCF)Cl 34a_100000736751_100015361967 [0,3,0,0,0,0|1,0,0]=4 20241 B13R1.354 NC(=O)c1ccc(c(c1)NCF)F 34a_100000740466_100015361967 [0,3,0,0,0,0|1,0,0]=4 20242 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br 34a_100012344895_100015361967 [0,3,0,0,0,0|1,0,0]=4 20243 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br 7a_100012344895_100015361967 [0,3,0,0,0,0|1,0,0]=4 20244 B13R1.354 NC(=O)c1ccc(c(c1)OCF)N 34a_100011850428_100015361967 [0,3,0,0,0,0|1,0,0]=4 20245 B13R1.354 NC(=O)c1ccc(c(c1)OCF)N 7a_100011850428_100015361967 [0,3,0,0,0,0|1,0,0]=4 20246 B13R1.354 NC(=O)c1ccc(c(c1)SCF)F 62a_100011202321_100015361967 [0,3,0,0,0,0|1,0,0]=4 20247 B13R1.354 NC(=O)c1ccc(c(c1)SCF)F 62a_100015361967_100011202321 [0,3,0,0,0,0|1,0,0]=4 20248 B13R1.651 C=C(C)c1cc(c(cc1Br)Br)OC 271570a_100000694244_200014006352 [0,3,0,0,0,0|1,0,0]=4 20249 B13R1.651 C=C(C)c1cc(c(cc1C)F)OC 271570a_100000694244_100011009880 [0,3,0,0,0,0|1,0,0]=4 20250 B13R1.651 C=C(C)c1cc(c(cc1C)N)OC 271570a_100000694244_100010141321 [0,3,0,0,0,0|1,0,0]=4 20251 B13R1.651 C=C(C)c1cc(c(cc1F)Cl)OC 271570a_100000694244_100010739614 [0,3,0,0,0,0|1,0,0]=4 20252 B13R1.651 C=C(C)c1cc(c(cc1F)F)CO 271570a_100000694244_100016029355 [0,3,0,0,0,0|1,0,0]=4 20253 B13R1.651 C=C(C)c1cc(c(cc1F)F)OC 271570a_100000694244_200015541288 [0,3,0,0,0,0|1,0,0]=4 20254 B13R1.651 C=C(C)c1cc(c(cc1F)N)NC 271570a_100000694244_100013631271 [0,3,0,0,0,0|1,0,0]=4 20255 B13R1.651 C=C(C)c1cc(c(cc1F)N)OC 271570a_100000694244_100012766639 [0,3,0,0,0,0|1,0,0]=4 20256 B13R1.651 C=C(C)c1cc(c(cc1F)O)OC 271570a_100000694244_100010189133 [0,3,0,0,0,0|1,0,0]=4 20257 B13R1.651 C=C(C)c1cc(c(cc1N)C)OC 271570a_100000694244_200010584344 [0,3,0,0,0,0|1,0,0]=4 20258 B13R1.651 C=C(C)c1cc(c(cc1N)F)OC 271570a_100000694244_100010365326 [0,3,0,0,0,0|1,0,0]=4 20259 B13R1.651 C=Cc1cc(c(cc1C)O)C(=O)C 271570a_100011290941_200010233951 [0,3,0,0,0,0|0,0,1]=4 20260 B13R1.651 C=Cc1cc(c(cc1F)F)C(=O)C 271570a_100011290941_100009817148 [0,3,0,0,0,0|0,0,1]=4 20261 B13R1.651 C=Cc1cc(c(cc1F)O)C(=O)C 271570a_100011290941_100000691652 [0,3,0,0,0,0|0,0,1]=4 20262 B13R1.651 CC(=O)c1cc(c(cc1Cl)Cl)C#N 1458a_200015787993_200000210301 [0,3,0,0,0,0|0,0,1]=4 20263 B13R1.651 CC(=O)c1cc(c(cc1F)F)S[13CH3] 62a_100009817148_200025704644 [0,3,0,0,0,0|0,0,0]=3 20264 B13R1.651 CC(=O)c1cc(c(cc1O)C)S[13CH3] 62a_200010233951_200025704644 [0,3,0,0,0,0|0,0,0]=3 20265 B13R1.651 CC(=O)c1cc(c(cc1O)F)S[13CH3] 62a_100000691652_200025704644 [0,3,0,0,0,0|0,0,0]=3 20266 B13R1.651 CNc1cc(c(cc1F)F)C(=O)N 27a_100102657272_100015235948 [0,3,0,0,0,0|1,0,0]=4 20267 B13R1.651 COc1cc(c(cc1C)Br)C(=O)C 1458a_100010289115_200000210301 [0,3,0,0,0,0|0,0,0]=3 20268 B13R1.651 COc1cc(c(cc1C)Br)C(=O)[13CH3] 1458a_100010289115_200025704644 [0,3,0,0,0,0|0,0,0]=3 20269 B13R1.651 COc1cc(c(cc1F)Br)C(=O)C 1458a_100010174800_200000210301 [0,3,0,0,0,0|0,0,0]=3 20270 B13R1.651 COc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010174800_200025704644 [0,3,0,0,0,0|0,0,0]=3 20271 B13R1.651 CSc1cc(c(cc1C)O)C(=O)C 62a_200010233951_200000210301 [0,3,0,0,0,0|0,0,0]=3 20272 B13R1.651 CSc1cc(c(cc1F)F)C(=O)C 62a_100009817148_200000210301 [0,3,0,0,0,0|0,0,0]=3 20273 B13R1.651 CSc1cc(c(cc1F)F)C(=O)N 62a_100015235948_200000210301 [0,3,0,0,0,0|1,0,0]=4 20274 B13R1.651 CSc1cc(c(cc1F)F)C(=O)N 62a_200000210301_100015235948 [0,3,0,0,0,0|1,0,0]=4 20275 B13R1.651 CSc1cc(c(cc1F)N)C(=O)N 62a_100015444839_200000210301 [0,3,0,0,0,0|1,0,0]=4 20276 B13R1.651 CSc1cc(c(cc1F)O)C(=O)C 62a_100000691652_200000210301 [0,3,0,0,0,0|0,0,0]=3 20277 B13R1.651 [13CH3]C(=O)c1cc(c(cc1Cl)Cl)C#N 1458a_200015787993_200025704644 [0,3,0,0,0,0|0,0,1]=4 20278 B13R1.651 [13CH3]Sc1cc(c(cc1F)F)C(=O)N 62a_100015235948_200025704644 [0,3,0,0,0,0|1,0,0]=4 20279 B13R1.651 [13CH3]Sc1cc(c(cc1F)F)C(=O)N 62a_200025704644_100015235948 [0,3,0,0,0,0|1,0,0]=4 20280 B13R1.651 [13CH3]Sc1cc(c(cc1F)N)C(=O)N 62a_100015444839_200025704644 [0,3,0,0,0,0|1,0,0]=4 20281 B13R1.3230 C=C(C)c1ccc(c(c1F)CO)Br 271570a_100000694244_200010782277 [0,3,0,0,0,0|1,0,0]=4 20282 B13R1.3230 C=C(C)c1ccc(c(c1F)CO)F 271570a_100000694244_100000725363 [0,3,0,0,0,0|1,0,0]=4 20283 B13R1.3230 C=C(C)c1ccc(c(c1F)OC)Cl 271570a_100000694244_200135222481 [0,3,0,0,0,0|1,0,0]=4 20284 B13R1.3230 C=C(C)c1ccc(c(c1F)OC)N 271570a_100000694244_100010734149 [0,3,0,0,0,0|1,0,0]=4 20285 B13R1.3230 C=C(C)c1ccc(c(c1F)SC)F 271570a_100000694244_202125771753 [0,3,0,0,0,0|1,0,0]=4 20286 B13R1.3230 C=Cc1c(ccc(c1F)C(=O)C)F 271570a_100011290941_100010179980 [0,3,0,0,0,0|0,0,1]=4 20287 B13R1.3230 CC(=O)c1ccc(c(c1F)S[13CH3])F 62a_100010179980_200025704644 [0,3,0,0,0,0|0,0,0]=3 20288 B13R1.3230 CC(=O)c1ccc(c(c1F)S[13CH3])F 62a_200025704644_100010179980 [0,3,0,0,0,0|0,0,0]=3 20289 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Br 1458a_100009816242_200000210301 [0,3,0,0,0,0|0,0,0]=3 20290 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Cl 1458a_100010116254_200000210301 [0,3,0,0,0,0|0,0,0]=3 20291 B13R1.3230 COc1c(ccc(c1F)C(=O)C)F 1458a_100000061937_200000210301 [0,3,0,0,0,0|0,0,0]=3 20292 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100009816242_200025704644 [0,3,0,0,0,0|0,0,0]=3 20293 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100010116254_200025704644 [0,3,0,0,0,0|0,0,0]=3 20294 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000061937_200025704644 [0,3,0,0,0,0|0,0,0]=3 20295 B13R1.3230 CSc1c(ccc(c1F)C(=O)C)Cl 1458a_200134766191_200000210301 [0,3,0,0,0,0|0,0,0]=3 20296 B13R1.3230 CSc1c(ccc(c1F)C(=O)C)F 62a_100010179980_200000210301 [0,3,0,0,0,0|0,0,0]=3 20297 B13R1.3230 CSc1c(ccc(c1F)C(=O)C)F 62a_200000210301_100010179980 [0,3,0,0,0,0|0,0,0]=3 20298 B13R1.3230 CSc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_200134766191_200025704644 [0,3,0,0,0,0|0,0,0]=3 20299 B13R1.1807 CCC(=O)c1cc(c(cc1Br)C)F 1458a_200012355688_100000210202 [0,3,0,0,0,0|1,0,0]=4 20300 B13R1.1807 CCC(=O)c1cc(c(cc1Br)F)C 1458a_100010204433_100000210202 [0,3,0,0,0,0|0,0,0]=3 20301 B13R1.1807 CCC(=O)c1cc(c(cc1Br)F)Cl 1458a_100012921620_100000210202 [0,3,0,0,0,0|1,0,0]=4 20302 B13R1.1807 CCC(=O)c1cc(c(cc1Br)F)F 1458a_100000685074_100000210202 [0,3,0,0,0,0|1,0,0]=4 20303 B13R1.1807 CCC(=O)c1cc(c(cc1C)Br)C 1458a_100000695896_100000210202 [0,3,0,0,0,0|0,0,0]=3 20304 B13R1.1807 CCC(=O)c1cc(c(cc1C)Br)F 1458a_100012344525_100000210202 [0,3,0,0,0,0|1,0,0]=4 20305 B13R1.1807 CCC(=O)c1cc(c(cc1C)C)Br 1458a_100012920494_100000210202 [0,3,0,0,0,0|1,0,0]=4 20306 B13R1.1807 CCC(=O)c1cc(c(cc1C)C)C 1458a_100011216168_100000210202 [0,3,0,0,0,0|0,0,0]=3 20307 B13R1.1807 CCC(=O)c1cc(c(cc1C)C)I 1458a_100000723791_100000210202 [0,3,0,0,0,0|1,0,0]=4 20308 B13R1.1807 CCC(=O)c1cc(c(cc1C)Cl)Cl 1458a_100010439669_100000210202 [0,3,0,0,0,0|1,0,0]=4 20309 B13R1.1807 CCC(=O)c1cc(c(cc1C)Cl)F 1458a_200010768543_100000210202 [0,3,0,0,0,0|1,0,0]=4 20310 B13R1.1807 CCC(=O)c1cc(c(cc1C)F)Br 1458a_100000724332_100000210202 [0,3,0,0,0,0|1,0,0]=4 20311 B13R1.1807 CCC(=O)c1cc(c(cc1C)F)F 1458a_100000062099_100000210202 [0,3,0,0,0,0|1,0,0]=4 20312 B13R1.1807 CCC(=O)c1cc(c(cc1C)F)I 1458a_100013328184_100000210202 [0,3,0,0,0,0|1,0,0]=4 20313 B13R1.1807 CCC(=O)c1cc(c(cc1Cl)Br)Cl 1458a_100000246132_100000210202 [0,3,0,0,0,0|1,0,0]=4 20314 B13R1.1807 CCC(=O)c1cc(c(cc1Cl)Br)F 1458a_100000724438_100000210202 [0,3,0,0,0,0|1,0,0]=4 20315 B13R1.1807 CCC(=O)c1cc(c(cc1Cl)C)Cl 1458a_100013033594_100000210202 [0,3,0,0,0,0|1,0,0]=4 20316 B13R1.1807 CCC(=O)c1cc(c(cc1Cl)C)F 1458a_100009857485_100000210202 [0,3,0,0,0,0|1,0,0]=4 20317 B13R1.1807 CCC(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_100000210202 [0,3,0,0,0,0|1,0,0]=4 20318 B13R1.1807 CCC(=O)c1cc(c(cc1Cl)Cl)F 1458a_100000212284_100000210202 [0,3,0,0,0,0|1,0,0]=4 20319 B13R1.1807 CCC(=O)c1cc(c(cc1Cl)F)C 1458a_100000687843_100000210202 [0,3,0,0,0,0|0,0,0]=3 20320 B13R1.1807 CCC(=O)c1cc(c(cc1Cl)F)F 1458a_100025704182_100000210202 [0,3,0,0,0,0|1,0,0]=4 20321 B13R1.1807 CCC(=O)c1cc(c(cc1Cl)F)I 1458a_100012920486_100000210202 [0,3,0,0,0,0|1,0,0]=4 20322 B13R1.1807 CCC(=O)c1cc(c(cc1F)Br)Br 1458a_200011217225_100000210202 [0,3,0,0,0,0|1,0,0]=4 20323 B13R1.1807 CCC(=O)c1cc(c(cc1F)Br)C 1458a_100012354683_100000210202 [0,3,0,0,0,0|0,0,0]=3 20324 B13R1.1807 CCC(=O)c1cc(c(cc1F)Br)Cl 1458a_100012347732_100000210202 [0,3,0,0,0,0|1,0,0]=4 20325 B13R1.1807 CCC(=O)c1cc(c(cc1F)Br)F 1458a_100012024349_100000210202 [0,3,0,0,0,0|1,0,0]=4 20326 B13R1.1807 CCC(=O)c1cc(c(cc1F)C)Br 1458a_100012920545_100000210202 [0,3,0,0,0,0|1,0,0]=4 20327 B13R1.1807 CCC(=O)c1cc(c(cc1F)C)Cl 1458a_100012180961_100000210202 [0,3,0,0,0,0|1,0,0]=4 20328 B13R1.1807 CCC(=O)c1cc(c(cc1F)C)F 1458a_100000686409_100000210202 [0,3,0,0,0,0|1,0,0]=4 20329 B13R1.1807 CCC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_100000210202 [0,3,0,0,0,0|1,0,0]=4 20330 B13R1.1807 CCC(=O)c1cc(c(cc1F)Cl)Br 1458a_100011217226_100000210202 [0,3,0,0,0,0|1,0,0]=4 20331 B13R1.1807 CCC(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_100000210202 [0,3,0,0,0,0|1,0,0]=4 20332 B13R1.1807 CCC(=O)c1cc(c(cc1F)Cl)F 1458a_100000690020_100000210202 [0,3,0,0,0,0|1,0,0]=4 20333 B13R1.1807 CCC(=O)c1cc(c(cc1F)Cl)I 1458a_100012920488_100000210202 [0,3,0,0,0,0|1,0,0]=4 20334 B13R1.1807 CCC(=O)c1cc(c(cc1F)F)Br 1458a_100000718434_100000210202 [0,3,0,0,0,0|1,0,0]=4 20335 B13R1.1807 CCC(=O)c1cc(c(cc1F)F)C 1458a_100000767126_100000210202 [0,3,0,0,0,0|0,0,0]=3 20336 B13R1.1807 CCC(=O)c1cc(c(cc1F)F)Cl 1458a_100011997751_100000210202 [0,3,0,0,0,0|1,0,0]=4 20337 B13R1.1807 CCC(=O)c1cc(c(cc1F)F)F 1458a_100000687535_100000210202 [0,3,0,0,0,0|1,0,0]=4 20338 B13R1.1807 CCC(=O)c1cc(c(cc1F)F)I 1458a_100000691139_100000210202 [0,3,0,0,0,0|1,0,0]=4 20339 B13R1.1807 CCC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_100000210202 [0,3,0,0,0,0|1,0,0]=4 20340 B13R1.1807 CCC(=O)c1cc(c(cc1I)C)C 1458a_100010184404_100000210202 [0,3,0,0,0,0|0,0,0]=3 20341 B13R1.1807 CCC(=O)c1cc(c(cc1I)F)F 1458a_100000688017_100000210202 [0,3,0,0,0,0|1,0,0]=4 20342 B13R1.1807 CCC(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_100000210202 [0,3,0,0,0,0|1,0,0]=4 20343 B13R1.1807 CCC(=O)c1cc(c(cc1O)C)Br 1458a_100010233826_100000210202 [0,3,0,0,0,0|1,0,0]=4 20344 B13R1.1807 CCC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_100000210202 [0,3,0,0,0,0|0,0,0]=3 20345 B13R1.1807 CCC(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_100000210202 [0,3,0,0,0,0|1,0,0]=4 20346 B13R1.1807 CCC(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_100000210202 [0,3,0,0,0,0|1,0,0]=4 20347 B13R1.1807 CCC(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_100000210202 [0,3,0,0,0,0|1,0,0]=4 20348 B13R1.1807 CCC(=O)c1cc(c(cc1O)F)F 1458a_100012182723_100000210202 [0,3,0,0,0,0|1,0,0]=4 20349 B13R1.1807 CCC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_100000210202 [0,3,0,0,0,0|1,0,0]=4 20350 B13R1.1807 CNC(=O)c1cc(c(cc1Br)C)F 11a_106832991635_200012355688 [0,3,0,0,0,0|1,0,0]=4 20351 B13R1.1807 CNC(=O)c1cc(c(cc1Br)C)F 1626a_100102657272_200012355688 [0,3,0,0,0,0|1,0,0]=4 20352 B13R1.1807 CNC(=O)c1cc(c(cc1Br)C)F 240690a_100102657272_200012355688 [0,3,0,0,0,0|1,0,0]=4 20353 B13R1.1807 CNC(=O)c1cc(c(cc1Br)C)F 527a_100102657272_200012355688 [0,3,0,0,0,0|1,0,0]=4 20354 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)C 11a_106832991635_100010204433 [0,3,0,0,0,0|0,0,0]=3 20355 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)C 1626a_100102657272_100010204433 [0,3,0,0,0,0|0,0,0]=3 20356 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)C 240690a_100102657272_100010204433 [0,3,0,0,0,0|0,0,0]=3 20357 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)C 527a_100102657272_100010204433 [0,3,0,0,0,0|0,0,0]=3 20358 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)Cl 11a_106832991635_100012921620 [0,3,0,0,0,0|1,0,0]=4 20359 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)Cl 1626a_100102657272_100012921620 [0,3,0,0,0,0|1,0,0]=4 20360 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)Cl 240690a_100102657272_100012921620 [0,3,0,0,0,0|1,0,0]=4 20361 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)Cl 527a_100102657272_100012921620 [0,3,0,0,0,0|1,0,0]=4 20362 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)F 11a_106832991635_100000685074 [0,3,0,0,0,0|1,0,0]=4 20363 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)F 1626a_100102657272_100000685074 [0,3,0,0,0,0|1,0,0]=4 20364 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)F 240690a_100102657272_100000685074 [0,3,0,0,0,0|1,0,0]=4 20365 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)F 527a_100102657272_100000685074 [0,3,0,0,0,0|1,0,0]=4 20366 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)C 11a_106832991635_100000695896 [0,3,0,0,0,0|0,0,0]=3 20367 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)C 1626a_100102657272_100000695896 [0,3,0,0,0,0|0,0,0]=3 20368 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)C 240690a_100102657272_100000695896 [0,3,0,0,0,0|0,0,0]=3 20369 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)C 527a_100102657272_100000695896 [0,3,0,0,0,0|0,0,0]=3 20370 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)F 11a_106832991635_100012344525 [0,3,0,0,0,0|1,0,0]=4 20371 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)F 1626a_100102657272_100012344525 [0,3,0,0,0,0|1,0,0]=4 20372 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)F 240690a_100102657272_100012344525 [0,3,0,0,0,0|1,0,0]=4 20373 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)F 527a_100102657272_100012344525 [0,3,0,0,0,0|1,0,0]=4 20374 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)Br 11a_106832991635_100012920494 [0,3,0,0,0,0|1,0,0]=4 20375 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)Br 1626a_100102657272_100012920494 [0,3,0,0,0,0|1,0,0]=4 20376 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)Br 240690a_100102657272_100012920494 [0,3,0,0,0,0|1,0,0]=4 20377 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)Br 527a_100102657272_100012920494 [0,3,0,0,0,0|1,0,0]=4 20378 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)C 11a_106832991635_100011216168 [0,3,0,0,0,0|0,0,0]=3 20379 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)C 1626a_100102657272_100011216168 [0,3,0,0,0,0|0,0,0]=3 20380 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)C 240690a_100102657272_100011216168 [0,3,0,0,0,0|0,0,0]=3 20381 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)C 527a_100102657272_100011216168 [0,3,0,0,0,0|0,0,0]=3 20382 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)I 11a_106832991635_100000723791 [0,3,0,0,0,0|1,0,0]=4 20383 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)I 1626a_100102657272_100000723791 [0,3,0,0,0,0|1,0,0]=4 20384 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)I 240690a_100102657272_100000723791 [0,3,0,0,0,0|1,0,0]=4 20385 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)I 527a_100102657272_100000723791 [0,3,0,0,0,0|1,0,0]=4 20386 B13R1.1807 CNC(=O)c1cc(c(cc1C)Cl)Cl 11a_106832991635_100010439669 [0,3,0,0,0,0|1,0,0]=4 20387 B13R1.1807 CNC(=O)c1cc(c(cc1C)Cl)Cl 1626a_100102657272_100010439669 [0,3,0,0,0,0|1,0,0]=4 20388 B13R1.1807 CNC(=O)c1cc(c(cc1C)Cl)Cl 240690a_100102657272_100010439669 [0,3,0,0,0,0|1,0,0]=4 20389 B13R1.1807 CNC(=O)c1cc(c(cc1C)Cl)Cl 527a_100102657272_100010439669 [0,3,0,0,0,0|1,0,0]=4 20390 B13R1.1807 CNC(=O)c1cc(c(cc1C)Cl)F 11a_106832991635_200010768543 [0,3,0,0,0,0|1,0,0]=4 20391 B13R1.1807 CNC(=O)c1cc(c(cc1C)Cl)F 1626a_100102657272_200010768543 [0,3,0,0,0,0|1,0,0]=4 20392 B13R1.1807 CNC(=O)c1cc(c(cc1C)Cl)F 240690a_100102657272_200010768543 [0,3,0,0,0,0|1,0,0]=4 20393 B13R1.1807 CNC(=O)c1cc(c(cc1C)Cl)F 527a_100102657272_200010768543 [0,3,0,0,0,0|1,0,0]=4 20394 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)Br 11a_106832991635_100000724332 [0,3,0,0,0,0|1,0,0]=4 20395 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)Br 1626a_100102657272_100000724332 [0,3,0,0,0,0|1,0,0]=4 20396 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)Br 240690a_100102657272_100000724332 [0,3,0,0,0,0|1,0,0]=4 20397 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)Br 527a_100102657272_100000724332 [0,3,0,0,0,0|1,0,0]=4 20398 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)F 11a_106832991635_100000062099 [0,3,0,0,0,0|1,0,0]=4 20399 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)F 1626a_100102657272_100000062099 [0,3,0,0,0,0|1,0,0]=4 20400 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)F 240690a_100102657272_100000062099 [0,3,0,0,0,0|1,0,0]=4 20401 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)F 527a_100102657272_100000062099 [0,3,0,0,0,0|1,0,0]=4 20402 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)I 11a_106832991635_100013328184 [0,3,0,0,0,0|1,0,0]=4 20403 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)I 1626a_100102657272_100013328184 [0,3,0,0,0,0|1,0,0]=4 20404 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)I 240690a_100102657272_100013328184 [0,3,0,0,0,0|1,0,0]=4 20405 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)I 527a_100102657272_100013328184 [0,3,0,0,0,0|1,0,0]=4 20406 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Br)Cl 11a_106832991635_100000246132 [0,3,0,0,0,0|1,0,0]=4 20407 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Br)Cl 1626a_100102657272_100000246132 [0,3,0,0,0,0|1,0,0]=4 20408 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Br)Cl 240690a_100102657272_100000246132 [0,3,0,0,0,0|1,0,0]=4 20409 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Br)Cl 527a_100102657272_100000246132 [0,3,0,0,0,0|1,0,0]=4 20410 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Br)F 11a_106832991635_100000724438 [0,3,0,0,0,0|1,0,0]=4 20411 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Br)F 1626a_100102657272_100000724438 [0,3,0,0,0,0|1,0,0]=4 20412 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Br)F 240690a_100102657272_100000724438 [0,3,0,0,0,0|1,0,0]=4 20413 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Br)F 527a_100102657272_100000724438 [0,3,0,0,0,0|1,0,0]=4 20414 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)C)Cl 11a_106832991635_100013033594 [0,3,0,0,0,0|1,0,0]=4 20415 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)C)Cl 1626a_100102657272_100013033594 [0,3,0,0,0,0|1,0,0]=4 20416 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)C)Cl 240690a_100102657272_100013033594 [0,3,0,0,0,0|1,0,0]=4 20417 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)C)Cl 527a_100102657272_100013033594 [0,3,0,0,0,0|1,0,0]=4 20418 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)C)F 11a_106832991635_100009857485 [0,3,0,0,0,0|1,0,0]=4 20419 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)C)F 1626a_100102657272_100009857485 [0,3,0,0,0,0|1,0,0]=4 20420 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)C)F 240690a_100102657272_100009857485 [0,3,0,0,0,0|1,0,0]=4 20421 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)C)F 527a_100102657272_100009857485 [0,3,0,0,0,0|1,0,0]=4 20422 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Cl)Cl 11a_106832991635_100011934218 [0,3,0,0,0,0|1,0,0]=4 20423 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Cl)Cl 1626a_100102657272_100011934218 [0,3,0,0,0,0|1,0,0]=4 20424 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Cl)Cl 240690a_100102657272_100011934218 [0,3,0,0,0,0|1,0,0]=4 20425 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Cl)Cl 527a_100102657272_100011934218 [0,3,0,0,0,0|1,0,0]=4 20426 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Cl)F 11a_106832991635_100000212284 [0,3,0,0,0,0|1,0,0]=4 20427 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Cl)F 1626a_100102657272_100000212284 [0,3,0,0,0,0|1,0,0]=4 20428 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Cl)F 240690a_100102657272_100000212284 [0,3,0,0,0,0|1,0,0]=4 20429 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Cl)F 527a_100102657272_100000212284 [0,3,0,0,0,0|1,0,0]=4 20430 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)C 11a_106832991635_100000687843 [0,3,0,0,0,0|0,0,0]=3 20431 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)C 1626a_100102657272_100000687843 [0,3,0,0,0,0|0,0,0]=3 20432 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)C 240690a_100102657272_100000687843 [0,3,0,0,0,0|0,0,0]=3 20433 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)C 527a_100102657272_100000687843 [0,3,0,0,0,0|0,0,0]=3 20434 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)F 11a_106832991635_100025704182 [0,3,0,0,0,0|1,0,0]=4 20435 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)F 1626a_100102657272_100025704182 [0,3,0,0,0,0|1,0,0]=4 20436 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)F 240690a_100102657272_100025704182 [0,3,0,0,0,0|1,0,0]=4 20437 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)F 527a_100102657272_100025704182 [0,3,0,0,0,0|1,0,0]=4 20438 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)I 11a_106832991635_100012920486 [0,3,0,0,0,0|1,0,0]=4 20439 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)I 1626a_100102657272_100012920486 [0,3,0,0,0,0|1,0,0]=4 20440 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)I 240690a_100102657272_100012920486 [0,3,0,0,0,0|1,0,0]=4 20441 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)I 527a_100102657272_100012920486 [0,3,0,0,0,0|1,0,0]=4 20442 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)Br 11a_106832991635_200011217225 [0,3,0,0,0,0|1,0,0]=4 20443 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)Br 1626a_100102657272_200011217225 [0,3,0,0,0,0|1,0,0]=4 20444 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)Br 240690a_100102657272_200011217225 [0,3,0,0,0,0|1,0,0]=4 20445 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)Br 527a_100102657272_200011217225 [0,3,0,0,0,0|1,0,0]=4 20446 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)C 11a_106832991635_100012354683 [0,3,0,0,0,0|0,0,0]=3 20447 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)C 1626a_100102657272_100012354683 [0,3,0,0,0,0|0,0,0]=3 20448 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)C 240690a_100102657272_100012354683 [0,3,0,0,0,0|0,0,0]=3 20449 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)C 527a_100102657272_100012354683 [0,3,0,0,0,0|0,0,0]=3 20450 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)Cl 11a_106832991635_100012347732 [0,3,0,0,0,0|1,0,0]=4 20451 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)Cl 1626a_100102657272_100012347732 [0,3,0,0,0,0|1,0,0]=4 20452 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)Cl 240690a_100102657272_100012347732 [0,3,0,0,0,0|1,0,0]=4 20453 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)Cl 527a_100102657272_100012347732 [0,3,0,0,0,0|1,0,0]=4 20454 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)F 11a_106832991635_100012024349 [0,3,0,0,0,0|1,0,0]=4 20455 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)F 1626a_100102657272_100012024349 [0,3,0,0,0,0|1,0,0]=4 20456 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)F 240690a_100102657272_100012024349 [0,3,0,0,0,0|1,0,0]=4 20457 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)F 527a_100102657272_100012024349 [0,3,0,0,0,0|1,0,0]=4 20458 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)Br 11a_106832991635_100012920545 [0,3,0,0,0,0|1,0,0]=4 20459 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)Br 1626a_100102657272_100012920545 [0,3,0,0,0,0|1,0,0]=4 20460 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)Br 240690a_100102657272_100012920545 [0,3,0,0,0,0|1,0,0]=4 20461 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)Br 527a_100102657272_100012920545 [0,3,0,0,0,0|1,0,0]=4 20462 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)Cl 11a_106832991635_100012180961 [0,3,0,0,0,0|1,0,0]=4 20463 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)Cl 1626a_100102657272_100012180961 [0,3,0,0,0,0|1,0,0]=4 20464 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)Cl 240690a_100102657272_100012180961 [0,3,0,0,0,0|1,0,0]=4 20465 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)Cl 527a_100102657272_100012180961 [0,3,0,0,0,0|1,0,0]=4 20466 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)F 11a_106832991635_100000686409 [0,3,0,0,0,0|1,0,0]=4 20467 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)F 1626a_100102657272_100000686409 [0,3,0,0,0,0|1,0,0]=4 20468 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)F 240690a_100102657272_100000686409 [0,3,0,0,0,0|1,0,0]=4 20469 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)F 527a_100102657272_100000686409 [0,3,0,0,0,0|1,0,0]=4 20470 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)O 240690a_100102657272_100009839767 [0,3,0,0,0,0|1,0,0]=4 20471 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)Br 11a_106832991635_100011217226 [0,3,0,0,0,0|1,0,0]=4 20472 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)Br 1626a_100102657272_100011217226 [0,3,0,0,0,0|1,0,0]=4 20473 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)Br 240690a_100102657272_100011217226 [0,3,0,0,0,0|1,0,0]=4 20474 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)Br 527a_100102657272_100011217226 [0,3,0,0,0,0|1,0,0]=4 20475 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)Cl 11a_106832991635_100011217469 [0,3,0,0,0,0|1,0,0]=4 20476 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)Cl 1626a_100102657272_100011217469 [0,3,0,0,0,0|1,0,0]=4 20477 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)Cl 240690a_100102657272_100011217469 [0,3,0,0,0,0|1,0,0]=4 20478 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)Cl 527a_100102657272_100011217469 [0,3,0,0,0,0|1,0,0]=4 20479 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)F 11a_106832991635_100000690020 [0,3,0,0,0,0|1,0,0]=4 20480 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)F 1626a_100102657272_100000690020 [0,3,0,0,0,0|1,0,0]=4 20481 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)F 240690a_100102657272_100000690020 [0,3,0,0,0,0|1,0,0]=4 20482 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)F 527a_100102657272_100000690020 [0,3,0,0,0,0|1,0,0]=4 20483 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)I 11a_106832991635_100012920488 [0,3,0,0,0,0|1,0,0]=4 20484 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)I 1626a_100102657272_100012920488 [0,3,0,0,0,0|1,0,0]=4 20485 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)I 240690a_100102657272_100012920488 [0,3,0,0,0,0|1,0,0]=4 20486 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)I 527a_100102657272_100012920488 [0,3,0,0,0,0|1,0,0]=4 20487 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)Br 11a_106832991635_100000718434 [0,3,0,0,0,0|1,0,0]=4 20488 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)Br 1626a_100102657272_100000718434 [0,3,0,0,0,0|1,0,0]=4 20489 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)Br 240690a_100102657272_100000718434 [0,3,0,0,0,0|1,0,0]=4 20490 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)Br 527a_100102657272_100000718434 [0,3,0,0,0,0|1,0,0]=4 20491 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)C 11a_106832991635_100000767126 [0,3,0,0,0,0|0,0,0]=3 20492 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)C 1626a_100102657272_100000767126 [0,3,0,0,0,0|0,0,0]=3 20493 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)C 240690a_100102657272_100000767126 [0,3,0,0,0,0|0,0,0]=3 20494 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)C 527a_100102657272_100000767126 [0,3,0,0,0,0|0,0,0]=3 20495 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)Cl 11a_106832991635_100011997751 [0,3,0,0,0,0|1,0,0]=4 20496 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)Cl 1626a_100102657272_100011997751 [0,3,0,0,0,0|1,0,0]=4 20497 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)Cl 240690a_100102657272_100011997751 [0,3,0,0,0,0|1,0,0]=4 20498 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)Cl 527a_100102657272_100011997751 [0,3,0,0,0,0|1,0,0]=4 20499 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)F 11a_106832991635_100000687535 [0,3,0,0,0,0|1,0,0]=4 20500 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)F 1626a_100102657272_100000687535 [0,3,0,0,0,0|1,0,0]=4 20501 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)F 240690a_100102657272_100000687535 [0,3,0,0,0,0|1,0,0]=4 20502 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)F 527a_100102657272_100000687535 [0,3,0,0,0,0|1,0,0]=4 20503 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)I 11a_106832991635_100000691139 [0,3,0,0,0,0|1,0,0]=4 20504 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)I 1626a_100102657272_100000691139 [0,3,0,0,0,0|1,0,0]=4 20505 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)I 240690a_100102657272_100000691139 [0,3,0,0,0,0|1,0,0]=4 20506 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)I 527a_100102657272_100000691139 [0,3,0,0,0,0|1,0,0]=4 20507 B13R1.1807 CNC(=O)c1cc(c(cc1F)O)Cl 240690a_100102657272_200009924051 [0,3,0,0,0,0|1,0,0]=4 20508 B13R1.1807 CNC(=O)c1cc(c(cc1F)O)Cl 527a_100102657272_200009924051 [0,3,0,0,0,0|1,0,0]=4 20509 B13R1.1807 CNC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_200107972064 [0,3,0,0,0,0|1,0,0]=4 20510 B13R1.1807 CNC(=O)c1cc(c(cc1I)C)C 11a_106832991635_100010184404 [0,3,0,0,0,0|0,0,0]=3 20511 B13R1.1807 CNC(=O)c1cc(c(cc1I)C)C 1626a_100102657272_100010184404 [0,3,0,0,0,0|0,0,0]=3 20512 B13R1.1807 CNC(=O)c1cc(c(cc1I)C)C 240690a_100102657272_100010184404 [0,3,0,0,0,0|0,0,0]=3 20513 B13R1.1807 CNC(=O)c1cc(c(cc1I)C)C 527a_100102657272_100010184404 [0,3,0,0,0,0|0,0,0]=3 20514 B13R1.1807 CNC(=O)c1cc(c(cc1I)F)F 11a_106832991635_100000688017 [0,3,0,0,0,0|1,0,0]=4 20515 B13R1.1807 CNC(=O)c1cc(c(cc1I)F)F 1626a_100102657272_100000688017 [0,3,0,0,0,0|1,0,0]=4 20516 B13R1.1807 CNC(=O)c1cc(c(cc1I)F)F 240690a_100102657272_100000688017 [0,3,0,0,0,0|1,0,0]=4 20517 B13R1.1807 CNC(=O)c1cc(c(cc1I)F)F 527a_100102657272_100000688017 [0,3,0,0,0,0|1,0,0]=4 20518 B13R1.1807 CNC(=O)c1cc(c(cc1O)Br)F 240690a_100102657272_100010827371 [0,3,0,0,0,0|1,0,0]=4 20519 B13R1.1807 CNC(=O)c1cc(c(cc1O)Br)F 527a_100102657272_100010827371 [0,3,0,0,0,0|1,0,0]=4 20520 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)Br 240690a_100102657272_100010233826 [0,3,0,0,0,0|1,0,0]=4 20521 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)Br 527a_100102657272_100010233826 [0,3,0,0,0,0|1,0,0]=4 20522 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)C 240690a_100102657272_100009831561 [0,3,0,0,0,0|0,0,0]=3 20523 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)C 527a_100102657272_100009831561 [0,3,0,0,0,0|0,0,0]=3 20524 B13R1.1807 CNC(=O)c1cc(c(cc1O)Cl)Br 240690a_100102657272_200009814723 [0,3,0,0,0,0|1,0,0]=4 20525 B13R1.1807 CNC(=O)c1cc(c(cc1O)Cl)Br 527a_100102657272_200009814723 [0,3,0,0,0,0|1,0,0]=4 20526 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)Br 240690a_100102657272_100010188153 [0,3,0,0,0,0|1,0,0]=4 20527 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)Br 527a_100102657272_100010188153 [0,3,0,0,0,0|1,0,0]=4 20528 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)Cl 240690a_100102657272_100009910333 [0,3,0,0,0,0|1,0,0]=4 20529 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)Cl 527a_100102657272_100009910333 [0,3,0,0,0,0|1,0,0]=4 20530 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)F 240690a_100102657272_100012182723 [0,3,0,0,0,0|1,0,0]=4 20531 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)F 527a_100102657272_100012182723 [0,3,0,0,0,0|1,0,0]=4 20532 B13R1.1807 CNC(=O)c1cc(c(cc1O)O)Br 527a_100102657272_100009813906 [0,3,0,0,0,0|1,0,0]=4 20533 B13R1.1807 COC(=O)c1cc(c(cc1C)C)O 271570a_203496583355_200012360129 [0,3,0,0,0,0|1,0,0]=4 20534 B13R1.1807 COC(=O)c1cc(c(cc1C)F)O 271570a_203496583355_100013328185 [0,3,0,0,0,0|1,0,0]=4 20535 B13R1.1807 COC(=O)c1cc(c(cc1C)N)O 271570a_203496583355_100010236254 [0,3,0,0,0,0|1,0,0]=4 20536 B13R1.1807 COC(=O)c1cc(c(cc1C)O)F 271570a_203496583355_100010291504 [0,3,0,0,0,0|1,0,0]=4 20537 B13R1.1807 COC(=O)c1cc(c(cc1Cl)C)O 271570a_203496583355_100014124666 [0,3,0,0,0,0|1,0,0]=4 20538 B13R1.1807 COC(=O)c1cc(c(cc1Cl)N)O 271570a_203496583355_100010204190 [0,3,0,0,0,0|1,0,0]=4 20539 B13R1.1807 COC(=O)c1cc(c(cc1F)C)O 271570a_203496583355_100012920548 [0,3,0,0,0,0|1,0,0]=4 20540 B13R1.1807 COC(=O)c1cc(c(cc1F)Cl)O 271570a_203496583355_100012920370 [0,3,0,0,0,0|1,0,0]=4 20541 B13R1.1807 COC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100000718433 [0,3,0,0,0,0|1,0,0]=4 20542 B13R1.1807 COC(=O)c1cc(c(cc1F)N)O 271570a_203496583355_100010764354 [0,3,0,0,0,0|1,0,0]=4 20543 B13R1.1807 COC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010769226 [0,3,0,0,0,0|1,0,0]=4 20544 B13R1.1807 COC(=O)c1cc(c(cc1F)O)N 271570a_203496583355_100000760059 [0,3,0,0,0,0|1,0,0]=4 20545 B13R1.1807 COC(=O)c1cc(c(cc1N)C)O 271570a_203496583355_100010892302 [0,3,0,0,0,0|1,0,0]=4 20546 B13R1.1807 COC(=O)c1cc(c(cc1N)Cl)O 271570a_203496583355_100010253894 [0,3,0,0,0,0|1,0,0]=4 20547 B13R1.1807 COC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100000699149 [0,3,0,0,0,0|1,0,0]=4 20548 B13R1.1807 COC(=O)c1cc(c(cc1N)O)F 271570a_203496583355_100000724440 [0,3,0,0,0,0|1,0,0]=4 20549 B13R1.1807 COC(=O)c1cc(c(cc1O)Br)F 271570a_203496583355_100014686389 [0,3,0,0,0,0|1,0,0]=4 20550 B13R1.1807 COC(=O)c1cc(c(cc1O)C)F 271570a_203496583355_100015763395 [0,3,0,0,0,0|1,0,0]=4 20551 B13R1.1807 COC(=O)c1cc(c(cc1O)C)N 271570a_203496583355_100000730709 [0,3,0,0,0,0|1,0,0]=4 20552 B13R1.1807 COC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_100010233952 [0,3,0,0,0,0|1,0,0]=4 20553 B13R1.1807 COC(=O)c1cc(c(cc1O)Cl)Br 271570a_203496583355_200012920379 [0,3,0,0,0,0|1,0,0]=4 20554 B13R1.1807 COC(=O)c1cc(c(cc1O)F)C 271570a_203496583355_100015451887 [0,3,0,0,0,0|0,0,0]=3 20555 B13R1.1807 COC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100010195689 [0,3,0,0,0,0|1,0,0]=4 20556 B13R1.1807 COC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100010371811 [0,3,0,0,0,0|1,0,0]=4 20557 B13R1.1807 COC(=O)c1cc(c(cc1O)N)F 271570a_203496583355_100010764352 [0,3,0,0,0,0|1,0,0]=4 20558 B13R1.1807 COC(=O)c1cc(c(cc1O)N)O 271570a_203496583355_100010075205 [0,3,0,0,0,0|1,0,0]=4 20559 B13R1.1807 COC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_100010760826 [0,3,0,0,0,0|1,0,0]=4 20560 B13R1.1807 Cc1cc(c(cc1Br)C(=O)CF)C 1458a_100012920494_100015361967 [0,3,0,0,0,0|1,0,0]=4 20561 B13R1.1807 Cc1cc(c(cc1Br)C(=O)CF)F 1458a_100012920545_100015361967 [0,3,0,0,0,0|1,0,0]=4 20562 B13R1.1807 Cc1cc(c(cc1Br)C(=O)CF)O 1458a_100010233826_100015361967 [0,3,0,0,0,0|1,0,0]=4 20563 B13R1.1807 Cc1cc(c(cc1Br)C)C(=O)CF 1458a_100000695896_100015361967 [0,3,0,0,0,0|0,0,0]=3 20564 B13R1.1807 Cc1cc(c(cc1Br)F)C(=O)CF 1458a_100012354683_100015361967 [0,3,0,0,0,0|0,0,0]=3 20565 B13R1.1807 Cc1cc(c(cc1C(=O)CF)Br)F 1458a_100000724332_100015361967 [0,3,0,0,0,0|1,0,0]=4 20566 B13R1.1807 Cc1cc(c(cc1C(=O)CF)Cl)Cl 1458a_100010439669_100015361967 [0,3,0,0,0,0|1,0,0]=4 20567 B13R1.1807 Cc1cc(c(cc1C(=O)CF)F)Br 1458a_100012344525_100015361967 [0,3,0,0,0,0|1,0,0]=4 20568 B13R1.1807 Cc1cc(c(cc1C(=O)CF)F)Cl 1458a_200010768543_100015361967 [0,3,0,0,0,0|1,0,0]=4 20569 B13R1.1807 Cc1cc(c(cc1C(=O)CF)F)F 1458a_100000062099_100015361967 [0,3,0,0,0,0|1,0,0]=4 20570 B13R1.1807 Cc1cc(c(cc1C(=O)CF)I)F 1458a_100013328184_100015361967 [0,3,0,0,0,0|1,0,0]=4 20571 B13R1.1807 Cc1cc(c(cc1C)C(=O)CF)C 1458a_100011216168_100015361967 [0,3,0,0,0,0|0,0,0]=3 20572 B13R1.1807 Cc1cc(c(cc1C)C(=O)CF)I 1458a_100010184404_100015361967 [0,3,0,0,0,0|0,0,0]=3 20573 B13R1.1807 Cc1cc(c(cc1C)C(=O)CF)O 1458a_100009831561_100015361967 [0,3,0,0,0,0|0,0,0]=3 20574 B13R1.1807 Cc1cc(c(cc1Cl)C(=O)CF)Cl 1458a_100013033594_100015361967 [0,3,0,0,0,0|1,0,0]=4 20575 B13R1.1807 Cc1cc(c(cc1Cl)C(=O)CF)F 1458a_100012180961_100015361967 [0,3,0,0,0,0|1,0,0]=4 20576 B13R1.1807 Cc1cc(c(cc1F)Br)C(=O)CF 1458a_100010204433_100015361967 [0,3,0,0,0,0|0,0,0]=3 20577 B13R1.1807 Cc1cc(c(cc1F)C(=O)CF)Br 1458a_200012355688_100015361967 [0,3,0,0,0,0|1,0,0]=4 20578 B13R1.1807 Cc1cc(c(cc1F)C(=O)CF)Cl 1458a_100009857485_100015361967 [0,3,0,0,0,0|1,0,0]=4 20579 B13R1.1807 Cc1cc(c(cc1F)C(=O)CF)F 1458a_100000686409_100015361967 [0,3,0,0,0,0|1,0,0]=4 20580 B13R1.1807 Cc1cc(c(cc1F)Cl)C(=O)CF 1458a_100000687843_100015361967 [0,3,0,0,0,0|0,0,0]=3 20581 B13R1.1807 Cc1cc(c(cc1F)F)C(=O)CF 1458a_100000767126_100015361967 [0,3,0,0,0,0|0,0,0]=3 20582 B13R1.1807 Cc1cc(c(cc1I)C(=O)CF)C 1458a_100000723791_100015361967 [0,3,0,0,0,0|1,0,0]=4 20583 B13R1.1807 Cc1cc(c(cc1O)C(=O)CF)F 1458a_100009839767_100015361967 [0,3,0,0,0,0|1,0,0]=4 20584 B13R1.1807 O=C(CF)c1cc(c(cc1Br)F)Cl 1458a_100012921620_100015361967 [0,3,0,0,0,0|1,0,0]=4 20585 B13R1.1807 O=C(CF)c1cc(c(cc1Br)F)F 1458a_100000685074_100015361967 [0,3,0,0,0,0|1,0,0]=4 20586 B13R1.1807 O=C(CF)c1cc(c(cc1Cl)Br)Cl 1458a_100000246132_100015361967 [0,3,0,0,0,0|1,0,0]=4 20587 B13R1.1807 O=C(CF)c1cc(c(cc1Cl)Br)F 1458a_100000724438_100015361967 [0,3,0,0,0,0|1,0,0]=4 20588 B13R1.1807 O=C(CF)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_100015361967 [0,3,0,0,0,0|1,0,0]=4 20589 B13R1.1807 O=C(CF)c1cc(c(cc1Cl)Cl)F 1458a_100000212284_100015361967 [0,3,0,0,0,0|1,0,0]=4 20590 B13R1.1807 O=C(CF)c1cc(c(cc1Cl)F)F 1458a_100025704182_100015361967 [0,3,0,0,0,0|1,0,0]=4 20591 B13R1.1807 O=C(CF)c1cc(c(cc1Cl)F)I 1458a_100012920486_100015361967 [0,3,0,0,0,0|1,0,0]=4 20592 B13R1.1807 O=C(CF)c1cc(c(cc1F)Br)Br 1458a_200011217225_100015361967 [0,3,0,0,0,0|1,0,0]=4 20593 B13R1.1807 O=C(CF)c1cc(c(cc1F)Br)Cl 1458a_100012347732_100015361967 [0,3,0,0,0,0|1,0,0]=4 20594 B13R1.1807 O=C(CF)c1cc(c(cc1F)Br)F 1458a_100012024349_100015361967 [0,3,0,0,0,0|1,0,0]=4 20595 B13R1.1807 O=C(CF)c1cc(c(cc1F)Cl)Br 1458a_100011217226_100015361967 [0,3,0,0,0,0|1,0,0]=4 20596 B13R1.1807 O=C(CF)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_100015361967 [0,3,0,0,0,0|1,0,0]=4 20597 B13R1.1807 O=C(CF)c1cc(c(cc1F)Cl)F 1458a_100000690020_100015361967 [0,3,0,0,0,0|1,0,0]=4 20598 B13R1.1807 O=C(CF)c1cc(c(cc1F)Cl)I 1458a_100012920488_100015361967 [0,3,0,0,0,0|1,0,0]=4 20599 B13R1.1807 O=C(CF)c1cc(c(cc1F)F)Br 1458a_100000718434_100015361967 [0,3,0,0,0,0|1,0,0]=4 20600 B13R1.1807 O=C(CF)c1cc(c(cc1F)F)Cl 1458a_100011997751_100015361967 [0,3,0,0,0,0|1,0,0]=4 20601 B13R1.1807 O=C(CF)c1cc(c(cc1F)F)F 1458a_100000687535_100015361967 [0,3,0,0,0,0|1,0,0]=4 20602 B13R1.1807 O=C(CF)c1cc(c(cc1F)F)I 1458a_100000691139_100015361967 [0,3,0,0,0,0|1,0,0]=4 20603 B13R1.1807 O=C(CF)c1cc(c(cc1F)O)Cl 1458a_200009924051_100015361967 [0,3,0,0,0,0|1,0,0]=4 20604 B13R1.1807 O=C(CF)c1cc(c(cc1I)F)F 1458a_100000688017_100015361967 [0,3,0,0,0,0|1,0,0]=4 20605 B13R1.1807 O=C(CF)c1cc(c(cc1O)Br)F 1458a_100010827371_100015361967 [0,3,0,0,0,0|1,0,0]=4 20606 B13R1.1807 O=C(CF)c1cc(c(cc1O)Cl)Br 1458a_200009814723_100015361967 [0,3,0,0,0,0|1,0,0]=4 20607 B13R1.1807 O=C(CF)c1cc(c(cc1O)F)Br 1458a_100010188153_100015361967 [0,3,0,0,0,0|1,0,0]=4 20608 B13R1.1807 O=C(CF)c1cc(c(cc1O)F)Cl 1458a_100009910333_100015361967 [0,3,0,0,0,0|1,0,0]=4 20609 B13R1.1807 O=C(CF)c1cc(c(cc1O)F)F 1458a_100012182723_100015361967 [0,3,0,0,0,0|1,0,0]=4 20610 B13R1.1807 O=C(CF)c1cc(c(cc1O)O)Br 1458a_100009813906_100015361967 [0,3,0,0,0,0|1,0,0]=4 20611 B13R1.2398 C=C(C)c1cc(c(cc1C#N)F)C 271570a_100000694244_100010186300 [0,3,0,0,0,0|1,0,0]=4 20612 B13R1.2398 C=C(C)c1cc(c(cc1C=O)C)C 271570a_100000694244_100010184403 [0,3,0,0,0,0|1,0,0]=4 20613 B13R1.2398 C=C(C)c1cc(c(cc1C=O)F)C 271570a_100000694244_100010186290 [0,3,0,0,0,0|1,0,0]=4 20614 B13R1.2398 C=C(C)c1cc(c(cc1C=O)O)C 271570a_100000694244_100010186689 [0,3,0,0,0,0|1,0,0]=4 20615 B13R1.2398 C=C(C)c1cc(c(cc1CO)C)C 271570a_100000694244_100010184405 [0,3,0,0,0,0|1,0,0]=4 20616 B13R1.2398 C=C(C)c1cc(c(cc1OC)F)C 271570a_100000694244_100010201977 [0,3,0,0,0,0|1,0,0]=4 20617 B13R1.2398 C=C(C)c1cc(c(cc1OC)N)C 271570a_100000694244_100010232211 [0,3,0,0,0,0|1,0,0]=4 20618 B13R1.2398 C=Cc1cc(c(cc1C(=O)C)F)F 271570a_100011290941_100013243444 [0,3,0,0,0,0|1,0,0]=4 20619 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Br)C 34a_100009816031_200025704644 [0,3,0,0,0,0|0,0,0]=3 20620 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Br)C 7a_100009816031_200025704644 [0,3,0,0,0,0|0,0,0]=3 20621 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Br)F 34a_200010245088_200025704644 [0,3,0,0,0,0|1,0,0]=4 20622 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Br)F 7a_200010245088_200025704644 [0,3,0,0,0,0|1,0,0]=4 20623 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)Br 34a_200010233951_200025704644 [0,3,0,0,0,0|1,0,0]=4 20624 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)Br 7a_200010233951_200025704644 [0,3,0,0,0,0|1,0,0]=4 20625 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)C 34a_100000014572_200025704644 [0,3,0,0,0,0|0,0,0]=3 20626 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)C 7a_100000014572_200025704644 [0,3,0,0,0,0|0,0,0]=3 20627 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)Cl 34a_100000014566_200025704644 [0,3,0,0,0,0|1,0,0]=4 20628 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)Cl 7a_100000014566_200025704644 [0,3,0,0,0,0|1,0,0]=4 20629 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Cl)Cl 34a_100000720105_200025704644 [0,3,0,0,0,0|1,0,0]=4 20630 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Cl)Cl 7a_100000720105_200025704644 [0,3,0,0,0,0|1,0,0]=4 20631 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])F)Br 34a_100000691652_200025704644 [0,3,0,0,0,0|1,0,0]=4 20632 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])F)Br 7a_100000691652_200025704644 [0,3,0,0,0,0|1,0,0]=4 20633 B13R1.2398 CC(=O)c1cc(c(cc1S[13CH3])F)F 62a_100013243444_200025704644 [0,3,0,0,0,0|1,0,0]=4 20634 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)C 1458a_100000728833_200000210301 [0,3,0,0,0,0|1,0,0]=4 20635 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)C 34a_200010233951_200000210301 [0,3,0,0,0,0|1,0,0]=4 20636 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)C 7a_200010233951_200000210301 [0,3,0,0,0,0|1,0,0]=4 20637 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)Cl 1458a_100000760434_200000210301 [0,3,0,0,0,0|1,0,0]=4 20638 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)F 1458a_100012355408_200000210301 [0,3,0,0,0,0|1,0,0]=4 20639 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)F 34a_100000691652_200000210301 [0,3,0,0,0,0|1,0,0]=4 20640 B13R1.2398 COc1cc(c(cc1C(=O)C)Br)F 7a_100000691652_200000210301 [0,3,0,0,0,0|1,0,0]=4 20641 B13R1.2398 COc1cc(c(cc1C(=O)C)C)Br 34a_100009816031_200000210301 [0,3,0,0,0,0|0,0,0]=3 20642 B13R1.2398 COc1cc(c(cc1C(=O)C)C)Br 7a_100009816031_200000210301 [0,3,0,0,0,0|0,0,0]=3 20643 B13R1.2398 COc1cc(c(cc1C(=O)C)C)C 34a_100000014572_200000210301 [0,3,0,0,0,0|0,0,0]=3 20644 B13R1.2398 COc1cc(c(cc1C(=O)C)C)C 7a_100000014572_200000210301 [0,3,0,0,0,0|0,0,0]=3 20645 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)C 34a_100000014566_200000210301 [0,3,0,0,0,0|1,0,0]=4 20646 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)C 7a_100000014566_200000210301 [0,3,0,0,0,0|1,0,0]=4 20647 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)Cl 1458a_100000684457_200000210301 [0,3,0,0,0,0|1,0,0]=4 20648 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)Cl 34a_100000720105_200000210301 [0,3,0,0,0,0|1,0,0]=4 20649 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)Cl 7a_100000720105_200000210301 [0,3,0,0,0,0|1,0,0]=4 20650 B13R1.2398 COc1cc(c(cc1C(=O)C)Cl)I 1458a_200000738201_200000210301 [0,3,0,0,0,0|1,0,0]=4 20651 B13R1.2398 COc1cc(c(cc1C(=O)C)F)Br 1458a_100010827335_200000210301 [0,3,0,0,0,0|1,0,0]=4 20652 B13R1.2398 COc1cc(c(cc1C(=O)C)F)Br 34a_200010245088_200000210301 [0,3,0,0,0,0|1,0,0]=4 20653 B13R1.2398 COc1cc(c(cc1C(=O)C)F)Br 7a_200010245088_200000210301 [0,3,0,0,0,0|1,0,0]=4 20654 B13R1.2398 COc1cc(c(cc1C(=O)C)F)F 1458a_100000062012_200000210301 [0,3,0,0,0,0|1,0,0]=4 20655 B13R1.2398 COc1cc(c(cc1C(=O)C)I)Cl 1458a_100013369036_200000210301 [0,3,0,0,0,0|1,0,0]=4 20656 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])Br)C 1458a_100000728833_200025704644 [0,3,0,0,0,0|1,0,0]=4 20657 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])Br)Cl 1458a_100000760434_200025704644 [0,3,0,0,0,0|1,0,0]=4 20658 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])Br)F 1458a_100012355408_200025704644 [0,3,0,0,0,0|1,0,0]=4 20659 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])Cl)Cl 1458a_100000684457_200025704644 [0,3,0,0,0,0|1,0,0]=4 20660 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])Cl)I 1458a_200000738201_200025704644 [0,3,0,0,0,0|1,0,0]=4 20661 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])F)Br 1458a_100010827335_200025704644 [0,3,0,0,0,0|1,0,0]=4 20662 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])F)F 1458a_100000062012_200025704644 [0,3,0,0,0,0|1,0,0]=4 20663 B13R1.2398 COc1cc(c(cc1C(=O)[13CH3])I)Cl 1458a_100013369036_200025704644 [0,3,0,0,0,0|1,0,0]=4 20664 B13R1.2398 CSc1cc(c(cc1C(=O)C)F)F 62a_100013243444_200000210301 [0,3,0,0,0,0|1,0,0]=4 20665 B13R1.2811 C=C(C)c1cc(c(c(c1C)C)N)N 271570a_100000694244_100009812817 [0,3,0,0,0,0|1,0,0]=4 20666 B13R1.2811 C=C(C)c1cc(c(c(c1C)C)O)C 271570a_100000694244_200012339818 [0,3,0,0,0,0|1,0,0]=4 20667 B13R1.2811 C=C(C)c1cc(c(c(c1F)C)F)F 271570a_100000694244_200010072831 [0,3,0,0,0,0|1,0,0]=4 20668 B13R1.2811 CC(=O)c1cc(c(c(c1Cl)Cl)Cl)Cl 1458a_100009827746_200000210301 [0,3,0,0,0,0|1,0,0]=4 20669 B13R1.2811 CC(=O)c1cc(c(c(c1F)Br)F)F 1458a_100009814451_200000210301 [0,3,0,0,0,0|1,0,0]=4 20670 B13R1.2811 CC(=O)c1cc(c(c(c1F)C)F)Br 1458a_202127377203_200000210301 [0,3,0,0,0,0|0,0,0]=3 20671 B13R1.2811 CC(=O)c1cc(c(c(c1F)C)F)F 1458a_200000081832_200000210301 [0,3,0,0,0,0|0,0,0]=3 20672 B13R1.2811 CC(=O)c1cc(c(c(c1F)Cl)F)F 1458a_100000037259_200000210301 [0,3,0,0,0,0|1,0,0]=4 20673 B13R1.2811 CC(=O)c1cc(c(c(c1F)F)C)F 1458a_100009859303_200000210301 [0,3,0,0,0,0|1,0,0]=4 20674 B13R1.2811 CC(=O)c1cc(c(c(c1F)F)F)Br 1458a_100010161349_200000210301 [0,3,0,0,0,0|1,0,0]=4 20675 B13R1.2811 CC(=O)c1cc(c(c(c1F)F)F)F 1458a_100000183550_200000210301 [0,3,0,0,0,0|1,0,0]=4 20676 B13R1.2811 CC(=O)c1cc(c(c(c1F)F)O)F 1458a_100000088966_200000210301 [0,3,0,0,0,0|1,0,0]=4 20677 B13R1.2811 CC(=O)c1cc(c(c(c1F)O)F)F 1458a_100000737090_200000210301 [0,3,0,0,0,0|1,0,0]=4 20678 B13R1.2811 Cc1c(c(cc(c1F)C(=O)[13CH3])Br)F 1458a_202127377203_200025704644 [0,3,0,0,0,0|0,0,0]=3 20679 B13R1.2811 Cc1c(c(cc(c1F)C(=O)[13CH3])F)F 1458a_200000081832_200025704644 [0,3,0,0,0,0|0,0,0]=3 20680 B13R1.2811 Cc1c(cc(c(c1F)F)C(=O)[13CH3])F 1458a_100009859303_200025704644 [0,3,0,0,0,0|1,0,0]=4 20681 B13R1.2811 [13CH3]C(=O)c1cc(c(c(c1Cl)Cl)Cl)Cl 1458a_100009827746_200025704644 [0,3,0,0,0,0|1,0,0]=4 20682 B13R1.2811 [13CH3]C(=O)c1cc(c(c(c1F)Br)F)F 1458a_100009814451_200025704644 [0,3,0,0,0,0|1,0,0]=4 20683 B13R1.2811 [13CH3]C(=O)c1cc(c(c(c1F)Cl)F)F 1458a_100000037259_200025704644 [0,3,0,0,0,0|1,0,0]=4 20684 B13R1.2811 [13CH3]C(=O)c1cc(c(c(c1F)F)F)Br 1458a_100010161349_200025704644 [0,3,0,0,0,0|1,0,0]=4 20685 B13R1.2811 [13CH3]C(=O)c1cc(c(c(c1F)F)F)F 1458a_100000183550_200025704644 [0,3,0,0,0,0|1,0,0]=4 20686 B13R1.2811 [13CH3]C(=O)c1cc(c(c(c1F)F)O)F 1458a_100000088966_200025704644 [0,3,0,0,0,0|1,0,0]=4 20687 B13R1.2811 [13CH3]C(=O)c1cc(c(c(c1F)O)F)F 1458a_100000737090_200025704644 [0,3,0,0,0,0|1,0,0]=4 20688 B13R1.2812 C=C(C)c1c(cc(c(c1C)C)O)C 271570a_100000694244_100000730119 [0,3,0,0,0,0|1,0,0]=4 20689 B13R1.2812 CC(=O)c1c(cc(c(c1Br)O)Br)Br 1458a_100009813419_200000210301 [0,3,0,0,0,0|1,0,0]=4 20690 B13R1.2812 CC(=O)c1c(cc(c(c1Br)O)C)C 1458a_200009992459_200000210301 [0,3,0,0,0,0|1,0,0]=4 20691 B13R1.2812 CC(=O)c1c(cc(c(c1F)C)F)Br 1458a_200052017392_200000210301 [0,3,0,0,0,0|0,0,0]=3 20692 B13R1.2812 CC(=O)c1c(cc(c(c1F)Cl)F)Br 1458a_100010244573_200000210301 [0,3,0,0,0,0|1,0,0]=4 20693 B13R1.2812 CC(=O)c1c(cc(c(c1F)F)Br)F 1458a_100010164222_200000210301 [0,3,0,0,0,0|1,0,0]=4 20694 B13R1.2812 CC(=O)c1c(cc(c(c1F)F)F)Br 1458a_100010215015_200000210301 [0,3,0,0,0,0|1,0,0]=4 20695 B13R1.2812 CC(=O)c1c(cc(c(c1F)F)F)F 1458a_100000037219_200000210301 [0,3,0,0,0,0|1,0,0]=4 20696 B13R1.2812 CC(=O)c1c(cc(c(c1I)I)I)I 1458a_100102586059_200000210301 [0,3,0,0,0,0|1,0,0]=4 20697 B13R1.2812 CC(=O)c1c(cc(c(c1I)O)I)I 1458a_200000042944_200000210301 [0,3,0,0,0,0|1,0,0]=4 20698 B13R1.2812 Cc1c(cc(c(c1F)C(=O)[13CH3])Br)F 1458a_200052017392_200025704644 [0,3,0,0,0,0|0,0,0]=3 20699 B13R1.2812 Cc1cc(c(c(c1O)Br)C(=O)[13CH3])C 1458a_200009992459_200025704644 [0,3,0,0,0,0|1,0,0]=4 20700 B13R1.2812 [13CH3]C(=O)c1c(cc(c(c1Br)O)Br)Br 1458a_100009813419_200025704644 [0,3,0,0,0,0|1,0,0]=4 20701 B13R1.2812 [13CH3]C(=O)c1c(cc(c(c1F)Cl)F)Br 1458a_100010244573_200025704644 [0,3,0,0,0,0|1,0,0]=4 20702 B13R1.2812 [13CH3]C(=O)c1c(cc(c(c1F)F)Br)F 1458a_100010164222_200025704644 [0,3,0,0,0,0|1,0,0]=4 20703 B13R1.2812 [13CH3]C(=O)c1c(cc(c(c1F)F)F)Br 1458a_100010215015_200025704644 [0,3,0,0,0,0|1,0,0]=4 20704 B13R1.2812 [13CH3]C(=O)c1c(cc(c(c1F)F)F)F 1458a_100000037219_200025704644 [0,3,0,0,0,0|1,0,0]=4 20705 B13R1.2812 [13CH3]C(=O)c1c(cc(c(c1I)I)I)I 1458a_100102586059_200025704644 [0,3,0,0,0,0|1,0,0]=4 20706 B13R1.2812 [13CH3]C(=O)c1c(cc(c(c1I)O)I)I 1458a_200000042944_200025704644 [0,3,0,0,0,0|1,0,0]=4 20707 B13R1.466 C#CCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000184674 [0,3,0,0,0,0|1,0,0]=4 20708 B13R1.466 C#CCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000184674 [0,3,0,0,0,0|1,0,0]=4 20709 B13R1.466 C#CCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000184674 [0,3,0,0,0,0|1,0,0]=4 20710 B13R1.466 C#CCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000184674 [0,3,0,0,0,0|1,0,0]=4 20711 B13R1.466 C#CCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000184674 [0,3,0,0,0,0|1,0,0]=4 20712 B13R1.466 C#CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000184674 [0,3,0,0,0,0|1,0,0]=4 20713 B13R1.466 C#CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000184674 [0,3,0,0,0,0|0,0,0]=3 20714 B13R1.466 C#CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000184674 [0,3,0,0,0,0|0,0,0]=3 20715 B13R1.466 C#CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000184674 [0,3,0,0,0,0|0,0,0]=3 20716 B13R1.466 C#CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000184674 [0,3,0,0,0,0|0,0,0]=3 20717 B13R1.466 C#CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000184674 [0,3,0,0,0,0|0,0,0]=3 20718 B13R1.466 C#CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000184674 [0,3,0,0,0,0|0,0,0]=3 20719 B13R1.466 C#CCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000184674 [0,3,0,0,0,0|1,0,0]=4 20720 B13R1.466 C#CCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000184674 [0,3,0,0,0,0|1,0,0]=4 20721 B13R1.466 C#CCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000184674 [0,3,0,0,0,0|1,0,0]=4 20722 B13R1.466 C#CCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000184674 [0,3,0,0,0,0|1,0,0]=4 20723 B13R1.466 C#CCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000184674 [0,3,0,0,0,0|1,0,0]=4 20724 B13R1.466 C#CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000184674 [0,3,0,0,0,0|1,0,0]=4 20725 B13R1.466 C#CCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000184674 [0,3,0,0,0,0|1,0,0]=4 20726 B13R1.466 C#CCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000184674 [0,3,0,0,0,0|1,0,0]=4 20727 B13R1.466 C#CCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000184674 [0,3,0,0,0,0|1,0,0]=4 20728 B13R1.466 C#CCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000184674 [0,3,0,0,0,0|1,0,0]=4 20729 B13R1.466 C#CCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000184674 [0,3,0,0,0,0|1,0,0]=4 20730 B13R1.466 C#CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000184674 [0,3,0,0,0,0|1,0,0]=4 20731 B13R1.466 C#CCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000184674 [0,3,0,0,0,0|1,0,0]=4 20732 B13R1.466 C#CCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000184674 [0,3,0,0,0,0|1,0,0]=4 20733 B13R1.466 C#CCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000184674 [0,3,0,0,0,0|1,0,0]=4 20734 B13R1.466 C#CCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000184674 [0,3,0,0,0,0|1,0,0]=4 20735 B13R1.466 C#CCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000184674 [0,3,0,0,0,0|1,0,0]=4 20736 B13R1.466 C#CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000184674 [0,3,0,0,0,0|1,0,0]=4 20737 B13R1.466 C#CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000184674 [0,3,0,0,0,0|1,0,0]=4 20738 B13R1.466 C#CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000184674 [0,3,0,0,0,0|1,0,0]=4 20739 B13R1.466 C#CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000184674 [0,3,0,0,0,0|1,0,0]=4 20740 B13R1.466 C#CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000184674 [0,3,0,0,0,0|1,0,0]=4 20741 B13R1.466 C#CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000184674 [0,3,0,0,0,0|1,0,0]=4 20742 B13R1.466 C#CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000184674 [0,3,0,0,0,0|1,0,0]=4 20743 B13R1.466 C=CCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210623 [0,3,0,0,0,0|1,0,0]=4 20744 B13R1.466 C=CCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210623 [0,3,0,0,0,0|1,0,0]=4 20745 B13R1.466 C=CCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210623 [0,3,0,0,0,0|1,0,0]=4 20746 B13R1.466 C=CCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210623 [0,3,0,0,0,0|1,0,0]=4 20747 B13R1.466 C=CCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210623 [0,3,0,0,0,0|1,0,0]=4 20748 B13R1.466 C=CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210623 [0,3,0,0,0,0|1,0,0]=4 20749 B13R1.466 C=CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210623 [0,3,0,0,0,0|0,0,0]=3 20750 B13R1.466 C=CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210623 [0,3,0,0,0,0|0,0,0]=3 20751 B13R1.466 C=CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210623 [0,3,0,0,0,0|0,0,0]=3 20752 B13R1.466 C=CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210623 [0,3,0,0,0,0|0,0,0]=3 20753 B13R1.466 C=CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210623 [0,3,0,0,0,0|0,0,0]=3 20754 B13R1.466 C=CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210623 [0,3,0,0,0,0|0,0,0]=3 20755 B13R1.466 C=CCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210623 [0,3,0,0,0,0|1,0,0]=4 20756 B13R1.466 C=CCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210623 [0,3,0,0,0,0|1,0,0]=4 20757 B13R1.466 C=CCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210623 [0,3,0,0,0,0|1,0,0]=4 20758 B13R1.466 C=CCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210623 [0,3,0,0,0,0|1,0,0]=4 20759 B13R1.466 C=CCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210623 [0,3,0,0,0,0|1,0,0]=4 20760 B13R1.466 C=CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210623 [0,3,0,0,0,0|1,0,0]=4 20761 B13R1.466 C=CCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210623 [0,3,0,0,0,0|1,0,0]=4 20762 B13R1.466 C=CCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210623 [0,3,0,0,0,0|1,0,0]=4 20763 B13R1.466 C=CCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210623 [0,3,0,0,0,0|1,0,0]=4 20764 B13R1.466 C=CCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210623 [0,3,0,0,0,0|1,0,0]=4 20765 B13R1.466 C=CCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210623 [0,3,0,0,0,0|1,0,0]=4 20766 B13R1.466 C=CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210623 [0,3,0,0,0,0|1,0,0]=4 20767 B13R1.466 C=CCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210623 [0,3,0,0,0,0|1,0,0]=4 20768 B13R1.466 C=CCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210623 [0,3,0,0,0,0|1,0,0]=4 20769 B13R1.466 C=CCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210623 [0,3,0,0,0,0|1,0,0]=4 20770 B13R1.466 C=CCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210623 [0,3,0,0,0,0|1,0,0]=4 20771 B13R1.466 C=CCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210623 [0,3,0,0,0,0|1,0,0]=4 20772 B13R1.466 C=CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210623 [0,3,0,0,0,0|1,0,0]=4 20773 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210623 [0,3,0,0,0,0|1,0,0]=4 20774 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210623 [0,3,0,0,0,0|1,0,0]=4 20775 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210623 [0,3,0,0,0,0|1,0,0]=4 20776 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210623 [0,3,0,0,0,0|1,0,0]=4 20777 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210623 [0,3,0,0,0,0|1,0,0]=4 20778 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210623 [0,3,0,0,0,0|1,0,0]=4 20779 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210303 [0,3,0,0,0,0|1,0,0]=4 20780 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210303 [0,3,0,0,0,0|1,0,0]=4 20781 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210303 [0,3,0,0,0,0|1,0,0]=4 20782 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210303 [0,3,0,0,0,0|1,0,0]=4 20783 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210303 [0,3,0,0,0,0|1,0,0]=4 20784 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210303 [0,3,0,0,0,0|1,0,0]=4 20785 B13R1.466 CCCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210303 [0,3,0,0,0,0|0,0,0]=3 20786 B13R1.466 CCCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210303 [0,3,0,0,0,0|0,0,0]=3 20787 B13R1.466 CCCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210303 [0,3,0,0,0,0|0,0,0]=3 20788 B13R1.466 CCCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210303 [0,3,0,0,0,0|0,0,0]=3 20789 B13R1.466 CCCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210303 [0,3,0,0,0,0|0,0,0]=3 20790 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210303 [0,3,0,0,0,0|0,0,0]=3 20791 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012345043 [0,3,0,0,0,0|0,0,0]=3 20792 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210303 [0,3,0,0,0,0|1,0,0]=4 20793 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210303 [0,3,0,0,0,0|1,0,0]=4 20794 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210303 [0,3,0,0,0,0|1,0,0]=4 20795 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210303 [0,3,0,0,0,0|1,0,0]=4 20796 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210303 [0,3,0,0,0,0|1,0,0]=4 20797 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210303 [0,3,0,0,0,0|1,0,0]=4 20798 B13R1.466 CCCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210303 [0,3,0,0,0,0|1,0,0]=4 20799 B13R1.466 CCCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210303 [0,3,0,0,0,0|1,0,0]=4 20800 B13R1.466 CCCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210303 [0,3,0,0,0,0|1,0,0]=4 20801 B13R1.466 CCCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210303 [0,3,0,0,0,0|1,0,0]=4 20802 B13R1.466 CCCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210303 [0,3,0,0,0,0|1,0,0]=4 20803 B13R1.466 CCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210303 [0,3,0,0,0,0|1,0,0]=4 20804 B13R1.466 CCCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210303 [0,3,0,0,0,0|1,0,0]=4 20805 B13R1.466 CCCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210303 [0,3,0,0,0,0|1,0,0]=4 20806 B13R1.466 CCCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210303 [0,3,0,0,0,0|1,0,0]=4 20807 B13R1.466 CCCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210303 [0,3,0,0,0,0|1,0,0]=4 20808 B13R1.466 CCCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210303 [0,3,0,0,0,0|1,0,0]=4 20809 B13R1.466 CCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210303 [0,3,0,0,0,0|1,0,0]=4 20810 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210303 [0,3,0,0,0,0|1,0,0]=4 20811 B13R1.466 CCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210303 [0,3,0,0,0,0|1,0,0]=4 20812 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210303 [0,3,0,0,0,0|1,0,0]=4 20813 B13R1.466 CCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210303 [0,3,0,0,0,0|1,0,0]=4 20814 B13R1.466 CCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210303 [0,3,0,0,0,0|1,0,0]=4 20815 B13R1.466 CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210303 [0,3,0,0,0,0|1,0,0]=4 20816 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Br 11a_100015525214_100012339404 [0,3,0,0,0,0|1,0,0]=4 20817 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Br 240690a_100015525214_100012339404 [0,3,0,0,0,0|1,0,0]=4 20818 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Br 527a_100015525214_100012339404 [0,3,0,0,0,0|1,0,0]=4 20819 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)C 11a_100015525214_100000186397 [0,3,0,0,0,0|1,0,0]=4 20820 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)C 240690a_100015525214_100000186397 [0,3,0,0,0,0|1,0,0]=4 20821 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)C 527a_100015525214_100000186397 [0,3,0,0,0,0|1,0,0]=4 20822 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Cl 11a_100015525214_100000691181 [0,3,0,0,0,0|1,0,0]=4 20823 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Cl 240690a_100015525214_100000691181 [0,3,0,0,0,0|1,0,0]=4 20824 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Cl 527a_100015525214_100000691181 [0,3,0,0,0,0|1,0,0]=4 20825 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)F 11a_100015525214_100000760357 [0,3,0,0,0,0|1,0,0]=4 20826 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)F 240690a_100015525214_100000760357 [0,3,0,0,0,0|1,0,0]=4 20827 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)F 527a_100015525214_100000760357 [0,3,0,0,0,0|1,0,0]=4 20828 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)I 11a_100015525214_100000739115 [0,3,0,0,0,0|1,0,0]=4 20829 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)I 240690a_100015525214_100000739115 [0,3,0,0,0,0|1,0,0]=4 20830 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)I 527a_100015525214_100000739115 [0,3,0,0,0,0|1,0,0]=4 20831 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)O 240690a_100015525214_100000189672 [0,3,0,0,0,0|1,0,0]=4 20832 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br 11a_100015525214_100000692631 [0,3,0,0,0,0|0,0,0]=3 20833 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br 240690a_100015525214_100000692631 [0,3,0,0,0,0|0,0,0]=3 20834 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br 527a_100015525214_100000692631 [0,3,0,0,0,0|0,0,0]=3 20835 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C 11a_100015525214_100000210898 [0,3,0,0,0,0|0,0,0]=3 20836 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C 240690a_100015525214_100000210898 [0,3,0,0,0,0|0,0,0]=3 20837 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C 527a_100015525214_100000210898 [0,3,0,0,0,0|0,0,0]=3 20838 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl 11a_100015525214_100000686306 [0,3,0,0,0,0|0,0,0]=3 20839 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl 240690a_100015525214_100000686306 [0,3,0,0,0,0|0,0,0]=3 20840 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl 527a_100015525214_100000686306 [0,3,0,0,0,0|0,0,0]=3 20841 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F 11a_100015525214_100000751819 [0,3,0,0,0,0|0,0,0]=3 20842 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F 240690a_100015525214_100000751819 [0,3,0,0,0,0|0,0,0]=3 20843 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F 527a_100015525214_100000751819 [0,3,0,0,0,0|0,0,0]=3 20844 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I 11a_100015525214_100000751300 [0,3,0,0,0,0|0,0,0]=3 20845 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I 240690a_100015525214_100000751300 [0,3,0,0,0,0|0,0,0]=3 20846 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I 527a_100015525214_100000751300 [0,3,0,0,0,0|0,0,0]=3 20847 B13R1.466 CCNC(=O)c1ccc(c(c1)C)O 240690a_100015525214_100000685612 [0,3,0,0,0,0|0,0,0]=3 20848 B13R1.466 CCNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012357431 [0,3,0,0,0,0|0,0,0]=3 20849 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Br 11a_100015525214_100000687082 [0,3,0,0,0,0|1,0,0]=4 20850 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Br 240690a_100015525214_100000687082 [0,3,0,0,0,0|1,0,0]=4 20851 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Br 527a_100015525214_100000687082 [0,3,0,0,0,0|1,0,0]=4 20852 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)C 11a_100015525214_100000751740 [0,3,0,0,0,0|1,0,0]=4 20853 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)C 240690a_100015525214_100000751740 [0,3,0,0,0,0|1,0,0]=4 20854 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)C 527a_100015525214_100000751740 [0,3,0,0,0,0|1,0,0]=4 20855 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Cl 11a_100015525214_100000210401 [0,3,0,0,0,0|1,0,0]=4 20856 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100015525214_100000210401 [0,3,0,0,0,0|1,0,0]=4 20857 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Cl 527a_100015525214_100000210401 [0,3,0,0,0,0|1,0,0]=4 20858 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)F 11a_100015525214_100000686462 [0,3,0,0,0,0|1,0,0]=4 20859 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)F 240690a_100015525214_100000686462 [0,3,0,0,0,0|1,0,0]=4 20860 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)F 527a_100015525214_100000686462 [0,3,0,0,0,0|1,0,0]=4 20861 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)I 11a_100015525214_100000684831 [0,3,0,0,0,0|1,0,0]=4 20862 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)I 240690a_100015525214_100000684831 [0,3,0,0,0,0|1,0,0]=4 20863 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)I 527a_100015525214_100000684831 [0,3,0,0,0,0|1,0,0]=4 20864 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)O 240690a_100015525214_100000212196 [0,3,0,0,0,0|1,0,0]=4 20865 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)O 527a_100015525214_100000212196 [0,3,0,0,0,0|1,0,0]=4 20866 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Br 11a_100015525214_100000743946 [0,3,0,0,0,0|1,0,0]=4 20867 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Br 240690a_100015525214_100000743946 [0,3,0,0,0,0|1,0,0]=4 20868 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Br 527a_100015525214_100000743946 [0,3,0,0,0,0|1,0,0]=4 20869 B13R1.466 CCNC(=O)c1ccc(c(c1)F)C 11a_100015525214_100000212313 [0,3,0,0,0,0|1,0,0]=4 20870 B13R1.466 CCNC(=O)c1ccc(c(c1)F)C 240690a_100015525214_100000212313 [0,3,0,0,0,0|1,0,0]=4 20871 B13R1.466 CCNC(=O)c1ccc(c(c1)F)C 527a_100015525214_100000212313 [0,3,0,0,0,0|1,0,0]=4 20872 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Cl 11a_100015525214_100000743183 [0,3,0,0,0,0|1,0,0]=4 20873 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Cl 240690a_100015525214_100000743183 [0,3,0,0,0,0|1,0,0]=4 20874 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Cl 527a_100015525214_100000743183 [0,3,0,0,0,0|1,0,0]=4 20875 B13R1.466 CCNC(=O)c1ccc(c(c1)F)F 11a_100015525214_100000209822 [0,3,0,0,0,0|1,0,0]=4 20876 B13R1.466 CCNC(=O)c1ccc(c(c1)F)F 240690a_100015525214_100000209822 [0,3,0,0,0,0|1,0,0]=4 20877 B13R1.466 CCNC(=O)c1ccc(c(c1)F)F 527a_100015525214_100000209822 [0,3,0,0,0,0|1,0,0]=4 20878 B13R1.466 CCNC(=O)c1ccc(c(c1)F)I 11a_100015525214_100000062624 [0,3,0,0,0,0|1,0,0]=4 20879 B13R1.466 CCNC(=O)c1ccc(c(c1)F)I 240690a_100015525214_100000062624 [0,3,0,0,0,0|1,0,0]=4 20880 B13R1.466 CCNC(=O)c1ccc(c(c1)F)I 527a_100015525214_100000062624 [0,3,0,0,0,0|1,0,0]=4 20881 B13R1.466 CCNC(=O)c1ccc(c(c1)F)O 240690a_100015525214_100000185466 [0,3,0,0,0,0|1,0,0]=4 20882 B13R1.466 CCNC(=O)c1ccc(c(c1)F)O 527a_100015525214_100000185466 [0,3,0,0,0,0|1,0,0]=4 20883 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Br 11a_100015525214_100012343876 [0,3,0,0,0,0|1,0,0]=4 20884 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Br 240690a_100015525214_100012343876 [0,3,0,0,0,0|1,0,0]=4 20885 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Br 527a_100015525214_100012343876 [0,3,0,0,0,0|1,0,0]=4 20886 B13R1.466 CCNC(=O)c1ccc(c(c1)I)C 11a_100015525214_100000751299 [0,3,0,0,0,0|1,0,0]=4 20887 B13R1.466 CCNC(=O)c1ccc(c(c1)I)C 240690a_100015525214_100000751299 [0,3,0,0,0,0|1,0,0]=4 20888 B13R1.466 CCNC(=O)c1ccc(c(c1)I)C 527a_100015525214_100000751299 [0,3,0,0,0,0|1,0,0]=4 20889 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Cl 11a_100015525214_100000739381 [0,3,0,0,0,0|1,0,0]=4 20890 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Cl 240690a_100015525214_100000739381 [0,3,0,0,0,0|1,0,0]=4 20891 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Cl 527a_100015525214_100000739381 [0,3,0,0,0,0|1,0,0]=4 20892 B13R1.466 CCNC(=O)c1ccc(c(c1)I)F 11a_100015525214_100000688015 [0,3,0,0,0,0|1,0,0]=4 20893 B13R1.466 CCNC(=O)c1ccc(c(c1)I)F 240690a_100015525214_100000688015 [0,3,0,0,0,0|1,0,0]=4 20894 B13R1.466 CCNC(=O)c1ccc(c(c1)I)F 527a_100015525214_100000688015 [0,3,0,0,0,0|1,0,0]=4 20895 B13R1.466 CCNC(=O)c1ccc(c(c1)I)I 11a_100015525214_100000725830 [0,3,0,0,0,0|1,0,0]=4 20896 B13R1.466 CCNC(=O)c1ccc(c(c1)I)I 240690a_100015525214_100000725830 [0,3,0,0,0,0|1,0,0]=4 20897 B13R1.466 CCNC(=O)c1ccc(c(c1)I)I 527a_100015525214_100000725830 [0,3,0,0,0,0|1,0,0]=4 20898 B13R1.466 CCNC(=O)c1ccc(c(c1)I)O 240690a_100015525214_100000037485 [0,3,0,0,0,0|1,0,0]=4 20899 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Br 240690a_100015525214_100000689001 [0,3,0,0,0,0|1,0,0]=4 20900 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Br 527a_100015525214_100000689001 [0,3,0,0,0,0|1,0,0]=4 20901 B13R1.466 CCNC(=O)c1ccc(c(c1)O)C 240690a_100015525214_100000233767 [0,3,0,0,0,0|1,0,0]=4 20902 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Cl 240690a_100015525214_100011933997 [0,3,0,0,0,0|1,0,0]=4 20903 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Cl 527a_100015525214_100011933997 [0,3,0,0,0,0|1,0,0]=4 20904 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 240690a_100015525214_100000035894 [0,3,0,0,0,0|1,0,0]=4 20905 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359900 [0,3,0,0,0,0|1,0,0]=4 20906 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 527a_100015525214_100000035894 [0,3,0,0,0,0|1,0,0]=4 20907 B13R1.466 CCNC(=O)c1ccc(c(c1)O)I 240690a_100015525214_100000239334 [0,3,0,0,0,0|1,0,0]=4 20908 B13R1.466 CCNC(=O)c1ccc(c(c1)O)I 527a_100015525214_100000239334 [0,3,0,0,0,0|1,0,0]=4 20909 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294787 [0,3,0,0,0,0|1,0,0]=4 20910 B13R1.466 CCOC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100012229600 [0,3,0,0,0,0|0,0,0]=3 20911 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_200012351148 [0,3,0,0,0,0|1,0,0]=4 20912 B13R1.466 CCOC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100011533738 [0,3,0,0,0,0|1,0,0]=4 20913 B13R1.466 CCOC(=O)c1ccc(c(c1)N)O 271570a_203496583355_200011450955 [0,3,0,0,0,0|1,0,0]=4 20914 B13R1.466 CCOC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100012359631 [0,3,0,0,0,0|1,0,0]=4 20915 B13R1.466 CCOC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011934563 [0,3,0,0,0,0|1,0,0]=4 20916 B13R1.466 CCOC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100161115259 [0,3,0,0,0,0|1,0,0]=4 20917 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100009812659 [0,3,0,0,0,0|1,0,0]=4 20918 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012355281 [0,3,0,0,0,0|1,0,0]=4 20919 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 2230a_106832991635_100012346676 [0,3,0,0,0,0|1,0,0]=4 20920 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 34a_100102657272_100012346676 [0,3,0,0,0,0|1,0,0]=4 20921 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 7a_106832991635_100012346676 [0,3,0,0,0,0|1,0,0]=4 20922 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 2230a_106832991635_100011217175 [0,3,0,0,0,0|1,0,0]=4 20923 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 34a_100102657272_100011217175 [0,3,0,0,0,0|1,0,0]=4 20924 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 7a_106832991635_100011217175 [0,3,0,0,0,0|1,0,0]=4 20925 B13R1.466 CNCC(=O)c1ccc(c(c1)C)C 2230a_106832991635_100000183365 [0,3,0,0,0,0|0,0,0]=3 20926 B13R1.466 CNCC(=O)c1ccc(c(c1)C)C 7a_106832991635_100000183365 [0,3,0,0,0,0|0,0,0]=3 20927 B13R1.466 CNCC(=O)c1ccc(c(c1)C)Cl 7a_106832991635_200011216723 [0,3,0,0,0,0|0,0,0]=3 20928 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Br 2230a_106832991635_200012349649 [0,3,0,0,0,0|1,0,0]=4 20929 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Br 34a_100102657272_200012349649 [0,3,0,0,0,0|1,0,0]=4 20930 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Cl 2230a_106832991635_100000211430 [0,3,0,0,0,0|1,0,0]=4 20931 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Cl 7a_106832991635_100000211430 [0,3,0,0,0,0|1,0,0]=4 20932 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 2230a_106832991635_100000757878 [0,3,0,0,0,0|1,0,0]=4 20933 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 34a_100102657272_100000757878 [0,3,0,0,0,0|1,0,0]=4 20934 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 7a_106832991635_100000757878 [0,3,0,0,0,0|1,0,0]=4 20935 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)O 7a_106832991635_200010170092 [0,3,0,0,0,0|1,0,0]=4 20936 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 2230a_106832991635_100012361357 [0,3,0,0,0,0|1,0,0]=4 20937 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 34a_100102657272_100012361357 [0,3,0,0,0,0|1,0,0]=4 20938 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 7a_106832991635_100012361357 [0,3,0,0,0,0|1,0,0]=4 20939 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 2230a_106832991635_100011219196 [0,3,0,0,0,0|1,0,0]=4 20940 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 34a_100102657272_100011219196 [0,3,0,0,0,0|1,0,0]=4 20941 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 7a_106832991635_100011219196 [0,3,0,0,0,0|1,0,0]=4 20942 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 2230a_106832991635_100012351892 [0,3,0,0,0,0|1,0,0]=4 20943 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 34a_100102657272_100012351892 [0,3,0,0,0,0|1,0,0]=4 20944 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 7a_106832991635_100012351892 [0,3,0,0,0,0|1,0,0]=4 20945 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 2230a_106832991635_100000183380 [0,3,0,0,0,0|1,0,0]=4 20946 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 34a_100102657272_100000183380 [0,3,0,0,0,0|1,0,0]=4 20947 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 7a_106832991635_100000183380 [0,3,0,0,0,0|1,0,0]=4 20948 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O 7a_106832991635_100000183813 [0,3,0,0,0,0|1,0,0]=4 20949 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)Br 22a_100016993582_100012339404 [0,3,0,0,0,0|1,0,0]=4 20950 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)C 22a_100016993582_100000186397 [0,3,0,0,0,0|1,0,0]=4 20951 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)Cl 22a_100016993582_100000691181 [0,3,0,0,0,0|1,0,0]=4 20952 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)F 22a_100016993582_100000760357 [0,3,0,0,0,0|1,0,0]=4 20953 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)I 22a_100016993582_100000739115 [0,3,0,0,0,0|1,0,0]=4 20954 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)O 22a_100016993582_100000189672 [0,3,0,0,0,0|1,0,0]=4 20955 B13R1.466 CNNC(=O)c1ccc(c(c1)C)Br 22a_100016993582_100000692631 [0,3,0,0,0,0|0,0,0]=3 20956 B13R1.466 CNNC(=O)c1ccc(c(c1)C)C 22a_100016993582_100000210898 [0,3,0,0,0,0|0,0,0]=3 20957 B13R1.466 CNNC(=O)c1ccc(c(c1)C)Cl 22a_100016993582_100000686306 [0,3,0,0,0,0|0,0,0]=3 20958 B13R1.466 CNNC(=O)c1ccc(c(c1)C)F 22a_100016993582_100000751819 [0,3,0,0,0,0|0,0,0]=3 20959 B13R1.466 CNNC(=O)c1ccc(c(c1)C)I 22a_100016993582_100000751300 [0,3,0,0,0,0|0,0,0]=3 20960 B13R1.466 CNNC(=O)c1ccc(c(c1)C)O 22a_100016993582_100000685612 [0,3,0,0,0,0|0,0,0]=3 20961 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)Br 22a_100016993582_100000687082 [0,3,0,0,0,0|1,0,0]=4 20962 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)C 22a_100016993582_100000751740 [0,3,0,0,0,0|1,0,0]=4 20963 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)Cl 22a_100016993582_100000210401 [0,3,0,0,0,0|1,0,0]=4 20964 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)F 22a_100016993582_100000686462 [0,3,0,0,0,0|1,0,0]=4 20965 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)I 22a_100016993582_100000684831 [0,3,0,0,0,0|1,0,0]=4 20966 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)O 22a_100016993582_100000212196 [0,3,0,0,0,0|1,0,0]=4 20967 B13R1.466 CNNC(=O)c1ccc(c(c1)F)Br 22a_100016993582_100000743946 [0,3,0,0,0,0|1,0,0]=4 20968 B13R1.466 CNNC(=O)c1ccc(c(c1)F)C 22a_100016993582_100000212313 [0,3,0,0,0,0|1,0,0]=4 20969 B13R1.466 CNNC(=O)c1ccc(c(c1)F)Cl 22a_100016993582_100000743183 [0,3,0,0,0,0|1,0,0]=4 20970 B13R1.466 CNNC(=O)c1ccc(c(c1)F)F 22a_100016993582_100000209822 [0,3,0,0,0,0|1,0,0]=4 20971 B13R1.466 CNNC(=O)c1ccc(c(c1)F)I 22a_100016993582_100000062624 [0,3,0,0,0,0|1,0,0]=4 20972 B13R1.466 CNNC(=O)c1ccc(c(c1)F)O 22a_100016993582_100000185466 [0,3,0,0,0,0|1,0,0]=4 20973 B13R1.466 CNNC(=O)c1ccc(c(c1)I)Br 22a_100016993582_100012343876 [0,3,0,0,0,0|1,0,0]=4 20974 B13R1.466 CNNC(=O)c1ccc(c(c1)I)C 22a_100016993582_100000751299 [0,3,0,0,0,0|1,0,0]=4 20975 B13R1.466 CNNC(=O)c1ccc(c(c1)I)Cl 22a_100016993582_100000739381 [0,3,0,0,0,0|1,0,0]=4 20976 B13R1.466 CNNC(=O)c1ccc(c(c1)I)F 22a_100016993582_100000688015 [0,3,0,0,0,0|1,0,0]=4 20977 B13R1.466 CNNC(=O)c1ccc(c(c1)I)I 22a_100016993582_100000725830 [0,3,0,0,0,0|1,0,0]=4 20978 B13R1.466 CNNC(=O)c1ccc(c(c1)I)O 22a_100016993582_100000037485 [0,3,0,0,0,0|1,0,0]=4 20979 B13R1.466 CNNC(=O)c1ccc(c(c1)O)Br 22a_100016993582_100000689001 [0,3,0,0,0,0|1,0,0]=4 20980 B13R1.466 CNNC(=O)c1ccc(c(c1)O)C 22a_100016993582_100000233767 [0,3,0,0,0,0|1,0,0]=4 20981 B13R1.466 CNNC(=O)c1ccc(c(c1)O)Cl 22a_100016993582_100011933997 [0,3,0,0,0,0|1,0,0]=4 20982 B13R1.466 CNNC(=O)c1ccc(c(c1)O)F 22a_100016993582_100000035894 [0,3,0,0,0,0|1,0,0]=4 20983 B13R1.466 CNNC(=O)c1ccc(c(c1)O)I 22a_100016993582_100000239334 [0,3,0,0,0,0|1,0,0]=4 20984 B13R1.466 COCC(=O)c1ccc(c(c1)Br)C 34a_100138415774_100012346676 [0,3,0,0,0,0|1,0,0]=4 20985 B13R1.466 COCC(=O)c1ccc(c(c1)Br)F 34a_100138415774_100011217175 [0,3,0,0,0,0|1,0,0]=4 20986 B13R1.466 COCC(=O)c1ccc(c(c1)Cl)Br 34a_100138415774_200012349649 [0,3,0,0,0,0|1,0,0]=4 20987 B13R1.466 COCC(=O)c1ccc(c(c1)Cl)Cl 7a_100000246375_200000210301 [0,3,0,0,0,0|1,0,0]=4 20988 B13R1.466 COCC(=O)c1ccc(c(c1)Cl)F 34a_100138415774_100000757878 [0,3,0,0,0,0|1,0,0]=4 20989 B13R1.466 COCC(=O)c1ccc(c(c1)F)Br 34a_100138415774_100012361357 [0,3,0,0,0,0|1,0,0]=4 20990 B13R1.466 COCC(=O)c1ccc(c(c1)F)C 34a_100138415774_100011219196 [0,3,0,0,0,0|1,0,0]=4 20991 B13R1.466 COCC(=O)c1ccc(c(c1)F)Cl 34a_100138415774_100012351892 [0,3,0,0,0,0|1,0,0]=4 20992 B13R1.466 COCC(=O)c1ccc(c(c1)F)F 34a_100138415774_100000183380 [0,3,0,0,0,0|1,0,0]=4 20993 B13R1.466 CSCC(=O)c1ccc(c(c1)Br)C 62a_100012346676_200000210301 [0,3,0,0,0,0|1,0,0]=4 20994 B13R1.466 CSCC(=O)c1ccc(c(c1)Br)C 62a_200000210301_100012346676 [0,3,0,0,0,0|1,0,0]=4 20995 B13R1.466 CSCC(=O)c1ccc(c(c1)Br)F 62a_100011217175_200000210301 [0,3,0,0,0,0|1,0,0]=4 20996 B13R1.466 CSCC(=O)c1ccc(c(c1)Br)F 62a_200000210301_100011217175 [0,3,0,0,0,0|1,0,0]=4 20997 B13R1.466 CSCC(=O)c1ccc(c(c1)C)C 62a_100000183365_200000210301 [0,3,0,0,0,0|0,0,0]=3 20998 B13R1.466 CSCC(=O)c1ccc(c(c1)C)C 62a_200000210301_100000183365 [0,3,0,0,0,0|0,0,0]=3 20999 B13R1.466 CSCC(=O)c1ccc(c(c1)C)Cl 62a_200000210301_200011216723 [0,3,0,0,0,0|0,0,0]=3 21000 B13R1.466 CSCC(=O)c1ccc(c(c1)C)Cl 62a_200011216723_200000210301 [0,3,0,0,0,0|0,0,0]=3 21001 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)Br 62a_200000210301_200012349649 [0,3,0,0,0,0|1,0,0]=4 21002 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)Br 62a_200012349649_200000210301 [0,3,0,0,0,0|1,0,0]=4 21003 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)Cl 62a_100000211430_200000210301 [0,3,0,0,0,0|1,0,0]=4 21004 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)Cl 62a_200000210301_100000211430 [0,3,0,0,0,0|1,0,0]=4 21005 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)F 62a_100000757878_200000210301 [0,3,0,0,0,0|1,0,0]=4 21006 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)F 62a_200000210301_100000757878 [0,3,0,0,0,0|1,0,0]=4 21007 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)O 62a_200000210301_200010170092 [0,3,0,0,0,0|1,0,0]=4 21008 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_200000210301 [0,3,0,0,0,0|1,0,0]=4 21009 B13R1.466 CSCC(=O)c1ccc(c(c1)F)Br 62a_100012361357_200000210301 [0,3,0,0,0,0|1,0,0]=4 21010 B13R1.466 CSCC(=O)c1ccc(c(c1)F)Br 62a_200000210301_100012361357 [0,3,0,0,0,0|1,0,0]=4 21011 B13R1.466 CSCC(=O)c1ccc(c(c1)F)C 62a_100011219196_200000210301 [0,3,0,0,0,0|1,0,0]=4 21012 B13R1.466 CSCC(=O)c1ccc(c(c1)F)C 62a_200000210301_100011219196 [0,3,0,0,0,0|1,0,0]=4 21013 B13R1.466 CSCC(=O)c1ccc(c(c1)F)Cl 62a_100012351892_200000210301 [0,3,0,0,0,0|1,0,0]=4 21014 B13R1.466 CSCC(=O)c1ccc(c(c1)F)Cl 62a_200000210301_100012351892 [0,3,0,0,0,0|1,0,0]=4 21015 B13R1.466 CSCC(=O)c1ccc(c(c1)F)F 62a_100000183380_200000210301 [0,3,0,0,0,0|1,0,0]=4 21016 B13R1.466 CSCC(=O)c1ccc(c(c1)F)F 62a_200000210301_100000183380 [0,3,0,0,0,0|1,0,0]=4 21017 B13R1.466 CSCC(=O)c1ccc(c(c1)O)O 62a_200000210301_100000183813 [0,3,0,0,0,0|1,0,0]=4 21018 B13R1.466 Cc1cc(ccc1Br)C(=O)CC#N 1458a_100000692631_100011214920 [0,3,0,0,0,0|0,0,0]=3 21019 B13R1.466 Cc1cc(ccc1Br)C(=O)CCF 1458a_100000692631_100011217306 [0,3,0,0,0,0|0,0,0]=3 21020 B13R1.466 Cc1cc(ccc1Br)C(=O)CCO 1458a_100000692631_100000211926 [0,3,0,0,0,0|0,0,0]=3 21021 B13R1.466 Cc1cc(ccc1Br)N(C)CC=O 2230a_100102888905_200015260668 [0,3,0,0,0,0|1,0,0]=4 21022 B13R1.466 Cc1cc(ccc1Br)N(C)CC=O 269982a_100102888905_200015260668 [0,3,0,0,0,0|1,0,0]=4 21023 B13R1.466 Cc1cc(ccc1Br)N(C)CC=O 34a_100102888905_200009817547 [0,3,0,0,0,0|1,0,0]=4 21024 B13R1.466 Cc1cc(ccc1Cl)C(=O)CC#N 1458a_100000686306_100011214920 [0,3,0,0,0,0|0,0,0]=3 21025 B13R1.466 Cc1cc(ccc1Cl)C(=O)CCF 1458a_100000686306_100011217306 [0,3,0,0,0,0|0,0,0]=3 21026 B13R1.466 Cc1cc(ccc1Cl)C(=O)CCO 1458a_100000686306_100000211926 [0,3,0,0,0,0|0,0,0]=3 21027 B13R1.466 Cc1cc(ccc1Cl)C(=O)CS[13CH3] 62a_200011216723_200025704644 [0,3,0,0,0,0|0,0,0]=3 21028 B13R1.466 Cc1cc(ccc1Cl)C(=O)CS[13CH3] 62a_200025704644_200011216723 [0,3,0,0,0,0|0,0,0]=3 21029 B13R1.466 Cc1cc(ccc1Cl)N(C)CC=O 2230a_114849113799_200015260668 [0,3,0,0,0,0|1,0,0]=4 21030 B13R1.466 Cc1cc(ccc1Cl)N(C)CC=O 269982a_114849113799_200015260668 [0,3,0,0,0,0|1,0,0]=4 21031 B13R1.466 Cc1cc(ccc1Cl)N(C)CC=O 34a_114849113799_200009817547 [0,3,0,0,0,0|1,0,0]=4 21032 B13R1.466 Cc1cc(ccc1F)C(=O)CC#N 1458a_100000751819_100011214920 [0,3,0,0,0,0|0,0,0]=3 21033 B13R1.466 Cc1cc(ccc1F)C(=O)CCF 1458a_100000751819_100011217306 [0,3,0,0,0,0|0,0,0]=3 21034 B13R1.466 Cc1cc(ccc1F)C(=O)CCO 1458a_100000751819_100000211926 [0,3,0,0,0,0|0,0,0]=3 21035 B13R1.466 Cc1cc(ccc1F)N(C)CC=O 2230a_100011756966_200015260668 [0,3,0,0,0,0|1,0,0]=4 21036 B13R1.466 Cc1cc(ccc1F)N(C)CC=O 269982a_100011756966_200015260668 [0,3,0,0,0,0|1,0,0]=4 21037 B13R1.466 Cc1cc(ccc1F)N(C)CC=O 34a_100011756966_200009817547 [0,3,0,0,0,0|1,0,0]=4 21038 B13R1.466 Cc1cc(ccc1F)N(C)CC=O 7a_100011756966_200015260668 [0,3,0,0,0,0|1,0,0]=4 21039 B13R1.466 Cc1cc(ccc1I)C(=O)CC#N 1458a_100000751300_100011214920 [0,3,0,0,0,0|0,0,0]=3 21040 B13R1.466 Cc1cc(ccc1I)C(=O)CCF 1458a_100000751300_100011217306 [0,3,0,0,0,0|0,0,0]=3 21041 B13R1.466 Cc1cc(ccc1I)C(=O)CCO 1458a_100000751300_100000211926 [0,3,0,0,0,0|0,0,0]=3 21042 B13R1.466 Cc1cc(ccc1O)C(=O)CC#N 1458a_100000685612_100011214920 [0,3,0,0,0,0|0,0,0]=3 21043 B13R1.466 Cc1cc(ccc1O)C(=O)CCF 1458a_100000685612_100011217306 [0,3,0,0,0,0|0,0,0]=3 21044 B13R1.466 Cc1cc(ccc1O)C(=O)CCO 1458a_100000685612_100000211926 [0,3,0,0,0,0|0,0,0]=3 21045 B13R1.466 Cc1ccc(cc1Br)C(=O)CC#N 1458a_100000186397_100011214920 [0,3,0,0,0,0|1,0,0]=4 21046 B13R1.466 Cc1ccc(cc1Br)C(=O)CCF 1458a_100000186397_100011217306 [0,3,0,0,0,0|1,0,0]=4 21047 B13R1.466 Cc1ccc(cc1Br)C(=O)CCO 1458a_100000186397_100000211926 [0,3,0,0,0,0|1,0,0]=4 21048 B13R1.466 Cc1ccc(cc1Br)C(=O)CS[13CH3] 62a_100012346676_200025704644 [0,3,0,0,0,0|1,0,0]=4 21049 B13R1.466 Cc1ccc(cc1Br)C(=O)CS[13CH3] 62a_200025704644_100012346676 [0,3,0,0,0,0|1,0,0]=4 21050 B13R1.466 Cc1ccc(cc1C)C(=O)CC#N 1458a_100000210898_100011214920 [0,3,0,0,0,0|0,0,0]=3 21051 B13R1.466 Cc1ccc(cc1C)C(=O)CCF 1458a_100000210898_100011217306 [0,3,0,0,0,0|0,0,0]=3 21052 B13R1.466 Cc1ccc(cc1C)C(=O)CCO 1458a_100000210898_100000211926 [0,3,0,0,0,0|0,0,0]=3 21053 B13R1.466 Cc1ccc(cc1C)C(=O)CS[13CH3] 62a_100000183365_200025704644 [0,3,0,0,0,0|0,0,0]=3 21054 B13R1.466 Cc1ccc(cc1C)C(=O)CS[13CH3] 62a_200025704644_100000183365 [0,3,0,0,0,0|0,0,0]=3 21055 B13R1.466 Cc1ccc(cc1Cl)C(=O)CC#N 1458a_100000751740_100011214920 [0,3,0,0,0,0|1,0,0]=4 21056 B13R1.466 Cc1ccc(cc1Cl)C(=O)CCF 1458a_100000751740_100011217306 [0,3,0,0,0,0|1,0,0]=4 21057 B13R1.466 Cc1ccc(cc1Cl)C(=O)CCO 1458a_100000751740_100000211926 [0,3,0,0,0,0|1,0,0]=4 21058 B13R1.466 Cc1ccc(cc1F)C(=O)CC#N 1458a_100000212313_100011214920 [0,3,0,0,0,0|1,0,0]=4 21059 B13R1.466 Cc1ccc(cc1F)C(=O)CCF 1458a_100000212313_100011217306 [0,3,0,0,0,0|1,0,0]=4 21060 B13R1.466 Cc1ccc(cc1F)C(=O)CCO 1458a_100000212313_100000211926 [0,3,0,0,0,0|1,0,0]=4 21061 B13R1.466 Cc1ccc(cc1F)C(=O)CS[13CH3] 62a_100011219196_200025704644 [0,3,0,0,0,0|1,0,0]=4 21062 B13R1.466 Cc1ccc(cc1F)C(=O)CS[13CH3] 62a_200025704644_100011219196 [0,3,0,0,0,0|1,0,0]=4 21063 B13R1.466 Cc1ccc(cc1I)C(=O)CC#N 1458a_100000751299_100011214920 [0,3,0,0,0,0|1,0,0]=4 21064 B13R1.466 Cc1ccc(cc1I)C(=O)CCF 1458a_100000751299_100011217306 [0,3,0,0,0,0|1,0,0]=4 21065 B13R1.466 Cc1ccc(cc1I)C(=O)CCO 1458a_100000751299_100000211926 [0,3,0,0,0,0|1,0,0]=4 21066 B13R1.466 Cc1ccc(cc1O)C(=O)CC#N 1458a_100000233767_100011214920 [0,3,0,0,0,0|1,0,0]=4 21067 B13R1.466 Cc1ccc(cc1O)C(=O)CCF 1458a_100000233767_100011217306 [0,3,0,0,0,0|1,0,0]=4 21068 B13R1.466 Cc1ccc(cc1O)C(=O)CCO 1458a_100000233767_100000211926 [0,3,0,0,0,0|1,0,0]=4 21069 B13R1.466 N#CCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100011214920 [0,3,0,0,0,0|1,0,0]=4 21070 B13R1.466 N#CCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100011214920 [0,3,0,0,0,0|1,0,0]=4 21071 B13R1.466 N#CCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100011214920 [0,3,0,0,0,0|1,0,0]=4 21072 B13R1.466 N#CCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100011214920 [0,3,0,0,0,0|1,0,0]=4 21073 B13R1.466 N#CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100011214920 [0,3,0,0,0,0|1,0,0]=4 21074 B13R1.466 N#CCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100011214920 [0,3,0,0,0,0|1,0,0]=4 21075 B13R1.466 N#CCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100011214920 [0,3,0,0,0,0|1,0,0]=4 21076 B13R1.466 N#CCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100011214920 [0,3,0,0,0,0|1,0,0]=4 21077 B13R1.466 N#CCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100011214920 [0,3,0,0,0,0|1,0,0]=4 21078 B13R1.466 N#CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100011214920 [0,3,0,0,0,0|1,0,0]=4 21079 B13R1.466 N#CCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100011214920 [0,3,0,0,0,0|1,0,0]=4 21080 B13R1.466 N#CCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100011214920 [0,3,0,0,0,0|1,0,0]=4 21081 B13R1.466 N#CCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100011214920 [0,3,0,0,0,0|1,0,0]=4 21082 B13R1.466 N#CCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100011214920 [0,3,0,0,0,0|1,0,0]=4 21083 B13R1.466 N#CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100011214920 [0,3,0,0,0,0|1,0,0]=4 21084 B13R1.466 N#CCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100011214920 [0,3,0,0,0,0|1,0,0]=4 21085 B13R1.466 N#CCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100011214920 [0,3,0,0,0,0|1,0,0]=4 21086 B13R1.466 N#CCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100011214920 [0,3,0,0,0,0|1,0,0]=4 21087 B13R1.466 N#CCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100011214920 [0,3,0,0,0,0|1,0,0]=4 21088 B13R1.466 N#CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100011214920 [0,3,0,0,0,0|1,0,0]=4 21089 B13R1.466 N#CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100011214920 [0,3,0,0,0,0|1,0,0]=4 21090 B13R1.466 N#CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100011214920 [0,3,0,0,0,0|1,0,0]=4 21091 B13R1.466 N#CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100011214920 [0,3,0,0,0,0|1,0,0]=4 21092 B13R1.466 N#CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100011214920 [0,3,0,0,0,0|1,0,0]=4 21093 B13R1.466 N#CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011214920 [0,3,0,0,0,0|1,0,0]=4 21094 B13R1.466 O=C(CCF)c1ccc(c(c1)Br)Br 1458a_100012339404_100011217306 [0,3,0,0,0,0|1,0,0]=4 21095 B13R1.466 O=C(CCF)c1ccc(c(c1)Br)Cl 1458a_100000691181_100011217306 [0,3,0,0,0,0|1,0,0]=4 21096 B13R1.466 O=C(CCF)c1ccc(c(c1)Br)F 1458a_100000760357_100011217306 [0,3,0,0,0,0|1,0,0]=4 21097 B13R1.466 O=C(CCF)c1ccc(c(c1)Br)I 1458a_100000739115_100011217306 [0,3,0,0,0,0|1,0,0]=4 21098 B13R1.466 O=C(CCF)c1ccc(c(c1)Br)O 1458a_100000189672_100011217306 [0,3,0,0,0,0|1,0,0]=4 21099 B13R1.466 O=C(CCF)c1ccc(c(c1)Cl)Br 1458a_100000687082_100011217306 [0,3,0,0,0,0|1,0,0]=4 21100 B13R1.466 O=C(CCF)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100011217306 [0,3,0,0,0,0|1,0,0]=4 21101 B13R1.466 O=C(CCF)c1ccc(c(c1)Cl)F 1458a_100000686462_100011217306 [0,3,0,0,0,0|1,0,0]=4 21102 B13R1.466 O=C(CCF)c1ccc(c(c1)Cl)I 1458a_100000684831_100011217306 [0,3,0,0,0,0|1,0,0]=4 21103 B13R1.466 O=C(CCF)c1ccc(c(c1)Cl)O 1458a_100000212196_100011217306 [0,3,0,0,0,0|1,0,0]=4 21104 B13R1.466 O=C(CCF)c1ccc(c(c1)F)Br 1458a_100000743946_100011217306 [0,3,0,0,0,0|1,0,0]=4 21105 B13R1.466 O=C(CCF)c1ccc(c(c1)F)Cl 1458a_100000743183_100011217306 [0,3,0,0,0,0|1,0,0]=4 21106 B13R1.466 O=C(CCF)c1ccc(c(c1)F)F 1458a_100000209822_100011217306 [0,3,0,0,0,0|1,0,0]=4 21107 B13R1.466 O=C(CCF)c1ccc(c(c1)F)I 1458a_100000062624_100011217306 [0,3,0,0,0,0|1,0,0]=4 21108 B13R1.466 O=C(CCF)c1ccc(c(c1)F)O 1458a_100000185466_100011217306 [0,3,0,0,0,0|1,0,0]=4 21109 B13R1.466 O=C(CCF)c1ccc(c(c1)I)Br 1458a_100012343876_100011217306 [0,3,0,0,0,0|1,0,0]=4 21110 B13R1.466 O=C(CCF)c1ccc(c(c1)I)Cl 1458a_100000739381_100011217306 [0,3,0,0,0,0|1,0,0]=4 21111 B13R1.466 O=C(CCF)c1ccc(c(c1)I)F 1458a_100000688015_100011217306 [0,3,0,0,0,0|1,0,0]=4 21112 B13R1.466 O=C(CCF)c1ccc(c(c1)I)I 1458a_100000725830_100011217306 [0,3,0,0,0,0|1,0,0]=4 21113 B13R1.466 O=C(CCF)c1ccc(c(c1)I)O 1458a_100000037485_100011217306 [0,3,0,0,0,0|1,0,0]=4 21114 B13R1.466 O=C(CCF)c1ccc(c(c1)O)Br 1458a_100000689001_100011217306 [0,3,0,0,0,0|1,0,0]=4 21115 B13R1.466 O=C(CCF)c1ccc(c(c1)O)Cl 1458a_100011933997_100011217306 [0,3,0,0,0,0|1,0,0]=4 21116 B13R1.466 O=C(CCF)c1ccc(c(c1)O)F 1458a_100000035894_100011217306 [0,3,0,0,0,0|1,0,0]=4 21117 B13R1.466 O=C(CCF)c1ccc(c(c1)O)I 1458a_100000239334_100011217306 [0,3,0,0,0,0|1,0,0]=4 21118 B13R1.466 O=C(CCF)c1ccc(c(c1)O)O 1458a_100000212155_100011217306 [0,3,0,0,0,0|1,0,0]=4 21119 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)Br 1458a_100012339404_100000211926 [0,3,0,0,0,0|1,0,0]=4 21120 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000211926 [0,3,0,0,0,0|1,0,0]=4 21121 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)F 1458a_100000760357_100000211926 [0,3,0,0,0,0|1,0,0]=4 21122 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)I 1458a_100000739115_100000211926 [0,3,0,0,0,0|1,0,0]=4 21123 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)O 1458a_100000189672_100000211926 [0,3,0,0,0,0|1,0,0]=4 21124 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000211926 [0,3,0,0,0,0|1,0,0]=4 21125 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000211926 [0,3,0,0,0,0|1,0,0]=4 21126 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)F 1458a_100000686462_100000211926 [0,3,0,0,0,0|1,0,0]=4 21127 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)I 1458a_100000684831_100000211926 [0,3,0,0,0,0|1,0,0]=4 21128 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)O 1458a_100000212196_100000211926 [0,3,0,0,0,0|1,0,0]=4 21129 B13R1.466 O=C(CCO)c1ccc(c(c1)F)Br 1458a_100000743946_100000211926 [0,3,0,0,0,0|1,0,0]=4 21130 B13R1.466 O=C(CCO)c1ccc(c(c1)F)Cl 1458a_100000743183_100000211926 [0,3,0,0,0,0|1,0,0]=4 21131 B13R1.466 O=C(CCO)c1ccc(c(c1)F)F 1458a_100000209822_100000211926 [0,3,0,0,0,0|1,0,0]=4 21132 B13R1.466 O=C(CCO)c1ccc(c(c1)F)I 1458a_100000062624_100000211926 [0,3,0,0,0,0|1,0,0]=4 21133 B13R1.466 O=C(CCO)c1ccc(c(c1)F)O 1458a_100000185466_100000211926 [0,3,0,0,0,0|1,0,0]=4 21134 B13R1.466 O=C(CCO)c1ccc(c(c1)I)Br 1458a_100012343876_100000211926 [0,3,0,0,0,0|1,0,0]=4 21135 B13R1.466 O=C(CCO)c1ccc(c(c1)I)Cl 1458a_100000739381_100000211926 [0,3,0,0,0,0|1,0,0]=4 21136 B13R1.466 O=C(CCO)c1ccc(c(c1)I)F 1458a_100000688015_100000211926 [0,3,0,0,0,0|1,0,0]=4 21137 B13R1.466 O=C(CCO)c1ccc(c(c1)I)I 1458a_100000725830_100000211926 [0,3,0,0,0,0|1,0,0]=4 21138 B13R1.466 O=C(CCO)c1ccc(c(c1)I)O 1458a_100000037485_100000211926 [0,3,0,0,0,0|1,0,0]=4 21139 B13R1.466 O=C(CCO)c1ccc(c(c1)O)Br 1458a_100000689001_100000211926 [0,3,0,0,0,0|1,0,0]=4 21140 B13R1.466 O=C(CCO)c1ccc(c(c1)O)Cl 1458a_100011933997_100000211926 [0,3,0,0,0,0|1,0,0]=4 21141 B13R1.466 O=C(CCO)c1ccc(c(c1)O)F 1458a_100000035894_100000211926 [0,3,0,0,0,0|1,0,0]=4 21142 B13R1.466 O=C(CCO)c1ccc(c(c1)O)I 1458a_100000239334_100000211926 [0,3,0,0,0,0|1,0,0]=4 21143 B13R1.466 O=C(CCO)c1ccc(c(c1)O)O 1458a_100000212155_100000211926 [0,3,0,0,0,0|1,0,0]=4 21144 B13R1.466 [13CH3]OCC(=O)c1ccc(c(c1)Cl)Cl 7a_100000246375_200025704644 [0,3,0,0,0,0|1,0,0]=4 21145 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Br)F 62a_100011217175_200025704644 [0,3,0,0,0,0|1,0,0]=4 21146 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Br)F 62a_200025704644_100011217175 [0,3,0,0,0,0|1,0,0]=4 21147 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)Br 62a_200012349649_200025704644 [0,3,0,0,0,0|1,0,0]=4 21148 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)Br 62a_200025704644_200012349649 [0,3,0,0,0,0|1,0,0]=4 21149 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)Cl 62a_100000211430_200025704644 [0,3,0,0,0,0|1,0,0]=4 21150 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)Cl 62a_200025704644_100000211430 [0,3,0,0,0,0|1,0,0]=4 21151 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)F 62a_100000757878_200025704644 [0,3,0,0,0,0|1,0,0]=4 21152 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)F 62a_200025704644_100000757878 [0,3,0,0,0,0|1,0,0]=4 21153 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_200025704644 [0,3,0,0,0,0|1,0,0]=4 21154 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)O 62a_200025704644_200010170092 [0,3,0,0,0,0|1,0,0]=4 21155 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)F)Br 62a_100012361357_200025704644 [0,3,0,0,0,0|1,0,0]=4 21156 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)F)Br 62a_200025704644_100012361357 [0,3,0,0,0,0|1,0,0]=4 21157 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)F)Cl 62a_100012351892_200025704644 [0,3,0,0,0,0|1,0,0]=4 21158 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)F)Cl 62a_200025704644_100012351892 [0,3,0,0,0,0|1,0,0]=4 21159 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)F)F 62a_100000183380_200025704644 [0,3,0,0,0,0|1,0,0]=4 21160 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)F)F 62a_200025704644_100000183380 [0,3,0,0,0,0|1,0,0]=4 21161 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)O)O 62a_200025704644_100000183813 [0,3,0,0,0,0|1,0,0]=4 21162 B13R1.1808 CCC(=O)c1ccc(c(c1Br)F)F 1458a_100012356454_100000210202 [0,3,0,0,0,0|1,0,0]=4 21163 B13R1.1808 CCC(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_100000210202 [0,3,0,0,0,0|1,0,0]=4 21164 B13R1.1808 CCC(=O)c1ccc(c(c1C)F)F 1458a_100000061971_100000210202 [0,3,0,0,0,0|1,0,0]=4 21165 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)Br)Cl 1458a_100010208263_100000210202 [0,3,0,0,0,0|1,0,0]=4 21166 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)C)Cl 1458a_100010074829_100000210202 [0,3,0,0,0,0|0,0,0]=3 21167 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)C)F 1458a_100000061447_100000210202 [0,3,0,0,0,0|0,0,0]=3 21168 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)Cl)Br 1458a_200012347731_100000210202 [0,3,0,0,0,0|1,0,0]=4 21169 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)Cl)F 1458a_100010209669_100000210202 [0,3,0,0,0,0|1,0,0]=4 21170 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)F)Cl 1458a_200010192171_100000210202 [0,3,0,0,0,0|1,0,0]=4 21171 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)F)F 1458a_100009888510_100000210202 [0,3,0,0,0,0|1,0,0]=4 21172 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000210202 [0,3,0,0,0,0|1,0,0]=4 21173 B13R1.1808 CCC(=O)c1ccc(c(c1F)Br)Br 1458a_200016032200_100000210202 [0,3,0,0,0,0|1,0,0]=4 21174 B13R1.1808 CCC(=O)c1ccc(c(c1F)Br)F 1458a_100010204296_100000210202 [0,3,0,0,0,0|1,0,0]=4 21175 B13R1.1808 CCC(=O)c1ccc(c(c1F)C)Br 1458a_100000722919_100000210202 [0,3,0,0,0,0|0,0,0]=3 21176 B13R1.1808 CCC(=O)c1ccc(c(c1F)C)C 1458a_100010768504_100000210202 [0,3,0,0,0,0|0,0,0]=3 21177 B13R1.1808 CCC(=O)c1ccc(c(c1F)C)Cl 1458a_100012183103_100000210202 [0,3,0,0,0,0|0,0,0]=3 21178 B13R1.1808 CCC(=O)c1ccc(c(c1F)C)F 1458a_100000067293_100000210202 [0,3,0,0,0,0|0,0,0]=3 21179 B13R1.1808 CCC(=O)c1ccc(c(c1F)Cl)Br 1458a_100000719840_100000210202 [0,3,0,0,0,0|1,0,0]=4 21180 B13R1.1808 CCC(=O)c1ccc(c(c1F)Cl)C 1458a_100000722910_100000210202 [0,3,0,0,0,0|1,0,0]=4 21181 B13R1.1808 CCC(=O)c1ccc(c(c1F)Cl)F 1458a_100000034381_100000210202 [0,3,0,0,0,0|1,0,0]=4 21182 B13R1.1808 CCC(=O)c1ccc(c(c1F)F)Br 1458a_100009816880_100000210202 [0,3,0,0,0,0|1,0,0]=4 21183 B13R1.1808 CCC(=O)c1ccc(c(c1F)F)C 1458a_100011219789_100000210202 [0,3,0,0,0,0|1,0,0]=4 21184 B13R1.1808 CCC(=O)c1ccc(c(c1F)F)Cl 1458a_100000085317_100000210202 [0,3,0,0,0,0|1,0,0]=4 21185 B13R1.1808 CCC(=O)c1ccc(c(c1F)F)F 1458a_100000766628_100000210202 [0,3,0,0,0,0|1,0,0]=4 21186 B13R1.1808 CCC(=O)c1ccc(c(c1F)F)I 1458a_100010177778_100000210202 [0,3,0,0,0,0|1,0,0]=4 21187 B13R1.1808 CCC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_100000210202 [0,3,0,0,0,0|1,0,0]=4 21188 B13R1.1808 CCC(=O)c1ccc(c(c1F)O)F 1458a_100000084588_100000210202 [0,3,0,0,0,0|1,0,0]=4 21189 B13R1.1808 CCC(=O)c1ccc(c(c1I)C)C 1458a_100010188221_100000210202 [0,3,0,0,0,0|0,0,0]=3 21190 B13R1.1808 CCC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_100000210202 [0,3,0,0,0,0|0,0,0]=3 21191 B13R1.1808 CCC(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_100000210202 [0,3,0,0,0,0|1,0,0]=4 21192 B13R1.1808 CCC(=O)c1ccc(c(c1O)F)F 1458a_100011799213_100000210202 [0,3,0,0,0,0|1,0,0]=4 21193 B13R1.1808 CCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210202 [0,3,0,0,0,0|1,0,0]=4 21194 B13R1.1808 CNC(=O)c1ccc(c(c1Br)F)F 11a_106832991635_100012356454 [0,3,0,0,0,0|1,0,0]=4 21195 B13R1.1808 CNC(=O)c1ccc(c(c1Br)F)F 1626a_100102657272_100012356454 [0,3,0,0,0,0|1,0,0]=4 21196 B13R1.1808 CNC(=O)c1ccc(c(c1Br)F)F 240690a_100102657272_100012356454 [0,3,0,0,0,0|1,0,0]=4 21197 B13R1.1808 CNC(=O)c1ccc(c(c1Br)F)F 527a_100102657272_100012356454 [0,3,0,0,0,0|1,0,0]=4 21198 B13R1.1808 CNC(=O)c1ccc(c(c1Br)O)Br 240690a_100102657272_100016068111 [0,3,0,0,0,0|1,0,0]=4 21199 B13R1.1808 CNC(=O)c1ccc(c(c1Br)O)Br 527a_100102657272_100016068111 [0,3,0,0,0,0|1,0,0]=4 21200 B13R1.1808 CNC(=O)c1ccc(c(c1C)F)F 11a_106832991635_100000061971 [0,3,0,0,0,0|1,0,0]=4 21201 B13R1.1808 CNC(=O)c1ccc(c(c1C)F)F 1626a_100102657272_100000061971 [0,3,0,0,0,0|1,0,0]=4 21202 B13R1.1808 CNC(=O)c1ccc(c(c1C)F)F 240690a_100102657272_100000061971 [0,3,0,0,0,0|1,0,0]=4 21203 B13R1.1808 CNC(=O)c1ccc(c(c1C)F)F 527a_100102657272_100000061971 [0,3,0,0,0,0|1,0,0]=4 21204 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Br)Cl 11a_106832991635_100010208263 [0,3,0,0,0,0|1,0,0]=4 21205 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Br)Cl 1626a_100102657272_100010208263 [0,3,0,0,0,0|1,0,0]=4 21206 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Br)Cl 240690a_100102657272_100010208263 [0,3,0,0,0,0|1,0,0]=4 21207 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Br)Cl 527a_100102657272_100010208263 [0,3,0,0,0,0|1,0,0]=4 21208 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 11a_106832991635_100010074829 [0,3,0,0,0,0|0,0,0]=3 21209 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 1626a_100102657272_100010074829 [0,3,0,0,0,0|0,0,0]=3 21210 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 240690a_100102657272_100010074829 [0,3,0,0,0,0|0,0,0]=3 21211 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 527a_100102657272_100010074829 [0,3,0,0,0,0|0,0,0]=3 21212 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 11a_106832991635_100000061447 [0,3,0,0,0,0|0,0,0]=3 21213 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 1626a_100102657272_100000061447 [0,3,0,0,0,0|0,0,0]=3 21214 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 240690a_100102657272_100000061447 [0,3,0,0,0,0|0,0,0]=3 21215 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 527a_100102657272_100000061447 [0,3,0,0,0,0|0,0,0]=3 21216 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)Br 11a_106832991635_200012347731 [0,3,0,0,0,0|1,0,0]=4 21217 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)Br 1626a_100102657272_200012347731 [0,3,0,0,0,0|1,0,0]=4 21218 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)Br 240690a_100102657272_200012347731 [0,3,0,0,0,0|1,0,0]=4 21219 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)Br 527a_100102657272_200012347731 [0,3,0,0,0,0|1,0,0]=4 21220 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)F 11a_106832991635_100010209669 [0,3,0,0,0,0|1,0,0]=4 21221 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)F 1626a_100102657272_100010209669 [0,3,0,0,0,0|1,0,0]=4 21222 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)F 240690a_100102657272_100010209669 [0,3,0,0,0,0|1,0,0]=4 21223 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)F 527a_100102657272_100010209669 [0,3,0,0,0,0|1,0,0]=4 21224 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)Cl 11a_106832991635_200010192171 [0,3,0,0,0,0|1,0,0]=4 21225 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)Cl 1626a_100102657272_200010192171 [0,3,0,0,0,0|1,0,0]=4 21226 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)Cl 240690a_100102657272_200010192171 [0,3,0,0,0,0|1,0,0]=4 21227 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)Cl 527a_100102657272_200010192171 [0,3,0,0,0,0|1,0,0]=4 21228 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)F 11a_106832991635_100009888510 [0,3,0,0,0,0|1,0,0]=4 21229 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)F 1626a_100102657272_100009888510 [0,3,0,0,0,0|1,0,0]=4 21230 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)F 240690a_100102657272_100009888510 [0,3,0,0,0,0|1,0,0]=4 21231 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)F 527a_100102657272_100009888510 [0,3,0,0,0,0|1,0,0]=4 21232 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)O)O 240690a_100102657272_100009910189 [0,3,0,0,0,0|1,0,0]=4 21233 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)Br 11a_106832991635_200016032200 [0,3,0,0,0,0|1,0,0]=4 21234 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)Br 1626a_100102657272_200016032200 [0,3,0,0,0,0|1,0,0]=4 21235 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)Br 240690a_100102657272_200016032200 [0,3,0,0,0,0|1,0,0]=4 21236 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)Br 527a_100102657272_200016032200 [0,3,0,0,0,0|1,0,0]=4 21237 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)F 11a_106832991635_100010204296 [0,3,0,0,0,0|1,0,0]=4 21238 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)F 1626a_100102657272_100010204296 [0,3,0,0,0,0|1,0,0]=4 21239 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)F 240690a_100102657272_100010204296 [0,3,0,0,0,0|1,0,0]=4 21240 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)F 527a_100102657272_100010204296 [0,3,0,0,0,0|1,0,0]=4 21241 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 11a_106832991635_100000722919 [0,3,0,0,0,0|0,0,0]=3 21242 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 1626a_100102657272_100000722919 [0,3,0,0,0,0|0,0,0]=3 21243 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 240690a_100102657272_100000722919 [0,3,0,0,0,0|0,0,0]=3 21244 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 527a_100102657272_100000722919 [0,3,0,0,0,0|0,0,0]=3 21245 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 11a_106832991635_100010768504 [0,3,0,0,0,0|0,0,0]=3 21246 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 1626a_100102657272_100010768504 [0,3,0,0,0,0|0,0,0]=3 21247 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 240690a_100102657272_100010768504 [0,3,0,0,0,0|0,0,0]=3 21248 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 527a_100102657272_100010768504 [0,3,0,0,0,0|0,0,0]=3 21249 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 11a_106832991635_100012183103 [0,3,0,0,0,0|0,0,0]=3 21250 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 1626a_100102657272_100012183103 [0,3,0,0,0,0|0,0,0]=3 21251 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 240690a_100102657272_100012183103 [0,3,0,0,0,0|0,0,0]=3 21252 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 527a_100102657272_100012183103 [0,3,0,0,0,0|0,0,0]=3 21253 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 11a_106832991635_100000067293 [0,3,0,0,0,0|0,0,0]=3 21254 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 1626a_100102657272_100000067293 [0,3,0,0,0,0|0,0,0]=3 21255 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 240690a_100102657272_100000067293 [0,3,0,0,0,0|0,0,0]=3 21256 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 527a_100102657272_100000067293 [0,3,0,0,0,0|0,0,0]=3 21257 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)Br 11a_106832991635_100000719840 [0,3,0,0,0,0|1,0,0]=4 21258 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)Br 1626a_100102657272_100000719840 [0,3,0,0,0,0|1,0,0]=4 21259 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)Br 240690a_100102657272_100000719840 [0,3,0,0,0,0|1,0,0]=4 21260 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)Br 527a_100102657272_100000719840 [0,3,0,0,0,0|1,0,0]=4 21261 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)C 11a_106832991635_100000722910 [0,3,0,0,0,0|1,0,0]=4 21262 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)C 1626a_100102657272_100000722910 [0,3,0,0,0,0|1,0,0]=4 21263 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)C 240690a_100102657272_100000722910 [0,3,0,0,0,0|1,0,0]=4 21264 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)C 527a_100102657272_100000722910 [0,3,0,0,0,0|1,0,0]=4 21265 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)F 11a_106832991635_100000034381 [0,3,0,0,0,0|1,0,0]=4 21266 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)F 1626a_100102657272_100000034381 [0,3,0,0,0,0|1,0,0]=4 21267 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)F 240690a_100102657272_100000034381 [0,3,0,0,0,0|1,0,0]=4 21268 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)F 527a_100102657272_100000034381 [0,3,0,0,0,0|1,0,0]=4 21269 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Br 11a_106832991635_100009816880 [0,3,0,0,0,0|1,0,0]=4 21270 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Br 1626a_100102657272_100009816880 [0,3,0,0,0,0|1,0,0]=4 21271 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Br 240690a_100102657272_100009816880 [0,3,0,0,0,0|1,0,0]=4 21272 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Br 527a_100102657272_100009816880 [0,3,0,0,0,0|1,0,0]=4 21273 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)C 11a_106832991635_100011219789 [0,3,0,0,0,0|1,0,0]=4 21274 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)C 1626a_100102657272_100011219789 [0,3,0,0,0,0|1,0,0]=4 21275 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)C 240690a_100102657272_100011219789 [0,3,0,0,0,0|1,0,0]=4 21276 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)C 527a_100102657272_100011219789 [0,3,0,0,0,0|1,0,0]=4 21277 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Cl 11a_106832991635_100000085317 [0,3,0,0,0,0|1,0,0]=4 21278 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Cl 1626a_100102657272_100000085317 [0,3,0,0,0,0|1,0,0]=4 21279 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Cl 240690a_100102657272_100000085317 [0,3,0,0,0,0|1,0,0]=4 21280 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Cl 527a_100102657272_100000085317 [0,3,0,0,0,0|1,0,0]=4 21281 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F 11a_106832991635_100000766628 [0,3,0,0,0,0|1,0,0]=4 21282 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F 1626a_100102657272_100000766628 [0,3,0,0,0,0|1,0,0]=4 21283 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F 240690a_100102657272_100000766628 [0,3,0,0,0,0|1,0,0]=4 21284 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F 527a_100102657272_100000766628 [0,3,0,0,0,0|1,0,0]=4 21285 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)I 11a_106832991635_100010177778 [0,3,0,0,0,0|1,0,0]=4 21286 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)I 1626a_100102657272_100010177778 [0,3,0,0,0,0|1,0,0]=4 21287 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)I 240690a_100102657272_100010177778 [0,3,0,0,0,0|1,0,0]=4 21288 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)I 527a_100102657272_100010177778 [0,3,0,0,0,0|1,0,0]=4 21289 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)O 240690a_100102657272_100000036740 [0,3,0,0,0,0|1,0,0]=4 21290 B13R1.1808 CNC(=O)c1ccc(c(c1F)O)F 240690a_100102657272_100000084588 [0,3,0,0,0,0|1,0,0]=4 21291 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 11a_106832991635_100010188221 [0,3,0,0,0,0|0,0,0]=3 21292 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 1626a_100102657272_100010188221 [0,3,0,0,0,0|0,0,0]=3 21293 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 240690a_100102657272_100010188221 [0,3,0,0,0,0|0,0,0]=3 21294 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 527a_100102657272_100010188221 [0,3,0,0,0,0|0,0,0]=3 21295 B13R1.1808 CNC(=O)c1ccc(c(c1O)C)C 240690a_100102657272_100000742916 [0,3,0,0,0,0|0,0,0]=3 21296 B13R1.1808 CNC(=O)c1ccc(c(c1O)C)C 527a_100102657272_100000742916 [0,3,0,0,0,0|0,0,0]=3 21297 B13R1.1808 CNC(=O)c1ccc(c(c1O)F)Br 240690a_100102657272_100010761495 [0,3,0,0,0,0|1,0,0]=4 21298 B13R1.1808 CNC(=O)c1ccc(c(c1O)F)Br 527a_100102657272_100010761495 [0,3,0,0,0,0|1,0,0]=4 21299 B13R1.1808 CNC(=O)c1ccc(c(c1O)F)F 240690a_100102657272_100011799213 [0,3,0,0,0,0|1,0,0]=4 21300 B13R1.1808 COC(=O)c1ccc(c(c1C)C)O 271570a_203496583355_100010761469 [0,3,0,0,0,0|0,0,0]=3 21301 B13R1.1808 COC(=O)c1ccc(c(c1C)F)O 271570a_203496583355_100010291505 [0,3,0,0,0,0|1,0,0]=4 21302 B13R1.1808 COC(=O)c1ccc(c(c1C)O)C 271570a_203496583355_200010734123 [0,3,0,0,0,0|1,0,0]=4 21303 B13R1.1808 COC(=O)c1ccc(c(c1C)O)N 271570a_203496583355_100010764323 [0,3,0,0,0,0|1,0,0]=4 21304 B13R1.1808 COC(=O)c1ccc(c(c1C)O)O 271570a_203496583355_100010889012 [0,3,0,0,0,0|1,0,0]=4 21305 B13R1.1808 COC(=O)c1ccc(c(c1Cl)O)N 271570a_203496583355_200016031531 [0,3,0,0,0,0|1,0,0]=4 21306 B13R1.1808 COC(=O)c1ccc(c(c1F)C)O 271570a_203496583355_100010172522 [0,3,0,0,0,0|0,0,0]=3 21307 B13R1.1808 COC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010982024 [0,3,0,0,0,0|1,0,0]=4 21308 B13R1.1808 COC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100000697099 [0,3,0,0,0,0|1,0,0]=4 21309 B13R1.1808 COC(=O)c1ccc(c(c1F)O)O 271570a_203496583355_100011096176 [0,3,0,0,0,0|1,0,0]=4 21310 B13R1.1808 COC(=O)c1ccc(c(c1N)C)O 271570a_203496583355_100000764893 [0,3,0,0,0,0|0,0,0]=3 21311 B13R1.1808 COC(=O)c1ccc(c(c1N)F)O 271570a_203496583355_100022009169 [0,3,0,0,0,0|1,0,0]=4 21312 B13R1.1808 COC(=O)c1ccc(c(c1O)F)F 271570a_203496583355_100010710315 [0,3,0,0,0,0|1,0,0]=4 21313 B13R1.1808 COC(=O)c1ccc(c(c1O)F)O 271570a_203496583355_100011092008 [0,3,0,0,0,0|1,0,0]=4 21314 B13R1.1808 Cc1c(ccc(c1Cl)C(=O)CF)Cl 1458a_100010074829_100015361967 [0,3,0,0,0,0|0,0,0]=3 21315 B13R1.1808 Cc1c(ccc(c1Cl)C(=O)CF)F 1458a_100000061447_100015361967 [0,3,0,0,0,0|0,0,0]=3 21316 B13R1.1808 Cc1c(ccc(c1F)C(=O)CF)Br 1458a_100000722919_100015361967 [0,3,0,0,0,0|0,0,0]=3 21317 B13R1.1808 Cc1c(ccc(c1F)C(=O)CF)Cl 1458a_100012183103_100015361967 [0,3,0,0,0,0|0,0,0]=3 21318 B13R1.1808 Cc1c(ccc(c1F)C(=O)CF)F 1458a_100000067293_100015361967 [0,3,0,0,0,0|0,0,0]=3 21319 B13R1.1808 Cc1c(ccc(c1F)F)C(=O)CF 1458a_100000061971_100015361967 [0,3,0,0,0,0|1,0,0]=4 21320 B13R1.1808 Cc1ccc(c(c1C)F)C(=O)CF 1458a_100010768504_100015361967 [0,3,0,0,0,0|0,0,0]=3 21321 B13R1.1808 Cc1ccc(c(c1C)I)C(=O)CF 1458a_100010188221_100015361967 [0,3,0,0,0,0|0,0,0]=3 21322 B13R1.1808 Cc1ccc(c(c1C)O)C(=O)CF 1458a_100000742916_100015361967 [0,3,0,0,0,0|0,0,0]=3 21323 B13R1.1808 Cc1ccc(c(c1Cl)F)C(=O)CF 1458a_100000722910_100015361967 [0,3,0,0,0,0|1,0,0]=4 21324 B13R1.1808 Cc1ccc(c(c1F)F)C(=O)CF 1458a_100011219789_100015361967 [0,3,0,0,0,0|1,0,0]=4 21325 B13R1.1808 O=C(CF)c1ccc(c(c1Br)F)F 1458a_100012356454_100015361967 [0,3,0,0,0,0|1,0,0]=4 21326 B13R1.1808 O=C(CF)c1ccc(c(c1Br)O)Br 1458a_100016068111_100015361967 [0,3,0,0,0,0|1,0,0]=4 21327 B13R1.1808 O=C(CF)c1ccc(c(c1Cl)Br)Cl 1458a_100010208263_100015361967 [0,3,0,0,0,0|1,0,0]=4 21328 B13R1.1808 O=C(CF)c1ccc(c(c1Cl)Cl)Br 1458a_200012347731_100015361967 [0,3,0,0,0,0|1,0,0]=4 21329 B13R1.1808 O=C(CF)c1ccc(c(c1Cl)Cl)F 1458a_100010209669_100015361967 [0,3,0,0,0,0|1,0,0]=4 21330 B13R1.1808 O=C(CF)c1ccc(c(c1Cl)F)Cl 1458a_200010192171_100015361967 [0,3,0,0,0,0|1,0,0]=4 21331 B13R1.1808 O=C(CF)c1ccc(c(c1Cl)F)F 1458a_100009888510_100015361967 [0,3,0,0,0,0|1,0,0]=4 21332 B13R1.1808 O=C(CF)c1ccc(c(c1Cl)O)O 1458a_100009910189_100015361967 [0,3,0,0,0,0|1,0,0]=4 21333 B13R1.1808 O=C(CF)c1ccc(c(c1F)Br)Br 1458a_200016032200_100015361967 [0,3,0,0,0,0|1,0,0]=4 21334 B13R1.1808 O=C(CF)c1ccc(c(c1F)Br)F 1458a_100010204296_100015361967 [0,3,0,0,0,0|1,0,0]=4 21335 B13R1.1808 O=C(CF)c1ccc(c(c1F)Cl)Br 1458a_100000719840_100015361967 [0,3,0,0,0,0|1,0,0]=4 21336 B13R1.1808 O=C(CF)c1ccc(c(c1F)Cl)F 1458a_100000034381_100015361967 [0,3,0,0,0,0|1,0,0]=4 21337 B13R1.1808 O=C(CF)c1ccc(c(c1F)F)Br 1458a_100009816880_100015361967 [0,3,0,0,0,0|1,0,0]=4 21338 B13R1.1808 O=C(CF)c1ccc(c(c1F)F)Cl 1458a_100000085317_100015361967 [0,3,0,0,0,0|1,0,0]=4 21339 B13R1.1808 O=C(CF)c1ccc(c(c1F)F)F 1458a_100000766628_100015361967 [0,3,0,0,0,0|1,0,0]=4 21340 B13R1.1808 O=C(CF)c1ccc(c(c1F)F)I 1458a_100010177778_100015361967 [0,3,0,0,0,0|1,0,0]=4 21341 B13R1.1808 O=C(CF)c1ccc(c(c1F)F)O 1458a_100000036740_100015361967 [0,3,0,0,0,0|1,0,0]=4 21342 B13R1.1808 O=C(CF)c1ccc(c(c1F)O)F 1458a_100000084588_100015361967 [0,3,0,0,0,0|1,0,0]=4 21343 B13R1.1808 O=C(CF)c1ccc(c(c1O)F)Br 1458a_100010761495_100015361967 [0,3,0,0,0,0|1,0,0]=4 21344 B13R1.1808 O=C(CF)c1ccc(c(c1O)F)F 1458a_100011799213_100015361967 [0,3,0,0,0,0|1,0,0]=4 21345 B13R1.1808 O=C(CF)c1ccc(c(c1O)O)O 1458a_100000037941_100015361967 [0,3,0,0,0,0|1,0,0]=4 21346 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)C)Br 1458a_100000187602_100000210202 [0,3,0,0,0,0|1,0,0]=4 21347 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)C)F 1458a_200012347618_100000210202 [0,3,0,0,0,0|1,0,0]=4 21348 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)Cl)Cl 1458a_200012920480_100000210202 [0,3,0,0,0,0|1,0,0]=4 21349 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)Cl)F 1458a_100010291025_100000210202 [0,3,0,0,0,0|1,0,0]=4 21350 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)F)F 1458a_100010259547_100000210202 [0,3,0,0,0,0|1,0,0]=4 21351 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100000210202 [0,3,0,0,0,0|1,0,0]=4 21352 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210202 [0,3,0,0,0,0|1,0,0]=4 21353 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)Br)C 1458a_100000700660_100000210202 [0,3,0,0,0,0|0,0,0]=3 21354 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)C)C 1458a_100000075298_100000210202 [0,3,0,0,0,0|0,0,0]=3 21355 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)Cl)C 1458a_100000102532_100000210202 [0,3,0,0,0,0|0,0,0]=3 21356 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)F)C 1458a_100000741972_100000210202 [0,3,0,0,0,0|0,0,0]=3 21357 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)I)C 1458a_100010769667_100000210202 [0,3,0,0,0,0|0,0,0]=3 21358 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_100000210202 [0,3,0,0,0,0|0,0,0]=3 21359 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)Br)Cl 1458a_100012354307_100000210202 [0,3,0,0,0,0|1,0,0]=4 21360 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)C)Cl 1458a_100012356007_100000210202 [0,3,0,0,0,0|1,0,0]=4 21361 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)Cl)Cl 1458a_100012339221_100000210202 [0,3,0,0,0,0|1,0,0]=4 21362 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)Cl)F 1458a_200010244527_100000210202 [0,3,0,0,0,0|1,0,0]=4 21363 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)F)Cl 1458a_100011934374_100000210202 [0,3,0,0,0,0|1,0,0]=4 21364 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)F)F 1458a_100000068011_100000210202 [0,3,0,0,0,0|1,0,0]=4 21365 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100000210202 [0,3,0,0,0,0|1,0,0]=4 21366 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210202 [0,3,0,0,0,0|1,0,0]=4 21367 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)Br)F 1458a_100010078405_100000210202 [0,3,0,0,0,0|1,0,0]=4 21368 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)C)F 1458a_100000055762_100000210202 [0,3,0,0,0,0|1,0,0]=4 21369 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)Cl)F 1458a_100000104779_100000210202 [0,3,0,0,0,0|1,0,0]=4 21370 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)F)C 1458a_100000061453_100000210202 [0,3,0,0,0,0|0,0,0]=3 21371 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)F)F 1458a_100000751656_100000210202 [0,3,0,0,0,0|1,0,0]=4 21372 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_100000210202 [0,3,0,0,0,0|1,0,0]=4 21373 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_100000210202 [0,3,0,0,0,0|1,0,0]=4 21374 B13R1.2678 CCC(=O)c1cc(c(c(c1)I)C)F 1458a_100012344050_100000210202 [0,3,0,0,0,0|1,0,0]=4 21375 B13R1.2678 CCC(=O)c1cc(c(c(c1)I)I)I 1458a_100000033816_100000210202 [0,3,0,0,0,0|1,0,0]=4 21376 B13R1.2678 CCC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100000210202 [0,3,0,0,0,0|1,0,0]=4 21377 B13R1.2678 CCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000210202 [0,3,0,0,0,0|1,0,0]=4 21378 B13R1.2678 CCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000210202 [0,3,0,0,0,0|1,0,0]=4 21379 B13R1.2678 CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210202 [0,3,0,0,0,0|1,0,0]=4 21380 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)C)Br 11a_106832991635_100000187602 [0,3,0,0,0,0|1,0,0]=4 21381 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)C)Br 1626a_100102657272_100000187602 [0,3,0,0,0,0|1,0,0]=4 21382 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)C)Br 240690a_100102657272_100000187602 [0,3,0,0,0,0|1,0,0]=4 21383 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)C)Br 527a_100102657272_100000187602 [0,3,0,0,0,0|1,0,0]=4 21384 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)C)F 11a_106832991635_200012347618 [0,3,0,0,0,0|1,0,0]=4 21385 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)C)F 1626a_100102657272_200012347618 [0,3,0,0,0,0|1,0,0]=4 21386 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)C)F 240690a_100102657272_200012347618 [0,3,0,0,0,0|1,0,0]=4 21387 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)C)F 527a_100102657272_200012347618 [0,3,0,0,0,0|1,0,0]=4 21388 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)Cl)Cl 11a_106832991635_200012920480 [0,3,0,0,0,0|1,0,0]=4 21389 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)Cl)Cl 1626a_100102657272_200012920480 [0,3,0,0,0,0|1,0,0]=4 21390 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)Cl)Cl 240690a_100102657272_200012920480 [0,3,0,0,0,0|1,0,0]=4 21391 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)Cl)Cl 527a_100102657272_200012920480 [0,3,0,0,0,0|1,0,0]=4 21392 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)Cl)F 11a_106832991635_100010291025 [0,3,0,0,0,0|1,0,0]=4 21393 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)Cl)F 1626a_100102657272_100010291025 [0,3,0,0,0,0|1,0,0]=4 21394 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)Cl)F 240690a_100102657272_100010291025 [0,3,0,0,0,0|1,0,0]=4 21395 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)Cl)F 527a_100102657272_100010291025 [0,3,0,0,0,0|1,0,0]=4 21396 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)F)F 11a_106832991635_100010259547 [0,3,0,0,0,0|1,0,0]=4 21397 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)F)F 1626a_100102657272_100010259547 [0,3,0,0,0,0|1,0,0]=4 21398 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)F)F 240690a_100102657272_100010259547 [0,3,0,0,0,0|1,0,0]=4 21399 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)F)F 527a_100102657272_100010259547 [0,3,0,0,0,0|1,0,0]=4 21400 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)O)Br 240690a_100102657272_100000692688 [0,3,0,0,0,0|1,0,0]=4 21401 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)O)Br 527a_100102657272_100000692688 [0,3,0,0,0,0|1,0,0]=4 21402 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100102657272_200009992764 [0,3,0,0,0,0|1,0,0]=4 21403 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)Br)C 11a_106832991635_100000700660 [0,3,0,0,0,0|0,0,0]=3 21404 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)Br)C 1626a_100102657272_100000700660 [0,3,0,0,0,0|0,0,0]=3 21405 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)Br)C 240690a_100102657272_100000700660 [0,3,0,0,0,0|0,0,0]=3 21406 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)Br)C 527a_100102657272_100000700660 [0,3,0,0,0,0|0,0,0]=3 21407 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)C)C 11a_106832991635_100000075298 [0,3,0,0,0,0|0,0,0]=3 21408 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)C)C 1626a_100102657272_100000075298 [0,3,0,0,0,0|0,0,0]=3 21409 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)C)C 240690a_100102657272_100000075298 [0,3,0,0,0,0|0,0,0]=3 21410 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)C)C 527a_100102657272_100000075298 [0,3,0,0,0,0|0,0,0]=3 21411 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)Cl)C 11a_106832991635_100000102532 [0,3,0,0,0,0|0,0,0]=3 21412 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)Cl)C 1626a_100102657272_100000102532 [0,3,0,0,0,0|0,0,0]=3 21413 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)Cl)C 240690a_100102657272_100000102532 [0,3,0,0,0,0|0,0,0]=3 21414 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)Cl)C 527a_100102657272_100000102532 [0,3,0,0,0,0|0,0,0]=3 21415 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)F)C 11a_106832991635_100000741972 [0,3,0,0,0,0|0,0,0]=3 21416 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)F)C 1626a_100102657272_100000741972 [0,3,0,0,0,0|0,0,0]=3 21417 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)F)C 240690a_100102657272_100000741972 [0,3,0,0,0,0|0,0,0]=3 21418 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)F)C 527a_100102657272_100000741972 [0,3,0,0,0,0|0,0,0]=3 21419 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)I)C 11a_106832991635_100010769667 [0,3,0,0,0,0|0,0,0]=3 21420 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)I)C 1626a_100102657272_100010769667 [0,3,0,0,0,0|0,0,0]=3 21421 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)I)C 240690a_100102657272_100010769667 [0,3,0,0,0,0|0,0,0]=3 21422 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)I)C 527a_100102657272_100010769667 [0,3,0,0,0,0|0,0,0]=3 21423 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)O)C 240690a_100102657272_100011219978 [0,3,0,0,0,0|0,0,0]=3 21424 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)O)C 527a_100102657272_100011219978 [0,3,0,0,0,0|0,0,0]=3 21425 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)Br)Cl 11a_106832991635_100012354307 [0,3,0,0,0,0|1,0,0]=4 21426 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)Br)Cl 1626a_100102657272_100012354307 [0,3,0,0,0,0|1,0,0]=4 21427 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)Br)Cl 240690a_100102657272_100012354307 [0,3,0,0,0,0|1,0,0]=4 21428 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)C)Cl 11a_106832991635_100012356007 [0,3,0,0,0,0|1,0,0]=4 21429 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)C)Cl 1626a_100102657272_100012356007 [0,3,0,0,0,0|1,0,0]=4 21430 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)C)Cl 240690a_100102657272_100012356007 [0,3,0,0,0,0|1,0,0]=4 21431 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)C)Cl 527a_100102657272_100012356007 [0,3,0,0,0,0|1,0,0]=4 21432 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)Cl)Cl 11a_106832991635_100012339221 [0,3,0,0,0,0|1,0,0]=4 21433 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)Cl)Cl 1626a_100102657272_100012339221 [0,3,0,0,0,0|1,0,0]=4 21434 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)Cl)Cl 240690a_100102657272_100012339221 [0,3,0,0,0,0|1,0,0]=4 21435 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)Cl)Cl 527a_100102657272_100012339221 [0,3,0,0,0,0|1,0,0]=4 21436 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)Cl)F 11a_106832991635_200010244527 [0,3,0,0,0,0|1,0,0]=4 21437 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)Cl)F 1626a_100102657272_200010244527 [0,3,0,0,0,0|1,0,0]=4 21438 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)Cl)F 240690a_100102657272_200010244527 [0,3,0,0,0,0|1,0,0]=4 21439 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)Cl)F 527a_100102657272_200010244527 [0,3,0,0,0,0|1,0,0]=4 21440 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)F)Cl 11a_106832991635_100011934374 [0,3,0,0,0,0|1,0,0]=4 21441 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)F)Cl 1626a_100102657272_100011934374 [0,3,0,0,0,0|1,0,0]=4 21442 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)F)Cl 240690a_100102657272_100011934374 [0,3,0,0,0,0|1,0,0]=4 21443 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)F)F 11a_106832991635_100000068011 [0,3,0,0,0,0|1,0,0]=4 21444 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)F)F 1626a_100102657272_100000068011 [0,3,0,0,0,0|1,0,0]=4 21445 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)F)F 240690a_100102657272_100000068011 [0,3,0,0,0,0|1,0,0]=4 21446 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)F)F 527a_100102657272_100000068011 [0,3,0,0,0,0|1,0,0]=4 21447 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)O)Cl 240690a_100102657272_100000184433 [0,3,0,0,0,0|1,0,0]=4 21448 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)O)Cl 527a_100102657272_100000184433 [0,3,0,0,0,0|1,0,0]=4 21449 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100102657272_200000078382 [0,3,0,0,0,0|1,0,0]=4 21450 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)Br)F 11a_106832991635_100010078405 [0,3,0,0,0,0|1,0,0]=4 21451 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)Br)F 1626a_100102657272_100010078405 [0,3,0,0,0,0|1,0,0]=4 21452 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)Br)F 240690a_100102657272_100010078405 [0,3,0,0,0,0|1,0,0]=4 21453 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)Br)F 527a_100102657272_100010078405 [0,3,0,0,0,0|1,0,0]=4 21454 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)C)F 11a_106832991635_100000055762 [0,3,0,0,0,0|1,0,0]=4 21455 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)C)F 1626a_100102657272_100000055762 [0,3,0,0,0,0|1,0,0]=4 21456 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)C)F 240690a_100102657272_100000055762 [0,3,0,0,0,0|1,0,0]=4 21457 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)C)F 527a_100102657272_100000055762 [0,3,0,0,0,0|1,0,0]=4 21458 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)Cl)F 11a_106832991635_100000104779 [0,3,0,0,0,0|1,0,0]=4 21459 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)Cl)F 1626a_100102657272_100000104779 [0,3,0,0,0,0|1,0,0]=4 21460 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)Cl)F 240690a_100102657272_100000104779 [0,3,0,0,0,0|1,0,0]=4 21461 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)Cl)F 527a_100102657272_100000104779 [0,3,0,0,0,0|1,0,0]=4 21462 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)F)C 11a_106832991635_100000061453 [0,3,0,0,0,0|0,0,0]=3 21463 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)F)C 1626a_100102657272_100000061453 [0,3,0,0,0,0|0,0,0]=3 21464 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)F)C 240690a_100102657272_100000061453 [0,3,0,0,0,0|0,0,0]=3 21465 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)F)C 527a_100102657272_100000061453 [0,3,0,0,0,0|0,0,0]=3 21466 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)F)F 11a_106832991635_100000751656 [0,3,0,0,0,0|1,0,0]=4 21467 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)F)F 1626a_100102657272_100000751656 [0,3,0,0,0,0|1,0,0]=4 21468 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)F)F 240690a_100102657272_100000751656 [0,3,0,0,0,0|1,0,0]=4 21469 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)F)F 527a_100102657272_100000751656 [0,3,0,0,0,0|1,0,0]=4 21470 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)F)O 240690a_100102657272_200000081825 [0,3,0,0,0,0|1,0,0]=4 21471 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)O)F 240690a_100102657272_100000766045 [0,3,0,0,0,0|1,0,0]=4 21472 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)O)F 527a_100102657272_100000766045 [0,3,0,0,0,0|1,0,0]=4 21473 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)C)F 11a_106832991635_100012344050 [0,3,0,0,0,0|1,0,0]=4 21474 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)C)F 1626a_100102657272_100012344050 [0,3,0,0,0,0|1,0,0]=4 21475 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)C)F 240690a_100102657272_100012344050 [0,3,0,0,0,0|1,0,0]=4 21476 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)C)F 527a_100102657272_100012344050 [0,3,0,0,0,0|1,0,0]=4 21477 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)I)I 11a_106832991635_100000033816 [0,3,0,0,0,0|1,0,0]=4 21478 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)I)I 1626a_100102657272_100000033816 [0,3,0,0,0,0|1,0,0]=4 21479 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)I)I 527a_100102657272_100000033816 [0,3,0,0,0,0|1,0,0]=4 21480 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)O)I 1626a_100102657272_100000034356 [0,3,0,0,0,0|1,0,0]=4 21481 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)O)I 240690a_100102657272_100000034356 [0,3,0,0,0,0|1,0,0]=4 21482 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)O)I 527a_100102657272_100000034356 [0,3,0,0,0,0|1,0,0]=4 21483 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100102657272_100009812877 [0,3,0,0,0,0|1,0,0]=4 21484 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)C)O 240690a_100102657272_100000031928 [0,3,0,0,0,0|1,0,0]=4 21485 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)C)O 527a_100102657272_100000031928 [0,3,0,0,0,0|1,0,0]=4 21486 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100102657272_100000074654 [0,3,0,0,0,0|1,0,0]=4 21487 B13R1.2678 COC(=O)c1cc(c(=O)n(c1)C)O 271570a_203496583355_200010887340 [0,3,0,0,0,0|1,0,0]=4 21488 B13R1.2678 COC(=O)c1cc(c(c(c1)Br)O)Cl 271570a_203496583355_100012361296 [0,3,0,0,0,0|1,0,0]=4 21489 B13R1.2678 COC(=O)c1cc(c(c(c1)C)O)C 271570a_203496583355_100010209423 [0,3,0,0,0,0|0,0,0]=3 21490 B13R1.2678 COC(=O)c1cc(c(c(c1)Cl)C)O 271570a_203496583355_100012360618 [0,3,0,0,0,0|1,0,0]=4 21491 B13R1.2678 COC(=O)c1cc(c(c(c1)Cl)O)O 271570a_203496583355_100135280131 [0,3,0,0,0,0|1,0,0]=4 21492 B13R1.2678 COC(=O)c1cc(c(c(c1)F)C)O 271570a_203496583355_100012920391 [0,3,0,0,0,0|1,0,0]=4 21493 B13R1.2678 COC(=O)c1cc(c(c(c1)F)F)O 271570a_203496583355_100010189562 [0,3,0,0,0,0|1,0,0]=4 21494 B13R1.2678 COC(=O)c1cc(c(c(c1)F)N)O 271570a_203496583355_100010170820 [0,3,0,0,0,0|1,0,0]=4 21495 B13R1.2678 COC(=O)c1cc(c(c(c1)F)O)F 271570a_203496583355_200010155432 [0,3,0,0,0,0|1,0,0]=4 21496 B13R1.2678 COC(=O)c1cc(c(c(c1)O)C)N 271570a_203496583355_100012353609 [0,3,0,0,0,0|1,0,0]=4 21497 B13R1.2678 COC(=O)c1cc(c(c(c1)O)F)N 271570a_203496583355_200010713629 [0,3,0,0,0,0|1,0,0]=4 21498 B13R1.2678 COC(=O)c1cc(c(c(c1)O)N)C 271570a_203496583355_100010177015 [0,3,0,0,0,0|0,0,0]=3 21499 B13R1.2678 COC(=O)c1cc(c(c(c1)O)N)N 271570a_203496583355_100010128412 [0,3,0,0,0,0|1,0,0]=4 21500 B13R1.2678 COC(=O)c1cc(c(c(c1)O)O)N 271570a_203496583355_100010372079 [0,3,0,0,0,0|1,0,0]=4 21501 B13R1.2678 COC(=O)c1cc(c(c(c1)O)O)O 271570a_203496583355_100010192586 [0,3,0,0,0,0|1,0,0]=4 21502 B13R1.2678 Cc1c(cc(cc1Br)C(=O)CF)Br 1458a_100000187602_100015361967 [0,3,0,0,0,0|1,0,0]=4 21503 B13R1.2678 Cc1c(cc(cc1Br)C(=O)CF)F 1458a_200012347618_100015361967 [0,3,0,0,0,0|1,0,0]=4 21504 B13R1.2678 Cc1c(cc(cc1Cl)C(=O)CF)Cl 1458a_100012356007_100015361967 [0,3,0,0,0,0|1,0,0]=4 21505 B13R1.2678 Cc1c(cc(cc1F)C(=O)CF)F 1458a_100000055762_100015361967 [0,3,0,0,0,0|1,0,0]=4 21506 B13R1.2678 Cc1c(cc(cc1I)C(=O)CF)F 1458a_100012344050_100015361967 [0,3,0,0,0,0|1,0,0]=4 21507 B13R1.2678 Cc1c(cc(cc1O)C(=O)CF)O 1458a_100000031928_100015361967 [0,3,0,0,0,0|1,0,0]=4 21508 B13R1.2678 Cc1cc(cc(c1Br)C)C(=O)CF 1458a_100000700660_100015361967 [0,3,0,0,0,0|0,0,0]=3 21509 B13R1.2678 Cc1cc(cc(c1C)C)C(=O)CF 1458a_100000075298_100015361967 [0,3,0,0,0,0|0,0,0]=3 21510 B13R1.2678 Cc1cc(cc(c1Cl)C)C(=O)CF 1458a_100000102532_100015361967 [0,3,0,0,0,0|0,0,0]=3 21511 B13R1.2678 Cc1cc(cc(c1F)C)C(=O)CF 1458a_100000741972_100015361967 [0,3,0,0,0,0|0,0,0]=3 21512 B13R1.2678 Cc1cc(cc(c1F)F)C(=O)CF 1458a_100000061453_100015361967 [0,3,0,0,0,0|0,0,0]=3 21513 B13R1.2678 Cc1cc(cc(c1I)C)C(=O)CF 1458a_100010769667_100015361967 [0,3,0,0,0,0|0,0,0]=3 21514 B13R1.2678 Cc1cc(cc(c1O)C)C(=O)CF 1458a_100011219978_100015361967 [0,3,0,0,0,0|0,0,0]=3 21515 B13R1.2678 O=C(CF)c1cc(c(c(c1)Br)Cl)Cl 1458a_200012920480_100015361967 [0,3,0,0,0,0|1,0,0]=4 21516 B13R1.2678 O=C(CF)c1cc(c(c(c1)Br)Cl)F 1458a_100010291025_100015361967 [0,3,0,0,0,0|1,0,0]=4 21517 B13R1.2678 O=C(CF)c1cc(c(c(c1)Br)F)F 1458a_100010259547_100015361967 [0,3,0,0,0,0|1,0,0]=4 21518 B13R1.2678 O=C(CF)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100015361967 [0,3,0,0,0,0|1,0,0]=4 21519 B13R1.2678 O=C(CF)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100015361967 [0,3,0,0,0,0|1,0,0]=4 21520 B13R1.2678 O=C(CF)c1cc(c(c(c1)Cl)Br)Cl 1458a_100012354307_100015361967 [0,3,0,0,0,0|1,0,0]=4 21521 B13R1.2678 O=C(CF)c1cc(c(c(c1)Cl)Cl)Cl 1458a_100012339221_100015361967 [0,3,0,0,0,0|1,0,0]=4 21522 B13R1.2678 O=C(CF)c1cc(c(c(c1)Cl)Cl)F 1458a_200010244527_100015361967 [0,3,0,0,0,0|1,0,0]=4 21523 B13R1.2678 O=C(CF)c1cc(c(c(c1)Cl)F)Cl 1458a_100011934374_100015361967 [0,3,0,0,0,0|1,0,0]=4 21524 B13R1.2678 O=C(CF)c1cc(c(c(c1)Cl)F)F 1458a_100000068011_100015361967 [0,3,0,0,0,0|1,0,0]=4 21525 B13R1.2678 O=C(CF)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100015361967 [0,3,0,0,0,0|1,0,0]=4 21526 B13R1.2678 O=C(CF)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100015361967 [0,3,0,0,0,0|1,0,0]=4 21527 B13R1.2678 O=C(CF)c1cc(c(c(c1)F)Br)F 1458a_100010078405_100015361967 [0,3,0,0,0,0|1,0,0]=4 21528 B13R1.2678 O=C(CF)c1cc(c(c(c1)F)Cl)F 1458a_100000104779_100015361967 [0,3,0,0,0,0|1,0,0]=4 21529 B13R1.2678 O=C(CF)c1cc(c(c(c1)F)F)F 1458a_100000751656_100015361967 [0,3,0,0,0,0|1,0,0]=4 21530 B13R1.2678 O=C(CF)c1cc(c(c(c1)F)F)O 1458a_200000081825_100015361967 [0,3,0,0,0,0|1,0,0]=4 21531 B13R1.2678 O=C(CF)c1cc(c(c(c1)F)O)F 1458a_100000766045_100015361967 [0,3,0,0,0,0|1,0,0]=4 21532 B13R1.2678 O=C(CF)c1cc(c(c(c1)I)I)I 1458a_100000033816_100015361967 [0,3,0,0,0,0|1,0,0]=4 21533 B13R1.2678 O=C(CF)c1cc(c(c(c1)I)O)I 1458a_100000034356_100015361967 [0,3,0,0,0,0|1,0,0]=4 21534 B13R1.2678 O=C(CF)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100015361967 [0,3,0,0,0,0|1,0,0]=4 21535 B13R1.2678 O=C(CF)c1cc(c(c(c1)O)O)O 1458a_100000212154_100015361967 [0,3,0,0,0,0|1,0,0]=4 21536 B13R1.3158 C=Cc1c(ccc(c1F)F)C(=O)C 271570a_100011290941_200013857550 [0,3,0,0,0,0|1,0,0]=4 21537 B13R1.3158 CC(=O)c1ccc(c(c1S[13CH3])F)F 62a_200013857550_200025704644 [0,3,0,0,0,0|1,0,0]=4 21538 B13R1.3158 CC(=O)c1ccc(c(c1S[13CH3])F)F 62a_200025704644_200013857550 [0,3,0,0,0,0|1,0,0]=4 21539 B13R1.3158 COc1c(ccc(c1Cl)Cl)C(=O)C 1458a_100010981877_200000210301 [0,3,0,0,0,0|1,0,0]=4 21540 B13R1.3158 COc1c(ccc(c1Cl)Cl)C(=O)[13CH3] 1458a_100010981877_200025704644 [0,3,0,0,0,0|1,0,0]=4 21541 B13R1.3158 COc1c(ccc(c1F)F)C(=O)C 1458a_100000061878_200000210301 [0,3,0,0,0,0|1,0,0]=4 21542 B13R1.3158 COc1c(ccc(c1F)F)C(=O)[13CH3] 1458a_100000061878_200025704644 [0,3,0,0,0,0|1,0,0]=4 21543 B13R1.3158 CSc1c(ccc(c1F)F)C(=O)C 62a_200000210301_200013857550 [0,3,0,0,0,0|1,0,0]=4 21544 B13R1.3158 CSc1c(ccc(c1F)F)C(=O)C 62a_200013857550_200000210301 [0,3,0,0,0,0|1,0,0]=4 21545 B13R1.7 CNS(=O)(=O)c1cccc(c1Br)C 270084a_100102657272_100000690207 [0,3,0,0,0,0|1,0,0]=4 21546 B13R1.7 CNS(=O)(=O)c1cccc(c1Br)C 274078a_100102657272_100000690207 [0,3,0,0,0,0|1,0,0]=4 21547 B13R1.30 CCNS(=O)(=O)c1cccc(c1)C 270084a_100015525214_100000182797 [0,3,0,0,0,0|1,0,0]=4 21548 B13R1.30 CCNS(=O)(=O)c1cccc(c1)C 274078a_100015525214_100000182797 [0,3,0,0,0,0|1,0,0]=4 21549 B13R1.30 CCNS(=O)(=O)c1cccc(c1)C 40a_100015525214_100010983817 [0,3,0,0,0,0|1,0,0]=4 21550 B13R1.30 CNNS(=O)(=O)c1cccc(c1)C 40a_100016993582_100010983817 [0,3,0,0,0,0|1,0,0]=4 21551 B13R1.257 CNS(=O)(=O)c1cc(ccc1Br)C 270084a_100102657272_100000755929 [0,3,0,0,0,0|1,0,0]=4 21552 B13R1.257 CNS(=O)(=O)c1cc(ccc1Br)C 274078a_100102657272_100000755929 [0,3,0,0,0,0|1,0,0]=4 21553 B13R1.257 CNS(=O)(=O)c1cc(ccc1C)C 270084a_100102657272_100000182921 [0,3,0,0,0,0|1,0,0]=4 21554 B13R1.257 CNS(=O)(=O)c1cc(ccc1C)C 274078a_100102657272_100000182921 [0,3,0,0,0,0|1,0,0]=4 21555 B13R1.257 CNS(=O)(=O)c1cc(ccc1Cl)C 270084a_100102657272_100000695277 [0,3,0,0,0,0|1,0,0]=4 21556 B13R1.257 CNS(=O)(=O)c1cc(ccc1Cl)C 274078a_100102657272_100000695277 [0,3,0,0,0,0|1,0,0]=4 21557 B13R1.257 CNS(=O)(=O)c1cc(ccc1F)C 270084a_100102657272_100000739338 [0,3,0,0,0,0|1,0,0]=4 21558 B13R1.257 CNS(=O)(=O)c1cc(ccc1F)C 274078a_100102657272_100000739338 [0,3,0,0,0,0|1,0,0]=4 21559 B13R1.260 CNS(=O)(=O)c1cc(cc(c1)Br)C 270084a_100102657272_100000708958 [0,3,0,0,0,0|1,0,0]=4 21560 B13R1.260 CNS(=O)(=O)c1cc(cc(c1)Br)C 274078a_100102657272_100000708958 [0,3,0,0,0,0|1,0,0]=4 21561 B13R1.260 CNS(=O)(=O)c1cc(cc(c1)C)C 270084a_100102657272_100000184731 [0,3,0,0,0,0|1,0,0]=4 21562 B13R1.260 CNS(=O)(=O)c1cc(cc(c1)C)C 274078a_100102657272_100000184731 [0,3,0,0,0,0|1,0,0]=4 21563 B13R1.3040 CCS(=O)(=O)c1cccc(c1)SC 62a_100009815775_200000210301 [0,3,0,0,0,0|1,0,0]=4 21564 B13R1.3040 CCS(=O)(=O)c1cccc(c1)SC 62a_200000210301_100009815775 [0,3,0,0,0,0|1,0,0]=4 21565 B13R1.3040 CCS(=O)(=O)c1cccc(c1)S[13CH3] 62a_100009815775_200025704644 [0,3,0,0,0,0|1,0,0]=4 21566 B13R1.3040 CCS(=O)(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009815775 [0,3,0,0,0,0|1,0,0]=4 21567 B13R1.3040 CNS(=O)(=O)c1cccc(c1)CBr 270084a_100102657272_200000734173 [0,3,0,0,0,0|1,0,0]=4 21568 B13R1.3040 CNS(=O)(=O)c1cccc(c1)CBr 274078a_100102657272_200000734173 [0,3,0,0,0,0|1,0,0]=4 21569 B13R1.3040 CNS(=O)(=O)c1cccc(c1)N[13CH3] 34a_100000738320_200025704644 [0,3,0,0,0,0|1,0,0]=4 21570 B13R1.3040 CNS(=O)(=O)c1cccc(c1)N[13CH3] 7a_100000738320_200025704644 [0,3,0,0,0,0|1,0,0]=4 21571 B13R1.3040 CNS(=O)(=O)c1cccc(c1)OC 270084a_100102657272_100000750905 [0,3,0,0,0,0|1,0,0]=4 21572 B13R1.3040 CNS(=O)(=O)c1cccc(c1)OC 274078a_100102657272_100000750905 [0,3,0,0,0,0|1,0,0]=4 21573 B13R1.3040 CNS(=O)(=O)c1cccc(c1)OC 40a_100102657272_200010300420 [0,3,0,0,0,0|1,0,0]=4 21574 B13R1.3040 CNS(=O)(=O)c1cccc(c1)SC 62a_100000165148_200000210301 [0,3,0,0,0,0|1,0,0]=4 21575 B13R1.3040 CNS(=O)(=O)c1cccc(c1)SC 62a_200000210301_100000165148 [0,3,0,0,0,0|1,0,0]=4 21576 B13R1.3040 CNS(=O)(=O)c1cccc(c1)S[13CH3] 62a_100000165148_200025704644 [0,3,0,0,0,0|1,0,0]=4 21577 B13R1.3040 CNS(=O)(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000165148 [0,3,0,0,0,0|1,0,0]=4 21578 B13R1.3040 CNc1cccc(c1)S(=O)(=O)NC 34a_100000738320_200000210301 [0,3,0,0,0,0|1,0,0]=4 21579 B13R1.3040 CNc1cccc(c1)S(=O)(=O)NC 7a_100000738320_200000210301 [0,3,0,0,0,0|1,0,0]=4 21580 B13R1.2 CCN(CC=O)c1cccc(c1)C 2230a_100000182157_200015260668 [0,3,0,0,0,0|1,0,0]=4 21581 B13R1.2 CCN(CC=O)c1cccc(c1)C 269982a_100000182157_200015260668 [0,3,0,0,0,0|1,0,0]=4 21582 B13R1.2 CCN(CC=O)c1cccc(c1)C 34a_100000182157_200009817547 [0,3,0,0,0,0|1,0,0]=4 21583 B13R1.2 CCN(CC=O)c1cccc(c1)C 7a_100000182157_200015260668 [0,3,0,0,0,0|1,0,0]=4 21584 B13R1.12 C#CCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000184674 [0,3,0,0,0,0|1,0,0]=4 21585 B13R1.12 C#CCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000184674 [0,3,0,0,0,0|0,0,0]=3 21586 B13R1.12 C#CCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000184674 [0,3,0,0,0,0|1,0,0]=4 21587 B13R1.12 C#CCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000184674 [0,3,0,0,0,0|1,0,0]=4 21588 B13R1.12 C#CCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000184674 [0,3,0,0,0,0|1,0,0]=4 21589 B13R1.12 C#CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000184674 [0,3,0,0,0,0|1,0,0]=4 21590 B13R1.12 C#CCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000184674 [0,3,0,0,0,0|1,0,0]=4 21591 B13R1.12 C#CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000184674 [0,3,0,0,0,0|0,0,0]=3 21592 B13R1.12 C#CCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000184674 [0,3,0,0,0,0|1,0,0]=4 21593 B13R1.12 C#CCC(=O)c1cccc(c1C)F 1458a_100011218272_100000184674 [0,3,0,0,0,0|1,0,0]=4 21594 B13R1.12 C#CCC(=O)c1cccc(c1C)I 1458a_100000751865_100000184674 [0,3,0,0,0,0|1,0,0]=4 21595 B13R1.12 C#CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000184674 [0,3,0,0,0,0|1,0,0]=4 21596 B13R1.12 C#CCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000184674 [0,3,0,0,0,0|1,0,0]=4 21597 B13R1.12 C#CCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000184674 [0,3,0,0,0,0|0,0,0]=3 21598 B13R1.12 C#CCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000184674 [0,3,0,0,0,0|1,0,0]=4 21599 B13R1.12 C#CCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000184674 [0,3,0,0,0,0|1,0,0]=4 21600 B13R1.12 C#CCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000184674 [0,3,0,0,0,0|1,0,0]=4 21601 B13R1.12 C#CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000184674 [0,3,0,0,0,0|1,0,0]=4 21602 B13R1.12 C#CCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000184674 [0,3,0,0,0,0|1,0,0]=4 21603 B13R1.12 C#CCC(=O)c1cccc(c1F)C 1458a_100000766181_100000184674 [0,3,0,0,0,0|0,0,0]=3 21604 B13R1.12 C#CCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000184674 [0,3,0,0,0,0|1,0,0]=4 21605 B13R1.12 C#CCC(=O)c1cccc(c1F)F 1458a_100000748134_100000184674 [0,3,0,0,0,0|1,0,0]=4 21606 B13R1.12 C#CCC(=O)c1cccc(c1F)I 1458a_100010185205_100000184674 [0,3,0,0,0,0|1,0,0]=4 21607 B13R1.12 C#CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000184674 [0,3,0,0,0,0|1,0,0]=4 21608 B13R1.12 C#CCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000184674 [0,3,0,0,0,0|1,0,0]=4 21609 B13R1.12 C#CCC(=O)c1cccc(c1I)C 1458a_100000739377_100000184674 [0,3,0,0,0,0|0,0,0]=3 21610 B13R1.12 C#CCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000184674 [0,3,0,0,0,0|1,0,0]=4 21611 B13R1.12 C#CCC(=O)c1cccc(c1I)F 1458a_100000690930_100000184674 [0,3,0,0,0,0|1,0,0]=4 21612 B13R1.12 C#CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000184674 [0,3,0,0,0,0|1,0,0]=4 21613 B13R1.12 C#CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000184674 [0,3,0,0,0,0|1,0,0]=4 21614 B13R1.12 C#CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000184674 [0,3,0,0,0,0|0,0,0]=3 21615 B13R1.12 C#CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000184674 [0,3,0,0,0,0|1,0,0]=4 21616 B13R1.12 C#CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000184674 [0,3,0,0,0,0|1,0,0]=4 21617 B13R1.12 C#CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000184674 [0,3,0,0,0,0|1,0,0]=4 21618 B13R1.12 C=CCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210623 [0,3,0,0,0,0|1,0,0]=4 21619 B13R1.12 C=CCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210623 [0,3,0,0,0,0|0,0,0]=3 21620 B13R1.12 C=CCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210623 [0,3,0,0,0,0|1,0,0]=4 21621 B13R1.12 C=CCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210623 [0,3,0,0,0,0|1,0,0]=4 21622 B13R1.12 C=CCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210623 [0,3,0,0,0,0|1,0,0]=4 21623 B13R1.12 C=CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210623 [0,3,0,0,0,0|1,0,0]=4 21624 B13R1.12 C=CCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210623 [0,3,0,0,0,0|1,0,0]=4 21625 B13R1.12 C=CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210623 [0,3,0,0,0,0|0,0,0]=3 21626 B13R1.12 C=CCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210623 [0,3,0,0,0,0|1,0,0]=4 21627 B13R1.12 C=CCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210623 [0,3,0,0,0,0|1,0,0]=4 21628 B13R1.12 C=CCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210623 [0,3,0,0,0,0|1,0,0]=4 21629 B13R1.12 C=CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210623 [0,3,0,0,0,0|1,0,0]=4 21630 B13R1.12 C=CCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210623 [0,3,0,0,0,0|1,0,0]=4 21631 B13R1.12 C=CCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210623 [0,3,0,0,0,0|0,0,0]=3 21632 B13R1.12 C=CCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210623 [0,3,0,0,0,0|1,0,0]=4 21633 B13R1.12 C=CCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210623 [0,3,0,0,0,0|1,0,0]=4 21634 B13R1.12 C=CCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210623 [0,3,0,0,0,0|1,0,0]=4 21635 B13R1.12 C=CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210623 [0,3,0,0,0,0|1,0,0]=4 21636 B13R1.12 C=CCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210623 [0,3,0,0,0,0|1,0,0]=4 21637 B13R1.12 C=CCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210623 [0,3,0,0,0,0|0,0,0]=3 21638 B13R1.12 C=CCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210623 [0,3,0,0,0,0|1,0,0]=4 21639 B13R1.12 C=CCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210623 [0,3,0,0,0,0|1,0,0]=4 21640 B13R1.12 C=CCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210623 [0,3,0,0,0,0|1,0,0]=4 21641 B13R1.12 C=CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210623 [0,3,0,0,0,0|1,0,0]=4 21642 B13R1.12 C=CCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210623 [0,3,0,0,0,0|1,0,0]=4 21643 B13R1.12 C=CCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210623 [0,3,0,0,0,0|0,0,0]=3 21644 B13R1.12 C=CCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210623 [0,3,0,0,0,0|1,0,0]=4 21645 B13R1.12 C=CCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210623 [0,3,0,0,0,0|1,0,0]=4 21646 B13R1.12 C=CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210623 [0,3,0,0,0,0|1,0,0]=4 21647 B13R1.12 C=CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210623 [0,3,0,0,0,0|1,0,0]=4 21648 B13R1.12 C=CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210623 [0,3,0,0,0,0|0,0,0]=3 21649 B13R1.12 C=CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210623 [0,3,0,0,0,0|1,0,0]=4 21650 B13R1.12 C=CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210623 [0,3,0,0,0,0|1,0,0]=4 21651 B13R1.12 C=CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210623 [0,3,0,0,0,0|1,0,0]=4 21652 B13R1.12 CCCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210303 [0,3,0,0,0,0|1,0,0]=4 21653 B13R1.12 CCCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210303 [0,3,0,0,0,0|0,0,0]=3 21654 B13R1.12 CCCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210303 [0,3,0,0,0,0|1,0,0]=4 21655 B13R1.12 CCCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210303 [0,3,0,0,0,0|1,0,0]=4 21656 B13R1.12 CCCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210303 [0,3,0,0,0,0|1,0,0]=4 21657 B13R1.12 CCCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210303 [0,3,0,0,0,0|1,0,0]=4 21658 B13R1.12 CCCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210303 [0,3,0,0,0,0|1,0,0]=4 21659 B13R1.12 CCCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210303 [0,3,0,0,0,0|0,0,0]=3 21660 B13R1.12 CCCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210303 [0,3,0,0,0,0|1,0,0]=4 21661 B13R1.12 CCCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210303 [0,3,0,0,0,0|1,0,0]=4 21662 B13R1.12 CCCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210303 [0,3,0,0,0,0|1,0,0]=4 21663 B13R1.12 CCCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210303 [0,3,0,0,0,0|1,0,0]=4 21664 B13R1.12 CCCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210303 [0,3,0,0,0,0|1,0,0]=4 21665 B13R1.12 CCCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210303 [0,3,0,0,0,0|0,0,0]=3 21666 B13R1.12 CCCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210303 [0,3,0,0,0,0|1,0,0]=4 21667 B13R1.12 CCCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210303 [0,3,0,0,0,0|1,0,0]=4 21668 B13R1.12 CCCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210303 [0,3,0,0,0,0|1,0,0]=4 21669 B13R1.12 CCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210303 [0,3,0,0,0,0|1,0,0]=4 21670 B13R1.12 CCCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210303 [0,3,0,0,0,0|1,0,0]=4 21671 B13R1.12 CCCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210303 [0,3,0,0,0,0|0,0,0]=3 21672 B13R1.12 CCCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210303 [0,3,0,0,0,0|1,0,0]=4 21673 B13R1.12 CCCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210303 [0,3,0,0,0,0|1,0,0]=4 21674 B13R1.12 CCCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210303 [0,3,0,0,0,0|1,0,0]=4 21675 B13R1.12 CCCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210303 [0,3,0,0,0,0|1,0,0]=4 21676 B13R1.12 CCCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210303 [0,3,0,0,0,0|1,0,0]=4 21677 B13R1.12 CCCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210303 [0,3,0,0,0,0|0,0,0]=3 21678 B13R1.12 CCCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210303 [0,3,0,0,0,0|1,0,0]=4 21679 B13R1.12 CCCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210303 [0,3,0,0,0,0|1,0,0]=4 21680 B13R1.12 CCCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210303 [0,3,0,0,0,0|1,0,0]=4 21681 B13R1.12 CCCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210303 [0,3,0,0,0,0|1,0,0]=4 21682 B13R1.12 CCCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210303 [0,3,0,0,0,0|0,0,0]=3 21683 B13R1.12 CCCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210303 [0,3,0,0,0,0|1,0,0]=4 21684 B13R1.12 CCCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210303 [0,3,0,0,0,0|1,0,0]=4 21685 B13R1.12 CCCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210303 [0,3,0,0,0,0|1,0,0]=4 21686 B13R1.12 CCNC(=O)c1cccc(c1Br)Br 11a_100015525214_100012360534 [0,3,0,0,0,0|1,0,0]=4 21687 B13R1.12 CCNC(=O)c1cccc(c1Br)Br 240690a_100015525214_100012360534 [0,3,0,0,0,0|1,0,0]=4 21688 B13R1.12 CCNC(=O)c1cccc(c1Br)Br 527a_100015525214_100012360534 [0,3,0,0,0,0|1,0,0]=4 21689 B13R1.12 CCNC(=O)c1cccc(c1Br)C 11a_100015525214_100000692419 [0,3,0,0,0,0|0,0,0]=3 21690 B13R1.12 CCNC(=O)c1cccc(c1Br)C 240690a_100015525214_100000692419 [0,3,0,0,0,0|0,0,0]=3 21691 B13R1.12 CCNC(=O)c1cccc(c1Br)C 527a_100015525214_100000692419 [0,3,0,0,0,0|0,0,0]=3 21692 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl 11a_100015525214_100012339722 [0,3,0,0,0,0|1,0,0]=4 21693 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl 240690a_100015525214_100012339722 [0,3,0,0,0,0|1,0,0]=4 21694 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl 527a_100015525214_100012339722 [0,3,0,0,0,0|1,0,0]=4 21695 B13R1.12 CCNC(=O)c1cccc(c1Br)F 11a_100015525214_100011217547 [0,3,0,0,0,0|1,0,0]=4 21696 B13R1.12 CCNC(=O)c1cccc(c1Br)F 240690a_100015525214_100011217547 [0,3,0,0,0,0|1,0,0]=4 21697 B13R1.12 CCNC(=O)c1cccc(c1Br)F 527a_100015525214_100011217547 [0,3,0,0,0,0|1,0,0]=4 21698 B13R1.12 CCNC(=O)c1cccc(c1Br)I 11a_100015525214_100010232522 [0,3,0,0,0,0|1,0,0]=4 21699 B13R1.12 CCNC(=O)c1cccc(c1Br)I 240690a_100015525214_100010232522 [0,3,0,0,0,0|1,0,0]=4 21700 B13R1.12 CCNC(=O)c1cccc(c1Br)I 527a_100015525214_100010232522 [0,3,0,0,0,0|1,0,0]=4 21701 B13R1.12 CCNC(=O)c1cccc(c1Br)O 240690a_100015525214_100010230362 [0,3,0,0,0,0|1,0,0]=4 21702 B13R1.12 CCNC(=O)c1cccc(c1Br)O 527a_100015525214_100010230362 [0,3,0,0,0,0|1,0,0]=4 21703 B13R1.12 CCNC(=O)c1cccc(c1C)Br 11a_100015525214_100000760464 [0,3,0,0,0,0|1,0,0]=4 21704 B13R1.12 CCNC(=O)c1cccc(c1C)Br 240690a_100015525214_100000760464 [0,3,0,0,0,0|1,0,0]=4 21705 B13R1.12 CCNC(=O)c1cccc(c1C)Br 527a_100015525214_100000760464 [0,3,0,0,0,0|1,0,0]=4 21706 B13R1.12 CCNC(=O)c1cccc(c1C)C 11a_100015525214_100000183679 [0,3,0,0,0,0|0,0,0]=3 21707 B13R1.12 CCNC(=O)c1cccc(c1C)C 240690a_100015525214_100000183679 [0,3,0,0,0,0|0,0,0]=3 21708 B13R1.12 CCNC(=O)c1cccc(c1C)C 527a_100015525214_100000183679 [0,3,0,0,0,0|0,0,0]=3 21709 B13R1.12 CCNC(=O)c1cccc(c1C)Cl 11a_100015525214_100000690184 [0,3,0,0,0,0|1,0,0]=4 21710 B13R1.12 CCNC(=O)c1cccc(c1C)Cl 240690a_100015525214_100000690184 [0,3,0,0,0,0|1,0,0]=4 21711 B13R1.12 CCNC(=O)c1cccc(c1C)Cl 527a_100015525214_100000690184 [0,3,0,0,0,0|1,0,0]=4 21712 B13R1.12 CCNC(=O)c1cccc(c1C)F 11a_100015525214_100011218272 [0,3,0,0,0,0|1,0,0]=4 21713 B13R1.12 CCNC(=O)c1cccc(c1C)F 240690a_100015525214_100011218272 [0,3,0,0,0,0|1,0,0]=4 21714 B13R1.12 CCNC(=O)c1cccc(c1C)F 527a_100015525214_100011218272 [0,3,0,0,0,0|1,0,0]=4 21715 B13R1.12 CCNC(=O)c1cccc(c1C)I 11a_100015525214_100000751865 [0,3,0,0,0,0|1,0,0]=4 21716 B13R1.12 CCNC(=O)c1cccc(c1C)I 240690a_100015525214_100000751865 [0,3,0,0,0,0|1,0,0]=4 21717 B13R1.12 CCNC(=O)c1cccc(c1C)I 527a_100015525214_100000751865 [0,3,0,0,0,0|1,0,0]=4 21718 B13R1.12 CCNC(=O)c1cccc(c1C)O 240690a_100015525214_100000766327 [0,3,0,0,0,0|1,0,0]=4 21719 B13R1.12 CCNC(=O)c1cccc(c1C)O 527a_100015525214_100000766327 [0,3,0,0,0,0|1,0,0]=4 21720 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br 11a_100015525214_100000760540 [0,3,0,0,0,0|1,0,0]=4 21721 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br 240690a_100015525214_100000760540 [0,3,0,0,0,0|1,0,0]=4 21722 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br 527a_100015525214_100000760540 [0,3,0,0,0,0|1,0,0]=4 21723 B13R1.12 CCNC(=O)c1cccc(c1Cl)C 11a_100015525214_100000693142 [0,3,0,0,0,0|0,0,0]=3 21724 B13R1.12 CCNC(=O)c1cccc(c1Cl)C 240690a_100015525214_100000693142 [0,3,0,0,0,0|0,0,0]=3 21725 B13R1.12 CCNC(=O)c1cccc(c1Cl)C 527a_100015525214_100000693142 [0,3,0,0,0,0|0,0,0]=3 21726 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl 11a_100015525214_100000183631 [0,3,0,0,0,0|1,0,0]=4 21727 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl 240690a_100015525214_100000183631 [0,3,0,0,0,0|1,0,0]=4 21728 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl 527a_100015525214_100000183631 [0,3,0,0,0,0|1,0,0]=4 21729 B13R1.12 CCNC(=O)c1cccc(c1Cl)F 11a_100015525214_100000759904 [0,3,0,0,0,0|1,0,0]=4 21730 B13R1.12 CCNC(=O)c1cccc(c1Cl)F 240690a_100015525214_100000759904 [0,3,0,0,0,0|1,0,0]=4 21731 B13R1.12 CCNC(=O)c1cccc(c1Cl)F 527a_100015525214_100000759904 [0,3,0,0,0,0|1,0,0]=4 21732 B13R1.12 CCNC(=O)c1cccc(c1Cl)I 11a_100015525214_100010176783 [0,3,0,0,0,0|1,0,0]=4 21733 B13R1.12 CCNC(=O)c1cccc(c1Cl)I 240690a_100015525214_100010176783 [0,3,0,0,0,0|1,0,0]=4 21734 B13R1.12 CCNC(=O)c1cccc(c1Cl)I 527a_100015525214_100010176783 [0,3,0,0,0,0|1,0,0]=4 21735 B13R1.12 CCNC(=O)c1cccc(c1Cl)O 240690a_100015525214_100000092362 [0,3,0,0,0,0|1,0,0]=4 21736 B13R1.12 CCNC(=O)c1cccc(c1Cl)O 527a_100015525214_100000092362 [0,3,0,0,0,0|1,0,0]=4 21737 B13R1.12 CCNC(=O)c1cccc(c1F)Br 11a_100015525214_100000756403 [0,3,0,0,0,0|1,0,0]=4 21738 B13R1.12 CCNC(=O)c1cccc(c1F)Br 240690a_100015525214_100000756403 [0,3,0,0,0,0|1,0,0]=4 21739 B13R1.12 CCNC(=O)c1cccc(c1F)Br 527a_100015525214_100000756403 [0,3,0,0,0,0|1,0,0]=4 21740 B13R1.12 CCNC(=O)c1cccc(c1F)C 11a_100015525214_100000766181 [0,3,0,0,0,0|0,0,0]=3 21741 B13R1.12 CCNC(=O)c1cccc(c1F)C 240690a_100015525214_100000766181 [0,3,0,0,0,0|0,0,0]=3 21742 B13R1.12 CCNC(=O)c1cccc(c1F)C 527a_100015525214_100000766181 [0,3,0,0,0,0|0,0,0]=3 21743 B13R1.12 CCNC(=O)c1cccc(c1F)Cl 11a_100015525214_100000688816 [0,3,0,0,0,0|1,0,0]=4 21744 B13R1.12 CCNC(=O)c1cccc(c1F)Cl 240690a_100015525214_100000688816 [0,3,0,0,0,0|1,0,0]=4 21745 B13R1.12 CCNC(=O)c1cccc(c1F)Cl 527a_100015525214_100000688816 [0,3,0,0,0,0|1,0,0]=4 21746 B13R1.12 CCNC(=O)c1cccc(c1F)F 11a_100015525214_100000748134 [0,3,0,0,0,0|1,0,0]=4 21747 B13R1.12 CCNC(=O)c1cccc(c1F)F 240690a_100015525214_100000748134 [0,3,0,0,0,0|1,0,0]=4 21748 B13R1.12 CCNC(=O)c1cccc(c1F)F 527a_100015525214_100000748134 [0,3,0,0,0,0|1,0,0]=4 21749 B13R1.12 CCNC(=O)c1cccc(c1F)I 11a_100015525214_100010185205 [0,3,0,0,0,0|1,0,0]=4 21750 B13R1.12 CCNC(=O)c1cccc(c1F)I 240690a_100015525214_100010185205 [0,3,0,0,0,0|1,0,0]=4 21751 B13R1.12 CCNC(=O)c1cccc(c1F)I 527a_100015525214_100010185205 [0,3,0,0,0,0|1,0,0]=4 21752 B13R1.12 CCNC(=O)c1cccc(c1F)O 240690a_100015525214_100000037433 [0,3,0,0,0,0|1,0,0]=4 21753 B13R1.12 CCNC(=O)c1cccc(c1F)O 527a_100015525214_100000037433 [0,3,0,0,0,0|1,0,0]=4 21754 B13R1.12 CCNC(=O)c1cccc(c1I)Br 11a_100015525214_100000688019 [0,3,0,0,0,0|1,0,0]=4 21755 B13R1.12 CCNC(=O)c1cccc(c1I)Br 240690a_100015525214_100000688019 [0,3,0,0,0,0|1,0,0]=4 21756 B13R1.12 CCNC(=O)c1cccc(c1I)Br 527a_100015525214_100000688019 [0,3,0,0,0,0|1,0,0]=4 21757 B13R1.12 CCNC(=O)c1cccc(c1I)C 11a_100015525214_100000739377 [0,3,0,0,0,0|0,0,0]=3 21758 B13R1.12 CCNC(=O)c1cccc(c1I)C 240690a_100015525214_100000739377 [0,3,0,0,0,0|0,0,0]=3 21759 B13R1.12 CCNC(=O)c1cccc(c1I)C 527a_100015525214_100000739377 [0,3,0,0,0,0|0,0,0]=3 21760 B13R1.12 CCNC(=O)c1cccc(c1I)Cl 11a_100015525214_100010176784 [0,3,0,0,0,0|1,0,0]=4 21761 B13R1.12 CCNC(=O)c1cccc(c1I)Cl 240690a_100015525214_100010176784 [0,3,0,0,0,0|1,0,0]=4 21762 B13R1.12 CCNC(=O)c1cccc(c1I)Cl 527a_100015525214_100010176784 [0,3,0,0,0,0|1,0,0]=4 21763 B13R1.12 CCNC(=O)c1cccc(c1I)F 11a_100015525214_100000690930 [0,3,0,0,0,0|1,0,0]=4 21764 B13R1.12 CCNC(=O)c1cccc(c1I)F 240690a_100015525214_100000690930 [0,3,0,0,0,0|1,0,0]=4 21765 B13R1.12 CCNC(=O)c1cccc(c1I)F 527a_100015525214_100000690930 [0,3,0,0,0,0|1,0,0]=4 21766 B13R1.12 CCNC(=O)c1cccc(c1I)O 527a_100015525214_100010084636 [0,3,0,0,0,0|1,0,0]=4 21767 B13R1.12 CCNC(=O)c1cccc(c1O)Br 240690a_100015525214_100000752940 [0,3,0,0,0,0|1,0,0]=4 21768 B13R1.12 CCNC(=O)c1cccc(c1O)Br 527a_100015525214_100000752940 [0,3,0,0,0,0|1,0,0]=4 21769 B13R1.12 CCNC(=O)c1cccc(c1O)C 240690a_100015525214_100000183896 [0,3,0,0,0,0|0,0,0]=3 21770 B13R1.12 CCNC(=O)c1cccc(c1O)C 527a_100015525214_100000183896 [0,3,0,0,0,0|0,0,0]=3 21771 B13R1.12 CCNC(=O)c1cccc(c1O)Cl 240690a_100015525214_100000742801 [0,3,0,0,0,0|1,0,0]=4 21772 B13R1.12 CCNC(=O)c1cccc(c1O)Cl 527a_100015525214_100000742801 [0,3,0,0,0,0|1,0,0]=4 21773 B13R1.12 CCNC(=O)c1cccc(c1O)F 240690a_100015525214_100011217230 [0,3,0,0,0,0|1,0,0]=4 21774 B13R1.12 CCNC(=O)c1cccc(c1O)F 527a_100015525214_100011217230 [0,3,0,0,0,0|1,0,0]=4 21775 B13R1.12 CCNC(=O)c1cccc(c1O)O 527a_100015525214_100000690420 [0,3,0,0,0,0|1,0,0]=4 21776 B13R1.12 CCOC(=O)c1cccc(c1C)O 271570a_203496583355_100012298221 [0,3,0,0,0,0|1,0,0]=4 21777 B13R1.12 CCOC(=O)c1cccc(c1F)O 271570a_203496583355_100012350793 [0,3,0,0,0,0|1,0,0]=4 21778 B13R1.12 CCOC(=O)c1cccc(c1N)O 271570a_203496583355_200011356557 [0,3,0,0,0,0|1,0,0]=4 21779 B13R1.12 CCOC(=O)c1cccc(c1O)C 271570a_203496583355_200012184857 [0,3,0,0,0,0|0,0,0]=3 21780 B13R1.12 CCOC(=O)c1cccc(c1O)F 271570a_203496583355_100012357632 [0,3,0,0,0,0|1,0,0]=4 21781 B13R1.12 CNCC(=O)c1cccc(c1C)I 34a_100102657272_100160470822 [0,3,0,0,0,0|1,0,0]=4 21782 B13R1.12 CNCC(=O)c1cccc(c1C)I 7a_106832991635_100160470822 [0,3,0,0,0,0|1,0,0]=4 21783 B13R1.12 CNCC(=O)c1cccc(c1F)Br 2230a_106832991635_100012356374 [0,3,0,0,0,0|1,0,0]=4 21784 B13R1.12 CNCC(=O)c1cccc(c1F)Br 34a_100102657272_100012356374 [0,3,0,0,0,0|1,0,0]=4 21785 B13R1.12 CNCC(=O)c1cccc(c1F)Br 7a_106832991635_100012356374 [0,3,0,0,0,0|1,0,0]=4 21786 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 2230a_106832991635_200012351890 [0,3,0,0,0,0|1,0,0]=4 21787 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 34a_100102657272_200012351890 [0,3,0,0,0,0|1,0,0]=4 21788 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 7a_106832991635_200012351890 [0,3,0,0,0,0|1,0,0]=4 21789 B13R1.12 CNNC(=O)c1cccc(c1Br)Br 22a_100016993582_100012360534 [0,3,0,0,0,0|1,0,0]=4 21790 B13R1.12 CNNC(=O)c1cccc(c1Br)C 22a_100016993582_100000692419 [0,3,0,0,0,0|0,0,0]=3 21791 B13R1.12 CNNC(=O)c1cccc(c1Br)Cl 22a_100016993582_100012339722 [0,3,0,0,0,0|1,0,0]=4 21792 B13R1.12 CNNC(=O)c1cccc(c1Br)F 22a_100016993582_100011217547 [0,3,0,0,0,0|1,0,0]=4 21793 B13R1.12 CNNC(=O)c1cccc(c1Br)I 22a_100016993582_100010232522 [0,3,0,0,0,0|1,0,0]=4 21794 B13R1.12 CNNC(=O)c1cccc(c1Br)O 22a_100016993582_100010230362 [0,3,0,0,0,0|1,0,0]=4 21795 B13R1.12 CNNC(=O)c1cccc(c1C)Br 22a_100016993582_100000760464 [0,3,0,0,0,0|1,0,0]=4 21796 B13R1.12 CNNC(=O)c1cccc(c1C)C 22a_100016993582_100000183679 [0,3,0,0,0,0|0,0,0]=3 21797 B13R1.12 CNNC(=O)c1cccc(c1C)Cl 22a_100016993582_100000690184 [0,3,0,0,0,0|1,0,0]=4 21798 B13R1.12 CNNC(=O)c1cccc(c1C)F 22a_100016993582_100011218272 [0,3,0,0,0,0|1,0,0]=4 21799 B13R1.12 CNNC(=O)c1cccc(c1C)I 22a_100016993582_100000751865 [0,3,0,0,0,0|1,0,0]=4 21800 B13R1.12 CNNC(=O)c1cccc(c1C)O 22a_100016993582_100000766327 [0,3,0,0,0,0|1,0,0]=4 21801 B13R1.12 CNNC(=O)c1cccc(c1Cl)Br 22a_100016993582_100000760540 [0,3,0,0,0,0|1,0,0]=4 21802 B13R1.12 CNNC(=O)c1cccc(c1Cl)C 22a_100016993582_100000693142 [0,3,0,0,0,0|0,0,0]=3 21803 B13R1.12 CNNC(=O)c1cccc(c1Cl)Cl 22a_100016993582_100000183631 [0,3,0,0,0,0|1,0,0]=4 21804 B13R1.12 CNNC(=O)c1cccc(c1Cl)F 22a_100016993582_100000759904 [0,3,0,0,0,0|1,0,0]=4 21805 B13R1.12 CNNC(=O)c1cccc(c1Cl)I 22a_100016993582_100010176783 [0,3,0,0,0,0|1,0,0]=4 21806 B13R1.12 CNNC(=O)c1cccc(c1Cl)O 22a_100016993582_100000092362 [0,3,0,0,0,0|1,0,0]=4 21807 B13R1.12 CNNC(=O)c1cccc(c1F)Br 22a_100016993582_100000756403 [0,3,0,0,0,0|1,0,0]=4 21808 B13R1.12 CNNC(=O)c1cccc(c1F)C 22a_100016993582_100000766181 [0,3,0,0,0,0|0,0,0]=3 21809 B13R1.12 CNNC(=O)c1cccc(c1F)Cl 22a_100016993582_100000688816 [0,3,0,0,0,0|1,0,0]=4 21810 B13R1.12 CNNC(=O)c1cccc(c1F)F 22a_100016993582_100000748134 [0,3,0,0,0,0|1,0,0]=4 21811 B13R1.12 CNNC(=O)c1cccc(c1F)I 22a_100016993582_100010185205 [0,3,0,0,0,0|1,0,0]=4 21812 B13R1.12 CNNC(=O)c1cccc(c1F)O 22a_100016993582_100000037433 [0,3,0,0,0,0|1,0,0]=4 21813 B13R1.12 CNNC(=O)c1cccc(c1I)Br 22a_100016993582_100000688019 [0,3,0,0,0,0|1,0,0]=4 21814 B13R1.12 CNNC(=O)c1cccc(c1I)C 22a_100016993582_100000739377 [0,3,0,0,0,0|0,0,0]=3 21815 B13R1.12 CNNC(=O)c1cccc(c1I)Cl 22a_100016993582_100010176784 [0,3,0,0,0,0|1,0,0]=4 21816 B13R1.12 CNNC(=O)c1cccc(c1I)F 22a_100016993582_100000690930 [0,3,0,0,0,0|1,0,0]=4 21817 B13R1.12 CNNC(=O)c1cccc(c1I)O 22a_100016993582_100010084636 [0,3,0,0,0,0|1,0,0]=4 21818 B13R1.12 CNNC(=O)c1cccc(c1O)Br 22a_100016993582_100000752940 [0,3,0,0,0,0|1,0,0]=4 21819 B13R1.12 CNNC(=O)c1cccc(c1O)C 22a_100016993582_100000183896 [0,3,0,0,0,0|0,0,0]=3 21820 B13R1.12 CNNC(=O)c1cccc(c1O)Cl 22a_100016993582_100000742801 [0,3,0,0,0,0|1,0,0]=4 21821 B13R1.12 CNNC(=O)c1cccc(c1O)F 22a_100016993582_100011217230 [0,3,0,0,0,0|1,0,0]=4 21822 B13R1.12 CNNC(=O)c1cccc(c1O)O 22a_100016993582_100000690420 [0,3,0,0,0,0|1,0,0]=4 21823 B13R1.12 COCC(=O)c1cccc(c1C)I 34a_100138415774_100160470822 [0,3,0,0,0,0|1,0,0]=4 21824 B13R1.12 COCC(=O)c1cccc(c1F)Br 34a_100138415774_100012356374 [0,3,0,0,0,0|1,0,0]=4 21825 B13R1.12 COCC(=O)c1cccc(c1F)Cl 34a_100138415774_200012351890 [0,3,0,0,0,0|1,0,0]=4 21826 B13R1.12 CSCC(=O)c1cccc(c1C)I 62a_100160470822_200000210301 [0,3,0,0,0,0|1,0,0]=4 21827 B13R1.12 CSCC(=O)c1cccc(c1C)I 62a_200000210301_100160470822 [0,3,0,0,0,0|1,0,0]=4 21828 B13R1.12 CSCC(=O)c1cccc(c1F)Br 62a_100012356374_200000210301 [0,3,0,0,0,0|1,0,0]=4 21829 B13R1.12 CSCC(=O)c1cccc(c1F)Br 62a_200000210301_100012356374 [0,3,0,0,0,0|1,0,0]=4 21830 B13R1.12 CSCC(=O)c1cccc(c1F)Cl 62a_200000210301_200012351890 [0,3,0,0,0,0|1,0,0]=4 21831 B13R1.12 CSCC(=O)c1cccc(c1F)Cl 62a_200012351890_200000210301 [0,3,0,0,0,0|1,0,0]=4 21832 B13R1.12 Cc1c(cccc1C(=O)CC#N)Br 1458a_100000760464_100011214920 [0,3,0,0,0,0|1,0,0]=4 21833 B13R1.12 Cc1c(cccc1C(=O)CC#N)Cl 1458a_100000690184_100011214920 [0,3,0,0,0,0|1,0,0]=4 21834 B13R1.12 Cc1c(cccc1C(=O)CC#N)F 1458a_100011218272_100011214920 [0,3,0,0,0,0|1,0,0]=4 21835 B13R1.12 Cc1c(cccc1C(=O)CC#N)I 1458a_100000751865_100011214920 [0,3,0,0,0,0|1,0,0]=4 21836 B13R1.12 Cc1c(cccc1C(=O)CC#N)O 1458a_100000766327_100011214920 [0,3,0,0,0,0|1,0,0]=4 21837 B13R1.12 Cc1c(cccc1C(=O)CCF)Br 1458a_100000760464_100011217306 [0,3,0,0,0,0|1,0,0]=4 21838 B13R1.12 Cc1c(cccc1C(=O)CCF)Cl 1458a_100000690184_100011217306 [0,3,0,0,0,0|1,0,0]=4 21839 B13R1.12 Cc1c(cccc1C(=O)CCF)F 1458a_100011218272_100011217306 [0,3,0,0,0,0|1,0,0]=4 21840 B13R1.12 Cc1c(cccc1C(=O)CCF)I 1458a_100000751865_100011217306 [0,3,0,0,0,0|1,0,0]=4 21841 B13R1.12 Cc1c(cccc1C(=O)CCF)O 1458a_100000766327_100011217306 [0,3,0,0,0,0|1,0,0]=4 21842 B13R1.12 Cc1c(cccc1C(=O)CCO)Br 1458a_100000760464_100000211926 [0,3,0,0,0,0|1,0,0]=4 21843 B13R1.12 Cc1c(cccc1C(=O)CCO)Cl 1458a_100000690184_100000211926 [0,3,0,0,0,0|1,0,0]=4 21844 B13R1.12 Cc1c(cccc1C(=O)CCO)F 1458a_100011218272_100000211926 [0,3,0,0,0,0|1,0,0]=4 21845 B13R1.12 Cc1c(cccc1C(=O)CCO)I 1458a_100000751865_100000211926 [0,3,0,0,0,0|1,0,0]=4 21846 B13R1.12 Cc1c(cccc1C(=O)CCO)O 1458a_100000766327_100000211926 [0,3,0,0,0,0|1,0,0]=4 21847 B13R1.12 Cc1c(cccc1C(=O)CS[13CH3])I 62a_100160470822_200025704644 [0,3,0,0,0,0|1,0,0]=4 21848 B13R1.12 Cc1c(cccc1C(=O)CS[13CH3])I 62a_200025704644_100160470822 [0,3,0,0,0,0|1,0,0]=4 21849 B13R1.12 Cc1cccc(c1Br)C(=O)CC#N 1458a_100000692419_100011214920 [0,3,0,0,0,0|0,0,0]=3 21850 B13R1.12 Cc1cccc(c1Br)C(=O)CCF 1458a_100000692419_100011217306 [0,3,0,0,0,0|0,0,0]=3 21851 B13R1.12 Cc1cccc(c1Br)C(=O)CCO 1458a_100000692419_100000211926 [0,3,0,0,0,0|0,0,0]=3 21852 B13R1.12 Cc1cccc(c1C)C(=O)CC#N 1458a_100000183679_100011214920 [0,3,0,0,0,0|0,0,0]=3 21853 B13R1.12 Cc1cccc(c1C)C(=O)CCF 1458a_100000183679_100011217306 [0,3,0,0,0,0|0,0,0]=3 21854 B13R1.12 Cc1cccc(c1C)C(=O)CCO 1458a_100000183679_100000211926 [0,3,0,0,0,0|0,0,0]=3 21855 B13R1.12 Cc1cccc(c1Cl)C(=O)CC#N 1458a_100000693142_100011214920 [0,3,0,0,0,0|0,0,0]=3 21856 B13R1.12 Cc1cccc(c1Cl)C(=O)CCF 1458a_100000693142_100011217306 [0,3,0,0,0,0|0,0,0]=3 21857 B13R1.12 Cc1cccc(c1Cl)C(=O)CCO 1458a_100000693142_100000211926 [0,3,0,0,0,0|0,0,0]=3 21858 B13R1.12 Cc1cccc(c1F)C(=O)CC#N 1458a_100000766181_100011214920 [0,3,0,0,0,0|0,0,0]=3 21859 B13R1.12 Cc1cccc(c1F)C(=O)CCF 1458a_100000766181_100011217306 [0,3,0,0,0,0|0,0,0]=3 21860 B13R1.12 Cc1cccc(c1F)C(=O)CCO 1458a_100000766181_100000211926 [0,3,0,0,0,0|0,0,0]=3 21861 B13R1.12 Cc1cccc(c1I)C(=O)CC#N 1458a_100000739377_100011214920 [0,3,0,0,0,0|0,0,0]=3 21862 B13R1.12 Cc1cccc(c1I)C(=O)CCF 1458a_100000739377_100011217306 [0,3,0,0,0,0|0,0,0]=3 21863 B13R1.12 Cc1cccc(c1I)C(=O)CCO 1458a_100000739377_100000211926 [0,3,0,0,0,0|0,0,0]=3 21864 B13R1.12 Cc1cccc(c1O)C(=O)CC#N 1458a_100000183896_100011214920 [0,3,0,0,0,0|0,0,0]=3 21865 B13R1.12 Cc1cccc(c1O)C(=O)CCF 1458a_100000183896_100011217306 [0,3,0,0,0,0|0,0,0]=3 21866 B13R1.12 Cc1cccc(c1O)C(=O)CCO 1458a_100000183896_100000211926 [0,3,0,0,0,0|0,0,0]=3 21867 B13R1.12 N#CCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100011214920 [0,3,0,0,0,0|1,0,0]=4 21868 B13R1.12 N#CCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100011214920 [0,3,0,0,0,0|1,0,0]=4 21869 B13R1.12 N#CCC(=O)c1cccc(c1Br)F 1458a_100011217547_100011214920 [0,3,0,0,0,0|1,0,0]=4 21870 B13R1.12 N#CCC(=O)c1cccc(c1Br)I 1458a_100010232522_100011214920 [0,3,0,0,0,0|1,0,0]=4 21871 B13R1.12 N#CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100011214920 [0,3,0,0,0,0|1,0,0]=4 21872 B13R1.12 N#CCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100011214920 [0,3,0,0,0,0|1,0,0]=4 21873 B13R1.12 N#CCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100011214920 [0,3,0,0,0,0|1,0,0]=4 21874 B13R1.12 N#CCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100011214920 [0,3,0,0,0,0|1,0,0]=4 21875 B13R1.12 N#CCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100011214920 [0,3,0,0,0,0|1,0,0]=4 21876 B13R1.12 N#CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100011214920 [0,3,0,0,0,0|1,0,0]=4 21877 B13R1.12 N#CCC(=O)c1cccc(c1F)Br 1458a_100000756403_100011214920 [0,3,0,0,0,0|1,0,0]=4 21878 B13R1.12 N#CCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100011214920 [0,3,0,0,0,0|1,0,0]=4 21879 B13R1.12 N#CCC(=O)c1cccc(c1F)F 1458a_100000748134_100011214920 [0,3,0,0,0,0|1,0,0]=4 21880 B13R1.12 N#CCC(=O)c1cccc(c1F)I 1458a_100010185205_100011214920 [0,3,0,0,0,0|1,0,0]=4 21881 B13R1.12 N#CCC(=O)c1cccc(c1F)O 1458a_100000037433_100011214920 [0,3,0,0,0,0|1,0,0]=4 21882 B13R1.12 N#CCC(=O)c1cccc(c1I)Br 1458a_100000688019_100011214920 [0,3,0,0,0,0|1,0,0]=4 21883 B13R1.12 N#CCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100011214920 [0,3,0,0,0,0|1,0,0]=4 21884 B13R1.12 N#CCC(=O)c1cccc(c1I)F 1458a_100000690930_100011214920 [0,3,0,0,0,0|1,0,0]=4 21885 B13R1.12 N#CCC(=O)c1cccc(c1I)O 1458a_100010084636_100011214920 [0,3,0,0,0,0|1,0,0]=4 21886 B13R1.12 N#CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100011214920 [0,3,0,0,0,0|1,0,0]=4 21887 B13R1.12 N#CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100011214920 [0,3,0,0,0,0|1,0,0]=4 21888 B13R1.12 N#CCC(=O)c1cccc(c1O)F 1458a_100011217230_100011214920 [0,3,0,0,0,0|1,0,0]=4 21889 B13R1.12 N#CCC(=O)c1cccc(c1O)O 1458a_100000690420_100011214920 [0,3,0,0,0,0|1,0,0]=4 21890 B13R1.12 O=C(CCF)c1cccc(c1Br)Br 1458a_100012360534_100011217306 [0,3,0,0,0,0|1,0,0]=4 21891 B13R1.12 O=C(CCF)c1cccc(c1Br)Cl 1458a_100012339722_100011217306 [0,3,0,0,0,0|1,0,0]=4 21892 B13R1.12 O=C(CCF)c1cccc(c1Br)F 1458a_100011217547_100011217306 [0,3,0,0,0,0|1,0,0]=4 21893 B13R1.12 O=C(CCF)c1cccc(c1Br)I 1458a_100010232522_100011217306 [0,3,0,0,0,0|1,0,0]=4 21894 B13R1.12 O=C(CCF)c1cccc(c1Br)O 1458a_100010230362_100011217306 [0,3,0,0,0,0|1,0,0]=4 21895 B13R1.12 O=C(CCF)c1cccc(c1Cl)Br 1458a_100000760540_100011217306 [0,3,0,0,0,0|1,0,0]=4 21896 B13R1.12 O=C(CCF)c1cccc(c1Cl)Cl 1458a_100000183631_100011217306 [0,3,0,0,0,0|1,0,0]=4 21897 B13R1.12 O=C(CCF)c1cccc(c1Cl)F 1458a_100000759904_100011217306 [0,3,0,0,0,0|1,0,0]=4 21898 B13R1.12 O=C(CCF)c1cccc(c1Cl)I 1458a_100010176783_100011217306 [0,3,0,0,0,0|1,0,0]=4 21899 B13R1.12 O=C(CCF)c1cccc(c1Cl)O 1458a_100000092362_100011217306 [0,3,0,0,0,0|1,0,0]=4 21900 B13R1.12 O=C(CCF)c1cccc(c1F)Br 1458a_100000756403_100011217306 [0,3,0,0,0,0|1,0,0]=4 21901 B13R1.12 O=C(CCF)c1cccc(c1F)Cl 1458a_100000688816_100011217306 [0,3,0,0,0,0|1,0,0]=4 21902 B13R1.12 O=C(CCF)c1cccc(c1F)F 1458a_100000748134_100011217306 [0,3,0,0,0,0|1,0,0]=4 21903 B13R1.12 O=C(CCF)c1cccc(c1F)I 1458a_100010185205_100011217306 [0,3,0,0,0,0|1,0,0]=4 21904 B13R1.12 O=C(CCF)c1cccc(c1F)O 1458a_100000037433_100011217306 [0,3,0,0,0,0|1,0,0]=4 21905 B13R1.12 O=C(CCF)c1cccc(c1I)Br 1458a_100000688019_100011217306 [0,3,0,0,0,0|1,0,0]=4 21906 B13R1.12 O=C(CCF)c1cccc(c1I)Cl 1458a_100010176784_100011217306 [0,3,0,0,0,0|1,0,0]=4 21907 B13R1.12 O=C(CCF)c1cccc(c1I)F 1458a_100000690930_100011217306 [0,3,0,0,0,0|1,0,0]=4 21908 B13R1.12 O=C(CCF)c1cccc(c1I)O 1458a_100010084636_100011217306 [0,3,0,0,0,0|1,0,0]=4 21909 B13R1.12 O=C(CCF)c1cccc(c1O)Br 1458a_100000752940_100011217306 [0,3,0,0,0,0|1,0,0]=4 21910 B13R1.12 O=C(CCF)c1cccc(c1O)Cl 1458a_100000742801_100011217306 [0,3,0,0,0,0|1,0,0]=4 21911 B13R1.12 O=C(CCF)c1cccc(c1O)F 1458a_100011217230_100011217306 [0,3,0,0,0,0|1,0,0]=4 21912 B13R1.12 O=C(CCF)c1cccc(c1O)O 1458a_100000690420_100011217306 [0,3,0,0,0,0|1,0,0]=4 21913 B13R1.12 O=C(CCO)c1cccc(c1Br)Br 1458a_100012360534_100000211926 [0,3,0,0,0,0|1,0,0]=4 21914 B13R1.12 O=C(CCO)c1cccc(c1Br)Cl 1458a_100012339722_100000211926 [0,3,0,0,0,0|1,0,0]=4 21915 B13R1.12 O=C(CCO)c1cccc(c1Br)F 1458a_100011217547_100000211926 [0,3,0,0,0,0|1,0,0]=4 21916 B13R1.12 O=C(CCO)c1cccc(c1Br)I 1458a_100010232522_100000211926 [0,3,0,0,0,0|1,0,0]=4 21917 B13R1.12 O=C(CCO)c1cccc(c1Br)O 1458a_100010230362_100000211926 [0,3,0,0,0,0|1,0,0]=4 21918 B13R1.12 O=C(CCO)c1cccc(c1Cl)Br 1458a_100000760540_100000211926 [0,3,0,0,0,0|1,0,0]=4 21919 B13R1.12 O=C(CCO)c1cccc(c1Cl)Cl 1458a_100000183631_100000211926 [0,3,0,0,0,0|1,0,0]=4 21920 B13R1.12 O=C(CCO)c1cccc(c1Cl)F 1458a_100000759904_100000211926 [0,3,0,0,0,0|1,0,0]=4 21921 B13R1.12 O=C(CCO)c1cccc(c1Cl)I 1458a_100010176783_100000211926 [0,3,0,0,0,0|1,0,0]=4 21922 B13R1.12 O=C(CCO)c1cccc(c1Cl)O 1458a_100000092362_100000211926 [0,3,0,0,0,0|1,0,0]=4 21923 B13R1.12 O=C(CCO)c1cccc(c1F)Br 1458a_100000756403_100000211926 [0,3,0,0,0,0|1,0,0]=4 21924 B13R1.12 O=C(CCO)c1cccc(c1F)Cl 1458a_100000688816_100000211926 [0,3,0,0,0,0|1,0,0]=4 21925 B13R1.12 O=C(CCO)c1cccc(c1F)F 1458a_100000748134_100000211926 [0,3,0,0,0,0|1,0,0]=4 21926 B13R1.12 O=C(CCO)c1cccc(c1F)I 1458a_100010185205_100000211926 [0,3,0,0,0,0|1,0,0]=4 21927 B13R1.12 O=C(CCO)c1cccc(c1F)O 1458a_100000037433_100000211926 [0,3,0,0,0,0|1,0,0]=4 21928 B13R1.12 O=C(CCO)c1cccc(c1I)Br 1458a_100000688019_100000211926 [0,3,0,0,0,0|1,0,0]=4 21929 B13R1.12 O=C(CCO)c1cccc(c1I)Cl 1458a_100010176784_100000211926 [0,3,0,0,0,0|1,0,0]=4 21930 B13R1.12 O=C(CCO)c1cccc(c1I)F 1458a_100000690930_100000211926 [0,3,0,0,0,0|1,0,0]=4 21931 B13R1.12 O=C(CCO)c1cccc(c1I)O 1458a_100010084636_100000211926 [0,3,0,0,0,0|1,0,0]=4 21932 B13R1.12 O=C(CCO)c1cccc(c1O)Br 1458a_100000752940_100000211926 [0,3,0,0,0,0|1,0,0]=4 21933 B13R1.12 O=C(CCO)c1cccc(c1O)Cl 1458a_100000742801_100000211926 [0,3,0,0,0,0|1,0,0]=4 21934 B13R1.12 O=C(CCO)c1cccc(c1O)F 1458a_100011217230_100000211926 [0,3,0,0,0,0|1,0,0]=4 21935 B13R1.12 O=C(CCO)c1cccc(c1O)O 1458a_100000690420_100000211926 [0,3,0,0,0,0|1,0,0]=4 21936 B13R1.12 [13CH3]SCC(=O)c1cccc(c1F)Br 62a_100012356374_200025704644 [0,3,0,0,0,0|1,0,0]=4 21937 B13R1.12 [13CH3]SCC(=O)c1cccc(c1F)Br 62a_200025704644_100012356374 [0,3,0,0,0,0|1,0,0]=4 21938 B13R1.12 [13CH3]SCC(=O)c1cccc(c1F)Cl 62a_200012351890_200025704644 [0,3,0,0,0,0|1,0,0]=4 21939 B13R1.12 [13CH3]SCC(=O)c1cccc(c1F)Cl 62a_200025704644_200012351890 [0,3,0,0,0,0|1,0,0]=4 21940 B13R1.18 C#CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000753159 [0,3,0,0,0,0|1,0,0]=4 21941 B13R1.18 C#CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000753159 [0,3,0,0,0,0|0,0,0]=3 21942 B13R1.18 C#CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000753159 [0,3,0,0,0,0|1,0,0]=4 21943 B13R1.18 C#CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000753159 [0,3,0,0,0,0|1,0,0]=4 21944 B13R1.18 C#CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000753159 [0,3,0,0,0,0|1,0,0]=4 21945 B13R1.18 C#CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000753159 [0,3,0,0,0,0|1,0,0]=4 21946 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 11a_100000212058_100000210664 [0,3,0,0,0,0|1,0,0]=4 21947 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 1626a_100000212058_100000210664 [0,3,0,0,0,0|1,0,0]=4 21948 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 240690a_100000212058_100000210664 [0,3,0,0,0,0|1,0,0]=4 21949 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 527a_100000212058_100000210664 [0,3,0,0,0,0|1,0,0]=4 21950 B13R1.18 C#CCNC(=O)c1cccc(c1)C 11a_100000212058_100000189346 [0,3,0,0,0,0|0,0,0]=3 21951 B13R1.18 C#CCNC(=O)c1cccc(c1)C 1626a_100000212058_100000189346 [0,3,0,0,0,0|0,0,0]=3 21952 B13R1.18 C#CCNC(=O)c1cccc(c1)C 240690a_100000212058_100000189346 [0,3,0,0,0,0|0,0,0]=3 21953 B13R1.18 C#CCNC(=O)c1cccc(c1)C 527a_100000212058_100000189346 [0,3,0,0,0,0|0,0,0]=3 21954 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 11a_100000212058_100000210390 [0,3,0,0,0,0|1,0,0]=4 21955 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 1626a_100000212058_100000210390 [0,3,0,0,0,0|1,0,0]=4 21956 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 240690a_100000212058_100000210390 [0,3,0,0,0,0|1,0,0]=4 21957 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 527a_100000212058_100000210390 [0,3,0,0,0,0|1,0,0]=4 21958 B13R1.18 C#CCNC(=O)c1cccc(c1)F 11a_100000212058_100000210950 [0,3,0,0,0,0|1,0,0]=4 21959 B13R1.18 C#CCNC(=O)c1cccc(c1)F 1626a_100000212058_100000210950 [0,3,0,0,0,0|1,0,0]=4 21960 B13R1.18 C#CCNC(=O)c1cccc(c1)F 240690a_100000212058_100000210950 [0,3,0,0,0,0|1,0,0]=4 21961 B13R1.18 C#CCNC(=O)c1cccc(c1)F 527a_100000212058_100000210950 [0,3,0,0,0,0|1,0,0]=4 21962 B13R1.18 C#CCNC(=O)c1cccc(c1)I 11a_100000212058_100000184098 [0,3,0,0,0,0|1,0,0]=4 21963 B13R1.18 C#CCNC(=O)c1cccc(c1)I 1626a_100000212058_100000184098 [0,3,0,0,0,0|1,0,0]=4 21964 B13R1.18 C#CCNC(=O)c1cccc(c1)I 240690a_100000212058_100000184098 [0,3,0,0,0,0|1,0,0]=4 21965 B13R1.18 C#CCNC(=O)c1cccc(c1)I 527a_100000212058_100000184098 [0,3,0,0,0,0|1,0,0]=4 21966 B13R1.18 C#CCNC(=O)c1cccc(c1)O 240690a_100000212058_100000183914 [0,3,0,0,0,0|1,0,0]=4 21967 B13R1.18 C#CCNC(=O)c1cccc(c1)O 527a_100000212058_100000183914 [0,3,0,0,0,0|1,0,0]=4 21968 B13R1.18 C/C=C/CC(=O)c1cccc(c1)Br 1458a_100000210664_100102629194 [0,3,0,0,0,0|1,0,0]=4 21969 B13R1.18 C/C=C/CC(=O)c1cccc(c1)C 1458a_100000189346_100102629194 [0,3,0,0,0,0|0,0,0]=3 21970 B13R1.18 C/C=C/CC(=O)c1cccc(c1)Cl 1458a_100000210390_100102629194 [0,3,0,0,0,0|1,0,0]=4 21971 B13R1.18 C/C=C/CC(=O)c1cccc(c1)F 1458a_100000210950_100102629194 [0,3,0,0,0,0|1,0,0]=4 21972 B13R1.18 C/C=C/CC(=O)c1cccc(c1)I 1458a_100000184098_100102629194 [0,3,0,0,0,0|1,0,0]=4 21973 B13R1.18 C/C=C/CC(=O)c1cccc(c1)O 1458a_100000183914_100102629194 [0,3,0,0,0,0|1,0,0]=4 21974 B13R1.18 C=CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000754431 [0,3,0,0,0,0|1,0,0]=4 21975 B13R1.18 C=CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000754431 [0,3,0,0,0,0|0,0,0]=3 21976 B13R1.18 C=CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000754431 [0,3,0,0,0,0|1,0,0]=4 21977 B13R1.18 C=CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000754431 [0,3,0,0,0,0|1,0,0]=4 21978 B13R1.18 C=CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000754431 [0,3,0,0,0,0|1,0,0]=4 21979 B13R1.18 C=CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000754431 [0,3,0,0,0,0|1,0,0]=4 21980 B13R1.18 C=CCNC(=O)c1cccc(c1)Br 1626a_100020586998_100000210664 [0,3,0,0,0,0|1,0,0]=4 21981 B13R1.18 C=CCNC(=O)c1cccc(c1)Br 240690a_100020586998_100000210664 [0,3,0,0,0,0|1,0,0]=4 21982 B13R1.18 C=CCNC(=O)c1cccc(c1)Br 527a_100020586998_100000210664 [0,3,0,0,0,0|1,0,0]=4 21983 B13R1.18 C=CCNC(=O)c1cccc(c1)C 1626a_100020586998_100000189346 [0,3,0,0,0,0|0,0,0]=3 21984 B13R1.18 C=CCNC(=O)c1cccc(c1)C 240690a_100020586998_100000189346 [0,3,0,0,0,0|0,0,0]=3 21985 B13R1.18 C=CCNC(=O)c1cccc(c1)C 527a_100020586998_100000189346 [0,3,0,0,0,0|0,0,0]=3 21986 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl 1626a_100020586998_100000210390 [0,3,0,0,0,0|1,0,0]=4 21987 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl 240690a_100020586998_100000210390 [0,3,0,0,0,0|1,0,0]=4 21988 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl 527a_100020586998_100000210390 [0,3,0,0,0,0|1,0,0]=4 21989 B13R1.18 C=CCNC(=O)c1cccc(c1)F 1626a_100020586998_100000210950 [0,3,0,0,0,0|1,0,0]=4 21990 B13R1.18 C=CCNC(=O)c1cccc(c1)F 240690a_100020586998_100000210950 [0,3,0,0,0,0|1,0,0]=4 21991 B13R1.18 C=CCNC(=O)c1cccc(c1)F 527a_100020586998_100000210950 [0,3,0,0,0,0|1,0,0]=4 21992 B13R1.18 C=CCNC(=O)c1cccc(c1)I 1626a_100020586998_100000184098 [0,3,0,0,0,0|1,0,0]=4 21993 B13R1.18 C=CCNC(=O)c1cccc(c1)I 240690a_100020586998_100000184098 [0,3,0,0,0,0|1,0,0]=4 21994 B13R1.18 C=CCNC(=O)c1cccc(c1)I 527a_100020586998_100000184098 [0,3,0,0,0,0|1,0,0]=4 21995 B13R1.18 C=CCNC(=O)c1cccc(c1)O 240690a_100020586998_100000183914 [0,3,0,0,0,0|1,0,0]=4 21996 B13R1.18 C=CCNC(=O)c1cccc(c1)O 527a_100020586998_100000183914 [0,3,0,0,0,0|1,0,0]=4 21997 B13R1.18 CC#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000748600 [0,3,0,0,0,0|1,0,0]=4 21998 B13R1.18 CC#CCC(=O)c1cccc(c1)C 1458a_100000189346_100000748600 [0,3,0,0,0,0|0,0,0]=3 21999 B13R1.18 CC#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000748600 [0,3,0,0,0,0|1,0,0]=4 22000 B13R1.18 CC#CCC(=O)c1cccc(c1)F 1458a_100000210950_100000748600 [0,3,0,0,0,0|1,0,0]=4 22001 B13R1.18 CC#CCC(=O)c1cccc(c1)I 1458a_100000184098_100000748600 [0,3,0,0,0,0|1,0,0]=4 22002 B13R1.18 CC#CCC(=O)c1cccc(c1)O 1458a_100000183914_100000748600 [0,3,0,0,0,0|1,0,0]=4 22003 B13R1.18 CC=CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000070051 [0,3,0,0,0,0|1,0,0]=4 22004 B13R1.18 CC=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000070051 [0,3,0,0,0,0|0,0,0]=3 22005 B13R1.18 CC=CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000070051 [0,3,0,0,0,0|1,0,0]=4 22006 B13R1.18 CC=CCC(=O)c1cccc(c1)F 1458a_100000210950_100000070051 [0,3,0,0,0,0|1,0,0]=4 22007 B13R1.18 CC=CCC(=O)c1cccc(c1)I 1458a_100000184098_100000070051 [0,3,0,0,0,0|1,0,0]=4 22008 B13R1.18 CC=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000070051 [0,3,0,0,0,0|1,0,0]=4 22009 B13R1.18 CC=NNC(=O)c1cccc(c1)Br 4a_100000189783_200000210099 [0,3,0,0,0,0|1,0,0]=4 22010 B13R1.18 CC=NNC(=O)c1cccc(c1)C 4a_100000189845_200000210099 [0,3,0,0,0,0|0,0,0]=3 22011 B13R1.18 CC=NNC(=O)c1cccc(c1)Cl 4a_100000183659_200000210099 [0,3,0,0,0,0|1,0,0]=4 22012 B13R1.18 CC=NNC(=O)c1cccc(c1)F 4a_100000189798_200000210099 [0,3,0,0,0,0|1,0,0]=4 22013 B13R1.18 CC=NNC(=O)c1cccc(c1)I 4a_100000186306_200000210099 [0,3,0,0,0,0|1,0,0]=4 22014 B13R1.18 CC=NNC(=O)c1cccc(n1)C 4a_100000724394_200000210099 [0,3,0,0,0,0|1,0,0]=4 22015 B13R1.18 CCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210211 [0,3,0,0,0,0|1,0,0]=4 22016 B13R1.18 CCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210211 [0,3,0,0,0,0|0,0,0]=3 22017 B13R1.18 CCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210211 [0,3,0,0,0,0|1,0,0]=4 22018 B13R1.18 CCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210211 [0,3,0,0,0,0|1,0,0]=4 22019 B13R1.18 CCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210211 [0,3,0,0,0,0|1,0,0]=4 22020 B13R1.18 CCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210211 [0,3,0,0,0,0|1,0,0]=4 22021 B13R1.18 CCCNC(=O)c1cccc(c1)Br 11a_100020643023_100000210664 [0,3,0,0,0,0|1,0,0]=4 22022 B13R1.18 CCCNC(=O)c1cccc(c1)Br 1626a_100020643023_100000210664 [0,3,0,0,0,0|1,0,0]=4 22023 B13R1.18 CCCNC(=O)c1cccc(c1)Br 240690a_100020643023_100000210664 [0,3,0,0,0,0|1,0,0]=4 22024 B13R1.18 CCCNC(=O)c1cccc(c1)Br 527a_100020643023_100000210664 [0,3,0,0,0,0|1,0,0]=4 22025 B13R1.18 CCCNC(=O)c1cccc(c1)C 11a_100020643023_100000189346 [0,3,0,0,0,0|0,0,0]=3 22026 B13R1.18 CCCNC(=O)c1cccc(c1)C 1626a_100020643023_100000189346 [0,3,0,0,0,0|0,0,0]=3 22027 B13R1.18 CCCNC(=O)c1cccc(c1)C 240690a_100020643023_100000189346 [0,3,0,0,0,0|0,0,0]=3 22028 B13R1.18 CCCNC(=O)c1cccc(c1)C 527a_100020643023_100000189346 [0,3,0,0,0,0|0,0,0]=3 22029 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 11a_100020643023_100000210390 [0,3,0,0,0,0|1,0,0]=4 22030 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 1626a_100020643023_100000210390 [0,3,0,0,0,0|1,0,0]=4 22031 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 240690a_100020643023_100000210390 [0,3,0,0,0,0|1,0,0]=4 22032 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 527a_100020643023_100000210390 [0,3,0,0,0,0|1,0,0]=4 22033 B13R1.18 CCCNC(=O)c1cccc(c1)F 11a_100020643023_100000210950 [0,3,0,0,0,0|1,0,0]=4 22034 B13R1.18 CCCNC(=O)c1cccc(c1)F 1626a_100020643023_100000210950 [0,3,0,0,0,0|1,0,0]=4 22035 B13R1.18 CCCNC(=O)c1cccc(c1)F 240690a_100020643023_100000210950 [0,3,0,0,0,0|1,0,0]=4 22036 B13R1.18 CCCNC(=O)c1cccc(c1)F 527a_100020643023_100000210950 [0,3,0,0,0,0|1,0,0]=4 22037 B13R1.18 CCCNC(=O)c1cccc(c1)I 11a_100020643023_100000184098 [0,3,0,0,0,0|1,0,0]=4 22038 B13R1.18 CCCNC(=O)c1cccc(c1)I 1626a_100020643023_100000184098 [0,3,0,0,0,0|1,0,0]=4 22039 B13R1.18 CCCNC(=O)c1cccc(c1)I 240690a_100020643023_100000184098 [0,3,0,0,0,0|1,0,0]=4 22040 B13R1.18 CCCNC(=O)c1cccc(c1)I 527a_100020643023_100000184098 [0,3,0,0,0,0|1,0,0]=4 22041 B13R1.18 CCCNC(=O)c1cccc(c1)O 240690a_100020643023_100000183914 [0,3,0,0,0,0|1,0,0]=4 22042 B13R1.18 CCCNC(=O)c1cccc(c1)O 271570a_203496583355_200000152271 [0,3,0,0,0,0|1,0,0]=4 22043 B13R1.18 CCCNC(=O)c1cccc(c1)O 527a_100020643023_100000183914 [0,3,0,0,0,0|1,0,0]=4 22044 B13R1.18 CCNCC(=O)c1cccc(c1)Br 2230a_100015525214_100000212080 [0,3,0,0,0,0|1,0,0]=4 22045 B13R1.18 CCNCC(=O)c1cccc(c1)C 2230a_100015525214_100000739480 [0,3,0,0,0,0|0,0,0]=3 22046 B13R1.18 CCNCC(=O)c1cccc(c1)Cl 2230a_100015525214_100000211444 [0,3,0,0,0,0|1,0,0]=4 22047 B13R1.18 CCNCC(=O)c1cccc(c1)F 2230a_100015525214_100000215616 [0,3,0,0,0,0|1,0,0]=4 22048 B13R1.18 CCNN=C(C)c1cccc(c1)C 4a_100000756455_100000211476 [0,3,0,0,0,0|1,0,0]=4 22049 B13R1.18 CCNNC(=O)c1cccc(c1)Br 22a_100000756455_100000210664 [0,3,0,0,0,0|1,0,0]=4 22050 B13R1.18 CCNNC(=O)c1cccc(c1)C 22a_100000756455_100000189346 [0,3,0,0,0,0|0,0,0]=3 22051 B13R1.18 CCNNC(=O)c1cccc(c1)Cl 22a_100000756455_100000210390 [0,3,0,0,0,0|1,0,0]=4 22052 B13R1.18 CCNNC(=O)c1cccc(c1)F 22a_100000756455_100000210950 [0,3,0,0,0,0|1,0,0]=4 22053 B13R1.18 CCNNC(=O)c1cccc(c1)I 22a_100000756455_100000184098 [0,3,0,0,0,0|1,0,0]=4 22054 B13R1.18 CCNNC(=O)c1cccc(c1)O 22a_100000756455_100000183914 [0,3,0,0,0,0|1,0,0]=4 22055 B13R1.18 CCOCC(=O)c1cccc(c1)Br 34a_100121572206_100000212080 [0,3,0,0,0,0|1,0,0]=4 22056 B13R1.18 CCOCC(=O)c1cccc(c1)C 34a_100121572206_100000739480 [0,3,0,0,0,0|0,0,0]=3 22057 B13R1.18 CCOCC(=O)c1cccc(c1)Cl 34a_100121572206_100000211444 [0,3,0,0,0,0|1,0,0]=4 22058 B13R1.18 CCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210202 [0,3,0,0,0,0|1,0,0]=4 22059 B13R1.18 CCOCC(=O)c1cccc(c1)F 34a_100011592800_100000210202 [0,3,0,0,0,0|1,0,0]=4 22060 B13R1.18 CCOCC(=O)c1cccc(c1)F 34a_100121572206_100000215616 [0,3,0,0,0,0|1,0,0]=4 22061 B13R1.18 CCOCC(=O)c1cccc(c1)F 7a_100011592800_100000210202 [0,3,0,0,0,0|1,0,0]=4 22062 B13R1.18 CCOCC(=O)c1cccc(c1)O 34a_100121572206_100009813753 [0,3,0,0,0,0|1,0,0]=4 22063 B13R1.18 CCSCC(=O)c1cccc(c1)Br 62a_100000210202_100000212080 [0,3,0,0,0,0|1,0,0]=4 22064 B13R1.18 CCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000210202 [0,3,0,0,0,0|1,0,0]=4 22065 B13R1.18 CCSCC(=O)c1cccc(c1)C 62a_100000210202_100000739480 [0,3,0,0,0,0|0,0,0]=3 22066 B13R1.18 CCSCC(=O)c1cccc(c1)C 62a_100000739480_100000210202 [0,3,0,0,0,0|0,0,0]=3 22067 B13R1.18 CCSCC(=O)c1cccc(c1)Cl 62a_100000210202_100000211444 [0,3,0,0,0,0|1,0,0]=4 22068 B13R1.18 CCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210202 [0,3,0,0,0,0|1,0,0]=4 22069 B13R1.18 CCSCC(=O)c1cccc(c1)F 62a_100000210202_100000215616 [0,3,0,0,0,0|1,0,0]=4 22070 B13R1.18 CCSCC(=O)c1cccc(c1)F 62a_100000215616_100000210202 [0,3,0,0,0,0|1,0,0]=4 22071 B13R1.18 CCSCC(=O)c1cccc(c1)O 62a_100000210202_100009813753 [0,3,0,0,0,0|1,0,0]=4 22072 B13R1.18 CCSCC(=O)c1cccc(c1)O 62a_100009813753_100000210202 [0,3,0,0,0,0|1,0,0]=4 22073 B13R1.18 COCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000233755 [0,3,0,0,0,0|1,0,0]=4 22074 B13R1.18 COCCC(=O)c1cccc(c1)C 1458a_100000189346_100000233755 [0,3,0,0,0,0|0,0,0]=3 22075 B13R1.18 COCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000233755 [0,3,0,0,0,0|1,0,0]=4 22076 B13R1.18 COCCC(=O)c1cccc(c1)F 1458a_100000210950_100000233755 [0,3,0,0,0,0|1,0,0]=4 22077 B13R1.18 COCCC(=O)c1cccc(c1)I 1458a_100000184098_100000233755 [0,3,0,0,0,0|1,0,0]=4 22078 B13R1.18 COCCC(=O)c1cccc(c1)O 1458a_100000183914_100000233755 [0,3,0,0,0,0|1,0,0]=4 22079 B13R1.18 CSCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000751147 [0,3,0,0,0,0|1,0,0]=4 22080 B13R1.18 CSCCC(=O)c1cccc(c1)C 1458a_100000189346_100000751147 [0,3,0,0,0,0|0,0,0]=3 22081 B13R1.18 CSCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000751147 [0,3,0,0,0,0|1,0,0]=4 22082 B13R1.18 CSCCC(=O)c1cccc(c1)F 1458a_100000210950_100000751147 [0,3,0,0,0,0|1,0,0]=4 22083 B13R1.18 CSCCC(=O)c1cccc(c1)I 1458a_100000184098_100000751147 [0,3,0,0,0,0|1,0,0]=4 22084 B13R1.18 CSCCC(=O)c1cccc(c1)O 1458a_100000183914_100000751147 [0,3,0,0,0,0|1,0,0]=4 22085 B13R1.18 Cc1cccc(c1)C(=O)CCC#N 1458a_100000189346_100011215226 [0,3,0,0,0,0|0,0,0]=3 22086 B13R1.18 Cc1cccc(c1)C(=O)CCCF 1458a_100000189346_100011934791 [0,3,0,0,0,0|0,0,0]=3 22087 B13R1.18 Cc1cccc(c1)C(=O)CCCO 1458a_100000189346_100011215043 [0,3,0,0,0,0|0,0,0]=3 22088 B13R1.18 Cc1cccc(c1)C(=O)CSCF 62a_100000739480_100015361967 [0,3,0,0,0,0|0,0,0]=3 22089 B13R1.18 Cc1cccc(c1)C(=O)CSCF 62a_100015361967_100000739480 [0,3,0,0,0,0|0,0,0]=3 22090 B13R1.18 Cc1cccc(c1)C(=O)NCC#N 1626a_100000734998_100000189346 [0,3,0,0,0,0|0,0,0]=3 22091 B13R1.18 Cc1cccc(c1)C(=O)NCC#N 527a_100000734998_100000189346 [0,3,0,0,0,0|0,0,0]=3 22092 B13R1.18 Cc1cccc(c1)C(=O)NCCF 11a_100000724931_100000189346 [0,3,0,0,0,0|0,0,0]=3 22093 B13R1.18 Cc1cccc(c1)C(=O)NCCF 1626a_100000724931_100000189346 [0,3,0,0,0,0|0,0,0]=3 22094 B13R1.18 Cc1cccc(c1)C(=O)NCCF 240690a_100000724931_100000189346 [0,3,0,0,0,0|0,0,0]=3 22095 B13R1.18 Cc1cccc(c1)C(=O)NCCF 527a_100000724931_100000189346 [0,3,0,0,0,0|0,0,0]=3 22096 B13R1.18 Cc1cccc(c1)C(=O)NCCO 240690a_100000210304_100000189346 [0,3,0,0,0,0|0,0,0]=3 22097 B13R1.18 Cc1cccc(c1)C(=O)NCCO 527a_100000210304_100000189346 [0,3,0,0,0,0|0,0,0]=3 22098 B13R1.18 Cc1cccc(c1)C(C)OCC=O 34a_100000757818_200009817547 [0,3,0,0,0,0|0,0,1]=4 22099 B13R1.18 Cc1cccc(c1)C(C)OCC=O 7a_100000757818_200015260668 [0,3,0,0,0,0|0,0,1]=4 22100 B13R1.18 Cc1cccc(c1)[C@@H](C)NCC=O 2230a_100000698126_200015260668 [0,3,0,0,0,0|0,0,1]=4 22101 B13R1.18 Cc1cccc(c1)[C@@H](C)NCC=O 34a_100000698126_200009817547 [0,3,0,0,0,0|0,0,1]=4 22102 B13R1.18 N#CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011215226 [0,3,0,0,0,0|1,0,0]=4 22103 B13R1.18 N#CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011215226 [0,3,0,0,0,0|1,0,0]=4 22104 B13R1.18 N#CCCC(=O)c1cccc(c1)F 1458a_100000210950_100011215226 [0,3,0,0,0,0|1,0,0]=4 22105 B13R1.18 N#CCCC(=O)c1cccc(c1)I 1458a_100000184098_100011215226 [0,3,0,0,0,0|1,0,0]=4 22106 B13R1.18 N#CCCC(=O)c1cccc(c1)O 1458a_100000183914_100011215226 [0,3,0,0,0,0|1,0,0]=4 22107 B13R1.18 N#CCNC(=O)c1cccc(c1)Br 1626a_100000734998_100000210664 [0,3,0,0,0,0|1,0,0]=4 22108 B13R1.18 N#CCNC(=O)c1cccc(c1)Br 527a_100000734998_100000210664 [0,3,0,0,0,0|1,0,0]=4 22109 B13R1.18 N#CCNC(=O)c1cccc(c1)Cl 1626a_100000734998_100000210390 [0,3,0,0,0,0|1,0,0]=4 22110 B13R1.18 N#CCNC(=O)c1cccc(c1)Cl 527a_100000734998_100000210390 [0,3,0,0,0,0|1,0,0]=4 22111 B13R1.18 N#CCNC(=O)c1cccc(c1)F 1626a_100000734998_100000210950 [0,3,0,0,0,0|1,0,0]=4 22112 B13R1.18 N#CCNC(=O)c1cccc(c1)F 527a_100000734998_100000210950 [0,3,0,0,0,0|1,0,0]=4 22113 B13R1.18 N#CCNC(=O)c1cccc(c1)I 1626a_100000734998_100000184098 [0,3,0,0,0,0|1,0,0]=4 22114 B13R1.18 N#CCNC(=O)c1cccc(c1)I 527a_100000734998_100000184098 [0,3,0,0,0,0|1,0,0]=4 22115 B13R1.18 N#CCNC(=O)c1cccc(c1)O 527a_100000734998_100000183914 [0,3,0,0,0,0|1,0,0]=4 22116 B13R1.18 O=C(CCCF)c1cccc(c1)Br 1458a_100000210664_100011934791 [0,3,0,0,0,0|1,0,0]=4 22117 B13R1.18 O=C(CCCF)c1cccc(c1)Cl 1458a_100000210390_100011934791 [0,3,0,0,0,0|1,0,0]=4 22118 B13R1.18 O=C(CCCF)c1cccc(c1)F 1458a_100000210950_100011934791 [0,3,0,0,0,0|1,0,0]=4 22119 B13R1.18 O=C(CCCF)c1cccc(c1)I 1458a_100000184098_100011934791 [0,3,0,0,0,0|1,0,0]=4 22120 B13R1.18 O=C(CCCF)c1cccc(c1)O 1458a_100000183914_100011934791 [0,3,0,0,0,0|1,0,0]=4 22121 B13R1.18 O=C(CCCO)c1cccc(c1)Br 1458a_100000210664_100011215043 [0,3,0,0,0,0|1,0,0]=4 22122 B13R1.18 O=C(CCCO)c1cccc(c1)Cl 1458a_100000210390_100011215043 [0,3,0,0,0,0|1,0,0]=4 22123 B13R1.18 O=C(CCCO)c1cccc(c1)F 1458a_100000210950_100011215043 [0,3,0,0,0,0|1,0,0]=4 22124 B13R1.18 O=C(CCCO)c1cccc(c1)I 1458a_100000184098_100011215043 [0,3,0,0,0,0|1,0,0]=4 22125 B13R1.18 O=C(CCCO)c1cccc(c1)O 1458a_100000183914_100011215043 [0,3,0,0,0,0|1,0,0]=4 22126 B13R1.18 O=C(COCF)c1cccc(c1)Cl 7a_200011592804_100015361967 [0,3,0,0,0,0|1,0,0]=4 22127 B13R1.18 O=C(COCF)c1cccc(c1)F 34a_100011592800_100015361967 [0,3,0,0,0,0|1,0,0]=4 22128 B13R1.18 O=C(COCF)c1cccc(c1)F 7a_100011592800_100015361967 [0,3,0,0,0,0|1,0,0]=4 22129 B13R1.18 O=C(CSCF)c1cccc(c1)Br 62a_100000212080_100015361967 [0,3,0,0,0,0|1,0,0]=4 22130 B13R1.18 O=C(CSCF)c1cccc(c1)Br 62a_100015361967_100000212080 [0,3,0,0,0,0|1,0,0]=4 22131 B13R1.18 O=C(CSCF)c1cccc(c1)Cl 62a_100000211444_100015361967 [0,3,0,0,0,0|1,0,0]=4 22132 B13R1.18 O=C(CSCF)c1cccc(c1)Cl 62a_100015361967_100000211444 [0,3,0,0,0,0|1,0,0]=4 22133 B13R1.18 O=C(CSCF)c1cccc(c1)F 62a_100000215616_100015361967 [0,3,0,0,0,0|1,0,0]=4 22134 B13R1.18 O=C(CSCF)c1cccc(c1)F 62a_100015361967_100000215616 [0,3,0,0,0,0|1,0,0]=4 22135 B13R1.18 O=C(CSCF)c1cccc(c1)O 62a_100009813753_100015361967 [0,3,0,0,0,0|1,0,0]=4 22136 B13R1.18 O=C(CSCF)c1cccc(c1)O 62a_100015361967_100009813753 [0,3,0,0,0,0|1,0,0]=4 22137 B13R1.18 O=C(NCCF)c1cccc(c1)Br 11a_100000724931_100000210664 [0,3,0,0,0,0|1,0,0]=4 22138 B13R1.18 O=C(NCCF)c1cccc(c1)Br 1626a_100000724931_100000210664 [0,3,0,0,0,0|1,0,0]=4 22139 B13R1.18 O=C(NCCF)c1cccc(c1)Br 240690a_100000724931_100000210664 [0,3,0,0,0,0|1,0,0]=4 22140 B13R1.18 O=C(NCCF)c1cccc(c1)Br 527a_100000724931_100000210664 [0,3,0,0,0,0|1,0,0]=4 22141 B13R1.18 O=C(NCCF)c1cccc(c1)Cl 11a_100000724931_100000210390 [0,3,0,0,0,0|1,0,0]=4 22142 B13R1.18 O=C(NCCF)c1cccc(c1)Cl 1626a_100000724931_100000210390 [0,3,0,0,0,0|1,0,0]=4 22143 B13R1.18 O=C(NCCF)c1cccc(c1)Cl 240690a_100000724931_100000210390 [0,3,0,0,0,0|1,0,0]=4 22144 B13R1.18 O=C(NCCF)c1cccc(c1)Cl 527a_100000724931_100000210390 [0,3,0,0,0,0|1,0,0]=4 22145 B13R1.18 O=C(NCCF)c1cccc(c1)F 11a_100000724931_100000210950 [0,3,0,0,0,0|1,0,0]=4 22146 B13R1.18 O=C(NCCF)c1cccc(c1)F 1626a_100000724931_100000210950 [0,3,0,0,0,0|1,0,0]=4 22147 B13R1.18 O=C(NCCF)c1cccc(c1)F 240690a_100000724931_100000210950 [0,3,0,0,0,0|1,0,0]=4 22148 B13R1.18 O=C(NCCF)c1cccc(c1)F 527a_100000724931_100000210950 [0,3,0,0,0,0|1,0,0]=4 22149 B13R1.18 O=C(NCCF)c1cccc(c1)I 11a_100000724931_100000184098 [0,3,0,0,0,0|1,0,0]=4 22150 B13R1.18 O=C(NCCF)c1cccc(c1)I 1626a_100000724931_100000184098 [0,3,0,0,0,0|1,0,0]=4 22151 B13R1.18 O=C(NCCF)c1cccc(c1)I 240690a_100000724931_100000184098 [0,3,0,0,0,0|1,0,0]=4 22152 B13R1.18 O=C(NCCF)c1cccc(c1)I 527a_100000724931_100000184098 [0,3,0,0,0,0|1,0,0]=4 22153 B13R1.18 O=C(NCCF)c1cccc(c1)O 240690a_100000724931_100000183914 [0,3,0,0,0,0|1,0,0]=4 22154 B13R1.18 O=C(NCCF)c1cccc(c1)O 527a_100000724931_100000183914 [0,3,0,0,0,0|1,0,0]=4 22155 B13R1.18 O=C(NCCO)c1cccc(c1)Br 240690a_100000210304_100000210664 [0,3,0,0,0,0|1,0,0]=4 22156 B13R1.18 O=C(NCCO)c1cccc(c1)Br 527a_100000210304_100000210664 [0,3,0,0,0,0|1,0,0]=4 22157 B13R1.18 O=C(NCCO)c1cccc(c1)Cl 240690a_100000210304_100000210390 [0,3,0,0,0,0|1,0,0]=4 22158 B13R1.18 O=C(NCCO)c1cccc(c1)Cl 527a_100000210304_100000210390 [0,3,0,0,0,0|1,0,0]=4 22159 B13R1.18 O=C(NCCO)c1cccc(c1)F 240690a_100000210304_100000210950 [0,3,0,0,0,0|1,0,0]=4 22160 B13R1.18 O=C(NCCO)c1cccc(c1)F 527a_100000210304_100000210950 [0,3,0,0,0,0|1,0,0]=4 22161 B13R1.18 O=C(NCCO)c1cccc(c1)I 240690a_100000210304_100000184098 [0,3,0,0,0,0|1,0,0]=4 22162 B13R1.18 O=C(NCCO)c1cccc(c1)I 527a_100000210304_100000184098 [0,3,0,0,0,0|1,0,0]=4 22163 B13R1.18 O=C(NCCO)c1cccc(c1)O 240690a_100000210304_100000183914 [0,3,0,0,0,0|1,0,0]=4 22164 B13R1.18 O=C(NCCO)c1cccc(c1)O 271570a_203496583355_200000158903 [0,3,0,0,0,0|1,0,0]=4 22165 B13R1.18 O=C(NCCO)c1cccc(c1)O 527a_100000210304_100000183914 [0,3,0,0,0,0|1,0,0]=4 22166 B13R1.446 C#CCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000184674 [0,3,0,0,0,0|1,0,0]=4 22167 B13R1.446 C#CCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000184674 [0,3,0,0,0,0|0,0,0]=3 22168 B13R1.446 C#CCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000184674 [0,3,0,0,0,0|1,0,0]=4 22169 B13R1.446 C#CCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000184674 [0,3,0,0,0,0|1,0,0]=4 22170 B13R1.446 C#CCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000184674 [0,3,0,0,0,0|1,0,0]=4 22171 B13R1.446 C#CCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000184674 [0,3,0,0,0,0|1,0,0]=4 22172 B13R1.446 C#CCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000184674 [0,3,0,0,0,0|1,0,0]=4 22173 B13R1.446 C#CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000184674 [0,3,0,0,0,0|0,0,0]=3 22174 B13R1.446 C#CCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000184674 [0,3,0,0,0,0|1,0,0]=4 22175 B13R1.446 C#CCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000184674 [0,3,0,0,0,0|1,0,0]=4 22176 B13R1.446 C#CCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000184674 [0,3,0,0,0,0|1,0,0]=4 22177 B13R1.446 C#CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000184674 [0,3,0,0,0,0|1,0,0]=4 22178 B13R1.446 C#CCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000184674 [0,3,0,0,0,0|1,0,0]=4 22179 B13R1.446 C#CCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000184674 [0,3,0,0,0,0|0,0,0]=3 22180 B13R1.446 C#CCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000184674 [0,3,0,0,0,0|1,0,0]=4 22181 B13R1.446 C#CCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000184674 [0,3,0,0,0,0|1,0,0]=4 22182 B13R1.446 C#CCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000184674 [0,3,0,0,0,0|1,0,0]=4 22183 B13R1.446 C#CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000184674 [0,3,0,0,0,0|1,0,0]=4 22184 B13R1.446 C#CCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000184674 [0,3,0,0,0,0|1,0,0]=4 22185 B13R1.446 C#CCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000184674 [0,3,0,0,0,0|0,0,0]=3 22186 B13R1.446 C#CCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000184674 [0,3,0,0,0,0|1,0,0]=4 22187 B13R1.446 C#CCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000184674 [0,3,0,0,0,0|1,0,0]=4 22188 B13R1.446 C#CCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000184674 [0,3,0,0,0,0|1,0,0]=4 22189 B13R1.446 C#CCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000184674 [0,3,0,0,0,0|1,0,0]=4 22190 B13R1.446 C#CCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000184674 [0,3,0,0,0,0|1,0,0]=4 22191 B13R1.446 C#CCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000184674 [0,3,0,0,0,0|0,0,0]=3 22192 B13R1.446 C#CCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000184674 [0,3,0,0,0,0|1,0,0]=4 22193 B13R1.446 C#CCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000184674 [0,3,0,0,0,0|1,0,0]=4 22194 B13R1.446 C#CCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000184674 [0,3,0,0,0,0|1,0,0]=4 22195 B13R1.446 C#CCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000184674 [0,3,0,0,0,0|1,0,0]=4 22196 B13R1.446 C#CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000184674 [0,3,0,0,0,0|1,0,0]=4 22197 B13R1.446 C#CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000184674 [0,3,0,0,0,0|0,0,0]=3 22198 B13R1.446 C#CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000184674 [0,3,0,0,0,0|1,0,0]=4 22199 B13R1.446 C#CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000184674 [0,3,0,0,0,0|1,0,0]=4 22200 B13R1.446 C#CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000184674 [0,3,0,0,0,0|1,0,0]=4 22201 B13R1.446 C#CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000184674 [0,3,0,0,0,0|1,0,0]=4 22202 B13R1.446 C=CCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210623 [0,3,0,0,0,0|1,0,0]=4 22203 B13R1.446 C=CCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210623 [0,3,0,0,0,0|0,0,0]=3 22204 B13R1.446 C=CCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210623 [0,3,0,0,0,0|1,0,0]=4 22205 B13R1.446 C=CCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210623 [0,3,0,0,0,0|1,0,0]=4 22206 B13R1.446 C=CCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210623 [0,3,0,0,0,0|1,0,0]=4 22207 B13R1.446 C=CCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210623 [0,3,0,0,0,0|1,0,0]=4 22208 B13R1.446 C=CCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210623 [0,3,0,0,0,0|1,0,0]=4 22209 B13R1.446 C=CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210623 [0,3,0,0,0,0|0,0,0]=3 22210 B13R1.446 C=CCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210623 [0,3,0,0,0,0|1,0,0]=4 22211 B13R1.446 C=CCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210623 [0,3,0,0,0,0|1,0,0]=4 22212 B13R1.446 C=CCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210623 [0,3,0,0,0,0|1,0,0]=4 22213 B13R1.446 C=CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210623 [0,3,0,0,0,0|1,0,0]=4 22214 B13R1.446 C=CCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210623 [0,3,0,0,0,0|1,0,0]=4 22215 B13R1.446 C=CCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210623 [0,3,0,0,0,0|0,0,0]=3 22216 B13R1.446 C=CCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210623 [0,3,0,0,0,0|1,0,0]=4 22217 B13R1.446 C=CCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210623 [0,3,0,0,0,0|1,0,0]=4 22218 B13R1.446 C=CCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210623 [0,3,0,0,0,0|1,0,0]=4 22219 B13R1.446 C=CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210623 [0,3,0,0,0,0|1,0,0]=4 22220 B13R1.446 C=CCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210623 [0,3,0,0,0,0|1,0,0]=4 22221 B13R1.446 C=CCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210623 [0,3,0,0,0,0|0,0,0]=3 22222 B13R1.446 C=CCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210623 [0,3,0,0,0,0|1,0,0]=4 22223 B13R1.446 C=CCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210623 [0,3,0,0,0,0|1,0,0]=4 22224 B13R1.446 C=CCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210623 [0,3,0,0,0,0|1,0,0]=4 22225 B13R1.446 C=CCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210623 [0,3,0,0,0,0|1,0,0]=4 22226 B13R1.446 C=CCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210623 [0,3,0,0,0,0|1,0,0]=4 22227 B13R1.446 C=CCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210623 [0,3,0,0,0,0|0,0,0]=3 22228 B13R1.446 C=CCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210623 [0,3,0,0,0,0|1,0,0]=4 22229 B13R1.446 C=CCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210623 [0,3,0,0,0,0|1,0,0]=4 22230 B13R1.446 C=CCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210623 [0,3,0,0,0,0|1,0,0]=4 22231 B13R1.446 C=CCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210623 [0,3,0,0,0,0|1,0,0]=4 22232 B13R1.446 C=CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210623 [0,3,0,0,0,0|1,0,0]=4 22233 B13R1.446 C=CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210623 [0,3,0,0,0,0|0,0,0]=3 22234 B13R1.446 C=CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210623 [0,3,0,0,0,0|1,0,0]=4 22235 B13R1.446 C=CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210623 [0,3,0,0,0,0|1,0,0]=4 22236 B13R1.446 C=CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210623 [0,3,0,0,0,0|1,0,0]=4 22237 B13R1.446 C=CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210623 [0,3,0,0,0,0|1,0,0]=4 22238 B13R1.446 CCCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210303 [0,3,0,0,0,0|1,0,0]=4 22239 B13R1.446 CCCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210303 [0,3,0,0,0,0|0,0,0]=3 22240 B13R1.446 CCCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210303 [0,3,0,0,0,0|1,0,0]=4 22241 B13R1.446 CCCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210303 [0,3,0,0,0,0|1,0,0]=4 22242 B13R1.446 CCCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210303 [0,3,0,0,0,0|1,0,0]=4 22243 B13R1.446 CCCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210303 [0,3,0,0,0,0|1,0,0]=4 22244 B13R1.446 CCCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210303 [0,3,0,0,0,0|1,0,0]=4 22245 B13R1.446 CCCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210303 [0,3,0,0,0,0|0,0,0]=3 22246 B13R1.446 CCCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210303 [0,3,0,0,0,0|1,0,0]=4 22247 B13R1.446 CCCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210303 [0,3,0,0,0,0|1,0,0]=4 22248 B13R1.446 CCCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210303 [0,3,0,0,0,0|1,0,0]=4 22249 B13R1.446 CCCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210303 [0,3,0,0,0,0|1,0,0]=4 22250 B13R1.446 CCCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210303 [0,3,0,0,0,0|1,0,0]=4 22251 B13R1.446 CCCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210303 [0,3,0,0,0,0|0,0,0]=3 22252 B13R1.446 CCCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210303 [0,3,0,0,0,0|1,0,0]=4 22253 B13R1.446 CCCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210303 [0,3,0,0,0,0|1,0,0]=4 22254 B13R1.446 CCCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210303 [0,3,0,0,0,0|1,0,0]=4 22255 B13R1.446 CCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210303 [0,3,0,0,0,0|1,0,0]=4 22256 B13R1.446 CCCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210303 [0,3,0,0,0,0|1,0,0]=4 22257 B13R1.446 CCCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210303 [0,3,0,0,0,0|0,0,0]=3 22258 B13R1.446 CCCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210303 [0,3,0,0,0,0|1,0,0]=4 22259 B13R1.446 CCCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210303 [0,3,0,0,0,0|1,0,0]=4 22260 B13R1.446 CCCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210303 [0,3,0,0,0,0|1,0,0]=4 22261 B13R1.446 CCCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210303 [0,3,0,0,0,0|1,0,0]=4 22262 B13R1.446 CCCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210303 [0,3,0,0,0,0|1,0,0]=4 22263 B13R1.446 CCCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210303 [0,3,0,0,0,0|0,0,0]=3 22264 B13R1.446 CCCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210303 [0,3,0,0,0,0|1,0,0]=4 22265 B13R1.446 CCCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210303 [0,3,0,0,0,0|1,0,0]=4 22266 B13R1.446 CCCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210303 [0,3,0,0,0,0|1,0,0]=4 22267 B13R1.446 CCCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210303 [0,3,0,0,0,0|1,0,0]=4 22268 B13R1.446 CCCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210303 [0,3,0,0,0,0|1,0,0]=4 22269 B13R1.446 CCCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210303 [0,3,0,0,0,0|0,0,0]=3 22270 B13R1.446 CCCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210303 [0,3,0,0,0,0|1,0,0]=4 22271 B13R1.446 CCCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210303 [0,3,0,0,0,0|1,0,0]=4 22272 B13R1.446 CCCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210303 [0,3,0,0,0,0|1,0,0]=4 22273 B13R1.446 CCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210303 [0,3,0,0,0,0|1,0,0]=4 22274 B13R1.446 CCNC(=O)c1cc(ccc1Br)Br 11a_100015525214_100000690610 [0,3,0,0,0,0|1,0,0]=4 22275 B13R1.446 CCNC(=O)c1cc(ccc1Br)Br 240690a_100015525214_100000690610 [0,3,0,0,0,0|1,0,0]=4 22276 B13R1.446 CCNC(=O)c1cc(ccc1Br)Br 527a_100015525214_100000690610 [0,3,0,0,0,0|1,0,0]=4 22277 B13R1.446 CCNC(=O)c1cc(ccc1Br)C 11a_100015525214_100000689033 [0,3,0,0,0,0|0,0,0]=3 22278 B13R1.446 CCNC(=O)c1cc(ccc1Br)C 240690a_100015525214_100000689033 [0,3,0,0,0,0|0,0,0]=3 22279 B13R1.446 CCNC(=O)c1cc(ccc1Br)C 527a_100015525214_100000689033 [0,3,0,0,0,0|0,0,0]=3 22280 B13R1.446 CCNC(=O)c1cc(ccc1Br)Cl 11a_100015525214_100000736951 [0,3,0,0,0,0|1,0,0]=4 22281 B13R1.446 CCNC(=O)c1cc(ccc1Br)Cl 240690a_100015525214_100000736951 [0,3,0,0,0,0|1,0,0]=4 22282 B13R1.446 CCNC(=O)c1cc(ccc1Br)Cl 527a_100015525214_100000736951 [0,3,0,0,0,0|1,0,0]=4 22283 B13R1.446 CCNC(=O)c1cc(ccc1Br)F 11a_100015525214_100000212315 [0,3,0,0,0,0|1,0,0]=4 22284 B13R1.446 CCNC(=O)c1cc(ccc1Br)F 240690a_100015525214_100000212315 [0,3,0,0,0,0|1,0,0]=4 22285 B13R1.446 CCNC(=O)c1cc(ccc1Br)F 527a_100015525214_100000212315 [0,3,0,0,0,0|1,0,0]=4 22286 B13R1.446 CCNC(=O)c1cc(ccc1Br)I 11a_100015525214_100000698340 [0,3,0,0,0,0|1,0,0]=4 22287 B13R1.446 CCNC(=O)c1cc(ccc1Br)I 240690a_100015525214_100000698340 [0,3,0,0,0,0|1,0,0]=4 22288 B13R1.446 CCNC(=O)c1cc(ccc1Br)I 527a_100015525214_100000698340 [0,3,0,0,0,0|1,0,0]=4 22289 B13R1.446 CCNC(=O)c1cc(ccc1Br)O 240690a_100015525214_100012352043 [0,3,0,0,0,0|1,0,0]=4 22290 B13R1.446 CCNC(=O)c1cc(ccc1Br)O 527a_100015525214_100012352043 [0,3,0,0,0,0|1,0,0]=4 22291 B13R1.446 CCNC(=O)c1cc(ccc1C)Br 11a_100015525214_100000759961 [0,3,0,0,0,0|1,0,0]=4 22292 B13R1.446 CCNC(=O)c1cc(ccc1C)Br 240690a_100015525214_100000759961 [0,3,0,0,0,0|1,0,0]=4 22293 B13R1.446 CCNC(=O)c1cc(ccc1C)Br 527a_100015525214_100000759961 [0,3,0,0,0,0|1,0,0]=4 22294 B13R1.446 CCNC(=O)c1cc(ccc1C)C 11a_100015525214_100000195421 [0,3,0,0,0,0|0,0,0]=3 22295 B13R1.446 CCNC(=O)c1cc(ccc1C)C 240690a_100015525214_100000195421 [0,3,0,0,0,0|0,0,0]=3 22296 B13R1.446 CCNC(=O)c1cc(ccc1C)C 527a_100015525214_100000195421 [0,3,0,0,0,0|0,0,0]=3 22297 B13R1.446 CCNC(=O)c1cc(ccc1C)Cl 11a_100015525214_100000692595 [0,3,0,0,0,0|1,0,0]=4 22298 B13R1.446 CCNC(=O)c1cc(ccc1C)Cl 240690a_100015525214_100000692595 [0,3,0,0,0,0|1,0,0]=4 22299 B13R1.446 CCNC(=O)c1cc(ccc1C)Cl 527a_100015525214_100000692595 [0,3,0,0,0,0|1,0,0]=4 22300 B13R1.446 CCNC(=O)c1cc(ccc1C)F 11a_100015525214_100000240043 [0,3,0,0,0,0|1,0,0]=4 22301 B13R1.446 CCNC(=O)c1cc(ccc1C)F 240690a_100015525214_100000240043 [0,3,0,0,0,0|1,0,0]=4 22302 B13R1.446 CCNC(=O)c1cc(ccc1C)F 527a_100015525214_100000240043 [0,3,0,0,0,0|1,0,0]=4 22303 B13R1.446 CCNC(=O)c1cc(ccc1C)I 11a_100015525214_100000688012 [0,3,0,0,0,0|1,0,0]=4 22304 B13R1.446 CCNC(=O)c1cc(ccc1C)I 240690a_100015525214_100000688012 [0,3,0,0,0,0|1,0,0]=4 22305 B13R1.446 CCNC(=O)c1cc(ccc1C)I 527a_100015525214_100000688012 [0,3,0,0,0,0|1,0,0]=4 22306 B13R1.446 CCNC(=O)c1cc(ccc1C)O 240690a_100015525214_100000687834 [0,3,0,0,0,0|1,0,0]=4 22307 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br 11a_100015525214_100000211212 [0,3,0,0,0,0|1,0,0]=4 22308 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br 240690a_100015525214_100000211212 [0,3,0,0,0,0|1,0,0]=4 22309 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br 527a_100015525214_100000211212 [0,3,0,0,0,0|1,0,0]=4 22310 B13R1.446 CCNC(=O)c1cc(ccc1Cl)C 11a_100015525214_100011290873 [0,3,0,0,0,0|0,0,0]=3 22311 B13R1.446 CCNC(=O)c1cc(ccc1Cl)C 240690a_100015525214_100011290873 [0,3,0,0,0,0|0,0,0]=3 22312 B13R1.446 CCNC(=O)c1cc(ccc1Cl)C 527a_100015525214_100011290873 [0,3,0,0,0,0|0,0,0]=3 22313 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl 11a_100015525214_100000210642 [0,3,0,0,0,0|1,0,0]=4 22314 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl 240690a_100015525214_100000210642 [0,3,0,0,0,0|1,0,0]=4 22315 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl 527a_100015525214_100000210642 [0,3,0,0,0,0|1,0,0]=4 22316 B13R1.446 CCNC(=O)c1cc(ccc1Cl)F 11a_100015525214_100011219680 [0,3,0,0,0,0|1,0,0]=4 22317 B13R1.446 CCNC(=O)c1cc(ccc1Cl)F 240690a_100015525214_100011219680 [0,3,0,0,0,0|1,0,0]=4 22318 B13R1.446 CCNC(=O)c1cc(ccc1Cl)F 527a_100015525214_100011219680 [0,3,0,0,0,0|1,0,0]=4 22319 B13R1.446 CCNC(=O)c1cc(ccc1Cl)I 11a_100015525214_100000688013 [0,3,0,0,0,0|1,0,0]=4 22320 B13R1.446 CCNC(=O)c1cc(ccc1Cl)I 240690a_100015525214_100000688013 [0,3,0,0,0,0|1,0,0]=4 22321 B13R1.446 CCNC(=O)c1cc(ccc1Cl)I 527a_100015525214_100000688013 [0,3,0,0,0,0|1,0,0]=4 22322 B13R1.446 CCNC(=O)c1cc(ccc1Cl)O 240690a_100015525214_100000719527 [0,3,0,0,0,0|1,0,0]=4 22323 B13R1.446 CCNC(=O)c1cc(ccc1Cl)O 527a_100015525214_100000719527 [0,3,0,0,0,0|1,0,0]=4 22324 B13R1.446 CCNC(=O)c1cc(ccc1F)Br 11a_100015525214_100000212322 [0,3,0,0,0,0|1,0,0]=4 22325 B13R1.446 CCNC(=O)c1cc(ccc1F)Br 240690a_100015525214_100000212322 [0,3,0,0,0,0|1,0,0]=4 22326 B13R1.446 CCNC(=O)c1cc(ccc1F)Br 527a_100015525214_100000212322 [0,3,0,0,0,0|1,0,0]=4 22327 B13R1.446 CCNC(=O)c1cc(ccc1F)C 11a_100015525214_100000749327 [0,3,0,0,0,0|0,0,0]=3 22328 B13R1.446 CCNC(=O)c1cc(ccc1F)C 240690a_100015525214_100000749327 [0,3,0,0,0,0|0,0,0]=3 22329 B13R1.446 CCNC(=O)c1cc(ccc1F)C 527a_100015525214_100000749327 [0,3,0,0,0,0|0,0,0]=3 22330 B13R1.446 CCNC(=O)c1cc(ccc1F)Cl 11a_100015525214_100000214954 [0,3,0,0,0,0|1,0,0]=4 22331 B13R1.446 CCNC(=O)c1cc(ccc1F)Cl 240690a_100015525214_100000214954 [0,3,0,0,0,0|1,0,0]=4 22332 B13R1.446 CCNC(=O)c1cc(ccc1F)Cl 527a_100015525214_100000214954 [0,3,0,0,0,0|1,0,0]=4 22333 B13R1.446 CCNC(=O)c1cc(ccc1F)F 11a_100015525214_100000198512 [0,3,0,0,0,0|1,0,0]=4 22334 B13R1.446 CCNC(=O)c1cc(ccc1F)F 240690a_100015525214_100000198512 [0,3,0,0,0,0|1,0,0]=4 22335 B13R1.446 CCNC(=O)c1cc(ccc1F)F 527a_100015525214_100000198512 [0,3,0,0,0,0|1,0,0]=4 22336 B13R1.446 CCNC(=O)c1cc(ccc1F)I 11a_100015525214_100000688014 [0,3,0,0,0,0|1,0,0]=4 22337 B13R1.446 CCNC(=O)c1cc(ccc1F)I 240690a_100015525214_100000688014 [0,3,0,0,0,0|1,0,0]=4 22338 B13R1.446 CCNC(=O)c1cc(ccc1F)I 527a_100015525214_100000688014 [0,3,0,0,0,0|1,0,0]=4 22339 B13R1.446 CCNC(=O)c1cc(ccc1F)O 240690a_100015525214_100000037260 [0,3,0,0,0,0|1,0,0]=4 22340 B13R1.446 CCNC(=O)c1cc(ccc1F)O 271570a_203496583355_100000155167 [0,3,0,0,0,0|1,0,0]=4 22341 B13R1.446 CCNC(=O)c1cc(ccc1F)O 527a_100015525214_100000037260 [0,3,0,0,0,0|1,0,0]=4 22342 B13R1.446 CCNC(=O)c1cc(ccc1I)Br 11a_100015525214_100000183945 [0,3,0,0,0,0|1,0,0]=4 22343 B13R1.446 CCNC(=O)c1cc(ccc1I)Br 240690a_100015525214_100000183945 [0,3,0,0,0,0|1,0,0]=4 22344 B13R1.446 CCNC(=O)c1cc(ccc1I)C 11a_100015525214_100000057929 [0,3,0,0,0,0|0,0,0]=3 22345 B13R1.446 CCNC(=O)c1cc(ccc1I)C 240690a_100015525214_100000057929 [0,3,0,0,0,0|0,0,0]=3 22346 B13R1.446 CCNC(=O)c1cc(ccc1I)C 527a_100015525214_100000057929 [0,3,0,0,0,0|0,0,0]=3 22347 B13R1.446 CCNC(=O)c1cc(ccc1I)Cl 11a_100015525214_100000739379 [0,3,0,0,0,0|1,0,0]=4 22348 B13R1.446 CCNC(=O)c1cc(ccc1I)Cl 240690a_100015525214_100000739379 [0,3,0,0,0,0|1,0,0]=4 22349 B13R1.446 CCNC(=O)c1cc(ccc1I)Cl 527a_100015525214_100000739379 [0,3,0,0,0,0|1,0,0]=4 22350 B13R1.446 CCNC(=O)c1cc(ccc1I)F 11a_100015525214_100000748905 [0,3,0,0,0,0|1,0,0]=4 22351 B13R1.446 CCNC(=O)c1cc(ccc1I)F 240690a_100015525214_100000748905 [0,3,0,0,0,0|1,0,0]=4 22352 B13R1.446 CCNC(=O)c1cc(ccc1I)F 527a_100015525214_100000748905 [0,3,0,0,0,0|1,0,0]=4 22353 B13R1.446 CCNC(=O)c1cc(ccc1I)I 11a_100015525214_100000750460 [0,3,0,0,0,0|1,0,0]=4 22354 B13R1.446 CCNC(=O)c1cc(ccc1I)I 240690a_100015525214_100000750460 [0,3,0,0,0,0|1,0,0]=4 22355 B13R1.446 CCNC(=O)c1cc(ccc1I)I 527a_100015525214_100000750460 [0,3,0,0,0,0|1,0,0]=4 22356 B13R1.446 CCNC(=O)c1cc(ccc1I)O 240690a_100015525214_200009995701 [0,3,0,0,0,0|1,0,0]=4 22357 B13R1.446 CCNC(=O)c1cc(ccc1I)O 527a_100015525214_200009995701 [0,3,0,0,0,0|1,0,0]=4 22358 B13R1.446 CCNC(=O)c1cc(ccc1O)Br 240690a_100015525214_100000212140 [0,3,0,0,0,0|1,0,0]=4 22359 B13R1.446 CCNC(=O)c1cc(ccc1O)Br 527a_100015525214_100000212140 [0,3,0,0,0,0|1,0,0]=4 22360 B13R1.446 CCNC(=O)c1cc(ccc1O)C 240690a_100015525214_100000229998 [0,3,0,0,0,0|0,0,0]=3 22361 B13R1.446 CCNC(=O)c1cc(ccc1O)C 527a_100015525214_100000229998 [0,3,0,0,0,0|0,0,0]=3 22362 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl 11a_100015525214_100000212143 [0,3,0,0,0,0|1,0,0]=4 22363 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl 240690a_100015525214_100000212143 [0,3,0,0,0,0|1,0,0]=4 22364 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl 527a_100015525214_100000212143 [0,3,0,0,0,0|1,0,0]=4 22365 B13R1.446 CCNC(=O)c1cc(ccc1O)F 240690a_100015525214_100000742286 [0,3,0,0,0,0|1,0,0]=4 22366 B13R1.446 CCNC(=O)c1cc(ccc1O)F 527a_100015525214_100000742286 [0,3,0,0,0,0|1,0,0]=4 22367 B13R1.446 CCNC(=O)c1cc(ccc1O)I 240690a_100015525214_100000212111 [0,3,0,0,0,0|1,0,0]=4 22368 B13R1.446 CCNC(=O)c1cc(ccc1O)I 527a_100015525214_100000212111 [0,3,0,0,0,0|1,0,0]=4 22369 B13R1.446 CCOC(=O)c1cc(ccc1Br)O 271570a_203496583355_200012360513 [0,3,0,0,0,0|1,0,0]=4 22370 B13R1.446 CCOC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360117 [0,3,0,0,0,0|1,0,0]=4 22371 B13R1.446 CCOC(=O)c1cc(ccc1Cl)O 271570a_203496583355_200012339456 [0,3,0,0,0,0|1,0,0]=4 22372 B13R1.446 CCOC(=O)c1cc(ccc1F)O 271570a_203496583355_100000716760 [0,3,0,0,0,0|1,0,0]=4 22373 B13R1.446 CCOC(=O)c1cc(ccc1N)O 271570a_203496583355_100000747833 [0,3,0,0,0,0|1,0,0]=4 22374 B13R1.446 CCOC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000171027 [0,3,0,0,0,0|1,0,0]=4 22375 B13R1.446 CCOC(=O)c1cc(ccc1O)C 271570a_203496583355_200012353901 [0,3,0,0,0,0|0,0,0]=3 22376 B13R1.446 CCOC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294803 [0,3,0,0,0,0|1,0,0]=4 22377 B13R1.446 CCOC(=O)c1cc(ccc1O)F 271570a_203496583355_100011206316 [0,3,0,0,0,0|1,0,0]=4 22378 B13R1.446 CCOC(=O)c1cc(ccc1O)O 271570a_203496583355_200000174078 [0,3,0,0,0,0|1,0,0]=4 22379 B13R1.446 CCOC(=O)c1cc(cnc1O)C 271570a_203496583355_100009868943 [0,3,0,0,0,0|1,0,0]=4 22380 B13R1.446 CNCC(=O)c1cc(ccc1Br)Cl 2230a_106832991635_100012361344 [0,3,0,0,0,0|1,0,0]=4 22381 B13R1.446 CNCC(=O)c1cc(ccc1Br)Cl 34a_100102657272_100012361344 [0,3,0,0,0,0|1,0,0]=4 22382 B13R1.446 CNCC(=O)c1cc(ccc1C)C 2230a_106832991635_100000183774 [0,3,0,0,0,0|0,0,0]=3 22383 B13R1.446 CNCC(=O)c1cc(ccc1C)C 34a_100102657272_100000183774 [0,3,0,0,0,0|0,0,0]=3 22384 B13R1.446 CNCC(=O)c1cc(ccc1C)C 7a_106832991635_100000183774 [0,3,0,0,0,0|0,0,0]=3 22385 B13R1.446 CNCC(=O)c1cc(ccc1Cl)Cl 2230a_106832991635_100000183120 [0,3,0,0,0,0|1,0,0]=4 22386 B13R1.446 CNCC(=O)c1cc(ccc1Cl)F 34a_100102657272_200010187420 [0,3,0,0,0,0|1,0,0]=4 22387 B13R1.446 CNCC(=O)c1cc(ccc1F)F 34a_100102657272_100000211571 [0,3,0,0,0,0|1,0,0]=4 22388 B13R1.446 CNCC(=O)c1cc(ccc1F)F 7a_106832991635_100000211571 [0,3,0,0,0,0|1,0,0]=4 22389 B13R1.446 CNCC(=O)c1cc(ccc1O)Br 34a_100102657272_200009828000 [0,3,0,0,0,0|1,0,0]=4 22390 B13R1.446 CNCC(=O)c1cc(ccc1O)Br 7a_106832991635_200009828000 [0,3,0,0,0,0|1,0,0]=4 22391 B13R1.446 CNCC(=O)c1cc(ccc1O)F 34a_100102657272_100009814381 [0,3,0,0,0,0|1,0,0]=4 22392 B13R1.446 CNCC(=O)c1cc(ccc1O)F 7a_106832991635_100000047744 [0,3,0,0,0,0|1,0,0]=4 22393 B13R1.446 CNCC(=O)c1cc(ccc1O)O 34a_100102657272_100009814097 [0,3,0,0,0,0|1,0,0]=4 22394 B13R1.446 CNCC(=O)c1cc(ccc1O)O 7a_106832991635_100009814097 [0,3,0,0,0,0|1,0,0]=4 22395 B13R1.446 CNNC(=O)c1cc(ccc1Br)Br 22a_100016993582_100000690610 [0,3,0,0,0,0|1,0,0]=4 22396 B13R1.446 CNNC(=O)c1cc(ccc1Br)C 22a_100016993582_100000689033 [0,3,0,0,0,0|0,0,0]=3 22397 B13R1.446 CNNC(=O)c1cc(ccc1Br)Cl 22a_100016993582_100000736951 [0,3,0,0,0,0|1,0,0]=4 22398 B13R1.446 CNNC(=O)c1cc(ccc1Br)F 22a_100016993582_100000212315 [0,3,0,0,0,0|1,0,0]=4 22399 B13R1.446 CNNC(=O)c1cc(ccc1Br)I 22a_100016993582_100000698340 [0,3,0,0,0,0|1,0,0]=4 22400 B13R1.446 CNNC(=O)c1cc(ccc1Br)O 22a_100016993582_100012352043 [0,3,0,0,0,0|1,0,0]=4 22401 B13R1.446 CNNC(=O)c1cc(ccc1C)Br 22a_100016993582_100000759961 [0,3,0,0,0,0|1,0,0]=4 22402 B13R1.446 CNNC(=O)c1cc(ccc1C)C 22a_100016993582_100000195421 [0,3,0,0,0,0|0,0,0]=3 22403 B13R1.446 CNNC(=O)c1cc(ccc1C)Cl 22a_100016993582_100000692595 [0,3,0,0,0,0|1,0,0]=4 22404 B13R1.446 CNNC(=O)c1cc(ccc1C)F 22a_100016993582_100000240043 [0,3,0,0,0,0|1,0,0]=4 22405 B13R1.446 CNNC(=O)c1cc(ccc1C)I 22a_100016993582_100000688012 [0,3,0,0,0,0|1,0,0]=4 22406 B13R1.446 CNNC(=O)c1cc(ccc1C)O 22a_100016993582_100000687834 [0,3,0,0,0,0|1,0,0]=4 22407 B13R1.446 CNNC(=O)c1cc(ccc1Cl)Br 22a_100016993582_100000211212 [0,3,0,0,0,0|1,0,0]=4 22408 B13R1.446 CNNC(=O)c1cc(ccc1Cl)C 22a_100016993582_100011290873 [0,3,0,0,0,0|0,0,0]=3 22409 B13R1.446 CNNC(=O)c1cc(ccc1Cl)Cl 22a_100016993582_100000210642 [0,3,0,0,0,0|1,0,0]=4 22410 B13R1.446 CNNC(=O)c1cc(ccc1Cl)F 22a_100016993582_100011219680 [0,3,0,0,0,0|1,0,0]=4 22411 B13R1.446 CNNC(=O)c1cc(ccc1Cl)I 22a_100016993582_100000688013 [0,3,0,0,0,0|1,0,0]=4 22412 B13R1.446 CNNC(=O)c1cc(ccc1Cl)O 22a_100016993582_100000719527 [0,3,0,0,0,0|1,0,0]=4 22413 B13R1.446 CNNC(=O)c1cc(ccc1F)Br 22a_100016993582_100000212322 [0,3,0,0,0,0|1,0,0]=4 22414 B13R1.446 CNNC(=O)c1cc(ccc1F)C 22a_100016993582_100000749327 [0,3,0,0,0,0|0,0,0]=3 22415 B13R1.446 CNNC(=O)c1cc(ccc1F)Cl 22a_100016993582_100000214954 [0,3,0,0,0,0|1,0,0]=4 22416 B13R1.446 CNNC(=O)c1cc(ccc1F)F 22a_100016993582_100000198512 [0,3,0,0,0,0|1,0,0]=4 22417 B13R1.446 CNNC(=O)c1cc(ccc1F)I 22a_100016993582_100000688014 [0,3,0,0,0,0|1,0,0]=4 22418 B13R1.446 CNNC(=O)c1cc(ccc1F)O 22a_100016993582_100000037260 [0,3,0,0,0,0|1,0,0]=4 22419 B13R1.446 CNNC(=O)c1cc(ccc1I)Br 22a_100016993582_100000183945 [0,3,0,0,0,0|1,0,0]=4 22420 B13R1.446 CNNC(=O)c1cc(ccc1I)C 22a_100016993582_100000057929 [0,3,0,0,0,0|0,0,0]=3 22421 B13R1.446 CNNC(=O)c1cc(ccc1I)Cl 22a_100016993582_100000739379 [0,3,0,0,0,0|1,0,0]=4 22422 B13R1.446 CNNC(=O)c1cc(ccc1I)F 22a_100016993582_100000748905 [0,3,0,0,0,0|1,0,0]=4 22423 B13R1.446 CNNC(=O)c1cc(ccc1I)I 22a_100016993582_100000750460 [0,3,0,0,0,0|1,0,0]=4 22424 B13R1.446 CNNC(=O)c1cc(ccc1I)O 22a_100016993582_200009995701 [0,3,0,0,0,0|1,0,0]=4 22425 B13R1.446 CNNC(=O)c1cc(ccc1O)Br 22a_100016993582_100000212140 [0,3,0,0,0,0|1,0,0]=4 22426 B13R1.446 CNNC(=O)c1cc(ccc1O)C 22a_100016993582_100000229998 [0,3,0,0,0,0|0,0,0]=3 22427 B13R1.446 CNNC(=O)c1cc(ccc1O)Cl 22a_100016993582_100000212143 [0,3,0,0,0,0|1,0,0]=4 22428 B13R1.446 CNNC(=O)c1cc(ccc1O)F 22a_100016993582_100000742286 [0,3,0,0,0,0|1,0,0]=4 22429 B13R1.446 CNNC(=O)c1cc(ccc1O)I 22a_100016993582_100000212111 [0,3,0,0,0,0|1,0,0]=4 22430 B13R1.446 COCC(=O)c1cc(ccc1Br)Cl 34a_100138415774_100012361344 [0,3,0,0,0,0|1,0,0]=4 22431 B13R1.446 COCC(=O)c1cc(ccc1C)C 34a_100138415774_100000183774 [0,3,0,0,0,0|0,0,0]=3 22432 B13R1.446 COCC(=O)c1cc(ccc1Cl)F 34a_100138415774_200010187420 [0,3,0,0,0,0|1,0,0]=4 22433 B13R1.446 COCC(=O)c1cc(ccc1F)F 34a_100138415774_100000211571 [0,3,0,0,0,0|1,0,0]=4 22434 B13R1.446 COCC(=O)c1cc(ccc1O)Br 34a_100138415774_200009828000 [0,3,0,0,0,0|1,0,0]=4 22435 B13R1.446 COCC(=O)c1cc(ccc1O)F 34a_100138415774_100009814381 [0,3,0,0,0,0|1,0,0]=4 22436 B13R1.446 COCC(=O)c1cc(ccc1O)O 34a_100138415774_100009814097 [0,3,0,0,0,0|1,0,0]=4 22437 B13R1.446 CSCC(=O)c1cc(ccc1Br)Cl 62a_100012361344_200000210301 [0,3,0,0,0,0|1,0,0]=4 22438 B13R1.446 CSCC(=O)c1cc(ccc1C)C 62a_100000183774_200000210301 [0,3,0,0,0,0|0,0,0]=3 22439 B13R1.446 CSCC(=O)c1cc(ccc1C)C 62a_200000210301_100000183774 [0,3,0,0,0,0|0,0,0]=3 22440 B13R1.446 CSCC(=O)c1cc(ccc1Cl)Cl 62a_100000183120_200000210301 [0,3,0,0,0,0|1,0,0]=4 22441 B13R1.446 CSCC(=O)c1cc(ccc1Cl)F 62a_200000210301_200010187420 [0,3,0,0,0,0|1,0,0]=4 22442 B13R1.446 CSCC(=O)c1cc(ccc1Cl)F 62a_200010187420_200000210301 [0,3,0,0,0,0|1,0,0]=4 22443 B13R1.446 CSCC(=O)c1cc(ccc1F)F 62a_100000211571_200000210301 [0,3,0,0,0,0|1,0,0]=4 22444 B13R1.446 CSCC(=O)c1cc(ccc1F)F 62a_200000210301_100000211571 [0,3,0,0,0,0|1,0,0]=4 22445 B13R1.446 CSCC(=O)c1cc(ccc1O)Br 62a_200009828000_200000210301 [0,3,0,0,0,0|1,0,0]=4 22446 B13R1.446 CSCC(=O)c1cc(ccc1O)Cl 62a_200009816716_200000210301 [0,3,0,0,0,0|1,0,0]=4 22447 B13R1.446 CSCC(=O)c1cc(ccc1O)F 62a_100009814381_200000210301 [0,3,0,0,0,0|1,0,0]=4 22448 B13R1.446 CSCC(=O)c1cc(ccc1O)F 62a_200000210301_100009814381 [0,3,0,0,0,0|1,0,0]=4 22449 B13R1.446 CSCC(=O)c1cc(ccc1O)O 62a_100009814097_200000210301 [0,3,0,0,0,0|1,0,0]=4 22450 B13R1.446 CSCC(=O)c1cc(ccc1O)O 62a_200000210301_100009814097 [0,3,0,0,0,0|1,0,0]=4 22451 B13R1.446 Cc1ccc(c(c1)C(=O)CC#N)Br 1458a_100000689033_100011214920 [0,3,0,0,0,0|0,0,0]=3 22452 B13R1.446 Cc1ccc(c(c1)C(=O)CC#N)C 1458a_100000195421_100011214920 [0,3,0,0,0,0|0,0,0]=3 22453 B13R1.446 Cc1ccc(c(c1)C(=O)CC#N)Cl 1458a_100011290873_100011214920 [0,3,0,0,0,0|0,0,0]=3 22454 B13R1.446 Cc1ccc(c(c1)C(=O)CC#N)F 1458a_100000749327_100011214920 [0,3,0,0,0,0|0,0,0]=3 22455 B13R1.446 Cc1ccc(c(c1)C(=O)CC#N)I 1458a_100000057929_100011214920 [0,3,0,0,0,0|0,0,0]=3 22456 B13R1.446 Cc1ccc(c(c1)C(=O)CC#N)O 1458a_100000229998_100011214920 [0,3,0,0,0,0|0,0,0]=3 22457 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)Br 1458a_100000689033_100011217306 [0,3,0,0,0,0|0,0,0]=3 22458 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)C 1458a_100000195421_100011217306 [0,3,0,0,0,0|0,0,0]=3 22459 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)Cl 1458a_100011290873_100011217306 [0,3,0,0,0,0|0,0,0]=3 22460 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)F 1458a_100000749327_100011217306 [0,3,0,0,0,0|0,0,0]=3 22461 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)I 1458a_100000057929_100011217306 [0,3,0,0,0,0|0,0,0]=3 22462 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)O 1458a_100000229998_100011217306 [0,3,0,0,0,0|0,0,0]=3 22463 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)Br 1458a_100000689033_100000211926 [0,3,0,0,0,0|0,0,0]=3 22464 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)C 1458a_100000195421_100000211926 [0,3,0,0,0,0|0,0,0]=3 22465 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)Cl 1458a_100011290873_100000211926 [0,3,0,0,0,0|0,0,0]=3 22466 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)F 1458a_100000749327_100000211926 [0,3,0,0,0,0|0,0,0]=3 22467 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)I 1458a_100000057929_100000211926 [0,3,0,0,0,0|0,0,0]=3 22468 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)O 1458a_100000229998_100000211926 [0,3,0,0,0,0|0,0,0]=3 22469 B13R1.446 Cc1ccc(c(c1)C(=O)CS[13CH3])C 62a_100000183774_200025704644 [0,3,0,0,0,0|0,0,0]=3 22470 B13R1.446 Cc1ccc(c(c1)C(=O)CS[13CH3])C 62a_200025704644_100000183774 [0,3,0,0,0,0|0,0,0]=3 22471 B13R1.446 Cc1ccc(cc1C(=O)CC#N)Br 1458a_100000759961_100011214920 [0,3,0,0,0,0|1,0,0]=4 22472 B13R1.446 Cc1ccc(cc1C(=O)CC#N)Cl 1458a_100000692595_100011214920 [0,3,0,0,0,0|1,0,0]=4 22473 B13R1.446 Cc1ccc(cc1C(=O)CC#N)F 1458a_100000240043_100011214920 [0,3,0,0,0,0|1,0,0]=4 22474 B13R1.446 Cc1ccc(cc1C(=O)CC#N)I 1458a_100000688012_100011214920 [0,3,0,0,0,0|1,0,0]=4 22475 B13R1.446 Cc1ccc(cc1C(=O)CC#N)O 1458a_100000687834_100011214920 [0,3,0,0,0,0|1,0,0]=4 22476 B13R1.446 Cc1ccc(cc1C(=O)CCF)Br 1458a_100000759961_100011217306 [0,3,0,0,0,0|1,0,0]=4 22477 B13R1.446 Cc1ccc(cc1C(=O)CCF)Cl 1458a_100000692595_100011217306 [0,3,0,0,0,0|1,0,0]=4 22478 B13R1.446 Cc1ccc(cc1C(=O)CCF)F 1458a_100000240043_100011217306 [0,3,0,0,0,0|1,0,0]=4 22479 B13R1.446 Cc1ccc(cc1C(=O)CCF)I 1458a_100000688012_100011217306 [0,3,0,0,0,0|1,0,0]=4 22480 B13R1.446 Cc1ccc(cc1C(=O)CCF)O 1458a_100000687834_100011217306 [0,3,0,0,0,0|1,0,0]=4 22481 B13R1.446 Cc1ccc(cc1C(=O)CCO)Br 1458a_100000759961_100000211926 [0,3,0,0,0,0|1,0,0]=4 22482 B13R1.446 Cc1ccc(cc1C(=O)CCO)Cl 1458a_100000692595_100000211926 [0,3,0,0,0,0|1,0,0]=4 22483 B13R1.446 Cc1ccc(cc1C(=O)CCO)F 1458a_100000240043_100000211926 [0,3,0,0,0,0|1,0,0]=4 22484 B13R1.446 Cc1ccc(cc1C(=O)CCO)I 1458a_100000688012_100000211926 [0,3,0,0,0,0|1,0,0]=4 22485 B13R1.446 Cc1ccc(cc1C(=O)CCO)O 1458a_100000687834_100000211926 [0,3,0,0,0,0|1,0,0]=4 22486 B13R1.446 N#CCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100011214920 [0,3,0,0,0,0|1,0,0]=4 22487 B13R1.446 N#CCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100011214920 [0,3,0,0,0,0|1,0,0]=4 22488 B13R1.446 N#CCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100011214920 [0,3,0,0,0,0|1,0,0]=4 22489 B13R1.446 N#CCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100011214920 [0,3,0,0,0,0|1,0,0]=4 22490 B13R1.446 N#CCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100011214920 [0,3,0,0,0,0|1,0,0]=4 22491 B13R1.446 N#CCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100011214920 [0,3,0,0,0,0|1,0,0]=4 22492 B13R1.446 N#CCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100011214920 [0,3,0,0,0,0|1,0,0]=4 22493 B13R1.446 N#CCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100011214920 [0,3,0,0,0,0|1,0,0]=4 22494 B13R1.446 N#CCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100011214920 [0,3,0,0,0,0|1,0,0]=4 22495 B13R1.446 N#CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100011214920 [0,3,0,0,0,0|1,0,0]=4 22496 B13R1.446 N#CCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100011214920 [0,3,0,0,0,0|1,0,0]=4 22497 B13R1.446 N#CCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100011214920 [0,3,0,0,0,0|1,0,0]=4 22498 B13R1.446 N#CCC(=O)c1cc(ccc1F)F 1458a_100000198512_100011214920 [0,3,0,0,0,0|1,0,0]=4 22499 B13R1.446 N#CCC(=O)c1cc(ccc1F)I 1458a_100000688014_100011214920 [0,3,0,0,0,0|1,0,0]=4 22500 B13R1.446 N#CCC(=O)c1cc(ccc1F)O 1458a_100000037260_100011214920 [0,3,0,0,0,0|1,0,0]=4 22501 B13R1.446 N#CCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100011214920 [0,3,0,0,0,0|1,0,0]=4 22502 B13R1.446 N#CCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100011214920 [0,3,0,0,0,0|1,0,0]=4 22503 B13R1.446 N#CCC(=O)c1cc(ccc1I)F 1458a_100000748905_100011214920 [0,3,0,0,0,0|1,0,0]=4 22504 B13R1.446 N#CCC(=O)c1cc(ccc1I)I 1458a_100000750460_100011214920 [0,3,0,0,0,0|1,0,0]=4 22505 B13R1.446 N#CCC(=O)c1cc(ccc1I)O 1458a_200009995701_100011214920 [0,3,0,0,0,0|1,0,0]=4 22506 B13R1.446 N#CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100011214920 [0,3,0,0,0,0|1,0,0]=4 22507 B13R1.446 N#CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100011214920 [0,3,0,0,0,0|1,0,0]=4 22508 B13R1.446 N#CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100011214920 [0,3,0,0,0,0|1,0,0]=4 22509 B13R1.446 N#CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100011214920 [0,3,0,0,0,0|1,0,0]=4 22510 B13R1.446 N#CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100011214920 [0,3,0,0,0,0|1,0,0]=4 22511 B13R1.446 O=C(CCF)c1cc(ccc1Br)Br 1458a_100000690610_100011217306 [0,3,0,0,0,0|1,0,0]=4 22512 B13R1.446 O=C(CCF)c1cc(ccc1Br)Cl 1458a_100000736951_100011217306 [0,3,0,0,0,0|1,0,0]=4 22513 B13R1.446 O=C(CCF)c1cc(ccc1Br)F 1458a_100000212315_100011217306 [0,3,0,0,0,0|1,0,0]=4 22514 B13R1.446 O=C(CCF)c1cc(ccc1Br)I 1458a_100000698340_100011217306 [0,3,0,0,0,0|1,0,0]=4 22515 B13R1.446 O=C(CCF)c1cc(ccc1Br)O 1458a_100012352043_100011217306 [0,3,0,0,0,0|1,0,0]=4 22516 B13R1.446 O=C(CCF)c1cc(ccc1Cl)Br 1458a_100000211212_100011217306 [0,3,0,0,0,0|1,0,0]=4 22517 B13R1.446 O=C(CCF)c1cc(ccc1Cl)Cl 1458a_100000210642_100011217306 [0,3,0,0,0,0|1,0,0]=4 22518 B13R1.446 O=C(CCF)c1cc(ccc1Cl)F 1458a_100011219680_100011217306 [0,3,0,0,0,0|1,0,0]=4 22519 B13R1.446 O=C(CCF)c1cc(ccc1Cl)I 1458a_100000688013_100011217306 [0,3,0,0,0,0|1,0,0]=4 22520 B13R1.446 O=C(CCF)c1cc(ccc1Cl)O 1458a_100000719527_100011217306 [0,3,0,0,0,0|1,0,0]=4 22521 B13R1.446 O=C(CCF)c1cc(ccc1F)Br 1458a_100000212322_100011217306 [0,3,0,0,0,0|1,0,0]=4 22522 B13R1.446 O=C(CCF)c1cc(ccc1F)Cl 1458a_100000214954_100011217306 [0,3,0,0,0,0|1,0,0]=4 22523 B13R1.446 O=C(CCF)c1cc(ccc1F)F 1458a_100000198512_100011217306 [0,3,0,0,0,0|1,0,0]=4 22524 B13R1.446 O=C(CCF)c1cc(ccc1F)I 1458a_100000688014_100011217306 [0,3,0,0,0,0|1,0,0]=4 22525 B13R1.446 O=C(CCF)c1cc(ccc1F)O 1458a_100000037260_100011217306 [0,3,0,0,0,0|1,0,0]=4 22526 B13R1.446 O=C(CCF)c1cc(ccc1I)Br 1458a_100000183945_100011217306 [0,3,0,0,0,0|1,0,0]=4 22527 B13R1.446 O=C(CCF)c1cc(ccc1I)Cl 1458a_100000739379_100011217306 [0,3,0,0,0,0|1,0,0]=4 22528 B13R1.446 O=C(CCF)c1cc(ccc1I)F 1458a_100000748905_100011217306 [0,3,0,0,0,0|1,0,0]=4 22529 B13R1.446 O=C(CCF)c1cc(ccc1I)I 1458a_100000750460_100011217306 [0,3,0,0,0,0|1,0,0]=4 22530 B13R1.446 O=C(CCF)c1cc(ccc1I)O 1458a_200009995701_100011217306 [0,3,0,0,0,0|1,0,0]=4 22531 B13R1.446 O=C(CCF)c1cc(ccc1O)Br 1458a_100000212140_100011217306 [0,3,0,0,0,0|1,0,0]=4 22532 B13R1.446 O=C(CCF)c1cc(ccc1O)Cl 1458a_100000212143_100011217306 [0,3,0,0,0,0|1,0,0]=4 22533 B13R1.446 O=C(CCF)c1cc(ccc1O)F 1458a_100000742286_100011217306 [0,3,0,0,0,0|1,0,0]=4 22534 B13R1.446 O=C(CCF)c1cc(ccc1O)I 1458a_100000212111_100011217306 [0,3,0,0,0,0|1,0,0]=4 22535 B13R1.446 O=C(CCF)c1cc(ccc1O)O 1458a_100000758025_100011217306 [0,3,0,0,0,0|1,0,0]=4 22536 B13R1.446 O=C(CCO)c1cc(ccc1Br)Br 1458a_100000690610_100000211926 [0,3,0,0,0,0|1,0,0]=4 22537 B13R1.446 O=C(CCO)c1cc(ccc1Br)Cl 1458a_100000736951_100000211926 [0,3,0,0,0,0|1,0,0]=4 22538 B13R1.446 O=C(CCO)c1cc(ccc1Br)F 1458a_100000212315_100000211926 [0,3,0,0,0,0|1,0,0]=4 22539 B13R1.446 O=C(CCO)c1cc(ccc1Br)I 1458a_100000698340_100000211926 [0,3,0,0,0,0|1,0,0]=4 22540 B13R1.446 O=C(CCO)c1cc(ccc1Br)O 1458a_100012352043_100000211926 [0,3,0,0,0,0|1,0,0]=4 22541 B13R1.446 O=C(CCO)c1cc(ccc1Cl)Br 1458a_100000211212_100000211926 [0,3,0,0,0,0|1,0,0]=4 22542 B13R1.446 O=C(CCO)c1cc(ccc1Cl)Cl 1458a_100000210642_100000211926 [0,3,0,0,0,0|1,0,0]=4 22543 B13R1.446 O=C(CCO)c1cc(ccc1Cl)F 1458a_100011219680_100000211926 [0,3,0,0,0,0|1,0,0]=4 22544 B13R1.446 O=C(CCO)c1cc(ccc1Cl)I 1458a_100000688013_100000211926 [0,3,0,0,0,0|1,0,0]=4 22545 B13R1.446 O=C(CCO)c1cc(ccc1Cl)O 1458a_100000719527_100000211926 [0,3,0,0,0,0|1,0,0]=4 22546 B13R1.446 O=C(CCO)c1cc(ccc1F)Br 1458a_100000212322_100000211926 [0,3,0,0,0,0|1,0,0]=4 22547 B13R1.446 O=C(CCO)c1cc(ccc1F)Cl 1458a_100000214954_100000211926 [0,3,0,0,0,0|1,0,0]=4 22548 B13R1.446 O=C(CCO)c1cc(ccc1F)F 1458a_100000198512_100000211926 [0,3,0,0,0,0|1,0,0]=4 22549 B13R1.446 O=C(CCO)c1cc(ccc1F)I 1458a_100000688014_100000211926 [0,3,0,0,0,0|1,0,0]=4 22550 B13R1.446 O=C(CCO)c1cc(ccc1F)O 1458a_100000037260_100000211926 [0,3,0,0,0,0|1,0,0]=4 22551 B13R1.446 O=C(CCO)c1cc(ccc1I)Br 1458a_100000183945_100000211926 [0,3,0,0,0,0|1,0,0]=4 22552 B13R1.446 O=C(CCO)c1cc(ccc1I)Cl 1458a_100000739379_100000211926 [0,3,0,0,0,0|1,0,0]=4 22553 B13R1.446 O=C(CCO)c1cc(ccc1I)F 1458a_100000748905_100000211926 [0,3,0,0,0,0|1,0,0]=4 22554 B13R1.446 O=C(CCO)c1cc(ccc1I)I 1458a_100000750460_100000211926 [0,3,0,0,0,0|1,0,0]=4 22555 B13R1.446 O=C(CCO)c1cc(ccc1I)O 1458a_200009995701_100000211926 [0,3,0,0,0,0|1,0,0]=4 22556 B13R1.446 O=C(CCO)c1cc(ccc1O)Br 1458a_100000212140_100000211926 [0,3,0,0,0,0|1,0,0]=4 22557 B13R1.446 O=C(CCO)c1cc(ccc1O)Cl 1458a_100000212143_100000211926 [0,3,0,0,0,0|1,0,0]=4 22558 B13R1.446 O=C(CCO)c1cc(ccc1O)F 1458a_100000742286_100000211926 [0,3,0,0,0,0|1,0,0]=4 22559 B13R1.446 O=C(CCO)c1cc(ccc1O)I 1458a_100000212111_100000211926 [0,3,0,0,0,0|1,0,0]=4 22560 B13R1.446 O=C(CCO)c1cc(ccc1O)O 1458a_100000758025_100000211926 [0,3,0,0,0,0|1,0,0]=4 22561 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1Br)Cl 62a_100012361344_200025704644 [0,3,0,0,0,0|1,0,0]=4 22562 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1Cl)Cl 62a_100000183120_200025704644 [0,3,0,0,0,0|1,0,0]=4 22563 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1Cl)F 62a_200010187420_200025704644 [0,3,0,0,0,0|1,0,0]=4 22564 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1Cl)F 62a_200025704644_200010187420 [0,3,0,0,0,0|1,0,0]=4 22565 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1F)F 62a_100000211571_200025704644 [0,3,0,0,0,0|1,0,0]=4 22566 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1F)F 62a_200025704644_100000211571 [0,3,0,0,0,0|1,0,0]=4 22567 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)Br 62a_200009828000_200025704644 [0,3,0,0,0,0|1,0,0]=4 22568 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)Cl 62a_200009816716_200025704644 [0,3,0,0,0,0|1,0,0]=4 22569 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)F 62a_100009814381_200025704644 [0,3,0,0,0,0|1,0,0]=4 22570 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)F 62a_200025704644_100009814381 [0,3,0,0,0,0|1,0,0]=4 22571 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)O 62a_100009814097_200025704644 [0,3,0,0,0,0|1,0,0]=4 22572 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)O 62a_200025704644_100009814097 [0,3,0,0,0,0|1,0,0]=4 22573 B13R1.450 C#CCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000184674 [0,3,0,0,0,0|1,0,0]=4 22574 B13R1.450 C#CCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000184674 [0,3,0,0,0,0|0,0,0]=3 22575 B13R1.450 C#CCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000184674 [0,3,0,0,0,0|1,0,0]=4 22576 B13R1.450 C#CCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000184674 [0,3,0,0,0,0|1,0,0]=4 22577 B13R1.450 C#CCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000184674 [0,3,0,0,0,0|1,0,0]=4 22578 B13R1.450 C#CCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000184674 [0,3,0,0,0,0|0,0,0]=3 22579 B13R1.450 C#CCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000184674 [0,3,0,0,0,0|0,0,0]=3 22580 B13R1.450 C#CCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000184674 [0,3,0,0,0,0|1,0,0]=4 22581 B13R1.450 C#CCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000184674 [0,3,0,0,0,0|1,0,0]=4 22582 B13R1.450 C#CCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000184674 [0,3,0,0,0,0|1,0,0]=4 22583 B13R1.450 C#CCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000184674 [0,3,0,0,0,0|0,0,0]=3 22584 B13R1.450 C#CCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000184674 [0,3,0,0,0,0|1,0,0]=4 22585 B13R1.450 C#CCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000184674 [0,3,0,0,0,0|1,0,0]=4 22586 B13R1.450 C#CCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000184674 [0,3,0,0,0,0|1,0,0]=4 22587 B13R1.450 C#CCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000184674 [0,3,0,0,0,0|0,0,0]=3 22588 B13R1.450 C#CCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000184674 [0,3,0,0,0,0|1,0,0]=4 22589 B13R1.450 C#CCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000184674 [0,3,0,0,0,0|1,0,0]=4 22590 B13R1.450 C#CCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000184674 [0,3,0,0,0,0|1,0,0]=4 22591 B13R1.450 C#CCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000184674 [0,3,0,0,0,0|0,0,0]=3 22592 B13R1.450 C=CCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000210623 [0,3,0,0,0,0|1,0,0]=4 22593 B13R1.450 C=CCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210623 [0,3,0,0,0,0|0,0,0]=3 22594 B13R1.450 C=CCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000210623 [0,3,0,0,0,0|1,0,0]=4 22595 B13R1.450 C=CCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000210623 [0,3,0,0,0,0|1,0,0]=4 22596 B13R1.450 C=CCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210623 [0,3,0,0,0,0|1,0,0]=4 22597 B13R1.450 C=CCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210623 [0,3,0,0,0,0|0,0,0]=3 22598 B13R1.450 C=CCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210623 [0,3,0,0,0,0|0,0,0]=3 22599 B13R1.450 C=CCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000210623 [0,3,0,0,0,0|1,0,0]=4 22600 B13R1.450 C=CCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000210623 [0,3,0,0,0,0|1,0,0]=4 22601 B13R1.450 C=CCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210623 [0,3,0,0,0,0|1,0,0]=4 22602 B13R1.450 C=CCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210623 [0,3,0,0,0,0|0,0,0]=3 22603 B13R1.450 C=CCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000210623 [0,3,0,0,0,0|1,0,0]=4 22604 B13R1.450 C=CCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210623 [0,3,0,0,0,0|1,0,0]=4 22605 B13R1.450 C=CCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000210623 [0,3,0,0,0,0|1,0,0]=4 22606 B13R1.450 C=CCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210623 [0,3,0,0,0,0|0,0,0]=3 22607 B13R1.450 C=CCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000210623 [0,3,0,0,0,0|1,0,0]=4 22608 B13R1.450 C=CCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000210623 [0,3,0,0,0,0|1,0,0]=4 22609 B13R1.450 C=CCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000210623 [0,3,0,0,0,0|1,0,0]=4 22610 B13R1.450 C=CCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210623 [0,3,0,0,0,0|0,0,0]=3 22611 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000210303 [0,3,0,0,0,0|1,0,0]=4 22612 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210303 [0,3,0,0,0,0|0,0,0]=3 22613 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000210303 [0,3,0,0,0,0|1,0,0]=4 22614 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000210303 [0,3,0,0,0,0|1,0,0]=4 22615 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210303 [0,3,0,0,0,0|1,0,0]=4 22616 B13R1.450 CCCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210303 [0,3,0,0,0,0|0,0,0]=3 22617 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210303 [0,3,0,0,0,0|0,0,0]=3 22618 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000210303 [0,3,0,0,0,0|1,0,0]=4 22619 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000210303 [0,3,0,0,0,0|1,0,0]=4 22620 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210303 [0,3,0,0,0,0|1,0,0]=4 22621 B13R1.450 CCCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210303 [0,3,0,0,0,0|0,0,0]=3 22622 B13R1.450 CCCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000210303 [0,3,0,0,0,0|1,0,0]=4 22623 B13R1.450 CCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210303 [0,3,0,0,0,0|1,0,0]=4 22624 B13R1.450 CCCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000210303 [0,3,0,0,0,0|1,0,0]=4 22625 B13R1.450 CCCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210303 [0,3,0,0,0,0|0,0,0]=3 22626 B13R1.450 CCCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000210303 [0,3,0,0,0,0|1,0,0]=4 22627 B13R1.450 CCCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000210303 [0,3,0,0,0,0|1,0,0]=4 22628 B13R1.450 CCCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000210303 [0,3,0,0,0,0|1,0,0]=4 22629 B13R1.450 CCCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210303 [0,3,0,0,0,0|0,0,0]=3 22630 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Br 11a_100015525214_100000687083 [0,3,0,0,0,0|1,0,0]=4 22631 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Br 240690a_100015525214_100000687083 [0,3,0,0,0,0|1,0,0]=4 22632 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Br 527a_100015525214_100000687083 [0,3,0,0,0,0|1,0,0]=4 22633 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)C 11a_100015525214_100000760426 [0,3,0,0,0,0|0,0,0]=3 22634 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)C 240690a_100015525214_100000760426 [0,3,0,0,0,0|0,0,0]=3 22635 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)C 527a_100015525214_100000760426 [0,3,0,0,0,0|0,0,0]=3 22636 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Cl 11a_100015525214_100000687899 [0,3,0,0,0,0|1,0,0]=4 22637 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Cl 240690a_100015525214_100000687899 [0,3,0,0,0,0|1,0,0]=4 22638 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Cl 527a_100015525214_100000687899 [0,3,0,0,0,0|1,0,0]=4 22639 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)F 11a_100015525214_100000739618 [0,3,0,0,0,0|1,0,0]=4 22640 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)F 240690a_100015525214_100000739618 [0,3,0,0,0,0|1,0,0]=4 22641 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)F 527a_100015525214_100000739618 [0,3,0,0,0,0|1,0,0]=4 22642 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)O 240690a_100015525214_100011934545 [0,3,0,0,0,0|1,0,0]=4 22643 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)O 527a_100015525214_100011934545 [0,3,0,0,0,0|1,0,0]=4 22644 B13R1.450 CCNC(=O)c1cc(cc(c1)C)C 11a_100015525214_100000210874 [0,3,0,0,0,0|0,0,0]=3 22645 B13R1.450 CCNC(=O)c1cc(cc(c1)C)C 240690a_100015525214_100000210874 [0,3,0,0,0,0|0,0,0]=3 22646 B13R1.450 CCNC(=O)c1cc(cc(c1)C)C 527a_100015525214_100000210874 [0,3,0,0,0,0|0,0,0]=3 22647 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)C 11a_100015525214_100000684526 [0,3,0,0,0,0|0,0,0]=3 22648 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)C 240690a_100015525214_100000684526 [0,3,0,0,0,0|0,0,0]=3 22649 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)C 527a_100015525214_100000684526 [0,3,0,0,0,0|0,0,0]=3 22650 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)Cl 11a_100015525214_100000210701 [0,3,0,0,0,0|1,0,0]=4 22651 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100015525214_100000210701 [0,3,0,0,0,0|1,0,0]=4 22652 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)Cl 527a_100015525214_100000210701 [0,3,0,0,0,0|1,0,0]=4 22653 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)F 11a_100015525214_100000685768 [0,3,0,0,0,0|1,0,0]=4 22654 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)F 240690a_100015525214_100000685768 [0,3,0,0,0,0|1,0,0]=4 22655 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)F 527a_100015525214_100000685768 [0,3,0,0,0,0|1,0,0]=4 22656 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)O 240690a_100015525214_100011997059 [0,3,0,0,0,0|1,0,0]=4 22657 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)O 527a_100015525214_100011997059 [0,3,0,0,0,0|1,0,0]=4 22658 B13R1.450 CCNC(=O)c1cc(cc(c1)F)C 11a_100015525214_100000763163 [0,3,0,0,0,0|0,0,0]=3 22659 B13R1.450 CCNC(=O)c1cc(cc(c1)F)C 240690a_100015525214_100000763163 [0,3,0,0,0,0|0,0,0]=3 22660 B13R1.450 CCNC(=O)c1cc(cc(c1)F)C 527a_100015525214_100000763163 [0,3,0,0,0,0|0,0,0]=3 22661 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F 11a_100015525214_100000211655 [0,3,0,0,0,0|1,0,0]=4 22662 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F 240690a_100015525214_100000211655 [0,3,0,0,0,0|1,0,0]=4 22663 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F 527a_100015525214_100000211655 [0,3,0,0,0,0|1,0,0]=4 22664 B13R1.450 CCNC(=O)c1cc(cc(c1)F)O 11a_100015525214_100012017291 [0,3,0,0,0,0|1,0,0]=4 22665 B13R1.450 CCNC(=O)c1cc(cc(c1)F)O 240690a_100015525214_100012017291 [0,3,0,0,0,0|1,0,0]=4 22666 B13R1.450 CCNC(=O)c1cc(cc(c1)F)O 527a_100015525214_100012017291 [0,3,0,0,0,0|1,0,0]=4 22667 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Br 11a_100015525214_100000689235 [0,3,0,0,0,0|1,0,0]=4 22668 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Br 240690a_100015525214_100000689235 [0,3,0,0,0,0|1,0,0]=4 22669 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Br 527a_100015525214_100000689235 [0,3,0,0,0,0|1,0,0]=4 22670 B13R1.450 CCNC(=O)c1cc(cc(c1)I)C 11a_100015525214_100000729426 [0,3,0,0,0,0|0,0,0]=3 22671 B13R1.450 CCNC(=O)c1cc(cc(c1)I)C 240690a_100015525214_100000729426 [0,3,0,0,0,0|0,0,0]=3 22672 B13R1.450 CCNC(=O)c1cc(cc(c1)I)C 527a_100015525214_100000729426 [0,3,0,0,0,0|0,0,0]=3 22673 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Cl 11a_100015525214_100012047205 [0,3,0,0,0,0|1,0,0]=4 22674 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Cl 240690a_100015525214_100012047205 [0,3,0,0,0,0|1,0,0]=4 22675 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Cl 527a_100015525214_100012047205 [0,3,0,0,0,0|1,0,0]=4 22676 B13R1.450 CCNC(=O)c1cc(cc(c1)I)F 11a_100015525214_100012047268 [0,3,0,0,0,0|1,0,0]=4 22677 B13R1.450 CCNC(=O)c1cc(cc(c1)I)F 240690a_100015525214_100012047268 [0,3,0,0,0,0|1,0,0]=4 22678 B13R1.450 CCNC(=O)c1cc(cc(c1)I)F 527a_100015525214_100012047268 [0,3,0,0,0,0|1,0,0]=4 22679 B13R1.450 CCNC(=O)c1cc(cc(c1)I)I 11a_100015525214_100011204819 [0,3,0,0,0,0|1,0,0]=4 22680 B13R1.450 CCNC(=O)c1cc(cc(c1)I)I 240690a_100015525214_100011204819 [0,3,0,0,0,0|1,0,0]=4 22681 B13R1.450 CCNC(=O)c1cc(cc(c1)I)I 527a_100015525214_100011204819 [0,3,0,0,0,0|1,0,0]=4 22682 B13R1.450 CCNC(=O)c1cc(cc(c1)O)C 240690a_100015525214_100000094094 [0,3,0,0,0,0|0,0,0]=3 22683 B13R1.450 CCNC(=O)c1cc(cc(c1)O)C 527a_100015525214_100000094094 [0,3,0,0,0,0|0,0,0]=3 22684 B13R1.450 CCNC(=O)c1cc(cc(c1)O)O 240690a_100015525214_100000690292 [0,3,0,0,0,0|1,0,0]=4 22685 B13R1.450 CCNC(=O)c1cc(cc(c1)O)O 527a_100015525214_100000690292 [0,3,0,0,0,0|1,0,0]=4 22686 B13R1.450 CCOC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_200012351389 [0,3,0,0,0,0|1,0,0]=4 22687 B13R1.450 CCOC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011295119 [0,3,0,0,0,0|1,0,0]=4 22688 B13R1.450 CCOC(=O)c1cc(cc(n1)C)O 271570a_203496583355_100010743377 [0,3,0,0,0,0|1,0,0]=4 22689 B13R1.450 CCOC(=O)c1cc(cc(n1)O)C 271570a_203496583355_200000094552 [0,3,0,0,0,0|1,0,0]=4 22690 B13R1.450 CCOC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100011830423 [0,3,0,0,0,0|1,0,0]=4 22691 B13R1.450 CNCC(=O)c1cc(cc(c1)Cl)Cl 2230a_106832991635_200012340517 [0,3,0,0,0,0|1,0,0]=4 22692 B13R1.450 CNCC(=O)c1cc(cc(c1)Cl)Cl 34a_100102657272_200012340517 [0,3,0,0,0,0|1,0,0]=4 22693 B13R1.450 CNCC(=O)c1cc(cc(c1)Cl)Cl 7a_106832991635_200012340517 [0,3,0,0,0,0|1,0,0]=4 22694 B13R1.450 CNCC(=O)c1cc(cc(c1)F)F 2230a_106832991635_100011216790 [0,3,0,0,0,0|1,0,0]=4 22695 B13R1.450 CNCC(=O)c1cc(cc(c1)F)F 34a_100102657272_100011216790 [0,3,0,0,0,0|1,0,0]=4 22696 B13R1.450 CNCC(=O)c1cc(cc(c1)F)F 7a_106832991635_100011216790 [0,3,0,0,0,0|1,0,0]=4 22697 B13R1.450 CNCC(=O)c1cc(cc(c1)O)O 2230a_106832991635_100010006762 [0,3,0,0,0,0|1,0,0]=4 22698 B13R1.450 CNCC(=O)c1cc(cc(c1)O)O 34a_100102657272_100010006762 [0,3,0,0,0,0|1,0,0]=4 22699 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)Br 22a_100016993582_100000687083 [0,3,0,0,0,0|1,0,0]=4 22700 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)C 22a_100016993582_100000760426 [0,3,0,0,0,0|0,0,0]=3 22701 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)Cl 22a_100016993582_100000687899 [0,3,0,0,0,0|1,0,0]=4 22702 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)F 22a_100016993582_100000739618 [0,3,0,0,0,0|1,0,0]=4 22703 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)O 22a_100016993582_100011934545 [0,3,0,0,0,0|1,0,0]=4 22704 B13R1.450 CNNC(=O)c1cc(cc(c1)C)C 22a_100016993582_100000210874 [0,3,0,0,0,0|0,0,0]=3 22705 B13R1.450 CNNC(=O)c1cc(cc(c1)Cl)C 22a_100016993582_100000684526 [0,3,0,0,0,0|0,0,0]=3 22706 B13R1.450 CNNC(=O)c1cc(cc(c1)Cl)Cl 22a_100016993582_100000210701 [0,3,0,0,0,0|1,0,0]=4 22707 B13R1.450 CNNC(=O)c1cc(cc(c1)Cl)F 22a_100016993582_100000685768 [0,3,0,0,0,0|1,0,0]=4 22708 B13R1.450 CNNC(=O)c1cc(cc(c1)Cl)O 22a_100016993582_100011997059 [0,3,0,0,0,0|1,0,0]=4 22709 B13R1.450 CNNC(=O)c1cc(cc(c1)F)C 22a_100016993582_100000763163 [0,3,0,0,0,0|0,0,0]=3 22710 B13R1.450 CNNC(=O)c1cc(cc(c1)F)F 22a_100016993582_100000211655 [0,3,0,0,0,0|1,0,0]=4 22711 B13R1.450 CNNC(=O)c1cc(cc(c1)F)O 22a_100016993582_100012017291 [0,3,0,0,0,0|1,0,0]=4 22712 B13R1.450 CNNC(=O)c1cc(cc(c1)I)Br 22a_100016993582_100000689235 [0,3,0,0,0,0|1,0,0]=4 22713 B13R1.450 CNNC(=O)c1cc(cc(c1)I)C 22a_100016993582_100000729426 [0,3,0,0,0,0|0,0,0]=3 22714 B13R1.450 CNNC(=O)c1cc(cc(c1)I)Cl 22a_100016993582_100012047205 [0,3,0,0,0,0|1,0,0]=4 22715 B13R1.450 CNNC(=O)c1cc(cc(c1)I)F 22a_100016993582_100012047268 [0,3,0,0,0,0|1,0,0]=4 22716 B13R1.450 CNNC(=O)c1cc(cc(c1)I)I 22a_100016993582_100011204819 [0,3,0,0,0,0|1,0,0]=4 22717 B13R1.450 CNNC(=O)c1cc(cc(c1)O)C 22a_100016993582_100000094094 [0,3,0,0,0,0|0,0,0]=3 22718 B13R1.450 CNNC(=O)c1cc(cc(c1)O)O 22a_100016993582_100000690292 [0,3,0,0,0,0|1,0,0]=4 22719 B13R1.450 COCC(=O)c1cc(cc(c1)Cl)Cl 34a_100138415774_200012340517 [0,3,0,0,0,0|1,0,0]=4 22720 B13R1.450 COCC(=O)c1cc(cc(c1)F)F 34a_100012568930_200000210301 [0,3,0,0,0,0|1,0,0]=4 22721 B13R1.450 COCC(=O)c1cc(cc(c1)F)F 34a_100138415774_100011216790 [0,3,0,0,0,0|1,0,0]=4 22722 B13R1.450 COCC(=O)c1cc(cc(c1)F)F 7a_100012568930_200000210301 [0,3,0,0,0,0|1,0,0]=4 22723 B13R1.450 COCC(=O)c1cc(cc(c1)O)O 34a_100138415774_100010006762 [0,3,0,0,0,0|1,0,0]=4 22724 B13R1.450 CSCC(=O)c1cc(cc(c1)Cl)Cl 62a_200000210301_200012340517 [0,3,0,0,0,0|1,0,0]=4 22725 B13R1.450 CSCC(=O)c1cc(cc(c1)Cl)Cl 62a_200012340517_200000210301 [0,3,0,0,0,0|1,0,0]=4 22726 B13R1.450 CSCC(=O)c1cc(cc(c1)F)F 62a_100011216790_200000210301 [0,3,0,0,0,0|1,0,0]=4 22727 B13R1.450 CSCC(=O)c1cc(cc(c1)F)F 62a_200000210301_100011216790 [0,3,0,0,0,0|1,0,0]=4 22728 B13R1.450 CSCC(=O)c1cc(cc(c1)O)O 62a_100010006762_200000210301 [0,3,0,0,0,0|1,0,0]=4 22729 B13R1.450 CSCC(=O)c1cc(cc(c1)O)O 62a_200000210301_100010006762 [0,3,0,0,0,0|1,0,0]=4 22730 B13R1.450 Cc1cc(cc(c1)C(=O)CC#N)Br 1458a_100000760426_100011214920 [0,3,0,0,0,0|0,0,0]=3 22731 B13R1.450 Cc1cc(cc(c1)C(=O)CC#N)C 1458a_100000210874_100011214920 [0,3,0,0,0,0|0,0,0]=3 22732 B13R1.450 Cc1cc(cc(c1)C(=O)CC#N)Cl 1458a_100000684526_100011214920 [0,3,0,0,0,0|0,0,0]=3 22733 B13R1.450 Cc1cc(cc(c1)C(=O)CC#N)F 1458a_100000763163_100011214920 [0,3,0,0,0,0|0,0,0]=3 22734 B13R1.450 Cc1cc(cc(c1)C(=O)CC#N)I 1458a_100000729426_100011214920 [0,3,0,0,0,0|0,0,0]=3 22735 B13R1.450 Cc1cc(cc(c1)C(=O)CC#N)O 1458a_100000094094_100011214920 [0,3,0,0,0,0|0,0,0]=3 22736 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)Br 1458a_100000760426_100011217306 [0,3,0,0,0,0|0,0,0]=3 22737 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)C 1458a_100000210874_100011217306 [0,3,0,0,0,0|0,0,0]=3 22738 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)Cl 1458a_100000684526_100011217306 [0,3,0,0,0,0|0,0,0]=3 22739 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)F 1458a_100000763163_100011217306 [0,3,0,0,0,0|0,0,0]=3 22740 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)I 1458a_100000729426_100011217306 [0,3,0,0,0,0|0,0,0]=3 22741 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)O 1458a_100000094094_100011217306 [0,3,0,0,0,0|0,0,0]=3 22742 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)Br 1458a_100000760426_100000211926 [0,3,0,0,0,0|0,0,0]=3 22743 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)C 1458a_100000210874_100000211926 [0,3,0,0,0,0|0,0,0]=3 22744 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)Cl 1458a_100000684526_100000211926 [0,3,0,0,0,0|0,0,0]=3 22745 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)F 1458a_100000763163_100000211926 [0,3,0,0,0,0|0,0,0]=3 22746 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)I 1458a_100000729426_100000211926 [0,3,0,0,0,0|0,0,0]=3 22747 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)O 1458a_100000094094_100000211926 [0,3,0,0,0,0|0,0,0]=3 22748 B13R1.450 Cc1cc(cc(c1)N(C)CC=O)F 2230a_103496528823_200015260668 [0,3,0,0,0,0|1,0,0]=4 22749 B13R1.450 Cc1cc(cc(c1)N(C)CC=O)F 269982a_103496528823_200015260668 [0,3,0,0,0,0|1,0,0]=4 22750 B13R1.450 Cc1cc(cc(c1)N(C)CC=O)F 34a_103496528823_200009817547 [0,3,0,0,0,0|1,0,0]=4 22751 B13R1.450 Cc1cc(cc(c1)N(C)CC=O)F 7a_103496528823_200015260668 [0,3,0,0,0,0|1,0,0]=4 22752 B13R1.450 N#CCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100011214920 [0,3,0,0,0,0|1,0,0]=4 22753 B13R1.450 N#CCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100011214920 [0,3,0,0,0,0|1,0,0]=4 22754 B13R1.450 N#CCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100011214920 [0,3,0,0,0,0|1,0,0]=4 22755 B13R1.450 N#CCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100011214920 [0,3,0,0,0,0|1,0,0]=4 22756 B13R1.450 N#CCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100011214920 [0,3,0,0,0,0|1,0,0]=4 22757 B13R1.450 N#CCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100011214920 [0,3,0,0,0,0|1,0,0]=4 22758 B13R1.450 N#CCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100011214920 [0,3,0,0,0,0|1,0,0]=4 22759 B13R1.450 N#CCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100011214920 [0,3,0,0,0,0|1,0,0]=4 22760 B13R1.450 N#CCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100011214920 [0,3,0,0,0,0|1,0,0]=4 22761 B13R1.450 N#CCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100011214920 [0,3,0,0,0,0|1,0,0]=4 22762 B13R1.450 N#CCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100011214920 [0,3,0,0,0,0|1,0,0]=4 22763 B13R1.450 N#CCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100011214920 [0,3,0,0,0,0|1,0,0]=4 22764 B13R1.450 N#CCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100011214920 [0,3,0,0,0,0|1,0,0]=4 22765 B13R1.450 O=C(CCF)c1cc(cc(c1)Br)Br 1458a_100000687083_100011217306 [0,3,0,0,0,0|1,0,0]=4 22766 B13R1.450 O=C(CCF)c1cc(cc(c1)Br)Cl 1458a_100000687899_100011217306 [0,3,0,0,0,0|1,0,0]=4 22767 B13R1.450 O=C(CCF)c1cc(cc(c1)Br)F 1458a_100000739618_100011217306 [0,3,0,0,0,0|1,0,0]=4 22768 B13R1.450 O=C(CCF)c1cc(cc(c1)Br)O 1458a_100011934545_100011217306 [0,3,0,0,0,0|1,0,0]=4 22769 B13R1.450 O=C(CCF)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100011217306 [0,3,0,0,0,0|1,0,0]=4 22770 B13R1.450 O=C(CCF)c1cc(cc(c1)Cl)F 1458a_100000685768_100011217306 [0,3,0,0,0,0|1,0,0]=4 22771 B13R1.450 O=C(CCF)c1cc(cc(c1)Cl)O 1458a_100011997059_100011217306 [0,3,0,0,0,0|1,0,0]=4 22772 B13R1.450 O=C(CCF)c1cc(cc(c1)F)F 1458a_100000211655_100011217306 [0,3,0,0,0,0|1,0,0]=4 22773 B13R1.450 O=C(CCF)c1cc(cc(c1)F)O 1458a_100012017291_100011217306 [0,3,0,0,0,0|1,0,0]=4 22774 B13R1.450 O=C(CCF)c1cc(cc(c1)I)Br 1458a_100000689235_100011217306 [0,3,0,0,0,0|1,0,0]=4 22775 B13R1.450 O=C(CCF)c1cc(cc(c1)I)Cl 1458a_100012047205_100011217306 [0,3,0,0,0,0|1,0,0]=4 22776 B13R1.450 O=C(CCF)c1cc(cc(c1)I)F 1458a_100012047268_100011217306 [0,3,0,0,0,0|1,0,0]=4 22777 B13R1.450 O=C(CCF)c1cc(cc(c1)I)I 1458a_100011204819_100011217306 [0,3,0,0,0,0|1,0,0]=4 22778 B13R1.450 O=C(CCO)c1cc(cc(c1)Br)Br 1458a_100000687083_100000211926 [0,3,0,0,0,0|1,0,0]=4 22779 B13R1.450 O=C(CCO)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000211926 [0,3,0,0,0,0|1,0,0]=4 22780 B13R1.450 O=C(CCO)c1cc(cc(c1)Br)F 1458a_100000739618_100000211926 [0,3,0,0,0,0|1,0,0]=4 22781 B13R1.450 O=C(CCO)c1cc(cc(c1)Br)O 1458a_100011934545_100000211926 [0,3,0,0,0,0|1,0,0]=4 22782 B13R1.450 O=C(CCO)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000211926 [0,3,0,0,0,0|1,0,0]=4 22783 B13R1.450 O=C(CCO)c1cc(cc(c1)Cl)F 1458a_100000685768_100000211926 [0,3,0,0,0,0|1,0,0]=4 22784 B13R1.450 O=C(CCO)c1cc(cc(c1)Cl)O 1458a_100011997059_100000211926 [0,3,0,0,0,0|1,0,0]=4 22785 B13R1.450 O=C(CCO)c1cc(cc(c1)F)F 1458a_100000211655_100000211926 [0,3,0,0,0,0|1,0,0]=4 22786 B13R1.450 O=C(CCO)c1cc(cc(c1)F)O 1458a_100012017291_100000211926 [0,3,0,0,0,0|1,0,0]=4 22787 B13R1.450 O=C(CCO)c1cc(cc(c1)I)Br 1458a_100000689235_100000211926 [0,3,0,0,0,0|1,0,0]=4 22788 B13R1.450 O=C(CCO)c1cc(cc(c1)I)Cl 1458a_100012047205_100000211926 [0,3,0,0,0,0|1,0,0]=4 22789 B13R1.450 O=C(CCO)c1cc(cc(c1)I)F 1458a_100012047268_100000211926 [0,3,0,0,0,0|1,0,0]=4 22790 B13R1.450 O=C(CCO)c1cc(cc(c1)I)I 1458a_100011204819_100000211926 [0,3,0,0,0,0|1,0,0]=4 22791 B13R1.450 [13CH3]OCC(=O)c1cc(cc(c1)F)F 34a_100012568930_200025704644 [0,3,0,0,0,0|1,0,0]=4 22792 B13R1.450 [13CH3]OCC(=O)c1cc(cc(c1)F)F 7a_100012568930_200025704644 [0,3,0,0,0,0|1,0,0]=4 22793 B13R1.450 [13CH3]SCC(=O)c1cc(cc(c1)Cl)Cl 62a_200012340517_200025704644 [0,3,0,0,0,0|1,0,0]=4 22794 B13R1.450 [13CH3]SCC(=O)c1cc(cc(c1)Cl)Cl 62a_200025704644_200012340517 [0,3,0,0,0,0|1,0,0]=4 22795 B13R1.450 [13CH3]SCC(=O)c1cc(cc(c1)F)F 62a_100011216790_200025704644 [0,3,0,0,0,0|1,0,0]=4 22796 B13R1.450 [13CH3]SCC(=O)c1cc(cc(c1)F)F 62a_200025704644_100011216790 [0,3,0,0,0,0|1,0,0]=4 22797 B13R1.450 [13CH3]SCC(=O)c1cc(cc(c1)O)O 62a_100010006762_200025704644 [0,3,0,0,0,0|1,0,0]=4 22798 B13R1.450 [13CH3]SCC(=O)c1cc(cc(c1)O)O 62a_200025704644_100010006762 [0,3,0,0,0,0|1,0,0]=4 22799 B13R1.460 C#CCC(=O)c1cccc(c1)C#C 1458a_100011997762_100000184674 [0,3,0,0,0,0|0,0,1]=4 22800 B13R1.460 C#CCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000184674 [0,3,0,0,0,0|0,0,1]=4 22801 B13R1.460 C#CCC(=O)c1cccc(c1)C=C 1458a_100011215009_100000184674 [0,3,0,0,0,0|0,0,1]=4 22802 B13R1.460 C#CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000184674 [0,3,0,0,0,0|0,0,0]=3 22803 B13R1.460 C#CCC(=O)c1cccc(c1)CO 1458a_100000746274_100000184674 [0,3,0,0,0,0|0,0,0]=3 22804 B13R1.460 C#CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000184674 [0,3,0,0,0,0|0,0,0]=3 22805 B13R1.460 C#CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000184674 [0,3,0,0,0,0|0,0,0]=3 22806 B13R1.460 C#Cc1cccc(c1)C(=O)CC#N 1458a_100011997762_100011214920 [0,3,0,0,0,0|0,0,1]=4 22807 B13R1.460 C#Cc1cccc(c1)C(=O)CC=C 1458a_100011997762_100000210623 [0,3,0,0,0,0|0,0,1]=4 22808 B13R1.460 C#Cc1cccc(c1)C(=O)CCC 1458a_100011997762_100000210303 [0,3,0,0,0,0|0,0,1]=4 22809 B13R1.460 C#Cc1cccc(c1)C(=O)CCF 1458a_100011997762_100011217306 [0,3,0,0,0,0|0,0,1]=4 22810 B13R1.460 C#Cc1cccc(c1)C(=O)CCO 1458a_100011997762_100000211926 [0,3,0,0,0,0|0,0,1]=4 22811 B13R1.460 C#Cc1cccc(c1)C(=O)NCC 11a_100015525214_100011997762 [0,3,0,0,0,0|0,0,1]=4 22812 B13R1.460 C#Cc1cccc(c1)C(=O)NCC 240690a_100015525214_100011997762 [0,3,0,0,0,0|0,0,1]=4 22813 B13R1.460 C#Cc1cccc(c1)C(=O)NCC 527a_100015525214_100011997762 [0,3,0,0,0,0|0,0,1]=4 22814 B13R1.460 C#Cc1cccc(c1)C(=O)NNC 22a_100016993582_100011997762 [0,3,0,0,0,0|0,0,1]=4 22815 B13R1.460 C=CCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000210623 [0,3,0,0,0,0|0,0,1]=4 22816 B13R1.460 C=CCC(=O)c1cccc(c1)C=C 1458a_100011215009_100000210623 [0,3,0,0,0,0|0,0,1]=4 22817 B13R1.460 C=CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210623 [0,3,0,0,0,0|0,0,0]=3 22818 B13R1.460 C=CCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210623 [0,3,0,0,0,0|0,0,0]=3 22819 B13R1.460 C=CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210623 [0,3,0,0,0,0|0,0,0]=3 22820 B13R1.460 C=CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210623 [0,3,0,0,0,0|0,0,0]=3 22821 B13R1.460 C=Cc1cccc(c1)C(=O)CC#N 1458a_100011215009_100011214920 [0,3,0,0,0,0|0,0,1]=4 22822 B13R1.460 C=Cc1cccc(c1)C(=O)CC#N 271570a_100011290941_100000740218 [0,3,0,0,0,0|0,0,1]=4 22823 B13R1.460 C=Cc1cccc(c1)C(=O)CCC 1458a_100011215009_100000210303 [0,3,0,0,0,0|0,0,1]=4 22824 B13R1.460 C=Cc1cccc(c1)C(=O)CCF 1458a_100011215009_100011217306 [0,3,0,0,0,0|0,0,1]=4 22825 B13R1.460 C=Cc1cccc(c1)C(=O)CCO 1458a_100011215009_100000211926 [0,3,0,0,0,0|0,0,1]=4 22826 B13R1.460 C=Cc1cccc(c1)C(=O)NCC 11a_100015525214_100011215009 [0,3,0,0,0,0|0,0,1]=4 22827 B13R1.460 C=Cc1cccc(c1)C(=O)NCC 240690a_100015525214_100011215009 [0,3,0,0,0,0|0,0,1]=4 22828 B13R1.460 C=Cc1cccc(c1)C(=O)NCC 271570a_100011290941_100000155180 [0,3,0,0,0,0|0,0,1]=4 22829 B13R1.460 C=Cc1cccc(c1)C(=O)NCC 527a_100015525214_100011215009 [0,3,0,0,0,0|0,0,1]=4 22830 B13R1.460 C=Cc1cccc(c1)C(=O)NNC 22a_100016993582_100011215009 [0,3,0,0,0,0|0,0,1]=4 22831 B13R1.460 C=Cc1cccc(c1)C(=O)OCC 271570a_100011290941_100000170211 [0,3,0,0,0,0|0,0,1]=4 22832 B13R1.460 CCCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000210303 [0,3,0,0,0,0|0,0,1]=4 22833 B13R1.460 CCCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210303 [0,3,0,0,0,0|0,0,0]=3 22834 B13R1.460 CCCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210303 [0,3,0,0,0,0|0,0,0]=3 22835 B13R1.460 CCCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210303 [0,3,0,0,0,0|0,0,0]=3 22836 B13R1.460 CCCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210303 [0,3,0,0,0,0|0,0,0]=3 22837 B13R1.460 CCNC(=O)c1cc(ccn1)NC 27a_100102657272_100000194128 [0,3,0,0,0,0|1,0,0]=4 22838 B13R1.460 CCNC(=O)c1cc(ccn1)SC 62a_100000194128_200000210301 [0,3,0,0,0,0|1,0,0]=4 22839 B13R1.460 CCNC(=O)c1cc(ccn1)SC 62a_200000210301_100000194128 [0,3,0,0,0,0|1,0,0]=4 22840 B13R1.460 CCNC(=O)c1cc(ccn1)S[13CH3] 62a_100000194128_200025704644 [0,3,0,0,0,0|1,0,0]=4 22841 B13R1.460 CCNC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000194128 [0,3,0,0,0,0|1,0,0]=4 22842 B13R1.460 CCNC(=O)c1cccc(c1)C#N 11a_100015525214_100000183950 [0,3,0,0,0,0|0,0,1]=4 22843 B13R1.460 CCNC(=O)c1cccc(c1)C#N 240690a_100015525214_100000183950 [0,3,0,0,0,0|0,0,1]=4 22844 B13R1.460 CCNC(=O)c1cccc(c1)C#N 527a_100015525214_100000183950 [0,3,0,0,0,0|0,0,1]=4 22845 B13R1.460 CCNC(=O)c1cccc(c1)CC 11a_100015525214_100011933908 [0,3,0,0,0,0|0,0,0]=3 22846 B13R1.460 CCNC(=O)c1cccc(c1)CC 240690a_100015525214_100011933908 [0,3,0,0,0,0|0,0,0]=3 22847 B13R1.460 CCNC(=O)c1cccc(c1)CC 527a_100015525214_100011933908 [0,3,0,0,0,0|0,0,0]=3 22848 B13R1.460 CCNC(=O)c1cccc(c1)CO 240690a_100015525214_100000746274 [0,3,0,0,0,0|0,0,0]=3 22849 B13R1.460 CCNC(=O)c1cccc(c1)NC 34a_100000181407_200000210301 [0,3,0,0,0,0|0,0,0]=3 22850 B13R1.460 CCNC(=O)c1cccc(c1)NC 7a_100000181407_200000210301 [0,3,0,0,0,0|0,0,0]=3 22851 B13R1.460 CCNC(=O)c1cccc(c1)N[13CH3] 34a_100000181407_200025704644 [0,3,0,0,0,0|0,0,0]=3 22852 B13R1.460 CCNC(=O)c1cccc(c1)N[13CH3] 7a_100000181407_200025704644 [0,3,0,0,0,0|0,0,0]=3 22853 B13R1.460 CCNC(=O)c1cccc(c1)OC 11a_100015525214_100000188888 [0,3,0,0,0,0|0,0,0]=3 22854 B13R1.460 CCNC(=O)c1cccc(c1)OC 240690a_100015525214_100000188888 [0,3,0,0,0,0|0,0,0]=3 22855 B13R1.460 CCNC(=O)c1cccc(c1)OC 527a_100015525214_100000188888 [0,3,0,0,0,0|0,0,0]=3 22856 B13R1.460 CCNC(=O)c1cccc(c1)OC 7a_100000160095_200000210301 [0,3,0,0,0,0|0,0,0]=3 22857 B13R1.460 CCNC(=O)c1cccc(c1)O[13CH3] 7a_100000160095_200025704644 [0,3,0,0,0,0|0,0,0]=3 22858 B13R1.460 CCNC(=O)c1cccc(c1)SC 11a_100015525214_100011217804 [0,3,0,0,0,0|0,0,0]=3 22859 B13R1.460 CCNC(=O)c1cccc(c1)SC 240690a_100015525214_100011217804 [0,3,0,0,0,0|0,0,0]=3 22860 B13R1.460 CCNC(=O)c1cccc(c1)SC 527a_100015525214_100011217804 [0,3,0,0,0,0|0,0,0]=3 22861 B13R1.460 CCNC(=O)c1cccc(c1)SC 62a_100000155180_200000210301 [0,3,0,0,0,0|0,0,0]=3 22862 B13R1.460 CCNC(=O)c1cccc(c1)SC 62a_200000210301_100000155180 [0,3,0,0,0,0|0,0,0]=3 22863 B13R1.460 CCNC(=O)c1cccc(c1)S[13CH3] 62a_100000155180_200025704644 [0,3,0,0,0,0|0,0,0]=3 22864 B13R1.460 CCNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155180 [0,3,0,0,0,0|0,0,0]=3 22865 B13R1.460 CCNC(=O)c1ccnc(c1)NC 27a_100102657272_100000229823 [0,3,0,0,0,0|1,0,0]=4 22866 B13R1.460 CCNC(=O)c1ccnc(c1)SC 62a_100000229823_200000210301 [0,3,0,0,0,0|1,0,0]=4 22867 B13R1.460 CCNC(=O)c1ccnc(c1)SC 62a_200000210301_100000229823 [0,3,0,0,0,0|1,0,0]=4 22868 B13R1.460 CCNC(=O)c1ccnc(c1)S[13CH3] 62a_100000229823_200025704644 [0,3,0,0,0,0|1,0,0]=4 22869 B13R1.460 CCNC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000229823 [0,3,0,0,0,0|1,0,0]=4 22870 B13R1.460 CCNC(=O)c1cncc(c1)NC 27a_100102657272_200000155184 [0,3,0,0,0,0|1,0,0]=4 22871 B13R1.460 CCNC(=O)c1cncc(c1)SC 62a_200000155184_200000210301 [0,3,0,0,0,0|1,0,0]=4 22872 B13R1.460 CCNC(=O)c1cncc(c1)SC 62a_200000210301_200000155184 [0,3,0,0,0,0|1,0,0]=4 22873 B13R1.460 CCNC(=O)c1cncc(c1)S[13CH3] 62a_200000155184_200025704644 [0,3,0,0,0,0|1,0,0]=4 22874 B13R1.460 CCNC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_200000155184 [0,3,0,0,0,0|1,0,0]=4 22875 B13R1.460 CCOC(=O)c1cc(ccn1)SC 62a_100010210110_200000210301 [0,3,0,0,0,0|1,0,0]=4 22876 B13R1.460 CCOC(=O)c1cc(ccn1)SC 62a_200000210301_100010210110 [0,3,0,0,0,0|1,0,0]=4 22877 B13R1.460 CCOC(=O)c1cc(ccn1)S[13CH3] 62a_100010210110_200025704644 [0,3,0,0,0,0|1,0,0]=4 22878 B13R1.460 CCOC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100010210110 [0,3,0,0,0,0|1,0,0]=4 22879 B13R1.460 CCOC(=O)c1cccc(c1)OC 7a_100000169910_200000210301 [0,3,0,0,0,0|0,0,0]=3 22880 B13R1.460 CCOC(=O)c1cccc(c1)O[13CH3] 7a_100000169910_200025704644 [0,3,0,0,0,0|0,0,0]=3 22881 B13R1.460 CCOC(=O)c1cccc(c1)SC 62a_100000170211_200000210301 [0,3,0,0,0,0|0,0,0]=3 22882 B13R1.460 CCOC(=O)c1cccc(c1)SC 62a_200000210301_100000170211 [0,3,0,0,0,0|0,0,0]=3 22883 B13R1.460 CCOC(=O)c1cccc(c1)S[13CH3] 62a_100000170211_200025704644 [0,3,0,0,0,0|0,0,0]=3 22884 B13R1.460 CCOC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000170211 [0,3,0,0,0,0|0,0,0]=3 22885 B13R1.460 CCOC(=O)c1cccc(n1)NC 27a_100102657272_100000695914 [0,3,0,0,0,0|1,0,0]=4 22886 B13R1.460 CCOC(=O)c1cccc(n1)SC 62a_100000695914_200000210301 [0,3,0,0,0,0|1,0,0]=4 22887 B13R1.460 CCOC(=O)c1cccc(n1)SC 62a_200000210301_100000695914 [0,3,0,0,0,0|1,0,0]=4 22888 B13R1.460 CCOC(=O)c1cccc(n1)S[13CH3] 62a_100000695914_200025704644 [0,3,0,0,0,0|1,0,0]=4 22889 B13R1.460 CCOC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000695914 [0,3,0,0,0,0|1,0,0]=4 22890 B13R1.460 CCOC(=O)c1ccnc(c1)SC 62a_100012350809_200000210301 [0,3,0,0,0,0|1,0,0]=4 22891 B13R1.460 CCOC(=O)c1ccnc(c1)SC 62a_200000210301_100011213083 [0,3,0,0,0,0|1,0,0]=4 22892 B13R1.460 CCOC(=O)c1ccnc(c1)S[13CH3] 62a_100012350809_200025704644 [0,3,0,0,0,0|1,0,0]=4 22893 B13R1.460 CCOC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011213083 [0,3,0,0,0,0|1,0,0]=4 22894 B13R1.460 CCOC(=O)c1cncc(c1)OC 7a_100000185702_200000210301 [0,3,0,0,0,0|1,0,0]=4 22895 B13R1.460 CCOC(=O)c1cncc(c1)O[13CH3] 7a_100000185702_200025704644 [0,3,0,0,0,0|1,0,0]=4 22896 B13R1.460 CCOC(=O)c1cncc(c1)SC 62a_100000170250_200000210301 [0,3,0,0,0,0|1,0,0]=4 22897 B13R1.460 CCOC(=O)c1cncc(c1)SC 62a_200000210301_100000170250 [0,3,0,0,0,0|1,0,0]=4 22898 B13R1.460 CCOC(=O)c1cncc(c1)S[13CH3] 62a_100000170250_200025704644 [0,3,0,0,0,0|1,0,0]=4 22899 B13R1.460 CCOC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100000170250 [0,3,0,0,0,0|1,0,0]=4 22900 B13R1.460 CCc1cccc(c1)C(=O)CC#N 1458a_100011933908_100011214920 [0,3,0,0,0,0|0,0,0]=3 22901 B13R1.460 CCc1cccc(c1)C(=O)CCF 1458a_100011933908_100011217306 [0,3,0,0,0,0|0,0,0]=3 22902 B13R1.460 CCc1cccc(c1)C(=O)CCO 1458a_100011933908_100000211926 [0,3,0,0,0,0|0,0,0]=3 22903 B13R1.460 CCc1cccc(c1)C(=O)NNC 22a_100016993582_100011933908 [0,3,0,0,0,0|0,0,0]=3 22904 B13R1.460 CNCC(=O)c1cccc(c1)C#N 2230a_106832991635_100000751541 [0,3,0,0,0,0|0,0,1]=4 22905 B13R1.460 CNCC(=O)c1cccc(c1)C#N 34a_100102657272_100000751541 [0,3,0,0,0,0|0,0,1]=4 22906 B13R1.460 CNCC(=O)c1cccc(c1)C#N 7a_106832991635_100000751541 [0,3,0,0,0,0|0,0,1]=4 22907 B13R1.460 CNCC(=O)c1cccc(c1)OC 34a_100102657272_100000211451 [0,3,0,0,0,0|0,0,0]=3 22908 B13R1.460 CNCC(=O)c1cccc(c1)OC 7a_106832991635_100000211451 [0,3,0,0,0,0|0,0,0]=3 22909 B13R1.460 CNNC(=O)c1cccc(c1)C#N 22a_100016993582_100000183950 [0,3,0,0,0,0|0,0,1]=4 22910 B13R1.460 CNNC(=O)c1cccc(c1)CO 22a_100016993582_100000746274 [0,3,0,0,0,0|0,0,0]=3 22911 B13R1.460 CNNC(=O)c1cccc(c1)OC 22a_100016993582_100000188888 [0,3,0,0,0,0|0,0,0]=3 22912 B13R1.460 CNNC(=O)c1cccc(c1)SC 22a_100016993582_100011217804 [0,3,0,0,0,0|0,0,0]=3 22913 B13R1.460 COCC(=O)c1cccc(c1)C#N 34a_100138415774_100000751541 [0,3,0,0,0,0|0,0,1]=4 22914 B13R1.460 COCC(=O)c1cccc(c1)OC 34a_100138415774_100000211451 [0,3,0,0,0,0|0,0,0]=3 22915 B13R1.460 COc1cccc(c1)C(=O)CC#N 1458a_100000188888_100011214920 [0,3,0,0,0,0|0,0,0]=3 22916 B13R1.460 COc1cccc(c1)C(=O)CCF 1458a_100000188888_100011217306 [0,3,0,0,0,0|0,0,0]=3 22917 B13R1.460 COc1cccc(c1)C(=O)CCO 1458a_100000188888_100000211926 [0,3,0,0,0,0|0,0,0]=3 22918 B13R1.460 COc1cccc(c1)C(=O)CSC 62a_100000211451_200000210301 [0,3,0,0,0,0|0,0,0]=3 22919 B13R1.460 COc1cccc(c1)C(=O)CSC 62a_200000210301_100000211451 [0,3,0,0,0,0|0,0,0]=3 22920 B13R1.460 COc1cccc(c1)C(=O)CS[13CH3] 62a_100000211451_200025704644 [0,3,0,0,0,0|0,0,0]=3 22921 B13R1.460 COc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000211451 [0,3,0,0,0,0|0,0,0]=3 22922 B13R1.460 COc1cccc(c1)N(C)CC=O 2230a_100000219725_200015260668 [0,3,0,0,0,0|1,0,0]=4 22923 B13R1.460 COc1cccc(c1)N(C)CC=O 269982a_100000219725_200015260668 [0,3,0,0,0,0|1,0,0]=4 22924 B13R1.460 COc1cccc(c1)N(C)CC=O 34a_100000219725_200009817547 [0,3,0,0,0,0|1,0,0]=4 22925 B13R1.460 CSCC(=O)c1cccc(c1)C#N 62a_200000210301_100000751541 [0,3,0,0,0,0|0,0,1]=4 22926 B13R1.460 CSc1cccc(c1)C(=O)CC#N 1458a_100011217804_100011214920 [0,3,0,0,0,0|0,0,0]=3 22927 B13R1.460 CSc1cccc(c1)C(=O)CC#N 62a_100000740218_200000210301 [0,3,0,0,0,0|0,0,0]=3 22928 B13R1.460 CSc1cccc(c1)C(=O)CC#N 62a_200000210301_100000740218 [0,3,0,0,0,0|0,0,0]=3 22929 B13R1.460 CSc1cccc(c1)C(=O)CCF 1458a_100011217804_100011217306 [0,3,0,0,0,0|0,0,0]=3 22930 B13R1.460 CSc1cccc(c1)C(=O)CCO 1458a_100011217804_100000211926 [0,3,0,0,0,0|0,0,0]=3 22931 B13R1.460 CSc1cccc(c1)N(C)CC=O 2230a_100020672454_200015260668 [0,3,0,0,0,0|1,0,0]=4 22932 B13R1.460 CSc1cccc(c1)N(C)CC=O 269982a_100020672454_200015260668 [0,3,0,0,0,0|1,0,0]=4 22933 B13R1.460 CSc1cccc(c1)N(C)CC=O 34a_100020672454_200009817547 [0,3,0,0,0,0|1,0,0]=4 22934 B13R1.460 N#CCC(=O)c1cccc(c1)C#N 1458a_100000183950_100011214920 [0,3,0,0,0,0|0,0,1]=4 22935 B13R1.460 N#CCC(=O)c1cccc(c1)CO 1458a_100000746274_100011214920 [0,3,0,0,0,0|0,0,0]=3 22936 B13R1.460 N#Cc1cccc(c1)C(=O)CCF 1458a_100000183950_100011217306 [0,3,0,0,0,0|0,0,1]=4 22937 B13R1.460 N#Cc1cccc(c1)C(=O)CCO 1458a_100000183950_100000211926 [0,3,0,0,0,0|0,0,1]=4 22938 B13R1.460 O=C(CCF)c1cccc(c1)CO 1458a_100000746274_100011217306 [0,3,0,0,0,0|0,0,0]=3 22939 B13R1.460 O=C(CCO)c1cccc(c1)CO 1458a_100000746274_100000211926 [0,3,0,0,0,0|0,0,0]=3 22940 B13R1.460 [13CH3]SCC(=O)c1cccc(c1)C#N 62a_200025704644_100000751541 [0,3,0,0,0,0|0,0,1]=4 22941 B13R1.460 [13CH3]Sc1cccc(c1)C(=O)CC#N 62a_100000740218_200025704644 [0,3,0,0,0,0|0,0,0]=3 22942 B13R1.460 [13CH3]Sc1cccc(c1)C(=O)CC#N 62a_200025704644_100000740218 [0,3,0,0,0,0|0,0,0]=3 22943 B13R1.82 C=Cc1cccc(c1Br)C(=O)OC 271570a_100011290941_100010240208 [0,3,0,0,0,0|0,0,1]=4 22944 B13R1.82 C=Cc1cccc(c1C)C(=O)OC 271570a_100011290941_100012298220 [0,3,0,0,0,0|0,0,1]=4 22945 B13R1.82 C=Cc1cccc(c1F)C(=O)OC 271570a_100011290941_100012355674 [0,3,0,0,0,0|0,0,1]=4 22946 B13R1.82 C=Cc1cccc(c1N)C(=O)OC 271570a_100011290941_100011356556 [0,3,0,0,0,0|0,0,1]=4 22947 B13R1.82 C=Cc1cccc(c1O)C(=O)OC 271570a_100011290941_100009816214 [0,3,0,0,0,0|0,0,1]=4 22948 B13R1.82 CCC(=O)c1cccc(c1Br)OC 1458a_100010245468_100000210202 [0,3,0,0,0,0|0,0,0]=3 22949 B13R1.82 CCC(=O)c1cccc(c1C)OC 1458a_100011217801_100000210202 [0,3,0,0,0,0|0,0,0]=3 22950 B13R1.82 CCC(=O)c1cccc(c1Cl)C#N 1458a_100009860865_100000210202 [0,3,0,0,0,0|0,0,1]=4 22951 B13R1.82 CCC(=O)c1cccc(c1Cl)OC 1458a_100000068443_100000210202 [0,3,0,0,0,0|0,0,0]=3 22952 B13R1.82 CCC(=O)c1cccc(c1F)C#N 1458a_100011999812_100000210202 [0,3,0,0,0,0|0,0,1]=4 22953 B13R1.82 CCC(=O)c1cccc(c1F)OC 1458a_100000766180_100000210202 [0,3,0,0,0,0|0,0,0]=3 22954 B13R1.82 CCC(=O)c1cccc(c1I)OC 1458a_100010075502_100000210202 [0,3,0,0,0,0|0,0,0]=3 22955 B13R1.82 CCC(=O)c1cccc(c1O)C#N 1458a_100009886288_100000210202 [0,3,0,0,0,0|0,0,1]=4 22956 B13R1.82 CCC(=O)c1cccc(c1O)OC 1458a_100000212136_100000210202 [0,3,0,0,0,0|0,0,0]=3 22957 B13R1.82 CCc1cccc(c1O)C(=O)OC 271570a_203496583355_200009992460 [0,3,0,0,0,0|0,0,0]=3 22958 B13R1.82 CNC(=O)c1cccc(c1Br)OC 11a_106832991635_100010245468 [0,3,0,0,0,0|0,0,0]=3 22959 B13R1.82 CNC(=O)c1cccc(c1Br)OC 1626a_100102657272_100010245468 [0,3,0,0,0,0|0,0,0]=3 22960 B13R1.82 CNC(=O)c1cccc(c1Br)OC 240690a_100102657272_100010245468 [0,3,0,0,0,0|0,0,0]=3 22961 B13R1.82 CNC(=O)c1cccc(c1Br)OC 527a_100102657272_100010245468 [0,3,0,0,0,0|0,0,0]=3 22962 B13R1.82 CNC(=O)c1cccc(c1C)NC 34a_100000739055_200000210301 [0,3,0,0,0,0|0,0,0]=3 22963 B13R1.82 CNC(=O)c1cccc(c1C)N[13CH3] 34a_100000739055_200025704644 [0,3,0,0,0,0|0,0,0]=3 22964 B13R1.82 CNC(=O)c1cccc(c1C)OC 11a_106832991635_100011217801 [0,3,0,0,0,0|0,0,0]=3 22965 B13R1.82 CNC(=O)c1cccc(c1C)OC 1626a_100102657272_100011217801 [0,3,0,0,0,0|0,0,0]=3 22966 B13R1.82 CNC(=O)c1cccc(c1C)OC 240690a_100102657272_100011217801 [0,3,0,0,0,0|0,0,0]=3 22967 B13R1.82 CNC(=O)c1cccc(c1C)OC 527a_100102657272_100011217801 [0,3,0,0,0,0|0,0,0]=3 22968 B13R1.82 CNC(=O)c1cccc(c1Cl)C#N 11a_106832991635_100009860865 [0,3,0,0,0,0|0,0,1]=4 22969 B13R1.82 CNC(=O)c1cccc(c1Cl)C#N 1626a_100102657272_100009860865 [0,3,0,0,0,0|0,0,1]=4 22970 B13R1.82 CNC(=O)c1cccc(c1Cl)C#N 527a_100102657272_100009860865 [0,3,0,0,0,0|0,0,1]=4 22971 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 11a_106832991635_100000068443 [0,3,0,0,0,0|0,0,0]=3 22972 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 1626a_100102657272_100000068443 [0,3,0,0,0,0|0,0,0]=3 22973 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 240690a_100102657272_100000068443 [0,3,0,0,0,0|0,0,0]=3 22974 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 527a_100102657272_100000068443 [0,3,0,0,0,0|0,0,0]=3 22975 B13R1.82 CNC(=O)c1cccc(c1F)C#N 11a_106832991635_100011999812 [0,3,0,0,0,0|0,0,1]=4 22976 B13R1.82 CNC(=O)c1cccc(c1F)C#N 1626a_100102657272_100011999812 [0,3,0,0,0,0|0,0,1]=4 22977 B13R1.82 CNC(=O)c1cccc(c1F)C#N 240690a_100102657272_100011999812 [0,3,0,0,0,0|0,0,1]=4 22978 B13R1.82 CNC(=O)c1cccc(c1F)C#N 527a_100102657272_100011999812 [0,3,0,0,0,0|0,0,1]=4 22979 B13R1.82 CNC(=O)c1cccc(c1F)OC 11a_106832991635_100000766180 [0,3,0,0,0,0|0,0,0]=3 22980 B13R1.82 CNC(=O)c1cccc(c1F)OC 1626a_100102657272_100000766180 [0,3,0,0,0,0|0,0,0]=3 22981 B13R1.82 CNC(=O)c1cccc(c1F)OC 240690a_100102657272_100000766180 [0,3,0,0,0,0|0,0,0]=3 22982 B13R1.82 CNC(=O)c1cccc(c1F)OC 527a_100102657272_100000766180 [0,3,0,0,0,0|0,0,0]=3 22983 B13R1.82 CNC(=O)c1cccc(c1I)OC 11a_106832991635_100010075502 [0,3,0,0,0,0|0,0,0]=3 22984 B13R1.82 CNC(=O)c1cccc(c1I)OC 1626a_100102657272_100010075502 [0,3,0,0,0,0|0,0,0]=3 22985 B13R1.82 CNC(=O)c1cccc(c1I)OC 240690a_100102657272_100010075502 [0,3,0,0,0,0|0,0,0]=3 22986 B13R1.82 CNC(=O)c1cccc(c1I)OC 527a_100102657272_100010075502 [0,3,0,0,0,0|0,0,0]=3 22987 B13R1.82 CNC(=O)c1cccc(c1O)C#N 527a_100102657272_100009886288 [0,3,0,0,0,0|0,0,1]=4 22988 B13R1.82 CNC(=O)c1cccc(c1O)OC 240690a_100102657272_100000212136 [0,3,0,0,0,0|0,0,0]=3 22989 B13R1.82 CNC(=O)c1cccc(c1O)OC 527a_100102657272_100000212136 [0,3,0,0,0,0|0,0,0]=3 22990 B13R1.82 COC(=O)c1c[nH]cc(c1=O)SC 62a_100010873956_200000210301 [0,3,0,0,0,0|1,0,0]=4 22991 B13R1.82 COC(=O)c1c[nH]cc(c1=O)SC 62a_200000210301_100010873956 [0,3,0,0,0,0|1,0,0]=4 22992 B13R1.82 COC(=O)c1c[nH]cc(c1=O)S[13CH3] 62a_100010873956_200025704644 [0,3,0,0,0,0|1,0,0]=4 22993 B13R1.82 COC(=O)c1c[nH]cc(c1=O)S[13CH3] 62a_200025704644_100010873956 [0,3,0,0,0,0|1,0,0]=4 22994 B13R1.82 COC(=O)c1cccc(c1Br)OC 34a_200010230364_200000210301 [0,3,0,0,0,0|0,0,0]=3 22995 B13R1.82 COC(=O)c1cccc(c1Br)OC 7a_200010230364_200000210301 [0,3,0,0,0,0|0,0,0]=3 22996 B13R1.82 COC(=O)c1cccc(c1Br)O[13CH3] 34a_200010230364_200025704644 [0,3,0,0,0,0|0,0,0]=3 22997 B13R1.82 COC(=O)c1cccc(c1Br)O[13CH3] 7a_200010230364_200025704644 [0,3,0,0,0,0|0,0,0]=3 22998 B13R1.82 COC(=O)c1cccc(c1Br)SC 62a_100010240208_200000210301 [0,3,0,0,0,0|0,0,0]=3 22999 B13R1.82 COC(=O)c1cccc(c1Br)SC 62a_200000210301_100010240208 [0,3,0,0,0,0|0,0,0]=3 23000 B13R1.82 COC(=O)c1cccc(c1Br)S[13CH3] 62a_100010240208_200025704644 [0,3,0,0,0,0|0,0,0]=3 23001 B13R1.82 COC(=O)c1cccc(c1Br)S[13CH3] 62a_200025704644_100010240208 [0,3,0,0,0,0|0,0,0]=3 23002 B13R1.82 COC(=O)c1cccc(c1C)OC 34a_100011999632_200000210301 [0,3,0,0,0,0|0,0,0]=3 23003 B13R1.82 COC(=O)c1cccc(c1C)OC 7a_100011999632_200000210301 [0,3,0,0,0,0|0,0,0]=3 23004 B13R1.82 COC(=O)c1cccc(c1C)O[13CH3] 34a_100011999632_200025704644 [0,3,0,0,0,0|0,0,0]=3 23005 B13R1.82 COC(=O)c1cccc(c1C)O[13CH3] 7a_100011999632_200025704644 [0,3,0,0,0,0|0,0,0]=3 23006 B13R1.82 COC(=O)c1cccc(c1C)SC 62a_100012298220_200000210301 [0,3,0,0,0,0|0,0,0]=3 23007 B13R1.82 COC(=O)c1cccc(c1C)SC 62a_200000210301_100012298220 [0,3,0,0,0,0|0,0,0]=3 23008 B13R1.82 COC(=O)c1cccc(c1C)S[13CH3] 62a_100012298220_200025704644 [0,3,0,0,0,0|0,0,0]=3 23009 B13R1.82 COC(=O)c1cccc(c1C)S[13CH3] 62a_200025704644_100012298220 [0,3,0,0,0,0|0,0,0]=3 23010 B13R1.82 COC(=O)c1cccc(c1Cl)OC 34a_100009866855_200000210301 [0,3,0,0,0,0|0,0,0]=3 23011 B13R1.82 COC(=O)c1cccc(c1Cl)OC 7a_100009866855_200000210301 [0,3,0,0,0,0|0,0,0]=3 23012 B13R1.82 COC(=O)c1cccc(c1Cl)O[13CH3] 34a_100009866855_200025704644 [0,3,0,0,0,0|0,0,0]=3 23013 B13R1.82 COC(=O)c1cccc(c1Cl)O[13CH3] 7a_100009866855_200025704644 [0,3,0,0,0,0|0,0,0]=3 23014 B13R1.82 COC(=O)c1cccc(c1F)OC 34a_100009854753_200000210301 [0,3,0,0,0,0|0,0,0]=3 23015 B13R1.82 COC(=O)c1cccc(c1F)OC 7a_100009854753_200000210301 [0,3,0,0,0,0|0,0,0]=3 23016 B13R1.82 COC(=O)c1cccc(c1F)O[13CH3] 34a_100009854753_200025704644 [0,3,0,0,0,0|0,0,0]=3 23017 B13R1.82 COC(=O)c1cccc(c1F)O[13CH3] 7a_100009854753_200025704644 [0,3,0,0,0,0|0,0,0]=3 23018 B13R1.82 COC(=O)c1cccc(c1F)SC 62a_100012355674_200000210301 [0,3,0,0,0,0|0,0,0]=3 23019 B13R1.82 COC(=O)c1cccc(c1F)SC 62a_200000210301_100012355674 [0,3,0,0,0,0|0,0,0]=3 23020 B13R1.82 COC(=O)c1cccc(c1F)S[13CH3] 62a_100012355674_200025704644 [0,3,0,0,0,0|0,0,0]=3 23021 B13R1.82 COC(=O)c1cccc(c1F)S[13CH3] 62a_200025704644_100012355674 [0,3,0,0,0,0|0,0,0]=3 23022 B13R1.82 COC(=O)c1cccc(c1N)OC 34a_100015205654_200000210301 [0,3,0,0,0,0|0,0,0]=3 23023 B13R1.82 COC(=O)c1cccc(c1N)OC 7a_100015205654_200000210301 [0,3,0,0,0,0|0,0,0]=3 23024 B13R1.82 COC(=O)c1cccc(c1N)O[13CH3] 34a_100015205654_200025704644 [0,3,0,0,0,0|0,0,0]=3 23025 B13R1.82 COC(=O)c1cccc(c1N)O[13CH3] 7a_100015205654_200025704644 [0,3,0,0,0,0|0,0,0]=3 23026 B13R1.82 COC(=O)c1cccc(c1N)SC 62a_100011356556_200000210301 [0,3,0,0,0,0|0,0,0]=3 23027 B13R1.82 COC(=O)c1cccc(c1N)S[13CH3] 62a_100011356556_200025704644 [0,3,0,0,0,0|0,0,0]=3 23028 B13R1.82 COC(=O)c1cccc(c1O)OC 271570a_203496583355_100010189551 [0,3,0,0,0,0|0,0,0]=3 23029 B13R1.82 COC(=O)c1cccc(c1O)SC 62a_100009816214_200000210301 [0,3,0,0,0,0|0,0,0]=3 23030 B13R1.82 COC(=O)c1cccc(c1O)S[13CH3] 62a_100009816214_200025704644 [0,3,0,0,0,0|0,0,0]=3 23031 B13R1.82 COC(=O)c1ccnc(c1C)SC 62a_100000087782_200000210301 [0,3,0,0,0,0|1,0,0]=4 23032 B13R1.82 COC(=O)c1ccnc(c1C)SC 62a_200000210301_100000087782 [0,3,0,0,0,0|1,0,0]=4 23033 B13R1.82 COC(=O)c1ccnc(c1C)S[13CH3] 62a_100000087782_200025704644 [0,3,0,0,0,0|1,0,0]=4 23034 B13R1.82 COC(=O)c1ccnc(c1C)S[13CH3] 62a_200025704644_100000087782 [0,3,0,0,0,0|1,0,0]=4 23035 B13R1.82 COC(=O)c1ccnc(c1F)SC 62a_100000081818_200000210301 [0,3,0,0,0,0|1,0,0]=4 23036 B13R1.82 COC(=O)c1ccnc(c1F)SC 62a_200000210301_100000081818 [0,3,0,0,0,0|1,0,0]=4 23037 B13R1.82 COC(=O)c1ccnc(c1F)S[13CH3] 62a_100000081818_200025704644 [0,3,0,0,0,0|1,0,0]=4 23038 B13R1.82 COC(=O)c1ccnc(c1F)S[13CH3] 62a_200025704644_100000081818 [0,3,0,0,0,0|1,0,0]=4 23039 B13R1.82 COC(=O)c1ccnc(c1N)SC 62a_100000067308_200000210301 [0,3,0,0,0,0|1,0,0]=4 23040 B13R1.82 COC(=O)c1ccnc(c1N)SC 62a_200000210301_100000067308 [0,3,0,0,0,0|1,0,0]=4 23041 B13R1.82 COC(=O)c1ccnc(c1N)S[13CH3] 62a_100000067308_200025704644 [0,3,0,0,0,0|1,0,0]=4 23042 B13R1.82 COC(=O)c1ccnc(c1N)S[13CH3] 62a_200025704644_100000067308 [0,3,0,0,0,0|1,0,0]=4 23043 B13R1.82 COC(=O)c1cncc(c1C)SC 62a_100010713144_200000210301 [0,3,0,0,0,0|1,0,0]=4 23044 B13R1.82 COC(=O)c1cncc(c1C)SC 62a_200000210301_100010713144 [0,3,0,0,0,0|1,0,0]=4 23045 B13R1.82 COC(=O)c1cncc(c1C)S[13CH3] 62a_100010713144_200025704644 [0,3,0,0,0,0|1,0,0]=4 23046 B13R1.82 COC(=O)c1cncc(c1C)S[13CH3] 62a_200025704644_100010713144 [0,3,0,0,0,0|1,0,0]=4 23047 B13R1.82 COC(=O)c1nccc(c1C)SC 62a_100000094583_200000210301 [0,3,0,0,0,0|1,0,0]=4 23048 B13R1.82 COC(=O)c1nccc(c1C)SC 62a_200000210301_100000094583 [0,3,0,0,0,0|1,0,0]=4 23049 B13R1.82 COC(=O)c1nccc(c1C)S[13CH3] 62a_100000094583_200025704644 [0,3,0,0,0,0|1,0,0]=4 23050 B13R1.82 COC(=O)c1nccc(c1C)S[13CH3] 62a_200025704644_100000094583 [0,3,0,0,0,0|1,0,0]=4 23051 B13R1.82 COC(=O)c1nccc(c1F)SC 62a_100000687924_200000210301 [0,3,0,0,0,0|1,0,0]=4 23052 B13R1.82 COC(=O)c1nccc(c1F)SC 62a_200000210301_100000687924 [0,3,0,0,0,0|1,0,0]=4 23053 B13R1.82 COC(=O)c1nccc(c1F)S[13CH3] 62a_100000687924_200025704644 [0,3,0,0,0,0|1,0,0]=4 23054 B13R1.82 COC(=O)c1nccc(c1F)S[13CH3] 62a_200025704644_100000687924 [0,3,0,0,0,0|1,0,0]=4 23055 B13R1.82 COc1cccc(c1Br)C(=O)CF 1458a_100010245468_100015361967 [0,3,0,0,0,0|0,0,0]=3 23056 B13R1.82 COc1cccc(c1C)C(=O)CF 1458a_100011217801_100015361967 [0,3,0,0,0,0|0,0,0]=3 23057 B13R1.82 COc1cccc(c1Cl)C(=O)CF 1458a_100000068443_100015361967 [0,3,0,0,0,0|0,0,0]=3 23058 B13R1.82 COc1cccc(c1F)C(=O)CF 1458a_100000766180_100015361967 [0,3,0,0,0,0|0,0,0]=3 23059 B13R1.82 COc1cccc(c1I)C(=O)CF 1458a_100010075502_100015361967 [0,3,0,0,0,0|0,0,0]=3 23060 B13R1.82 COc1cccc(c1O)C(=O)CF 1458a_100000212136_100015361967 [0,3,0,0,0,0|0,0,0]=3 23061 B13R1.82 CSc1cccc(c1C)C(=O)NN 62a_200000210301_200012298103 [0,3,0,0,0,0|1,0,0]=4 23062 B13R1.82 CSc1cccc(c1C)C(=O)NN 62a_200012298103_200000210301 [0,3,0,0,0,0|1,0,0]=4 23063 B13R1.82 Cc1c(cccc1C(=O)NN)S[13CH3] 62a_200012298103_200025704644 [0,3,0,0,0,0|1,0,0]=4 23064 B13R1.82 Cc1c(cccc1C(=O)NN)S[13CH3] 62a_200025704644_200012298103 [0,3,0,0,0,0|1,0,0]=4 23065 B13R1.82 N#Cc1cccc(c1Cl)C(=O)CF 1458a_100009860865_100015361967 [0,3,0,0,0,0|0,0,1]=4 23066 B13R1.82 N#Cc1cccc(c1F)C(=O)CF 1458a_100011999812_100015361967 [0,3,0,0,0,0|0,0,1]=4 23067 B13R1.82 N#Cc1cccc(c1O)C(=O)CF 1458a_100009886288_100015361967 [0,3,0,0,0,0|0,0,1]=4 23068 B13R1.107 C=Cc1c(cccc1C(=O)OC)Br 271570a_100011290941_100010150843 [0,3,0,0,0,0|1,0,0]=4 23069 B13R1.107 C=Cc1c(cccc1C(=O)OC)C 271570a_100011290941_100012002529 [0,3,0,0,0,0|0,0,0]=3 23070 B13R1.107 C=Cc1c(cccc1C(=O)OC)F 271570a_100011290941_100012357630 [0,3,0,0,0,0|1,0,0]=4 23071 B13R1.107 C=Cc1c(cccc1C(=O)OC)N 271570a_100011290941_100000719424 [0,3,0,0,0,0|1,0,0]=4 23072 B13R1.107 C=Cc1c(cccc1C(=O)OC)O 271570a_100011290941_200010230364 [0,3,0,0,0,0|1,0,0]=4 23073 B13R1.107 CCC(=O)c1cccc(c1C#N)F 1458a_100000702252_100000210202 [0,3,0,0,0,0|1,0,0]=4 23074 B13R1.107 CCC(=O)c1cccc(c1CC)Br 1458a_100010125490_100000210202 [0,3,0,0,0,0|1,0,0]=4 23075 B13R1.107 CCC(=O)c1cccc(c1OC)Br 1458a_100000689802_100000210202 [0,3,0,0,0,0|1,0,0]=4 23076 B13R1.107 CCC(=O)c1cccc(c1OC)C 1458a_100000187929_100000210202 [0,3,0,0,0,0|0,0,0]=3 23077 B13R1.107 CCC(=O)c1cccc(c1OC)Cl 1458a_100011934004_100000210202 [0,3,0,0,0,0|1,0,0]=4 23078 B13R1.107 CCC(=O)c1cccc(c1OC)F 1458a_100011218433_100000210202 [0,3,0,0,0,0|1,0,0]=4 23079 B13R1.107 CCC(=O)c1cccc(c1OC)O 1458a_100000080799_100000210202 [0,3,0,0,0,0|1,0,0]=4 23080 B13R1.107 CCc1c(cccc1C(=O)CF)Br 1458a_100010125490_100015361967 [0,3,0,0,0,0|1,0,0]=4 23081 B13R1.107 CCc1c(cccc1C(=O)NC)Br 11a_106832991635_100010125490 [0,3,0,0,0,0|1,0,0]=4 23082 B13R1.107 CCc1c(cccc1C(=O)NC)Br 1626a_100102657272_100010125490 [0,3,0,0,0,0|1,0,0]=4 23083 B13R1.107 CCc1c(cccc1C(=O)NC)Br 240690a_100102657272_100010125490 [0,3,0,0,0,0|1,0,0]=4 23084 B13R1.107 CCc1c(cccc1C(=O)NC)Br 527a_100102657272_100010125490 [0,3,0,0,0,0|1,0,0]=4 23085 B13R1.107 CNC(=O)c1cccc(c1C#N)F 240690a_100102657272_100000702252 [0,3,0,0,0,0|1,0,0]=4 23086 B13R1.107 CNC(=O)c1cccc(c1C#N)F 527a_100102657272_100000702252 [0,3,0,0,0,0|1,0,0]=4 23087 B13R1.107 CNC(=O)c1cccc(c1NC)C 34a_100000223168_200000210301 [0,3,0,0,0,0|0,0,0]=3 23088 B13R1.107 CNC(=O)c1cccc(c1NC)Cl 34a_200012181065_200000210301 [0,3,0,0,0,0|1,0,0]=4 23089 B13R1.107 CNC(=O)c1cccc(c1N[13CH3])C 34a_100000223168_200025704644 [0,3,0,0,0,0|0,0,0]=3 23090 B13R1.107 CNC(=O)c1cccc(c1N[13CH3])Cl 34a_200012181065_200025704644 [0,3,0,0,0,0|1,0,0]=4 23091 B13R1.107 CNC(=O)c1cccc(c1OC)Br 11a_106832991635_100000689802 [0,3,0,0,0,0|1,0,0]=4 23092 B13R1.107 CNC(=O)c1cccc(c1OC)Br 1626a_100102657272_100000689802 [0,3,0,0,0,0|1,0,0]=4 23093 B13R1.107 CNC(=O)c1cccc(c1OC)Br 240690a_100102657272_100000689802 [0,3,0,0,0,0|1,0,0]=4 23094 B13R1.107 CNC(=O)c1cccc(c1OC)Br 527a_100102657272_100000689802 [0,3,0,0,0,0|1,0,0]=4 23095 B13R1.107 CNC(=O)c1cccc(c1OC)C 11a_106832991635_100000187929 [0,3,0,0,0,0|0,0,0]=3 23096 B13R1.107 CNC(=O)c1cccc(c1OC)C 1626a_100102657272_100000187929 [0,3,0,0,0,0|0,0,0]=3 23097 B13R1.107 CNC(=O)c1cccc(c1OC)C 240690a_100102657272_100000187929 [0,3,0,0,0,0|0,0,0]=3 23098 B13R1.107 CNC(=O)c1cccc(c1OC)C 527a_100102657272_100000187929 [0,3,0,0,0,0|0,0,0]=3 23099 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 11a_106832991635_100011934004 [0,3,0,0,0,0|1,0,0]=4 23100 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 1626a_100102657272_100011934004 [0,3,0,0,0,0|1,0,0]=4 23101 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 240690a_100102657272_100011934004 [0,3,0,0,0,0|1,0,0]=4 23102 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 527a_100102657272_100011934004 [0,3,0,0,0,0|1,0,0]=4 23103 B13R1.107 CNC(=O)c1cccc(c1OC)F 11a_106832991635_100011218433 [0,3,0,0,0,0|1,0,0]=4 23104 B13R1.107 CNC(=O)c1cccc(c1OC)F 1626a_100102657272_100011218433 [0,3,0,0,0,0|1,0,0]=4 23105 B13R1.107 CNC(=O)c1cccc(c1OC)F 240690a_100102657272_100011218433 [0,3,0,0,0,0|1,0,0]=4 23106 B13R1.107 CNC(=O)c1cccc(c1OC)F 527a_100102657272_100011218433 [0,3,0,0,0,0|1,0,0]=4 23107 B13R1.107 COC(=O)c1cccc(c1C#N)O 271570a_203496583355_100000766541 [0,3,0,0,0,0|1,0,0]=4 23108 B13R1.107 COC(=O)c1cccc(c1OC)Br 34a_100009816214_200000210301 [0,3,0,0,0,0|1,0,0]=4 23109 B13R1.107 COC(=O)c1cccc(c1OC)C 34a_100000149854_200000210301 [0,3,0,0,0,0|0,0,0]=3 23110 B13R1.107 COC(=O)c1cccc(c1OC)C 7a_100000149854_200000210301 [0,3,0,0,0,0|0,0,0]=3 23111 B13R1.107 COC(=O)c1cccc(c1OC)Cl 34a_100000074923_200000210301 [0,3,0,0,0,0|1,0,0]=4 23112 B13R1.107 COC(=O)c1cccc(c1OC)Cl 7a_100000074923_200000210301 [0,3,0,0,0,0|1,0,0]=4 23113 B13R1.107 COC(=O)c1cccc(c1OC)F 34a_100000082593_200000210301 [0,3,0,0,0,0|1,0,0]=4 23114 B13R1.107 COC(=O)c1cccc(c1OC)F 7a_100000082593_200000210301 [0,3,0,0,0,0|1,0,0]=4 23115 B13R1.107 COC(=O)c1cccc(c1OC)N 34a_100000750886_200000210301 [0,3,0,0,0,0|1,0,0]=4 23116 B13R1.107 COC(=O)c1cccc(c1OC)O 271570a_203496583355_100010233336 [0,3,0,0,0,0|1,0,0]=4 23117 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Br 34a_100009816214_200025704644 [0,3,0,0,0,0|1,0,0]=4 23118 B13R1.107 COC(=O)c1cccc(c1O[13CH3])C 34a_100000149854_200025704644 [0,3,0,0,0,0|0,0,0]=3 23119 B13R1.107 COC(=O)c1cccc(c1O[13CH3])C 7a_100000149854_200025704644 [0,3,0,0,0,0|0,0,0]=3 23120 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Cl 34a_100000074923_200025704644 [0,3,0,0,0,0|1,0,0]=4 23121 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Cl 7a_100000074923_200025704644 [0,3,0,0,0,0|1,0,0]=4 23122 B13R1.107 COC(=O)c1cccc(c1O[13CH3])F 34a_100000082593_200025704644 [0,3,0,0,0,0|1,0,0]=4 23123 B13R1.107 COC(=O)c1cccc(c1O[13CH3])F 7a_100000082593_200025704644 [0,3,0,0,0,0|1,0,0]=4 23124 B13R1.107 COC(=O)c1cccc(c1O[13CH3])N 34a_100000750886_200025704644 [0,3,0,0,0,0|1,0,0]=4 23125 B13R1.107 COC(=O)c1cccc(c1SC)Br 62a_100010150843_200000210301 [0,3,0,0,0,0|1,0,0]=4 23126 B13R1.107 COC(=O)c1cccc(c1SC)Br 62a_200000210301_100010150843 [0,3,0,0,0,0|1,0,0]=4 23127 B13R1.107 COC(=O)c1cccc(c1SC)C 62a_100012002529_200000210301 [0,3,0,0,0,0|0,0,0]=3 23128 B13R1.107 COC(=O)c1cccc(c1SC)C 62a_200000210301_100012002529 [0,3,0,0,0,0|0,0,0]=3 23129 B13R1.107 COC(=O)c1cccc(c1SC)F 62a_100012357630_200000210301 [0,3,0,0,0,0|1,0,0]=4 23130 B13R1.107 COC(=O)c1cccc(c1SC)F 62a_200000210301_100012357630 [0,3,0,0,0,0|1,0,0]=4 23131 B13R1.107 COC(=O)c1cccc(c1SC)N 62a_100000719424_200000210301 [0,3,0,0,0,0|1,0,0]=4 23132 B13R1.107 COC(=O)c1cccc(c1SC)O 62a_200000210301_200010230364 [0,3,0,0,0,0|1,0,0]=4 23133 B13R1.107 COC(=O)c1cccc(c1SC)O 62a_200010230364_200000210301 [0,3,0,0,0,0|1,0,0]=4 23134 B13R1.107 COC(=O)c1cccc(c1S[13CH3])Br 62a_100010150843_200025704644 [0,3,0,0,0,0|1,0,0]=4 23135 B13R1.107 COC(=O)c1cccc(c1S[13CH3])Br 62a_200025704644_100010150843 [0,3,0,0,0,0|1,0,0]=4 23136 B13R1.107 COC(=O)c1cccc(c1S[13CH3])C 62a_100012002529_200025704644 [0,3,0,0,0,0|0,0,0]=3 23137 B13R1.107 COC(=O)c1cccc(c1S[13CH3])C 62a_200025704644_100012002529 [0,3,0,0,0,0|0,0,0]=3 23138 B13R1.107 COC(=O)c1cccc(c1S[13CH3])F 62a_100012357630_200025704644 [0,3,0,0,0,0|1,0,0]=4 23139 B13R1.107 COC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012357630 [0,3,0,0,0,0|1,0,0]=4 23140 B13R1.107 COC(=O)c1cccc(c1S[13CH3])N 62a_100000719424_200025704644 [0,3,0,0,0,0|1,0,0]=4 23141 B13R1.107 COC(=O)c1cccc(c1S[13CH3])O 62a_200010230364_200025704644 [0,3,0,0,0,0|1,0,0]=4 23142 B13R1.107 COC(=O)c1cccc(c1S[13CH3])O 62a_200025704644_200010230364 [0,3,0,0,0,0|1,0,0]=4 23143 B13R1.107 COc1c(cccc1C(=O)CF)Br 1458a_100000689802_100015361967 [0,3,0,0,0,0|1,0,0]=4 23144 B13R1.107 COc1c(cccc1C(=O)CF)C 1458a_100000187929_100015361967 [0,3,0,0,0,0|0,0,0]=3 23145 B13R1.107 COc1c(cccc1C(=O)CF)Cl 1458a_100011934004_100015361967 [0,3,0,0,0,0|1,0,0]=4 23146 B13R1.107 COc1c(cccc1C(=O)CF)F 1458a_100011218433_100015361967 [0,3,0,0,0,0|1,0,0]=4 23147 B13R1.107 COc1c(cccc1C(=O)CF)O 1458a_100000080799_100015361967 [0,3,0,0,0,0|1,0,0]=4 23148 B13R1.107 COc1c(cccc1C(=O)NN)C 34a_100000193353_200000210301 [0,3,0,0,0,0|1,0,0]=4 23149 B13R1.107 CSc1c(cccc1C(=O)NN)C 62a_200000210301_200012340524 [0,3,0,0,0,0|1,0,0]=4 23150 B13R1.107 CSc1c(cccc1C(=O)NN)C 62a_200012340524_200000210301 [0,3,0,0,0,0|1,0,0]=4 23151 B13R1.107 Cc1cccc(c1O[13CH3])C(=O)NN 34a_100000193353_200025704644 [0,3,0,0,0,0|1,0,0]=4 23152 B13R1.107 Cc1cccc(c1S[13CH3])C(=O)NN 62a_200012340524_200025704644 [0,3,0,0,0,0|1,0,0]=4 23153 B13R1.107 Cc1cccc(c1S[13CH3])C(=O)NN 62a_200025704644_200012340524 [0,3,0,0,0,0|1,0,0]=4 23154 B13R1.107 N#Cc1c(cccc1C(=O)CF)F 1458a_100000702252_100015361967 [0,3,0,0,0,0|1,0,0]=4 23155 B13R1.1822 CCC(=O)c1c(ccc(c1Br)C)F 1458a_100000720849_100000210202 [0,3,0,0,0,0|0,0,0]=3 23156 B13R1.1822 CCC(=O)c1c(ccc(c1Br)F)F 1458a_100010245744_100000210202 [0,3,0,0,0,0|1,0,0]=4 23157 B13R1.1822 CCC(=O)c1c(ccc(c1C)Br)C 1458a_100012355652_100000210202 [0,3,0,0,0,0|1,0,0]=4 23158 B13R1.1822 CCC(=O)c1c(ccc(c1C)Br)F 1458a_100010768519_100000210202 [0,3,0,0,0,0|1,0,0]=4 23159 B13R1.1822 CCC(=O)c1c(ccc(c1C)F)Br 1458a_100010768524_100000210202 [0,3,0,0,0,0|1,0,0]=4 23160 B13R1.1822 CCC(=O)c1c(ccc(c1Cl)Br)Cl 1458a_100012350121_100000210202 [0,3,0,0,0,0|1,0,0]=4 23161 B13R1.1822 CCC(=O)c1c(ccc(c1Cl)Br)F 1458a_100010245877_100000210202 [0,3,0,0,0,0|1,0,0]=4 23162 B13R1.1822 CCC(=O)c1c(ccc(c1Cl)C)Br 1458a_200010769262_100000210202 [0,3,0,0,0,0|0,0,0]=3 23163 B13R1.1822 CCC(=O)c1c(ccc(c1Cl)C)F 1458a_100000036856_100000210202 [0,3,0,0,0,0|0,0,0]=3 23164 B13R1.1822 CCC(=O)c1c(ccc(c1Cl)Cl)Cl 1458a_100000182695_100000210202 [0,3,0,0,0,0|1,0,0]=4 23165 B13R1.1822 CCC(=O)c1c(ccc(c1Cl)Cl)F 1458a_100000061834_100000210202 [0,3,0,0,0,0|1,0,0]=4 23166 B13R1.1822 CCC(=O)c1c(ccc(c1Cl)F)Cl 1458a_100000068355_100000210202 [0,3,0,0,0,0|1,0,0]=4 23167 B13R1.1822 CCC(=O)c1c(ccc(c1Cl)F)F 1458a_100000043044_100000210202 [0,3,0,0,0,0|1,0,0]=4 23168 B13R1.1822 CCC(=O)c1c(ccc(c1F)Br)Br 1458a_100010233042_100000210202 [0,3,0,0,0,0|1,0,0]=4 23169 B13R1.1822 CCC(=O)c1c(ccc(c1F)Br)Cl 1458a_100010235752_100000210202 [0,3,0,0,0,0|1,0,0]=4 23170 B13R1.1822 CCC(=O)c1c(ccc(c1F)Br)F 1458a_100000721511_100000210202 [0,3,0,0,0,0|1,0,0]=4 23171 B13R1.1822 CCC(=O)c1c(ccc(c1F)C)Br 1458a_100010271678_100000210202 [0,3,0,0,0,0|0,0,0]=3 23172 B13R1.1822 CCC(=O)c1c(ccc(c1F)C)Cl 1458a_100000039063_100000210202 [0,3,0,0,0,0|0,0,0]=3 23173 B13R1.1822 CCC(=O)c1c(ccc(c1F)C)F 1458a_100000692215_100000210202 [0,3,0,0,0,0|0,0,0]=3 23174 B13R1.1822 CCC(=O)c1c(ccc(c1F)Cl)Br 1458a_100010769261_100000210202 [0,3,0,0,0,0|1,0,0]=4 23175 B13R1.1822 CCC(=O)c1c(ccc(c1F)Cl)Cl 1458a_100000061686_100000210202 [0,3,0,0,0,0|1,0,0]=4 23176 B13R1.1822 CCC(=O)c1c(ccc(c1F)Cl)F 1458a_100011219569_100000210202 [0,3,0,0,0,0|1,0,0]=4 23177 B13R1.1822 CCC(=O)c1c(ccc(c1F)F)Br 1458a_100010177765_100000210202 [0,3,0,0,0,0|1,0,0]=4 23178 B13R1.1822 CCC(=O)c1c(ccc(c1F)F)Cl 1458a_100011998153_100000210202 [0,3,0,0,0,0|1,0,0]=4 23179 B13R1.1822 CCC(=O)c1c(ccc(c1F)F)F 1458a_100000031524_100000210202 [0,3,0,0,0,0|1,0,0]=4 23180 B13R1.1822 CCC(=O)c1c(ccc(c1F)F)I 1458a_100010177766_100000210202 [0,3,0,0,0,0|1,0,0]=4 23181 B13R1.1822 CCC(=O)c1c(ccc(c1F)F)O 1458a_100000062415_100000210202 [0,3,0,0,0,0|1,0,0]=4 23182 B13R1.1822 CCC(=O)c1c(ccc(c1F)I)Br 1458a_100010782274_100000210202 [0,3,0,0,0,0|1,0,0]=4 23183 B13R1.1822 CCC(=O)c1c(ccc(c1F)I)Cl 1458a_100021583479_100000210202 [0,3,0,0,0,0|1,0,0]=4 23184 B13R1.1822 CCC(=O)c1c(ccc(c1F)I)F 1458a_100012359589_100000210202 [0,3,0,0,0,0|1,0,0]=4 23185 B13R1.1822 CCC(=O)c1c(ccc(c1F)O)F 1458a_100000068660_100000210202 [0,3,0,0,0,0|1,0,0]=4 23186 B13R1.1822 CCC(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_100000210202 [0,3,0,0,0,0|1,0,0]=4 23187 B13R1.1822 CCC(=O)c1c(ccc(c1O)C)C 1458a_100011255215_100000210202 [0,3,0,0,0,0|0,0,0]=3 23188 B13R1.1822 CCC(=O)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_100000210202 [0,3,0,0,0,0|1,0,0]=4 23189 B13R1.1822 CCC(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_100000210202 [0,3,0,0,0,0|1,0,0]=4 23190 B13R1.1822 CCC(=O)c1c(ccc(c1O)F)F 1458a_100011830443_100000210202 [0,3,0,0,0,0|1,0,0]=4 23191 B13R1.1822 CNC(=O)c1c(ccc(c1Br)C)F 11a_106832991635_100000720849 [0,3,0,0,0,0|0,0,0]=3 23192 B13R1.1822 CNC(=O)c1c(ccc(c1Br)C)F 1626a_100102657272_100000720849 [0,3,0,0,0,0|0,0,0]=3 23193 B13R1.1822 CNC(=O)c1c(ccc(c1Br)C)F 240690a_100102657272_100000720849 [0,3,0,0,0,0|0,0,0]=3 23194 B13R1.1822 CNC(=O)c1c(ccc(c1Br)C)F 527a_100102657272_100000720849 [0,3,0,0,0,0|0,0,0]=3 23195 B13R1.1822 CNC(=O)c1c(ccc(c1Br)F)F 11a_106832991635_100010245744 [0,3,0,0,0,0|1,0,0]=4 23196 B13R1.1822 CNC(=O)c1c(ccc(c1Br)F)F 1626a_100102657272_100010245744 [0,3,0,0,0,0|1,0,0]=4 23197 B13R1.1822 CNC(=O)c1c(ccc(c1Br)F)F 240690a_100102657272_100010245744 [0,3,0,0,0,0|1,0,0]=4 23198 B13R1.1822 CNC(=O)c1c(ccc(c1Br)F)F 527a_100102657272_100010245744 [0,3,0,0,0,0|1,0,0]=4 23199 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)C 11a_106832991635_100012355652 [0,3,0,0,0,0|1,0,0]=4 23200 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)C 1626a_100102657272_100012355652 [0,3,0,0,0,0|1,0,0]=4 23201 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)C 240690a_100102657272_100012355652 [0,3,0,0,0,0|1,0,0]=4 23202 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)C 527a_100102657272_100012355652 [0,3,0,0,0,0|1,0,0]=4 23203 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)F 11a_106832991635_100010768519 [0,3,0,0,0,0|1,0,0]=4 23204 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)F 1626a_100102657272_100010768519 [0,3,0,0,0,0|1,0,0]=4 23205 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)F 240690a_100102657272_100010768519 [0,3,0,0,0,0|1,0,0]=4 23206 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)F 527a_100102657272_100010768519 [0,3,0,0,0,0|1,0,0]=4 23207 B13R1.1822 CNC(=O)c1c(ccc(c1C)F)Br 11a_106832991635_100010768524 [0,3,0,0,0,0|1,0,0]=4 23208 B13R1.1822 CNC(=O)c1c(ccc(c1C)F)Br 1626a_100102657272_100010768524 [0,3,0,0,0,0|1,0,0]=4 23209 B13R1.1822 CNC(=O)c1c(ccc(c1C)F)Br 240690a_100102657272_100010768524 [0,3,0,0,0,0|1,0,0]=4 23210 B13R1.1822 CNC(=O)c1c(ccc(c1C)F)Br 527a_100102657272_100010768524 [0,3,0,0,0,0|1,0,0]=4 23211 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)Cl 11a_106832991635_100012350121 [0,3,0,0,0,0|1,0,0]=4 23212 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)Cl 1626a_100102657272_100012350121 [0,3,0,0,0,0|1,0,0]=4 23213 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)Cl 240690a_100102657272_100012350121 [0,3,0,0,0,0|1,0,0]=4 23214 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)Cl 527a_100102657272_100012350121 [0,3,0,0,0,0|1,0,0]=4 23215 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)F 11a_106832991635_100010245877 [0,3,0,0,0,0|1,0,0]=4 23216 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)F 1626a_100102657272_100010245877 [0,3,0,0,0,0|1,0,0]=4 23217 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)F 240690a_100102657272_100010245877 [0,3,0,0,0,0|1,0,0]=4 23218 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)F 527a_100102657272_100010245877 [0,3,0,0,0,0|1,0,0]=4 23219 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)Br 11a_106832991635_200010769262 [0,3,0,0,0,0|0,0,0]=3 23220 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)Br 1626a_100102657272_200010769262 [0,3,0,0,0,0|0,0,0]=3 23221 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)Br 240690a_100102657272_200010769262 [0,3,0,0,0,0|0,0,0]=3 23222 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)Br 527a_100102657272_200010769262 [0,3,0,0,0,0|0,0,0]=3 23223 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)F 11a_106832991635_100000036856 [0,3,0,0,0,0|0,0,0]=3 23224 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)F 1626a_100102657272_100000036856 [0,3,0,0,0,0|0,0,0]=3 23225 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)F 240690a_100102657272_100000036856 [0,3,0,0,0,0|0,0,0]=3 23226 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)F 527a_100102657272_100000036856 [0,3,0,0,0,0|0,0,0]=3 23227 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)Cl 11a_106832991635_100000182695 [0,3,0,0,0,0|1,0,0]=4 23228 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)Cl 1626a_100102657272_100000182695 [0,3,0,0,0,0|1,0,0]=4 23229 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)Cl 240690a_100102657272_100000182695 [0,3,0,0,0,0|1,0,0]=4 23230 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)Cl 527a_100102657272_100000182695 [0,3,0,0,0,0|1,0,0]=4 23231 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)F 11a_106832991635_100000061834 [0,3,0,0,0,0|1,0,0]=4 23232 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)F 1626a_100102657272_100000061834 [0,3,0,0,0,0|1,0,0]=4 23233 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)F 240690a_100102657272_100000061834 [0,3,0,0,0,0|1,0,0]=4 23234 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)F 527a_100102657272_100000061834 [0,3,0,0,0,0|1,0,0]=4 23235 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)Cl 11a_106832991635_100000068355 [0,3,0,0,0,0|1,0,0]=4 23236 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)Cl 1626a_100102657272_100000068355 [0,3,0,0,0,0|1,0,0]=4 23237 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)Cl 240690a_100102657272_100000068355 [0,3,0,0,0,0|1,0,0]=4 23238 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)F 11a_106832991635_100000043044 [0,3,0,0,0,0|1,0,0]=4 23239 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)F 1626a_100102657272_100000043044 [0,3,0,0,0,0|1,0,0]=4 23240 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)F 240690a_100102657272_100000043044 [0,3,0,0,0,0|1,0,0]=4 23241 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)F 527a_100102657272_100000043044 [0,3,0,0,0,0|1,0,0]=4 23242 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Br 11a_106832991635_100010233042 [0,3,0,0,0,0|1,0,0]=4 23243 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Br 240690a_100102657272_100010233042 [0,3,0,0,0,0|1,0,0]=4 23244 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Br 527a_100102657272_100010233042 [0,3,0,0,0,0|1,0,0]=4 23245 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Cl 11a_106832991635_100010235752 [0,3,0,0,0,0|1,0,0]=4 23246 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Cl 1626a_100102657272_100010235752 [0,3,0,0,0,0|1,0,0]=4 23247 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Cl 240690a_100102657272_100010235752 [0,3,0,0,0,0|1,0,0]=4 23248 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Cl 527a_100102657272_100010235752 [0,3,0,0,0,0|1,0,0]=4 23249 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)F 11a_106832991635_100000721511 [0,3,0,0,0,0|1,0,0]=4 23250 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)F 1626a_100102657272_100000721511 [0,3,0,0,0,0|1,0,0]=4 23251 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)F 240690a_100102657272_100000721511 [0,3,0,0,0,0|1,0,0]=4 23252 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)F 527a_100102657272_100000721511 [0,3,0,0,0,0|1,0,0]=4 23253 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Br 11a_106832991635_100010271678 [0,3,0,0,0,0|0,0,0]=3 23254 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Br 1626a_100102657272_100010271678 [0,3,0,0,0,0|0,0,0]=3 23255 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Br 240690a_100102657272_100010271678 [0,3,0,0,0,0|0,0,0]=3 23256 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Br 527a_100102657272_100010271678 [0,3,0,0,0,0|0,0,0]=3 23257 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Cl 11a_106832991635_100000039063 [0,3,0,0,0,0|0,0,0]=3 23258 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Cl 1626a_100102657272_100000039063 [0,3,0,0,0,0|0,0,0]=3 23259 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Cl 240690a_100102657272_100000039063 [0,3,0,0,0,0|0,0,0]=3 23260 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Cl 527a_100102657272_100000039063 [0,3,0,0,0,0|0,0,0]=3 23261 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)F 11a_106832991635_100000692215 [0,3,0,0,0,0|0,0,0]=3 23262 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)F 1626a_100102657272_100000692215 [0,3,0,0,0,0|0,0,0]=3 23263 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)F 240690a_100102657272_100000692215 [0,3,0,0,0,0|0,0,0]=3 23264 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)F 527a_100102657272_100000692215 [0,3,0,0,0,0|0,0,0]=3 23265 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Br 11a_106832991635_100010769261 [0,3,0,0,0,0|1,0,0]=4 23266 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Br 1626a_100102657272_100010769261 [0,3,0,0,0,0|1,0,0]=4 23267 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Br 240690a_100102657272_100010769261 [0,3,0,0,0,0|1,0,0]=4 23268 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Br 527a_100102657272_100010769261 [0,3,0,0,0,0|1,0,0]=4 23269 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Cl 11a_106832991635_100000061686 [0,3,0,0,0,0|1,0,0]=4 23270 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Cl 1626a_100102657272_100000061686 [0,3,0,0,0,0|1,0,0]=4 23271 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Cl 240690a_100102657272_100000061686 [0,3,0,0,0,0|1,0,0]=4 23272 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Cl 527a_100102657272_100000061686 [0,3,0,0,0,0|1,0,0]=4 23273 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)F 11a_106832991635_100011219569 [0,3,0,0,0,0|1,0,0]=4 23274 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)F 1626a_100102657272_100011219569 [0,3,0,0,0,0|1,0,0]=4 23275 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)F 240690a_100102657272_100011219569 [0,3,0,0,0,0|1,0,0]=4 23276 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)F 527a_100102657272_100011219569 [0,3,0,0,0,0|1,0,0]=4 23277 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Br 11a_106832991635_100010177765 [0,3,0,0,0,0|1,0,0]=4 23278 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Br 1626a_100102657272_100010177765 [0,3,0,0,0,0|1,0,0]=4 23279 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Br 240690a_100102657272_100010177765 [0,3,0,0,0,0|1,0,0]=4 23280 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Br 527a_100102657272_100010177765 [0,3,0,0,0,0|1,0,0]=4 23281 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Cl 11a_106832991635_100011998153 [0,3,0,0,0,0|1,0,0]=4 23282 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Cl 1626a_100102657272_100011998153 [0,3,0,0,0,0|1,0,0]=4 23283 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Cl 240690a_100102657272_100011998153 [0,3,0,0,0,0|1,0,0]=4 23284 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Cl 527a_100102657272_100011998153 [0,3,0,0,0,0|1,0,0]=4 23285 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)F 11a_106832991635_100000031524 [0,3,0,0,0,0|1,0,0]=4 23286 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)F 1626a_100102657272_100000031524 [0,3,0,0,0,0|1,0,0]=4 23287 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)F 240690a_100102657272_100000031524 [0,3,0,0,0,0|1,0,0]=4 23288 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)F 527a_100102657272_100000031524 [0,3,0,0,0,0|1,0,0]=4 23289 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)I 11a_106832991635_100010177766 [0,3,0,0,0,0|1,0,0]=4 23290 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)I 1626a_100102657272_100010177766 [0,3,0,0,0,0|1,0,0]=4 23291 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)I 240690a_100102657272_100010177766 [0,3,0,0,0,0|1,0,0]=4 23292 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)I 527a_100102657272_100010177766 [0,3,0,0,0,0|1,0,0]=4 23293 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)O 240690a_100102657272_100000062415 [0,3,0,0,0,0|1,0,0]=4 23294 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)O 527a_100102657272_100000062415 [0,3,0,0,0,0|1,0,0]=4 23295 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Br 11a_106832991635_100010782274 [0,3,0,0,0,0|1,0,0]=4 23296 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Br 1626a_100102657272_100010782274 [0,3,0,0,0,0|1,0,0]=4 23297 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Br 240690a_100102657272_100010782274 [0,3,0,0,0,0|1,0,0]=4 23298 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Br 527a_100102657272_100010782274 [0,3,0,0,0,0|1,0,0]=4 23299 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Cl 11a_106832991635_100021583479 [0,3,0,0,0,0|1,0,0]=4 23300 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Cl 1626a_100102657272_100021583479 [0,3,0,0,0,0|1,0,0]=4 23301 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Cl 240690a_100102657272_100021583479 [0,3,0,0,0,0|1,0,0]=4 23302 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Cl 527a_100102657272_100021583479 [0,3,0,0,0,0|1,0,0]=4 23303 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)F 11a_106832991635_100012359589 [0,3,0,0,0,0|1,0,0]=4 23304 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)F 1626a_100102657272_100012359589 [0,3,0,0,0,0|1,0,0]=4 23305 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)F 240690a_100102657272_100012359589 [0,3,0,0,0,0|1,0,0]=4 23306 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)F 527a_100102657272_100012359589 [0,3,0,0,0,0|1,0,0]=4 23307 B13R1.1822 CNC(=O)c1c(ccc(c1F)O)F 240690a_100102657272_100000068660 [0,3,0,0,0,0|1,0,0]=4 23308 B13R1.1822 CNC(=O)c1c(ccc(c1F)O)F 527a_100102657272_100000068660 [0,3,0,0,0,0|1,0,0]=4 23309 B13R1.1822 CNC(=O)c1c(ccc(c1O)Br)O 240690a_100102657272_100010008628 [0,3,0,0,0,0|1,0,0]=4 23310 B13R1.1822 CNC(=O)c1c(ccc(c1O)Br)O 527a_100102657272_100010008628 [0,3,0,0,0,0|1,0,0]=4 23311 B13R1.1822 CNC(=O)c1c(ccc(c1O)C)C 240690a_100102657272_100011255215 [0,3,0,0,0,0|0,0,0]=3 23312 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)Cl 240690a_100102657272_100011255222 [0,3,0,0,0,0|1,0,0]=4 23313 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)Cl 527a_100102657272_100011255222 [0,3,0,0,0,0|1,0,0]=4 23314 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)O 240690a_100102657272_100000080727 [0,3,0,0,0,0|1,0,0]=4 23315 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)O 527a_100102657272_100000080727 [0,3,0,0,0,0|1,0,0]=4 23316 B13R1.1822 CNC(=O)c1c(ccc(c1O)F)F 240690a_100102657272_100011830443 [0,3,0,0,0,0|1,0,0]=4 23317 B13R1.1822 CNC(=O)c1c(ccc(c1O)F)F 527a_100102657272_100011830443 [0,3,0,0,0,0|1,0,0]=4 23318 B13R1.1822 COC(=O)c1c(ccc(c1C)F)O 271570a_203496583355_100015681208 [0,3,0,0,0,0|1,0,0]=4 23319 B13R1.1822 COC(=O)c1c(ccc(c1C)N)O 271570a_203496583355_100000718917 [0,3,0,0,0,0|1,0,0]=4 23320 B13R1.1822 COC(=O)c1c(ccc(c1C)O)C 271570a_203496583355_100016100700 [0,3,0,0,0,0|1,0,0]=4 23321 B13R1.1822 COC(=O)c1c(ccc(c1C)O)N 271570a_203496583355_100010203172 [0,3,0,0,0,0|1,0,0]=4 23322 B13R1.1822 COC(=O)c1c(ccc(c1C)O)O 271570a_203496583355_100010074912 [0,3,0,0,0,0|1,0,0]=4 23323 B13R1.1822 COC(=O)c1c(ccc(c1F)Br)O 271570a_203496583355_100015883209 [0,3,0,0,0,0|1,0,0]=4 23324 B13R1.1822 COC(=O)c1c(ccc(c1F)C)O 271570a_203496583355_100010782293 [0,3,0,0,0,0|0,0,0]=3 23325 B13R1.1822 COC(=O)c1c(ccc(c1F)O)F 271570a_203496583355_100000721510 [0,3,0,0,0,0|1,0,0]=4 23326 B13R1.1822 COC(=O)c1c(ccc(c1O)F)F 271570a_203496583355_100011071027 [0,3,0,0,0,0|1,0,0]=4 23327 B13R1.1822 Cc1c(ccc(c1C(=O)CF)Br)F 1458a_100010768524_100015361967 [0,3,0,0,0,0|1,0,0]=4 23328 B13R1.1822 Cc1c(ccc(c1C(=O)CF)F)Br 1458a_100010768519_100015361967 [0,3,0,0,0,0|1,0,0]=4 23329 B13R1.1822 Cc1ccc(c(c1Br)C(=O)CF)F 1458a_100000720849_100015361967 [0,3,0,0,0,0|0,0,0]=3 23330 B13R1.1822 Cc1ccc(c(c1C(=O)CF)C)Br 1458a_100012355652_100015361967 [0,3,0,0,0,0|1,0,0]=4 23331 B13R1.1822 Cc1ccc(c(c1Cl)C(=O)CF)Br 1458a_200010769262_100015361967 [0,3,0,0,0,0|0,0,0]=3 23332 B13R1.1822 Cc1ccc(c(c1Cl)C(=O)CF)F 1458a_100000036856_100015361967 [0,3,0,0,0,0|0,0,0]=3 23333 B13R1.1822 Cc1ccc(c(c1F)C(=O)CF)Br 1458a_100010271678_100015361967 [0,3,0,0,0,0|0,0,0]=3 23334 B13R1.1822 Cc1ccc(c(c1F)C(=O)CF)Cl 1458a_100000039063_100015361967 [0,3,0,0,0,0|0,0,0]=3 23335 B13R1.1822 Cc1ccc(c(c1F)C(=O)CF)F 1458a_100000692215_100015361967 [0,3,0,0,0,0|0,0,0]=3 23336 B13R1.1822 Cc1ccc(c(c1O)C(=O)CF)C 1458a_100011255215_100015361967 [0,3,0,0,0,0|0,0,0]=3 23337 B13R1.1822 O=C(CF)c1c(ccc(c1Br)F)F 1458a_100010245744_100015361967 [0,3,0,0,0,0|1,0,0]=4 23338 B13R1.1822 O=C(CF)c1c(ccc(c1Cl)Br)Cl 1458a_100012350121_100015361967 [0,3,0,0,0,0|1,0,0]=4 23339 B13R1.1822 O=C(CF)c1c(ccc(c1Cl)Br)F 1458a_100010245877_100015361967 [0,3,0,0,0,0|1,0,0]=4 23340 B13R1.1822 O=C(CF)c1c(ccc(c1Cl)Cl)Cl 1458a_100000182695_100015361967 [0,3,0,0,0,0|1,0,0]=4 23341 B13R1.1822 O=C(CF)c1c(ccc(c1Cl)Cl)F 1458a_100000061834_100015361967 [0,3,0,0,0,0|1,0,0]=4 23342 B13R1.1822 O=C(CF)c1c(ccc(c1Cl)F)Cl 1458a_100000068355_100015361967 [0,3,0,0,0,0|1,0,0]=4 23343 B13R1.1822 O=C(CF)c1c(ccc(c1Cl)F)F 1458a_100000043044_100015361967 [0,3,0,0,0,0|1,0,0]=4 23344 B13R1.1822 O=C(CF)c1c(ccc(c1F)Br)Br 1458a_100010233042_100015361967 [0,3,0,0,0,0|1,0,0]=4 23345 B13R1.1822 O=C(CF)c1c(ccc(c1F)Br)Cl 1458a_100010235752_100015361967 [0,3,0,0,0,0|1,0,0]=4 23346 B13R1.1822 O=C(CF)c1c(ccc(c1F)Br)F 1458a_100000721511_100015361967 [0,3,0,0,0,0|1,0,0]=4 23347 B13R1.1822 O=C(CF)c1c(ccc(c1F)Cl)Br 1458a_100010769261_100015361967 [0,3,0,0,0,0|1,0,0]=4 23348 B13R1.1822 O=C(CF)c1c(ccc(c1F)Cl)Cl 1458a_100000061686_100015361967 [0,3,0,0,0,0|1,0,0]=4 23349 B13R1.1822 O=C(CF)c1c(ccc(c1F)Cl)F 1458a_100011219569_100015361967 [0,3,0,0,0,0|1,0,0]=4 23350 B13R1.1822 O=C(CF)c1c(ccc(c1F)F)Br 1458a_100010177765_100015361967 [0,3,0,0,0,0|1,0,0]=4 23351 B13R1.1822 O=C(CF)c1c(ccc(c1F)F)Cl 1458a_100011998153_100015361967 [0,3,0,0,0,0|1,0,0]=4 23352 B13R1.1822 O=C(CF)c1c(ccc(c1F)F)F 1458a_100000031524_100015361967 [0,3,0,0,0,0|1,0,0]=4 23353 B13R1.1822 O=C(CF)c1c(ccc(c1F)F)I 1458a_100010177766_100015361967 [0,3,0,0,0,0|1,0,0]=4 23354 B13R1.1822 O=C(CF)c1c(ccc(c1F)F)O 1458a_100000062415_100015361967 [0,3,0,0,0,0|1,0,0]=4 23355 B13R1.1822 O=C(CF)c1c(ccc(c1F)I)Br 1458a_100010782274_100015361967 [0,3,0,0,0,0|1,0,0]=4 23356 B13R1.1822 O=C(CF)c1c(ccc(c1F)I)Cl 1458a_100021583479_100015361967 [0,3,0,0,0,0|1,0,0]=4 23357 B13R1.1822 O=C(CF)c1c(ccc(c1F)I)F 1458a_100012359589_100015361967 [0,3,0,0,0,0|1,0,0]=4 23358 B13R1.1822 O=C(CF)c1c(ccc(c1F)O)F 1458a_100000068660_100015361967 [0,3,0,0,0,0|1,0,0]=4 23359 B13R1.1822 O=C(CF)c1c(ccc(c1O)Br)O 1458a_100010008628_100015361967 [0,3,0,0,0,0|1,0,0]=4 23360 B13R1.1822 O=C(CF)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_100015361967 [0,3,0,0,0,0|1,0,0]=4 23361 B13R1.1822 O=C(CF)c1c(ccc(c1O)Cl)O 1458a_100000080727_100015361967 [0,3,0,0,0,0|1,0,0]=4 23362 B13R1.1822 O=C(CF)c1c(ccc(c1O)F)F 1458a_100011830443_100015361967 [0,3,0,0,0,0|1,0,0]=4 23363 B13R1.4789 CCC(=O)c1cc(cc(c1Br)Br)C 1458a_200012920551_100000210202 [0,3,0,0,0,0|0,0,0]=3 23364 B13R1.4789 CCC(=O)c1cc(cc(c1Br)C)C 1458a_200000701928_100000210202 [0,3,0,0,0,0|0,0,0]=3 23365 B13R1.4789 CCC(=O)c1cc(cc(c1Br)F)F 1458a_100010209673_100000210202 [0,3,0,0,0,0|1,0,0]=4 23366 B13R1.4789 CCC(=O)c1cc(cc(c1C)Br)Br 1458a_100012356187_100000210202 [0,3,0,0,0,0|1,0,0]=4 23367 B13R1.4789 CCC(=O)c1cc(cc(c1C)Br)F 1458a_100012347597_100000210202 [0,3,0,0,0,0|1,0,0]=4 23368 B13R1.4789 CCC(=O)c1cc(cc(c1C)C)Br 1458a_100012920495_100000210202 [0,3,0,0,0,0|0,0,0]=3 23369 B13R1.4789 CCC(=O)c1cc(cc(c1C)Cl)Br 1458a_100012921640_100000210202 [0,3,0,0,0,0|1,0,0]=4 23370 B13R1.4789 CCC(=O)c1cc(cc(c1C)Cl)F 1458a_100012177191_100000210202 [0,3,0,0,0,0|1,0,0]=4 23371 B13R1.4789 CCC(=O)c1cc(cc(c1C)F)Br 1458a_100010768523_100000210202 [0,3,0,0,0,0|1,0,0]=4 23372 B13R1.4789 CCC(=O)c1cc(cc(c1C)O)Br 1458a_100011101721_100000210202 [0,3,0,0,0,0|1,0,0]=4 23373 B13R1.4789 CCC(=O)c1cc(cc(c1Cl)Br)Cl 1458a_200012920481_100000210202 [0,3,0,0,0,0|1,0,0]=4 23374 B13R1.4789 CCC(=O)c1cc(cc(c1Cl)Br)F 1458a_100011105905_100000210202 [0,3,0,0,0,0|1,0,0]=4 23375 B13R1.4789 CCC(=O)c1cc(cc(c1Cl)C)F 1458a_200010768536_100000210202 [0,3,0,0,0,0|0,0,0]=3 23376 B13R1.4789 CCC(=O)c1cc(cc(c1Cl)Cl)Cl 1458a_100011215521_100000210202 [0,3,0,0,0,0|1,0,0]=4 23377 B13R1.4789 CCC(=O)c1cc(cc(c1Cl)Cl)F 1458a_200010244589_100000210202 [0,3,0,0,0,0|1,0,0]=4 23378 B13R1.4789 CCC(=O)c1cc(cc(c1Cl)F)Cl 1458a_200012352169_100000210202 [0,3,0,0,0,0|1,0,0]=4 23379 B13R1.4789 CCC(=O)c1cc(cc(c1Cl)F)F 1458a_100009888511_100000210202 [0,3,0,0,0,0|1,0,0]=4 23380 B13R1.4789 CCC(=O)c1cc(cc(c1F)Br)C 1458a_100009996753_100000210202 [0,3,0,0,0,0|0,0,0]=3 23381 B13R1.4789 CCC(=O)c1cc(cc(c1F)Br)Cl 1458a_100000720295_100000210202 [0,3,0,0,0,0|1,0,0]=4 23382 B13R1.4789 CCC(=O)c1cc(cc(c1F)Br)F 1458a_100012920464_100000210202 [0,3,0,0,0,0|1,0,0]=4 23383 B13R1.4789 CCC(=O)c1cc(cc(c1F)C)Br 1458a_100012928937_100000210202 [0,3,0,0,0,0|0,0,0]=3 23384 B13R1.4789 CCC(=O)c1cc(cc(c1F)Cl)Br 1458a_100012920557_100000210202 [0,3,0,0,0,0|1,0,0]=4 23385 B13R1.4789 CCC(=O)c1cc(cc(c1F)Cl)I 1458a_100012920558_100000210202 [0,3,0,0,0,0|1,0,0]=4 23386 B13R1.4789 CCC(=O)c1cc(cc(c1F)F)Br 1458a_100012349847_100000210202 [0,3,0,0,0,0|1,0,0]=4 23387 B13R1.4789 CCC(=O)c1cc(cc(c1F)F)C 1458a_100000094381_100000210202 [0,3,0,0,0,0|0,0,0]=3 23388 B13R1.4789 CCC(=O)c1cc(cc(c1F)F)F 1458a_100011217470_100000210202 [0,3,0,0,0,0|1,0,0]=4 23389 B13R1.4789 CCC(=O)c1cc(cc(c1F)F)I 1458a_100012344719_100000210202 [0,3,0,0,0,0|1,0,0]=4 23390 B13R1.4789 CCC(=O)c1cc(cc(c1I)I)I 1458a_100000211575_100000210202 [0,3,0,0,0,0|1,0,0]=4 23391 B13R1.4789 CCC(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_100000210202 [0,3,0,0,0,0|1,0,0]=4 23392 B13R1.4789 CCC(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_100000210202 [0,3,0,0,0,0|1,0,0]=4 23393 B13R1.4789 CCC(=O)c1cc(cc(c1O)C)Br 1458a_100011825902_100000210202 [0,3,0,0,0,0|0,0,0]=3 23394 B13R1.4789 CCC(=O)c1cc(cc(c1O)C)Cl 1458a_100011255218_100000210202 [0,3,0,0,0,0|0,0,0]=3 23395 B13R1.4789 CCC(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_100000210202 [0,3,0,0,0,0|1,0,0]=4 23396 B13R1.4789 CCC(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_100000210202 [0,3,0,0,0,0|1,0,0]=4 23397 B13R1.4789 CCC(=O)c1cc(cc(c1O)F)F 1458a_100011255242_100000210202 [0,3,0,0,0,0|1,0,0]=4 23398 B13R1.4789 CCC(=O)c1cc(cc(c1O)I)I 1458a_100000748652_100000210202 [0,3,0,0,0,0|1,0,0]=4 23399 B13R1.4789 CCC(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_100000210202 [0,3,0,0,0,0|1,0,0]=4 23400 B13R1.4789 CNC(=O)c1cc(cc(c1Br)Br)C 11a_106832991635_200012920551 [0,3,0,0,0,0|0,0,0]=3 23401 B13R1.4789 CNC(=O)c1cc(cc(c1Br)Br)C 1626a_100102657272_200012920551 [0,3,0,0,0,0|0,0,0]=3 23402 B13R1.4789 CNC(=O)c1cc(cc(c1Br)Br)C 240690a_100102657272_200012920551 [0,3,0,0,0,0|0,0,0]=3 23403 B13R1.4789 CNC(=O)c1cc(cc(c1Br)Br)C 527a_100102657272_200012920551 [0,3,0,0,0,0|0,0,0]=3 23404 B13R1.4789 CNC(=O)c1cc(cc(c1Br)C)C 11a_106832991635_200000701928 [0,3,0,0,0,0|0,0,0]=3 23405 B13R1.4789 CNC(=O)c1cc(cc(c1Br)C)C 1626a_100102657272_200000701928 [0,3,0,0,0,0|0,0,0]=3 23406 B13R1.4789 CNC(=O)c1cc(cc(c1Br)C)C 240690a_100102657272_200000701928 [0,3,0,0,0,0|0,0,0]=3 23407 B13R1.4789 CNC(=O)c1cc(cc(c1Br)C)C 527a_100102657272_200000701928 [0,3,0,0,0,0|0,0,0]=3 23408 B13R1.4789 CNC(=O)c1cc(cc(c1Br)F)F 11a_106832991635_100010209673 [0,3,0,0,0,0|1,0,0]=4 23409 B13R1.4789 CNC(=O)c1cc(cc(c1Br)F)F 1626a_100102657272_100010209673 [0,3,0,0,0,0|1,0,0]=4 23410 B13R1.4789 CNC(=O)c1cc(cc(c1Br)F)F 240690a_100102657272_100010209673 [0,3,0,0,0,0|1,0,0]=4 23411 B13R1.4789 CNC(=O)c1cc(cc(c1Br)F)F 527a_100102657272_100010209673 [0,3,0,0,0,0|1,0,0]=4 23412 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)Br 11a_106832991635_100012356187 [0,3,0,0,0,0|1,0,0]=4 23413 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)Br 240690a_100102657272_100012356187 [0,3,0,0,0,0|1,0,0]=4 23414 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)Br 527a_100102657272_100012356187 [0,3,0,0,0,0|1,0,0]=4 23415 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)F 11a_106832991635_100012347597 [0,3,0,0,0,0|1,0,0]=4 23416 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)F 1626a_100102657272_100012347597 [0,3,0,0,0,0|1,0,0]=4 23417 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)F 240690a_100102657272_100012347597 [0,3,0,0,0,0|1,0,0]=4 23418 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)F 527a_100102657272_100012347597 [0,3,0,0,0,0|1,0,0]=4 23419 B13R1.4789 CNC(=O)c1cc(cc(c1C)C)Br 11a_106832991635_100012920495 [0,3,0,0,0,0|0,0,0]=3 23420 B13R1.4789 CNC(=O)c1cc(cc(c1C)C)Br 1626a_100102657272_100012920495 [0,3,0,0,0,0|0,0,0]=3 23421 B13R1.4789 CNC(=O)c1cc(cc(c1C)C)Br 240690a_100102657272_100012920495 [0,3,0,0,0,0|0,0,0]=3 23422 B13R1.4789 CNC(=O)c1cc(cc(c1C)C)Br 527a_100102657272_100012920495 [0,3,0,0,0,0|0,0,0]=3 23423 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)Br 11a_106832991635_100012921640 [0,3,0,0,0,0|1,0,0]=4 23424 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)Br 1626a_100102657272_100012921640 [0,3,0,0,0,0|1,0,0]=4 23425 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)Br 240690a_100102657272_100012921640 [0,3,0,0,0,0|1,0,0]=4 23426 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)Br 527a_100102657272_100012921640 [0,3,0,0,0,0|1,0,0]=4 23427 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)F 11a_106832991635_100012177191 [0,3,0,0,0,0|1,0,0]=4 23428 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)F 1626a_100102657272_100012177191 [0,3,0,0,0,0|1,0,0]=4 23429 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)F 240690a_100102657272_100012177191 [0,3,0,0,0,0|1,0,0]=4 23430 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)F 527a_100102657272_100012177191 [0,3,0,0,0,0|1,0,0]=4 23431 B13R1.4789 CNC(=O)c1cc(cc(c1C)F)Br 11a_106832991635_100010768523 [0,3,0,0,0,0|1,0,0]=4 23432 B13R1.4789 CNC(=O)c1cc(cc(c1C)F)Br 1626a_100102657272_100010768523 [0,3,0,0,0,0|1,0,0]=4 23433 B13R1.4789 CNC(=O)c1cc(cc(c1C)F)Br 240690a_100102657272_100010768523 [0,3,0,0,0,0|1,0,0]=4 23434 B13R1.4789 CNC(=O)c1cc(cc(c1C)F)Br 527a_100102657272_100010768523 [0,3,0,0,0,0|1,0,0]=4 23435 B13R1.4789 CNC(=O)c1cc(cc(c1C)O)Br 240690a_100102657272_100011101721 [0,3,0,0,0,0|1,0,0]=4 23436 B13R1.4789 CNC(=O)c1cc(cc(c1C)O)Br 527a_100102657272_100011101721 [0,3,0,0,0,0|1,0,0]=4 23437 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)Cl 11a_106832991635_200012920481 [0,3,0,0,0,0|1,0,0]=4 23438 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)Cl 1626a_100102657272_200012920481 [0,3,0,0,0,0|1,0,0]=4 23439 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)Cl 240690a_100102657272_200012920481 [0,3,0,0,0,0|1,0,0]=4 23440 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)Cl 527a_100102657272_200012920481 [0,3,0,0,0,0|1,0,0]=4 23441 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)F 11a_106832991635_100011105905 [0,3,0,0,0,0|1,0,0]=4 23442 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)F 1626a_100102657272_100011105905 [0,3,0,0,0,0|1,0,0]=4 23443 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)F 240690a_100102657272_100011105905 [0,3,0,0,0,0|1,0,0]=4 23444 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)F 527a_100102657272_100011105905 [0,3,0,0,0,0|1,0,0]=4 23445 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)C)F 11a_106832991635_200010768536 [0,3,0,0,0,0|0,0,0]=3 23446 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)C)F 1626a_100102657272_200010768536 [0,3,0,0,0,0|0,0,0]=3 23447 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)C)F 240690a_100102657272_200010768536 [0,3,0,0,0,0|0,0,0]=3 23448 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)C)F 527a_100102657272_200010768536 [0,3,0,0,0,0|0,0,0]=3 23449 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)Cl 11a_106832991635_100011215521 [0,3,0,0,0,0|1,0,0]=4 23450 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)Cl 1626a_100102657272_100011215521 [0,3,0,0,0,0|1,0,0]=4 23451 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)Cl 240690a_100102657272_100011215521 [0,3,0,0,0,0|1,0,0]=4 23452 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)Cl 527a_100102657272_100011215521 [0,3,0,0,0,0|1,0,0]=4 23453 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)F 11a_106832991635_200010244589 [0,3,0,0,0,0|1,0,0]=4 23454 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)F 1626a_100102657272_200010244589 [0,3,0,0,0,0|1,0,0]=4 23455 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)F 240690a_100102657272_200010244589 [0,3,0,0,0,0|1,0,0]=4 23456 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)F 527a_100102657272_200010244589 [0,3,0,0,0,0|1,0,0]=4 23457 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)Cl 11a_106832991635_200012352169 [0,3,0,0,0,0|1,0,0]=4 23458 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)Cl 1626a_100102657272_200012352169 [0,3,0,0,0,0|1,0,0]=4 23459 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)Cl 240690a_100102657272_200012352169 [0,3,0,0,0,0|1,0,0]=4 23460 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)Cl 527a_100102657272_200012352169 [0,3,0,0,0,0|1,0,0]=4 23461 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)F 11a_106832991635_100009888511 [0,3,0,0,0,0|1,0,0]=4 23462 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)F 1626a_100102657272_100009888511 [0,3,0,0,0,0|1,0,0]=4 23463 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)F 240690a_100102657272_100009888511 [0,3,0,0,0,0|1,0,0]=4 23464 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)F 527a_100102657272_100009888511 [0,3,0,0,0,0|1,0,0]=4 23465 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)C 11a_106832991635_100009996753 [0,3,0,0,0,0|0,0,0]=3 23466 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)C 1626a_100102657272_100009996753 [0,3,0,0,0,0|0,0,0]=3 23467 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)C 240690a_100102657272_100009996753 [0,3,0,0,0,0|0,0,0]=3 23468 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)C 527a_100102657272_100009996753 [0,3,0,0,0,0|0,0,0]=3 23469 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)Cl 11a_106832991635_100000720295 [0,3,0,0,0,0|1,0,0]=4 23470 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)Cl 1626a_100102657272_100000720295 [0,3,0,0,0,0|1,0,0]=4 23471 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)Cl 240690a_100102657272_100000720295 [0,3,0,0,0,0|1,0,0]=4 23472 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)Cl 527a_100102657272_100000720295 [0,3,0,0,0,0|1,0,0]=4 23473 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)F 11a_106832991635_100012920464 [0,3,0,0,0,0|1,0,0]=4 23474 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)F 1626a_100102657272_100012920464 [0,3,0,0,0,0|1,0,0]=4 23475 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)F 240690a_100102657272_100012920464 [0,3,0,0,0,0|1,0,0]=4 23476 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)F 527a_100102657272_100012920464 [0,3,0,0,0,0|1,0,0]=4 23477 B13R1.4789 CNC(=O)c1cc(cc(c1F)C)Br 11a_106832991635_100012928937 [0,3,0,0,0,0|0,0,0]=3 23478 B13R1.4789 CNC(=O)c1cc(cc(c1F)C)Br 1626a_100102657272_100012928937 [0,3,0,0,0,0|0,0,0]=3 23479 B13R1.4789 CNC(=O)c1cc(cc(c1F)C)Br 240690a_100102657272_100012928937 [0,3,0,0,0,0|0,0,0]=3 23480 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)Br 11a_106832991635_100012920557 [0,3,0,0,0,0|1,0,0]=4 23481 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)Br 1626a_100102657272_100012920557 [0,3,0,0,0,0|1,0,0]=4 23482 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)Br 240690a_100102657272_100012920557 [0,3,0,0,0,0|1,0,0]=4 23483 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)I 11a_106832991635_100012920558 [0,3,0,0,0,0|1,0,0]=4 23484 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)I 1626a_100102657272_100012920558 [0,3,0,0,0,0|1,0,0]=4 23485 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)I 240690a_100102657272_100012920558 [0,3,0,0,0,0|1,0,0]=4 23486 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)Br 11a_106832991635_100012349847 [0,3,0,0,0,0|1,0,0]=4 23487 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)Br 1626a_100102657272_100012349847 [0,3,0,0,0,0|1,0,0]=4 23488 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)Br 240690a_100102657272_100012349847 [0,3,0,0,0,0|1,0,0]=4 23489 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)Br 527a_100102657272_100012349847 [0,3,0,0,0,0|1,0,0]=4 23490 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)C 11a_106832991635_100000094381 [0,3,0,0,0,0|0,0,0]=3 23491 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)C 1626a_100102657272_100000094381 [0,3,0,0,0,0|0,0,0]=3 23492 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)C 240690a_100102657272_100000094381 [0,3,0,0,0,0|0,0,0]=3 23493 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)C 527a_100102657272_100000094381 [0,3,0,0,0,0|0,0,0]=3 23494 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)F 11a_106832991635_100011217470 [0,3,0,0,0,0|1,0,0]=4 23495 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)F 1626a_100102657272_100011217470 [0,3,0,0,0,0|1,0,0]=4 23496 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)F 240690a_100102657272_100011217470 [0,3,0,0,0,0|1,0,0]=4 23497 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)F 527a_100102657272_100011217470 [0,3,0,0,0,0|1,0,0]=4 23498 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)I 11a_106832991635_100012344719 [0,3,0,0,0,0|1,0,0]=4 23499 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)I 1626a_100102657272_100012344719 [0,3,0,0,0,0|1,0,0]=4 23500 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)I 240690a_100102657272_100012344719 [0,3,0,0,0,0|1,0,0]=4 23501 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)I 527a_100102657272_100012344719 [0,3,0,0,0,0|1,0,0]=4 23502 B13R1.4789 CNC(=O)c1cc(cc(c1I)I)I 11a_106832991635_100000211575 [0,3,0,0,0,0|1,0,0]=4 23503 B13R1.4789 CNC(=O)c1cc(cc(c1I)I)I 1626a_100102657272_100000211575 [0,3,0,0,0,0|1,0,0]=4 23504 B13R1.4789 CNC(=O)c1cc(cc(c1I)I)I 240690a_100102657272_100000211575 [0,3,0,0,0,0|1,0,0]=4 23505 B13R1.4789 CNC(=O)c1cc(cc(c1I)I)I 527a_100102657272_100000211575 [0,3,0,0,0,0|1,0,0]=4 23506 B13R1.4789 CNC(=O)c1cc(cc(c1N)C)O 271570a_203496583355_100010284104 [0,3,0,0,0,0|0,0,0]=3 23507 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Br 240690a_100102657272_100000212120 [0,3,0,0,0,0|1,0,0]=4 23508 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Br 527a_100102657272_100000212120 [0,3,0,0,0,0|1,0,0]=4 23509 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Cl 240690a_100102657272_100000765379 [0,3,0,0,0,0|1,0,0]=4 23510 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Cl 527a_100102657272_100000765379 [0,3,0,0,0,0|1,0,0]=4 23511 B13R1.4789 CNC(=O)c1cc(cc(c1O)C)Br 240690a_100102657272_100011825902 [0,3,0,0,0,0|0,0,0]=3 23512 B13R1.4789 CNC(=O)c1cc(cc(c1O)C)Cl 240690a_100102657272_100011255218 [0,3,0,0,0,0|0,0,0]=3 23513 B13R1.4789 CNC(=O)c1cc(cc(c1O)C)Cl 527a_100102657272_100011255218 [0,3,0,0,0,0|0,0,0]=3 23514 B13R1.4789 CNC(=O)c1cc(cc(c1O)Cl)Cl 240690a_100102657272_100000215963 [0,3,0,0,0,0|1,0,0]=4 23515 B13R1.4789 CNC(=O)c1cc(cc(c1O)Cl)Cl 527a_100102657272_100000215963 [0,3,0,0,0,0|1,0,0]=4 23516 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)Br 240690a_100102657272_100011255233 [0,3,0,0,0,0|1,0,0]=4 23517 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)Br 527a_100102657272_100011255233 [0,3,0,0,0,0|1,0,0]=4 23518 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)F 240690a_100102657272_100011255242 [0,3,0,0,0,0|1,0,0]=4 23519 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)F 527a_100102657272_100011255242 [0,3,0,0,0,0|1,0,0]=4 23520 B13R1.4789 CNC(=O)c1cc(cc(c1O)I)I 1626a_100102657272_100000748652 [0,3,0,0,0,0|1,0,0]=4 23521 B13R1.4789 CNC(=O)c1cc(cc(c1O)I)I 240690a_100102657272_100000748652 [0,3,0,0,0,0|1,0,0]=4 23522 B13R1.4789 COC(=O)c1cc(cc(c1C)Br)O 271570a_203496583355_100012569200 [0,3,0,0,0,0|1,0,0]=4 23523 B13R1.4789 COC(=O)c1cc(cc(c1C)F)O 271570a_203496583355_100015527428 [0,3,0,0,0,0|1,0,0]=4 23524 B13R1.4789 COC(=O)c1cc(cc(c1C)N)O 271570a_203496583355_100012257200 [0,3,0,0,0,0|1,0,0]=4 23525 B13R1.4789 COC(=O)c1cc(cc(c1C)O)F 271570a_203496583355_100012347598 [0,3,0,0,0,0|1,0,0]=4 23526 B13R1.4789 COC(=O)c1cc(cc(c1C)O)O 271570a_203496583355_200011012443 [0,3,0,0,0,0|1,0,0]=4 23527 B13R1.4789 COC(=O)c1cc(cc(c1F)C)O 271570a_203496583355_200012928940 [0,3,0,0,0,0|0,0,0]=3 23528 B13R1.4789 COC(=O)c1cc(cc(c1F)F)O 271570a_203496583355_100012362532 [0,3,0,0,0,0|1,0,0]=4 23529 B13R1.4789 COC(=O)c1cc(cc(c1F)N)O 271570a_203496583355_100011794250 [0,3,0,0,0,0|1,0,0]=4 23530 B13R1.4789 COC(=O)c1cc(cc(c1N)C)O 271570a_203496583355_100011356660 [0,3,0,0,0,0|0,0,0]=3 23531 B13R1.4789 COC(=O)c1cc(cc(c1N)N)O 271570a_203496583355_100010127340 [0,3,0,0,0,0|1,0,0]=4 23532 B13R1.4789 COC(=O)c1cc(cc(c1N)O)Br 271570a_203496583355_100010726126 [0,3,0,0,0,0|1,0,0]=4 23533 B13R1.4789 COC(=O)c1cc(cc(c1N)O)C 271570a_203496583355_100000216481 [0,3,0,0,0,0|0,0,0]=3 23534 B13R1.4789 COC(=O)c1cc(cc(c1N)O)Cl 271570a_203496583355_100000043629 [0,3,0,0,0,0|1,0,0]=4 23535 B13R1.4789 COC(=O)c1cc(cc(c1O)C)F 271570a_203496583355_100016049047 [0,3,0,0,0,0|0,0,0]=3 23536 B13R1.4789 COC(=O)c1cc(cc(c1O)F)F 271570a_203496583355_100010155431 [0,3,0,0,0,0|1,0,0]=4 23537 B13R1.4789 COC(=O)c1cc(cc(c1O)N)F 271570a_203496583355_100011794234 [0,3,0,0,0,0|1,0,0]=4 23538 B13R1.4789 COC(=O)c1cc(cc(c1O)O)Br 271570a_203496583355_100009996593 [0,3,0,0,0,0|1,0,0]=4 23539 B13R1.4789 Cc1c(cc(cc1C(=O)CF)Br)Br 1458a_100012356187_100015361967 [0,3,0,0,0,0|1,0,0]=4 23540 B13R1.4789 Cc1c(cc(cc1C(=O)CF)Br)Cl 1458a_100012921640_100015361967 [0,3,0,0,0,0|1,0,0]=4 23541 B13R1.4789 Cc1c(cc(cc1C(=O)CF)Br)F 1458a_100010768523_100015361967 [0,3,0,0,0,0|1,0,0]=4 23542 B13R1.4789 Cc1c(cc(cc1C(=O)CF)Br)O 1458a_100011101721_100015361967 [0,3,0,0,0,0|1,0,0]=4 23543 B13R1.4789 Cc1c(cc(cc1C(=O)CF)F)Br 1458a_100012347597_100015361967 [0,3,0,0,0,0|1,0,0]=4 23544 B13R1.4789 Cc1c(cc(cc1C(=O)CF)F)Cl 1458a_100012177191_100015361967 [0,3,0,0,0,0|1,0,0]=4 23545 B13R1.4789 Cc1cc(c(c(c1)C(=O)CF)Br)Br 1458a_200012920551_100015361967 [0,3,0,0,0,0|0,0,0]=3 23546 B13R1.4789 Cc1cc(c(c(c1)C(=O)CF)Br)C 1458a_200000701928_100015361967 [0,3,0,0,0,0|0,0,0]=3 23547 B13R1.4789 Cc1cc(c(c(c1)C(=O)CF)F)Br 1458a_100009996753_100015361967 [0,3,0,0,0,0|0,0,0]=3 23548 B13R1.4789 Cc1cc(c(c(c1)C(=O)CF)F)F 1458a_100000094381_100015361967 [0,3,0,0,0,0|0,0,0]=3 23549 B13R1.4789 Cc1cc(cc(c1C)C(=O)CF)Br 1458a_100012920495_100015361967 [0,3,0,0,0,0|0,0,0]=3 23550 B13R1.4789 Cc1cc(cc(c1Cl)C(=O)CF)F 1458a_200010768536_100015361967 [0,3,0,0,0,0|0,0,0]=3 23551 B13R1.4789 Cc1cc(cc(c1F)C(=O)CF)Br 1458a_100012928937_100015361967 [0,3,0,0,0,0|0,0,0]=3 23552 B13R1.4789 Cc1cc(cc(c1O)C(=O)CF)Br 1458a_100011825902_100015361967 [0,3,0,0,0,0|0,0,0]=3 23553 B13R1.4789 Cc1cc(cc(c1O)C(=O)CF)Cl 1458a_100011255218_100015361967 [0,3,0,0,0,0|0,0,0]=3 23554 B13R1.4789 O=C(CF)c1cc(cc(c1Br)F)F 1458a_100010209673_100015361967 [0,3,0,0,0,0|1,0,0]=4 23555 B13R1.4789 O=C(CF)c1cc(cc(c1Cl)Br)Cl 1458a_200012920481_100015361967 [0,3,0,0,0,0|1,0,0]=4 23556 B13R1.4789 O=C(CF)c1cc(cc(c1Cl)Br)F 1458a_100011105905_100015361967 [0,3,0,0,0,0|1,0,0]=4 23557 B13R1.4789 O=C(CF)c1cc(cc(c1Cl)Cl)Cl 1458a_100011215521_100015361967 [0,3,0,0,0,0|1,0,0]=4 23558 B13R1.4789 O=C(CF)c1cc(cc(c1Cl)Cl)F 1458a_200010244589_100015361967 [0,3,0,0,0,0|1,0,0]=4 23559 B13R1.4789 O=C(CF)c1cc(cc(c1Cl)F)Cl 1458a_200012352169_100015361967 [0,3,0,0,0,0|1,0,0]=4 23560 B13R1.4789 O=C(CF)c1cc(cc(c1Cl)F)F 1458a_100009888511_100015361967 [0,3,0,0,0,0|1,0,0]=4 23561 B13R1.4789 O=C(CF)c1cc(cc(c1F)Br)Cl 1458a_100000720295_100015361967 [0,3,0,0,0,0|1,0,0]=4 23562 B13R1.4789 O=C(CF)c1cc(cc(c1F)Br)F 1458a_100012920464_100015361967 [0,3,0,0,0,0|1,0,0]=4 23563 B13R1.4789 O=C(CF)c1cc(cc(c1F)Cl)Br 1458a_100012920557_100015361967 [0,3,0,0,0,0|1,0,0]=4 23564 B13R1.4789 O=C(CF)c1cc(cc(c1F)Cl)I 1458a_100012920558_100015361967 [0,3,0,0,0,0|1,0,0]=4 23565 B13R1.4789 O=C(CF)c1cc(cc(c1F)F)Br 1458a_100012349847_100015361967 [0,3,0,0,0,0|1,0,0]=4 23566 B13R1.4789 O=C(CF)c1cc(cc(c1F)F)F 1458a_100011217470_100015361967 [0,3,0,0,0,0|1,0,0]=4 23567 B13R1.4789 O=C(CF)c1cc(cc(c1F)F)I 1458a_100012344719_100015361967 [0,3,0,0,0,0|1,0,0]=4 23568 B13R1.4789 O=C(CF)c1cc(cc(c1I)I)I 1458a_100000211575_100015361967 [0,3,0,0,0,0|1,0,0]=4 23569 B13R1.4789 O=C(CF)c1cc(cc(c1O)Br)Br 1458a_100000212120_100015361967 [0,3,0,0,0,0|1,0,0]=4 23570 B13R1.4789 O=C(CF)c1cc(cc(c1O)Br)Cl 1458a_100000765379_100015361967 [0,3,0,0,0,0|1,0,0]=4 23571 B13R1.4789 O=C(CF)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_100015361967 [0,3,0,0,0,0|1,0,0]=4 23572 B13R1.4789 O=C(CF)c1cc(cc(c1O)F)Br 1458a_100011255233_100015361967 [0,3,0,0,0,0|1,0,0]=4 23573 B13R1.4789 O=C(CF)c1cc(cc(c1O)F)F 1458a_100011255242_100015361967 [0,3,0,0,0,0|1,0,0]=4 23574 B13R1.4789 O=C(CF)c1cc(cc(c1O)I)I 1458a_100000748652_100015361967 [0,3,0,0,0,0|1,0,0]=4 23575 B13R1.4789 O=C(CF)c1cc(cc(c1O)O)Br 1458a_200010196872_100015361967 [0,3,0,0,0,0|1,0,0]=4 23576 B13R1.2209 C=Cc1ccc(cc1C(=O)NC)Cl 271570a_100011290941_200011279454 [0,3,0,0,0,0|1,0,0]=4 23577 B13R1.2209 C=Cc1ccc(cc1C(=O)NC)F 271570a_100011290941_200000206232 [0,3,0,0,0,0|1,0,0]=4 23578 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)Br 271570a_100011290941_100000148213 [0,3,0,0,0,0|1,0,0]=4 23579 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)C 271570a_100011290941_100012339458 [0,3,0,0,0,0|0,0,0]=3 23580 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)Cl 271570a_100011290941_100011294804 [0,3,0,0,0,0|1,0,0]=4 23581 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)F 271570a_100011290941_100000205820 [0,3,0,0,0,0|1,0,0]=4 23582 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)N 271570a_100011290941_100000696289 [0,3,0,0,0,0|1,0,0]=4 23583 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)O 271570a_100011290941_100010230369 [0,3,0,0,0,0|1,0,0]=4 23584 B13R1.2209 C=Cc1ncc(cc1C(=O)OC)C 271570a_100011290941_100000085774 [0,3,0,0,0,0|1,0,0]=4 23585 B13R1.2209 CCC(=O)c1cc(ccc1C#N)F 1458a_100011217471_100000210202 [0,3,0,0,0,0|1,0,0]=4 23586 B13R1.2209 CCC(=O)c1cc(ccc1CC)Br 1458a_100012343961_100000210202 [0,3,0,0,0,0|1,0,0]=4 23587 B13R1.2209 CCC(=O)c1cc(ccc1OC)Br 1458a_100000188853_100000210202 [0,3,0,0,0,0|1,0,0]=4 23588 B13R1.2209 CCC(=O)c1cc(ccc1OC)Br 7a_100000183607_200000210301 [0,3,0,0,0,0|1,0,0]=4 23589 B13R1.2209 CCC(=O)c1cc(ccc1OC)C 1458a_100000204667_100000210202 [0,3,0,0,0,0|0,0,0]=3 23590 B13R1.2209 CCC(=O)c1cc(ccc1OC)C 7a_100000183590_200000210301 [0,3,0,0,0,0|0,0,0]=3 23591 B13R1.2209 CCC(=O)c1cc(ccc1OC)Cl 1458a_100000211409_100000210202 [0,3,0,0,0,0|1,0,0]=4 23592 B13R1.2209 CCC(=O)c1cc(ccc1OC)Cl 7a_100000181482_200000210301 [0,3,0,0,0,0|1,0,0]=4 23593 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 1458a_100000735445_100000210202 [0,3,0,0,0,0|1,0,0]=4 23594 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 34a_100000183209_200000210301 [0,3,0,0,0,0|1,0,0]=4 23595 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 7a_100000183209_200000210301 [0,3,0,0,0,0|1,0,0]=4 23596 B13R1.2209 CCC(=O)c1cc(ccc1OC)I 1458a_100000230898_100000210202 [0,3,0,0,0,0|1,0,0]=4 23597 B13R1.2209 CCC(=O)c1cc(ccc1OC)O 1458a_200000100057_100000210202 [0,3,0,0,0,0|1,0,0]=4 23598 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])Br 7a_100000183607_200025704644 [0,3,0,0,0,0|1,0,0]=4 23599 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])C 7a_100000183590_200025704644 [0,3,0,0,0,0|0,0,0]=3 23600 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000181482_200025704644 [0,3,0,0,0,0|1,0,0]=4 23601 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])F 34a_100000183209_200025704644 [0,3,0,0,0,0|1,0,0]=4 23602 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])F 7a_100000183209_200025704644 [0,3,0,0,0,0|1,0,0]=4 23603 B13R1.2209 CCc1ccc(cc1C(=O)CF)Br 1458a_100012343961_100015361967 [0,3,0,0,0,0|1,0,0]=4 23604 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 11a_106832991635_100012343961 [0,3,0,0,0,0|1,0,0]=4 23605 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 1626a_100102657272_100012343961 [0,3,0,0,0,0|1,0,0]=4 23606 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 240690a_100102657272_100012343961 [0,3,0,0,0,0|1,0,0]=4 23607 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 527a_100102657272_100012343961 [0,3,0,0,0,0|1,0,0]=4 23608 B13R1.2209 CCc1ccc(cc1C(=O)OC)O 271570a_203496583355_100012360140 [0,3,0,0,0,0|1,0,0]=4 23609 B13R1.2209 CNC(=O)c1cc(ccc1C#N)F 11a_106832991635_100011217471 [0,3,0,0,0,0|1,0,0]=4 23610 B13R1.2209 CNC(=O)c1cc(ccc1C#N)F 1626a_100102657272_100011217471 [0,3,0,0,0,0|1,0,0]=4 23611 B13R1.2209 CNC(=O)c1cc(ccc1NC)Br 34a_100000690504_200000210301 [0,3,0,0,0,0|1,0,0]=4 23612 B13R1.2209 CNC(=O)c1cc(ccc1NC)Cl 27a_100102657272_200011279454 [0,3,0,0,0,0|1,0,0]=4 23613 B13R1.2209 CNC(=O)c1cc(ccc1NC)Cl 34a_100000739363_200000210301 [0,3,0,0,0,0|1,0,0]=4 23614 B13R1.2209 CNC(=O)c1cc(ccc1NC)F 27a_100102657272_200000206232 [0,3,0,0,0,0|1,0,0]=4 23615 B13R1.2209 CNC(=O)c1cc(ccc1N[13CH3])Br 34a_100000690504_200025704644 [0,3,0,0,0,0|1,0,0]=4 23616 B13R1.2209 CNC(=O)c1cc(ccc1N[13CH3])Cl 34a_100000739363_200025704644 [0,3,0,0,0,0|1,0,0]=4 23617 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 11a_106832991635_100000188853 [0,3,0,0,0,0|1,0,0]=4 23618 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 1626a_100102657272_100000188853 [0,3,0,0,0,0|1,0,0]=4 23619 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 240690a_100102657272_100000188853 [0,3,0,0,0,0|1,0,0]=4 23620 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 527a_100102657272_100000188853 [0,3,0,0,0,0|1,0,0]=4 23621 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 11a_106832991635_100000204667 [0,3,0,0,0,0|0,0,0]=3 23622 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 1626a_100102657272_100000204667 [0,3,0,0,0,0|0,0,0]=3 23623 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 240690a_100102657272_100000204667 [0,3,0,0,0,0|0,0,0]=3 23624 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 527a_100102657272_100000204667 [0,3,0,0,0,0|0,0,0]=3 23625 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 11a_106832991635_100000211409 [0,3,0,0,0,0|1,0,0]=4 23626 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 1626a_100102657272_100000211409 [0,3,0,0,0,0|1,0,0]=4 23627 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 240690a_100102657272_100000211409 [0,3,0,0,0,0|1,0,0]=4 23628 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 527a_100102657272_100000211409 [0,3,0,0,0,0|1,0,0]=4 23629 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 11a_106832991635_100000735445 [0,3,0,0,0,0|1,0,0]=4 23630 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 1626a_100102657272_100000735445 [0,3,0,0,0,0|1,0,0]=4 23631 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 240690a_100102657272_100000735445 [0,3,0,0,0,0|1,0,0]=4 23632 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 527a_100102657272_100000735445 [0,3,0,0,0,0|1,0,0]=4 23633 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 11a_106832991635_100000230898 [0,3,0,0,0,0|1,0,0]=4 23634 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 1626a_100102657272_100000230898 [0,3,0,0,0,0|1,0,0]=4 23635 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 240690a_100102657272_100000230898 [0,3,0,0,0,0|1,0,0]=4 23636 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 527a_100102657272_100000230898 [0,3,0,0,0,0|1,0,0]=4 23637 B13R1.2209 CNC(=O)c1cc(ccc1OC)O 240690a_100102657272_200000100057 [0,3,0,0,0,0|1,0,0]=4 23638 B13R1.2209 CNC(=O)c1cc(ccc1OC)O 527a_100102657272_200000100057 [0,3,0,0,0,0|1,0,0]=4 23639 B13R1.2209 CNC(=O)c1cc(ccc1SC)Cl 62a_200000210301_200011279454 [0,3,0,0,0,0|1,0,0]=4 23640 B13R1.2209 CNC(=O)c1cc(ccc1SC)Cl 62a_200011279454_200000210301 [0,3,0,0,0,0|1,0,0]=4 23641 B13R1.2209 CNC(=O)c1cc(ccc1SC)F 62a_200000206232_200000210301 [0,3,0,0,0,0|1,0,0]=4 23642 B13R1.2209 CNC(=O)c1cc(ccc1SC)F 62a_200000210301_200000206232 [0,3,0,0,0,0|1,0,0]=4 23643 B13R1.2209 CNC(=O)c1cc(ccc1S[13CH3])Cl 62a_200011279454_200025704644 [0,3,0,0,0,0|1,0,0]=4 23644 B13R1.2209 CNC(=O)c1cc(ccc1S[13CH3])Cl 62a_200025704644_200011279454 [0,3,0,0,0,0|1,0,0]=4 23645 B13R1.2209 CNC(=O)c1cc(ccc1S[13CH3])F 62a_200000206232_200025704644 [0,3,0,0,0,0|1,0,0]=4 23646 B13R1.2209 CNC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_200000206232 [0,3,0,0,0,0|1,0,0]=4 23647 B13R1.2209 CNc1ccc(cc1C(=O)OC)O 271570a_203496583355_200000216482 [0,3,0,0,0,0|1,0,0]=4 23648 B13R1.2209 CNc1ncc(cc1C(=O)OC)C 27a_100102657272_100000085774 [0,3,0,0,0,0|1,0,0]=4 23649 B13R1.2209 COC(=O)c1cc(ccc1C#N)O 271570a_203496583355_100010201442 [0,3,0,0,0,0|1,0,0]=4 23650 B13R1.2209 COC(=O)c1cc(ccc1C=O)O 271570a_203496583355_100012355575 [0,3,0,0,0,0|1,0,0]=4 23651 B13R1.2209 COC(=O)c1cc(ccc1CN)O 271570a_203496583355_100016992124 [0,3,0,0,0,0|1,0,0]=4 23652 B13R1.2209 COC(=O)c1cc(ccc1OC)Br 34a_100000149267_200000210301 [0,3,0,0,0,0|1,0,0]=4 23653 B13R1.2209 COC(=O)c1cc(ccc1OC)Br 7a_100000149267_200000210301 [0,3,0,0,0,0|1,0,0]=4 23654 B13R1.2209 COC(=O)c1cc(ccc1OC)C 34a_100000216618_200000210301 [0,3,0,0,0,0|0,0,0]=3 23655 B13R1.2209 COC(=O)c1cc(ccc1OC)C 7a_100000216618_200000210301 [0,3,0,0,0,0|0,0,0]=3 23656 B13R1.2209 COC(=O)c1cc(ccc1OC)Cl 34a_100000149278_200000210301 [0,3,0,0,0,0|1,0,0]=4 23657 B13R1.2209 COC(=O)c1cc(ccc1OC)Cl 7a_100000149278_200000210301 [0,3,0,0,0,0|1,0,0]=4 23658 B13R1.2209 COC(=O)c1cc(ccc1OC)F 34a_100011219540_200000210301 [0,3,0,0,0,0|1,0,0]=4 23659 B13R1.2209 COC(=O)c1cc(ccc1OC)F 7a_100011219540_200000210301 [0,3,0,0,0,0|1,0,0]=4 23660 B13R1.2209 COC(=O)c1cc(ccc1OC)I 34a_100000149868_200000210301 [0,3,0,0,0,0|1,0,0]=4 23661 B13R1.2209 COC(=O)c1cc(ccc1OC)I 7a_100000149868_200000210301 [0,3,0,0,0,0|1,0,0]=4 23662 B13R1.2209 COC(=O)c1cc(ccc1OC)N 34a_100011246163_200000210301 [0,3,0,0,0,0|1,0,0]=4 23663 B13R1.2209 COC(=O)c1cc(ccc1OC)N 7a_100011246163_200000210301 [0,3,0,0,0,0|1,0,0]=4 23664 B13R1.2209 COC(=O)c1cc(ccc1OC)O 271570a_203496583355_100012047238 [0,3,0,0,0,0|1,0,0]=4 23665 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Br 34a_100000149267_200025704644 [0,3,0,0,0,0|1,0,0]=4 23666 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Br 7a_100000149267_200025704644 [0,3,0,0,0,0|1,0,0]=4 23667 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])C 34a_100000216618_200025704644 [0,3,0,0,0,0|0,0,0]=3 23668 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])C 7a_100000216618_200025704644 [0,3,0,0,0,0|0,0,0]=3 23669 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000149278_200025704644 [0,3,0,0,0,0|1,0,0]=4 23670 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000149278_200025704644 [0,3,0,0,0,0|1,0,0]=4 23671 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])F 34a_100011219540_200025704644 [0,3,0,0,0,0|1,0,0]=4 23672 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])F 7a_100011219540_200025704644 [0,3,0,0,0,0|1,0,0]=4 23673 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])I 34a_100000149868_200025704644 [0,3,0,0,0,0|1,0,0]=4 23674 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])I 7a_100000149868_200025704644 [0,3,0,0,0,0|1,0,0]=4 23675 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])N 34a_100011246163_200025704644 [0,3,0,0,0,0|1,0,0]=4 23676 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])N 7a_100011246163_200025704644 [0,3,0,0,0,0|1,0,0]=4 23677 B13R1.2209 COC(=O)c1cc(ccc1SC)Br 62a_100000148213_200000210301 [0,3,0,0,0,0|1,0,0]=4 23678 B13R1.2209 COC(=O)c1cc(ccc1SC)Br 62a_200000210301_100000148213 [0,3,0,0,0,0|1,0,0]=4 23679 B13R1.2209 COC(=O)c1cc(ccc1SC)C 62a_100012339458_200000210301 [0,3,0,0,0,0|0,0,0]=3 23680 B13R1.2209 COC(=O)c1cc(ccc1SC)C 62a_200000210301_100012339458 [0,3,0,0,0,0|0,0,0]=3 23681 B13R1.2209 COC(=O)c1cc(ccc1SC)Cl 62a_100011294804_200000210301 [0,3,0,0,0,0|1,0,0]=4 23682 B13R1.2209 COC(=O)c1cc(ccc1SC)Cl 62a_200000210301_100011294804 [0,3,0,0,0,0|1,0,0]=4 23683 B13R1.2209 COC(=O)c1cc(ccc1SC)F 62a_100000205820_200000210301 [0,3,0,0,0,0|1,0,0]=4 23684 B13R1.2209 COC(=O)c1cc(ccc1SC)F 62a_200000210301_100000205820 [0,3,0,0,0,0|1,0,0]=4 23685 B13R1.2209 COC(=O)c1cc(ccc1SC)N 62a_100000696289_200000210301 [0,3,0,0,0,0|1,0,0]=4 23686 B13R1.2209 COC(=O)c1cc(ccc1SC)N 62a_200000210301_100011794239 [0,3,0,0,0,0|1,0,0]=4 23687 B13R1.2209 COC(=O)c1cc(ccc1SC)O 271570a_203496583355_200010204078 [0,3,0,0,0,0|1,0,0]=4 23688 B13R1.2209 COC(=O)c1cc(ccc1SC)O 62a_100010230369_200000210301 [0,3,0,0,0,0|1,0,0]=4 23689 B13R1.2209 COC(=O)c1cc(ccc1SC)O 62a_200000210301_100010230369 [0,3,0,0,0,0|1,0,0]=4 23690 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])Br 62a_100000148213_200025704644 [0,3,0,0,0,0|1,0,0]=4 23691 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])Br 62a_200025704644_100000148213 [0,3,0,0,0,0|1,0,0]=4 23692 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])C 62a_100012339458_200025704644 [0,3,0,0,0,0|0,0,0]=3 23693 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012339458 [0,3,0,0,0,0|0,0,0]=3 23694 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])Cl 62a_100011294804_200025704644 [0,3,0,0,0,0|1,0,0]=4 23695 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])Cl 62a_200025704644_100011294804 [0,3,0,0,0,0|1,0,0]=4 23696 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])F 62a_100000205820_200025704644 [0,3,0,0,0,0|1,0,0]=4 23697 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100000205820 [0,3,0,0,0,0|1,0,0]=4 23698 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])N 62a_100000696289_200025704644 [0,3,0,0,0,0|1,0,0]=4 23699 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])N 62a_200025704644_100011794239 [0,3,0,0,0,0|1,0,0]=4 23700 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])O 62a_100010230369_200025704644 [0,3,0,0,0,0|1,0,0]=4 23701 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])O 62a_200025704644_100010230369 [0,3,0,0,0,0|1,0,0]=4 23702 B13R1.2209 COC(=O)c1cc(cnc1SC)C 62a_100010162703_200000210301 [0,3,0,0,0,0|1,0,0]=4 23703 B13R1.2209 COC(=O)c1cc(cnc1SC)C 62a_200000210301_100000085774 [0,3,0,0,0,0|1,0,0]=4 23704 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])C 62a_100010162703_200025704644 [0,3,0,0,0,0|1,0,0]=4 23705 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])C 62a_200025704644_100000085774 [0,3,0,0,0,0|1,0,0]=4 23706 B13R1.2209 COC(=O)c1nc(ccc1OC)C 34a_100009869402_200000210301 [0,3,0,0,0,0|1,0,0]=4 23707 B13R1.2209 COC(=O)c1nc(ccc1OC)C 7a_100009869402_200000210301 [0,3,0,0,0,0|1,0,0]=4 23708 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])C 34a_100009869402_200025704644 [0,3,0,0,0,0|1,0,0]=4 23709 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])C 7a_100009869402_200025704644 [0,3,0,0,0,0|1,0,0]=4 23710 B13R1.2209 COc1ccc(cc1C(=O)CBr)Br 7a_200009828000_200000210301 [0,3,0,0,0,0|1,0,0]=4 23711 B13R1.2209 COc1ccc(cc1C(=O)CBr)Cl 7a_200009816716_200000210301 [0,3,0,0,0,0|1,0,0]=4 23712 B13R1.2209 COc1ccc(cc1C(=O)CBr)F 7a_100009814381_200000210301 [0,3,0,0,0,0|1,0,0]=4 23713 B13R1.2209 COc1ccc(cc1C(=O)CCl)F 7a_100000047744_200000210301 [0,3,0,0,0,0|1,0,0]=4 23714 B13R1.2209 COc1ccc(cc1C(=O)CF)Br 1458a_100000188853_100015361967 [0,3,0,0,0,0|1,0,0]=4 23715 B13R1.2209 COc1ccc(cc1C(=O)CF)C 1458a_100000204667_100015361967 [0,3,0,0,0,0|0,0,0]=3 23716 B13R1.2209 COc1ccc(cc1C(=O)CF)Cl 1458a_100000211409_100015361967 [0,3,0,0,0,0|1,0,0]=4 23717 B13R1.2209 COc1ccc(cc1C(=O)CF)F 1458a_100000735445_100015361967 [0,3,0,0,0,0|1,0,0]=4 23718 B13R1.2209 COc1ccc(cc1C(=O)CF)I 1458a_100000230898_100015361967 [0,3,0,0,0,0|1,0,0]=4 23719 B13R1.2209 COc1ccc(cc1C(=O)CF)O 1458a_200000100057_100015361967 [0,3,0,0,0,0|1,0,0]=4 23720 B13R1.2209 COc1ccc(cc1C(=O)NN)C 34a_200000193374_200000210301 [0,3,0,0,0,0|1,0,0]=4 23721 B13R1.2209 Cc1ccc(c(c1)C(=O)NN)O[13CH3] 34a_200000193374_200025704644 [0,3,0,0,0,0|1,0,0]=4 23722 B13R1.2209 N#Cc1ccc(cc1C(=O)CF)F 1458a_100011217471_100015361967 [0,3,0,0,0,0|1,0,0]=4 23723 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CBr)Br 7a_200009828000_200025704644 [0,3,0,0,0,0|1,0,0]=4 23724 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CBr)Cl 7a_200009816716_200025704644 [0,3,0,0,0,0|1,0,0]=4 23725 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CBr)F 7a_100009814381_200025704644 [0,3,0,0,0,0|1,0,0]=4 23726 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CCl)F 7a_100000047744_200025704644 [0,3,0,0,0,0|1,0,0]=4 23727 B13R1.2431 C=Cc1ccc(c(c1)C(=O)CC)O 271570a_100011290941_100000183607 [0,3,0,0,0,0|0,0,1]=4 23728 B13R1.2431 C=Cc1ccc(c(c1)C(=O)NC)F 271570a_100011290941_100000155058 [0,3,0,0,0,0|0,0,1]=4 23729 B13R1.2431 C=Cc1ccc(c(c1)C(=O)NC)N 271570a_100011290941_100000690504 [0,3,0,0,0,0|0,0,1]=4 23730 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)Br 271570a_100011290941_100012340073 [0,3,0,0,0,0|0,0,1]=4 23731 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)C 271570a_100011290941_100012360116 [0,3,0,0,0,0|0,0,1]=4 23732 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)Cl 271570a_100011290941_100012353682 [0,3,0,0,0,0|0,0,1]=4 23733 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)F 271570a_100011290941_100000154357 [0,3,0,0,0,0|0,0,1]=4 23734 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)N 271570a_100011290941_100000212070 [0,3,0,0,0,0|0,0,1]=4 23735 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)O 271570a_100011290941_100000149868 [0,3,0,0,0,0|0,0,1]=4 23736 B13R1.2431 CCC(=O)c1cc(ccc1Br)C#N 1458a_100012361338_100000210202 [0,3,0,0,0,0|0,0,1]=4 23737 B13R1.2431 CCC(=O)c1cc(ccc1Br)CO 1458a_100010259715_100000210202 [0,3,0,0,0,0|0,0,0]=3 23738 B13R1.2431 CCC(=O)c1cc(ccc1Br)OC 1458a_100000211723_100000210202 [0,3,0,0,0,0|0,0,0]=3 23739 B13R1.2431 CCC(=O)c1cc(ccc1C)C#N 1458a_200012187059_100000210202 [0,3,0,0,0,0|0,0,1]=4 23740 B13R1.2431 CCC(=O)c1cc(ccc1C)OC 1458a_100011399813_100000210202 [0,3,0,0,0,0|0,0,0]=3 23741 B13R1.2431 CCC(=O)c1cc(ccc1Cl)C#N 1458a_100000729836_100000210202 [0,3,0,0,0,0|0,0,1]=4 23742 B13R1.2431 CCC(=O)c1cc(ccc1Cl)OC 1458a_100000763818_100000210202 [0,3,0,0,0,0|0,0,0]=3 23743 B13R1.2431 CCC(=O)c1cc(ccc1Cl)SC 1458a_100000212015_100000210202 [0,3,0,0,0,0|0,0,0]=3 23744 B13R1.2431 CCC(=O)c1cc(ccc1F)C#N 1458a_100011218479_100000210202 [0,3,0,0,0,0|0,0,1]=4 23745 B13R1.2431 CCC(=O)c1cc(ccc1F)OC 1458a_100011217016_100000210202 [0,3,0,0,0,0|0,0,0]=3 23746 B13R1.2431 CCC(=O)c1cc(ccc1F)SC 1458a_200012183283_100000210202 [0,3,0,0,0,0|0,0,0]=3 23747 B13R1.2431 CCC(=O)c1cc(ccc1I)C#N 1458a_200010191847_100000210202 [0,3,0,0,0,0|0,0,1]=4 23748 B13R1.2431 CCC(=O)c1cc(ccc1I)OC 1458a_100012339533_100000210202 [0,3,0,0,0,0|0,0,0]=3 23749 B13R1.2431 CCC(=O)c1cc(ccc1O)C#N 1458a_100000719980_100000210202 [0,3,0,0,0,0|0,0,1]=4 23750 B13R1.2431 CCC(=O)c1cc(ccc1O)CC 1458a_200000748397_100000210202 [0,3,0,0,0,0|0,0,0]=3 23751 B13R1.2431 CCC(=O)c1cc(ccc1O)CO 1458a_200000045694_100000210202 [0,3,0,0,0,0|0,0,0]=3 23752 B13R1.2431 CCC(=O)c1cc(ccc1O)OC 1458a_100000211986_100000210202 [0,3,0,0,0,0|0,0,0]=3 23753 B13R1.2431 CCc1ccc(c(c1)C(=O)CF)O 1458a_200000748397_100015361967 [0,3,0,0,0,0|0,0,0]=3 23754 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O 240690a_100102657272_200000748397 [0,3,0,0,0,0|0,0,0]=3 23755 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O 527a_100102657272_200000748397 [0,3,0,0,0,0|0,0,0]=3 23756 B13R1.2431 CNC(=O)c1cc(ccc1Br)C#N 11a_106832991635_100012361338 [0,3,0,0,0,0|0,0,1]=4 23757 B13R1.2431 CNC(=O)c1cc(ccc1Br)C#N 1626a_100102657272_100012361338 [0,3,0,0,0,0|0,0,1]=4 23758 B13R1.2431 CNC(=O)c1cc(ccc1Br)C#N 240690a_100102657272_100012361338 [0,3,0,0,0,0|0,0,1]=4 23759 B13R1.2431 CNC(=O)c1cc(ccc1Br)C#N 527a_100102657272_100012361338 [0,3,0,0,0,0|0,0,1]=4 23760 B13R1.2431 CNC(=O)c1cc(ccc1Br)CO 240690a_100102657272_100010259715 [0,3,0,0,0,0|0,0,0]=3 23761 B13R1.2431 CNC(=O)c1cc(ccc1Br)OC 11a_106832991635_100000211723 [0,3,0,0,0,0|0,0,0]=3 23762 B13R1.2431 CNC(=O)c1cc(ccc1Br)OC 1626a_100102657272_100000211723 [0,3,0,0,0,0|0,0,0]=3 23763 B13R1.2431 CNC(=O)c1cc(ccc1Br)OC 240690a_100102657272_100000211723 [0,3,0,0,0,0|0,0,0]=3 23764 B13R1.2431 CNC(=O)c1cc(ccc1Br)OC 527a_100102657272_100000211723 [0,3,0,0,0,0|0,0,0]=3 23765 B13R1.2431 CNC(=O)c1cc(ccc1C)C#N 11a_106832991635_200012187059 [0,3,0,0,0,0|0,0,1]=4 23766 B13R1.2431 CNC(=O)c1cc(ccc1C)C#N 1626a_100102657272_200012187059 [0,3,0,0,0,0|0,0,1]=4 23767 B13R1.2431 CNC(=O)c1cc(ccc1C)C#N 240690a_100102657272_200012187059 [0,3,0,0,0,0|0,0,1]=4 23768 B13R1.2431 CNC(=O)c1cc(ccc1C)C#N 527a_100102657272_200012187059 [0,3,0,0,0,0|0,0,1]=4 23769 B13R1.2431 CNC(=O)c1cc(ccc1C)OC 11a_106832991635_100011399813 [0,3,0,0,0,0|0,0,0]=3 23770 B13R1.2431 CNC(=O)c1cc(ccc1C)OC 1626a_100102657272_100011399813 [0,3,0,0,0,0|0,0,0]=3 23771 B13R1.2431 CNC(=O)c1cc(ccc1C)OC 240690a_100102657272_100011399813 [0,3,0,0,0,0|0,0,0]=3 23772 B13R1.2431 CNC(=O)c1cc(ccc1C)OC 527a_100102657272_100011399813 [0,3,0,0,0,0|0,0,0]=3 23773 B13R1.2431 CNC(=O)c1cc(ccc1Cl)C#N 11a_106832991635_100000729836 [0,3,0,0,0,0|0,0,1]=4 23774 B13R1.2431 CNC(=O)c1cc(ccc1Cl)C#N 1626a_100102657272_100000729836 [0,3,0,0,0,0|0,0,1]=4 23775 B13R1.2431 CNC(=O)c1cc(ccc1Cl)C#N 240690a_100102657272_100000729836 [0,3,0,0,0,0|0,0,1]=4 23776 B13R1.2431 CNC(=O)c1cc(ccc1Cl)C#N 527a_100102657272_100000729836 [0,3,0,0,0,0|0,0,1]=4 23777 B13R1.2431 CNC(=O)c1cc(ccc1Cl)NC 2230a_100000742274_200000210301 [0,3,0,0,0,0|0,0,0]=3 23778 B13R1.2431 CNC(=O)c1cc(ccc1Cl)NC 34a_100000742274_200000210301 [0,3,0,0,0,0|0,0,0]=3 23779 B13R1.2431 CNC(=O)c1cc(ccc1Cl)N[13CH3] 2230a_100000742274_200025704644 [0,3,0,0,0,0|0,0,0]=3 23780 B13R1.2431 CNC(=O)c1cc(ccc1Cl)N[13CH3] 34a_100000742274_200025704644 [0,3,0,0,0,0|0,0,0]=3 23781 B13R1.2431 CNC(=O)c1cc(ccc1Cl)OC 11a_106832991635_100000763818 [0,3,0,0,0,0|0,0,0]=3 23782 B13R1.2431 CNC(=O)c1cc(ccc1Cl)OC 1626a_100102657272_100000763818 [0,3,0,0,0,0|0,0,0]=3 23783 B13R1.2431 CNC(=O)c1cc(ccc1Cl)OC 240690a_100102657272_100000763818 [0,3,0,0,0,0|0,0,0]=3 23784 B13R1.2431 CNC(=O)c1cc(ccc1Cl)OC 527a_100102657272_100000763818 [0,3,0,0,0,0|0,0,0]=3 23785 B13R1.2431 CNC(=O)c1cc(ccc1Cl)SC 11a_106832991635_100000212015 [0,3,0,0,0,0|0,0,0]=3 23786 B13R1.2431 CNC(=O)c1cc(ccc1Cl)SC 1626a_100102657272_100000212015 [0,3,0,0,0,0|0,0,0]=3 23787 B13R1.2431 CNC(=O)c1cc(ccc1Cl)SC 240690a_100102657272_100000212015 [0,3,0,0,0,0|0,0,0]=3 23788 B13R1.2431 CNC(=O)c1cc(ccc1Cl)SC 527a_100102657272_100000212015 [0,3,0,0,0,0|0,0,0]=3 23789 B13R1.2431 CNC(=O)c1cc(ccc1F)C#N 11a_106832991635_100011218479 [0,3,0,0,0,0|0,0,1]=4 23790 B13R1.2431 CNC(=O)c1cc(ccc1F)C#N 1626a_100102657272_100011218479 [0,3,0,0,0,0|0,0,1]=4 23791 B13R1.2431 CNC(=O)c1cc(ccc1F)C#N 240690a_100102657272_100011218479 [0,3,0,0,0,0|0,0,1]=4 23792 B13R1.2431 CNC(=O)c1cc(ccc1F)NC 2230a_100000747870_200000210301 [0,3,0,0,0,0|0,0,0]=3 23793 B13R1.2431 CNC(=O)c1cc(ccc1F)NC 34a_100000747870_200000210301 [0,3,0,0,0,0|0,0,0]=3 23794 B13R1.2431 CNC(=O)c1cc(ccc1F)NC 7a_100000747870_200000210301 [0,3,0,0,0,0|0,0,0]=3 23795 B13R1.2431 CNC(=O)c1cc(ccc1F)N[13CH3] 2230a_100000747870_200025704644 [0,3,0,0,0,0|0,0,0]=3 23796 B13R1.2431 CNC(=O)c1cc(ccc1F)N[13CH3] 34a_100000747870_200025704644 [0,3,0,0,0,0|0,0,0]=3 23797 B13R1.2431 CNC(=O)c1cc(ccc1F)N[13CH3] 7a_100000747870_200025704644 [0,3,0,0,0,0|0,0,0]=3 23798 B13R1.2431 CNC(=O)c1cc(ccc1F)OC 11a_106832991635_100011217016 [0,3,0,0,0,0|0,0,0]=3 23799 B13R1.2431 CNC(=O)c1cc(ccc1F)OC 1626a_100102657272_100011217016 [0,3,0,0,0,0|0,0,0]=3 23800 B13R1.2431 CNC(=O)c1cc(ccc1F)OC 240690a_100102657272_100011217016 [0,3,0,0,0,0|0,0,0]=3 23801 B13R1.2431 CNC(=O)c1cc(ccc1F)OC 527a_100102657272_100011217016 [0,3,0,0,0,0|0,0,0]=3 23802 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 11a_106832991635_200012183283 [0,3,0,0,0,0|0,0,0]=3 23803 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 1626a_100102657272_200012183283 [0,3,0,0,0,0|0,0,0]=3 23804 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 240690a_100102657272_200012183283 [0,3,0,0,0,0|0,0,0]=3 23805 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 527a_100102657272_200012183283 [0,3,0,0,0,0|0,0,0]=3 23806 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 62a_100000155058_200000210301 [0,3,0,0,0,0|0,0,0]=3 23807 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 62a_200000210301_100000155058 [0,3,0,0,0,0|0,0,0]=3 23808 B13R1.2431 CNC(=O)c1cc(ccc1F)S[13CH3] 62a_100000155058_200025704644 [0,3,0,0,0,0|0,0,0]=3 23809 B13R1.2431 CNC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100000155058 [0,3,0,0,0,0|0,0,0]=3 23810 B13R1.2431 CNC(=O)c1cc(ccc1I)C#N 11a_106832991635_200010191847 [0,3,0,0,0,0|0,0,1]=4 23811 B13R1.2431 CNC(=O)c1cc(ccc1I)C#N 1626a_100102657272_200010191847 [0,3,0,0,0,0|0,0,1]=4 23812 B13R1.2431 CNC(=O)c1cc(ccc1I)C#N 240690a_100102657272_200010191847 [0,3,0,0,0,0|0,0,1]=4 23813 B13R1.2431 CNC(=O)c1cc(ccc1I)OC 11a_106832991635_100012339533 [0,3,0,0,0,0|0,0,0]=3 23814 B13R1.2431 CNC(=O)c1cc(ccc1I)OC 1626a_100102657272_100012339533 [0,3,0,0,0,0|0,0,0]=3 23815 B13R1.2431 CNC(=O)c1cc(ccc1I)OC 240690a_100102657272_100012339533 [0,3,0,0,0,0|0,0,0]=3 23816 B13R1.2431 CNC(=O)c1cc(ccc1I)OC 527a_100102657272_100012339533 [0,3,0,0,0,0|0,0,0]=3 23817 B13R1.2431 CNC(=O)c1cc(ccc1N)SC 62a_100000690504_200000210301 [0,3,0,0,0,0|0,0,0]=3 23818 B13R1.2431 CNC(=O)c1cc(ccc1N)S[13CH3] 62a_100000690504_200025704644 [0,3,0,0,0,0|0,0,0]=3 23819 B13R1.2431 CNC(=O)c1cc(ccc1O)C#N 240690a_100102657272_100000719980 [0,3,0,0,0,0|0,0,1]=4 23820 B13R1.2431 CNC(=O)c1cc(ccc1O)CO 240690a_100102657272_200000045694 [0,3,0,0,0,0|0,0,0]=3 23821 B13R1.2431 CNC(=O)c1cc(ccc1O)OC 240690a_100102657272_100000211986 [0,3,0,0,0,0|0,0,0]=3 23822 B13R1.2431 CNC(=O)c1cc(ccc1O)OC 527a_100102657272_100000211986 [0,3,0,0,0,0|0,0,0]=3 23823 B13R1.2431 COC(=O)c1cc(c[nH]c1=O)SC 62a_100009816710_200000210301 [0,3,0,0,0,0|1,0,0]=4 23824 B13R1.2431 COC(=O)c1cc(c[nH]c1=O)SC 62a_200000210301_100009816710 [0,3,0,0,0,0|1,0,0]=4 23825 B13R1.2431 COC(=O)c1cc(c[nH]c1=O)S[13CH3] 62a_100009816710_200025704644 [0,3,0,0,0,0|1,0,0]=4 23826 B13R1.2431 COC(=O)c1cc(c[nH]c1=O)S[13CH3] 62a_200025704644_100009816710 [0,3,0,0,0,0|1,0,0]=4 23827 B13R1.2431 COC(=O)c1cc(ccc1Br)OC 34a_100010230369_200000210301 [0,3,0,0,0,0|0,0,0]=3 23828 B13R1.2431 COC(=O)c1cc(ccc1Br)OC 7a_100010230369_200000210301 [0,3,0,0,0,0|0,0,0]=3 23829 B13R1.2431 COC(=O)c1cc(ccc1Br)O[13CH3] 34a_100010230369_200025704644 [0,3,0,0,0,0|0,0,0]=3 23830 B13R1.2431 COC(=O)c1cc(ccc1Br)O[13CH3] 7a_100010230369_200025704644 [0,3,0,0,0,0|0,0,0]=3 23831 B13R1.2431 COC(=O)c1cc(ccc1Br)SC 62a_100012340073_200000210301 [0,3,0,0,0,0|0,0,0]=3 23832 B13R1.2431 COC(=O)c1cc(ccc1Br)SC 62a_200000210301_100012340073 [0,3,0,0,0,0|0,0,0]=3 23833 B13R1.2431 COC(=O)c1cc(ccc1Br)S[13CH3] 62a_100012340073_200025704644 [0,3,0,0,0,0|0,0,0]=3 23834 B13R1.2431 COC(=O)c1cc(ccc1Br)S[13CH3] 62a_200025704644_100012340073 [0,3,0,0,0,0|0,0,0]=3 23835 B13R1.2431 COC(=O)c1cc(ccc1C)OC 34a_100012002527_200000210301 [0,3,0,0,0,0|0,0,0]=3 23836 B13R1.2431 COC(=O)c1cc(ccc1C)OC 7a_100012002527_200000210301 [0,3,0,0,0,0|0,0,0]=3 23837 B13R1.2431 COC(=O)c1cc(ccc1C)O[13CH3] 34a_100012002527_200025704644 [0,3,0,0,0,0|0,0,0]=3 23838 B13R1.2431 COC(=O)c1cc(ccc1C)O[13CH3] 7a_100012002527_200025704644 [0,3,0,0,0,0|0,0,0]=3 23839 B13R1.2431 COC(=O)c1cc(ccc1C)SC 62a_100012360116_200000210301 [0,3,0,0,0,0|0,0,0]=3 23840 B13R1.2431 COC(=O)c1cc(ccc1C)SC 62a_200000210301_100012360116 [0,3,0,0,0,0|0,0,0]=3 23841 B13R1.2431 COC(=O)c1cc(ccc1C)S[13CH3] 62a_100012360116_200025704644 [0,3,0,0,0,0|0,0,0]=3 23842 B13R1.2431 COC(=O)c1cc(ccc1C)S[13CH3] 62a_200025704644_100012360116 [0,3,0,0,0,0|0,0,0]=3 23843 B13R1.2431 COC(=O)c1cc(ccc1Cl)OC 34a_100012001761_200000210301 [0,3,0,0,0,0|0,0,0]=3 23844 B13R1.2431 COC(=O)c1cc(ccc1Cl)OC 7a_100012001761_200000210301 [0,3,0,0,0,0|0,0,0]=3 23845 B13R1.2431 COC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100012001761_200025704644 [0,3,0,0,0,0|0,0,0]=3 23846 B13R1.2431 COC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100012001761_200025704644 [0,3,0,0,0,0|0,0,0]=3 23847 B13R1.2431 COC(=O)c1cc(ccc1Cl)SC 62a_100012353682_200000210301 [0,3,0,0,0,0|0,0,0]=3 23848 B13R1.2431 COC(=O)c1cc(ccc1Cl)SC 62a_200000210301_100012353682 [0,3,0,0,0,0|0,0,0]=3 23849 B13R1.2431 COC(=O)c1cc(ccc1Cl)S[13CH3] 62a_100012353682_200025704644 [0,3,0,0,0,0|0,0,0]=3 23850 B13R1.2431 COC(=O)c1cc(ccc1Cl)S[13CH3] 62a_200025704644_100012353682 [0,3,0,0,0,0|0,0,0]=3 23851 B13R1.2431 COC(=O)c1cc(ccc1F)OC 34a_100009856154_200000210301 [0,3,0,0,0,0|0,0,0]=3 23852 B13R1.2431 COC(=O)c1cc(ccc1F)OC 7a_100009856154_200000210301 [0,3,0,0,0,0|0,0,0]=3 23853 B13R1.2431 COC(=O)c1cc(ccc1F)O[13CH3] 34a_100009856154_200025704644 [0,3,0,0,0,0|0,0,0]=3 23854 B13R1.2431 COC(=O)c1cc(ccc1F)O[13CH3] 7a_100009856154_200025704644 [0,3,0,0,0,0|0,0,0]=3 23855 B13R1.2431 COC(=O)c1cc(ccc1F)SC 62a_100000216675_200000210301 [0,3,0,0,0,0|0,0,0]=3 23856 B13R1.2431 COC(=O)c1cc(ccc1F)SC 62a_200000210301_100000216675 [0,3,0,0,0,0|0,0,0]=3 23857 B13R1.2431 COC(=O)c1cc(ccc1F)S[13CH3] 62a_100000216675_200025704644 [0,3,0,0,0,0|0,0,0]=3 23858 B13R1.2431 COC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100000216675 [0,3,0,0,0,0|0,0,0]=3 23859 B13R1.2431 COC(=O)c1cc(ccc1I)OC 34a_200009888904_200000210301 [0,3,0,0,0,0|0,0,0]=3 23860 B13R1.2431 COC(=O)c1cc(ccc1I)OC 7a_200009888904_200000210301 [0,3,0,0,0,0|0,0,0]=3 23861 B13R1.2431 COC(=O)c1cc(ccc1I)O[13CH3] 34a_200009888904_200025704644 [0,3,0,0,0,0|0,0,0]=3 23862 B13R1.2431 COC(=O)c1cc(ccc1I)O[13CH3] 7a_200009888904_200025704644 [0,3,0,0,0,0|0,0,0]=3 23863 B13R1.2431 COC(=O)c1cc(ccc1N)OC 34a_100000694981_200000210301 [0,3,0,0,0,0|0,0,0]=3 23864 B13R1.2431 COC(=O)c1cc(ccc1N)OC 7a_100000694981_200000210301 [0,3,0,0,0,0|0,0,0]=3 23865 B13R1.2431 COC(=O)c1cc(ccc1N)O[13CH3] 34a_100000694981_200025704644 [0,3,0,0,0,0|0,0,0]=3 23866 B13R1.2431 COC(=O)c1cc(ccc1N)O[13CH3] 7a_100000694981_200025704644 [0,3,0,0,0,0|0,0,0]=3 23867 B13R1.2431 COC(=O)c1cc(ccc1N)SC 62a_100000212070_200000210301 [0,3,0,0,0,0|0,0,0]=3 23868 B13R1.2431 COC(=O)c1cc(ccc1N)S[13CH3] 62a_100000212070_200025704644 [0,3,0,0,0,0|0,0,0]=3 23869 B13R1.2431 COC(=O)c1cc(ccc1O)C#N 271570a_203496583355_100009817095 [0,3,0,0,0,0|0,0,1]=4 23870 B13R1.2431 COC(=O)c1cc(ccc1O)C=O 271570a_203496583355_100013328361 [0,3,0,0,0,0|0,0,1]=4 23871 B13R1.2431 COC(=O)c1cc(ccc1O)CN 271570a_203496583355_100016988414 [0,3,0,0,0,0|0,0,0]=3 23872 B13R1.2431 COC(=O)c1cc(ccc1O)OC 271570a_203496583355_100000151459 [0,3,0,0,0,0|0,0,0]=3 23873 B13R1.2431 COC(=O)c1cc(ccc1O)SC 62a_200000210301_100000149868 [0,3,0,0,0,0|0,0,0]=3 23874 B13R1.2431 COC(=O)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000149868 [0,3,0,0,0,0|0,0,0]=3 23875 B13R1.2431 COC(=O)c1cc(cnc1C)SC 62a_100010180201_200000210301 [0,3,0,0,0,0|1,0,0]=4 23876 B13R1.2431 COC(=O)c1cc(cnc1C)SC 62a_200000210301_100010180201 [0,3,0,0,0,0|1,0,0]=4 23877 B13R1.2431 COC(=O)c1cc(cnc1C)S[13CH3] 62a_100010180201_200025704644 [0,3,0,0,0,0|1,0,0]=4 23878 B13R1.2431 COC(=O)c1cc(cnc1C)S[13CH3] 62a_200025704644_100010180201 [0,3,0,0,0,0|1,0,0]=4 23879 B13R1.2431 COC(=O)c1cc(cnc1Cl)SC 62a_200000210301_100010171060 [0,3,0,0,0,0|1,0,0]=4 23880 B13R1.2431 COC(=O)c1cc(cnc1Cl)S[13CH3] 62a_200025704644_100010171060 [0,3,0,0,0,0|1,0,0]=4 23881 B13R1.2431 COC(=O)c1cc(cnc1F)SC 62a_100010243567_200000210301 [0,3,0,0,0,0|1,0,0]=4 23882 B13R1.2431 COC(=O)c1cc(cnc1F)SC 62a_200000210301_100010243567 [0,3,0,0,0,0|1,0,0]=4 23883 B13R1.2431 COC(=O)c1cc(cnc1F)S[13CH3] 62a_100010243567_200025704644 [0,3,0,0,0,0|1,0,0]=4 23884 B13R1.2431 COC(=O)c1cc(cnc1F)S[13CH3] 62a_200025704644_100010243567 [0,3,0,0,0,0|1,0,0]=4 23885 B13R1.2431 COC(=O)c1cc(cnc1N)SC 62a_100009816750_200000210301 [0,3,0,0,0,0|1,0,0]=4 23886 B13R1.2431 COC(=O)c1cc(cnc1N)SC 62a_200000210301_100009816750 [0,3,0,0,0,0|1,0,0]=4 23887 B13R1.2431 COC(=O)c1cc(cnc1N)S[13CH3] 62a_100009816750_200025704644 [0,3,0,0,0,0|1,0,0]=4 23888 B13R1.2431 COC(=O)c1cc(cnc1N)S[13CH3] 62a_200025704644_100009816750 [0,3,0,0,0,0|1,0,0]=4 23889 B13R1.2431 COC(=O)c1cc(ncc1C)SC 62a_100009858526_200000210301 [0,3,0,0,0,0|1,0,0]=4 23890 B13R1.2431 COC(=O)c1cc(ncc1C)SC 62a_200000210301_100009858526 [0,3,0,0,0,0|1,0,0]=4 23891 B13R1.2431 COC(=O)c1cc(ncc1C)S[13CH3] 62a_100009858526_200025704644 [0,3,0,0,0,0|1,0,0]=4 23892 B13R1.2431 COC(=O)c1cc(ncc1C)S[13CH3] 62a_200025704644_100009858526 [0,3,0,0,0,0|1,0,0]=4 23893 B13R1.2431 COC(=O)c1cc(ncc1F)SC 62a_100010218257_200000210301 [0,3,0,0,0,0|1,0,0]=4 23894 B13R1.2431 COC(=O)c1cc(ncc1F)SC 62a_200000210301_100010218257 [0,3,0,0,0,0|1,0,0]=4 23895 B13R1.2431 COC(=O)c1cc(ncc1F)S[13CH3] 62a_100010218257_200025704644 [0,3,0,0,0,0|1,0,0]=4 23896 B13R1.2431 COC(=O)c1cc(ncc1F)S[13CH3] 62a_200025704644_100010218257 [0,3,0,0,0,0|1,0,0]=4 23897 B13R1.2431 COC(=O)c1cc(ncc1N)SC 62a_100012180746_200000210301 [0,3,0,0,0,0|1,0,0]=4 23898 B13R1.2431 COC(=O)c1cc(ncc1N)SC 62a_200000210301_100012180746 [0,3,0,0,0,0|1,0,0]=4 23899 B13R1.2431 COC(=O)c1cc(ncc1N)S[13CH3] 62a_100012180746_200025704644 [0,3,0,0,0,0|1,0,0]=4 23900 B13R1.2431 COC(=O)c1cc(ncc1N)S[13CH3] 62a_200025704644_100012180746 [0,3,0,0,0,0|1,0,0]=4 23901 B13R1.2431 COC(=O)c1cc(ncc1O)OC 271570a_203496583355_100010178712 [0,3,0,0,0,0|1,0,0]=4 23902 B13R1.2431 COC(=O)c1cc(ncc1O)SC 62a_100010136202_200000210301 [0,3,0,0,0,0|1,0,0]=4 23903 B13R1.2431 COC(=O)c1cc(ncc1O)SC 62a_200000210301_100010136202 [0,3,0,0,0,0|1,0,0]=4 23904 B13R1.2431 COC(=O)c1cc(ncc1O)S[13CH3] 62a_100010136202_200025704644 [0,3,0,0,0,0|1,0,0]=4 23905 B13R1.2431 COC(=O)c1cc(ncc1O)S[13CH3] 62a_200025704644_100010136202 [0,3,0,0,0,0|1,0,0]=4 23906 B13R1.2431 COC(=O)c1nc(ccc1C)SC 62a_100000117997_200000210301 [0,3,0,0,0,0|1,0,0]=4 23907 B13R1.2431 COC(=O)c1nc(ccc1C)SC 62a_200000210301_100000117997 [0,3,0,0,0,0|1,0,0]=4 23908 B13R1.2431 COC(=O)c1nc(ccc1C)S[13CH3] 62a_100000117997_200025704644 [0,3,0,0,0,0|1,0,0]=4 23909 B13R1.2431 COC(=O)c1nc(ccc1C)S[13CH3] 62a_200025704644_100000117997 [0,3,0,0,0,0|1,0,0]=4 23910 B13R1.2431 COC(=O)c1nc(ccc1F)SC 62a_100000697719_200000210301 [0,3,0,0,0,0|1,0,0]=4 23911 B13R1.2431 COC(=O)c1nc(ccc1F)SC 62a_200000210301_100000697719 [0,3,0,0,0,0|1,0,0]=4 23912 B13R1.2431 COC(=O)c1nc(ccc1F)S[13CH3] 62a_100000697719_200025704644 [0,3,0,0,0,0|1,0,0]=4 23913 B13R1.2431 COC(=O)c1nc(ccc1F)S[13CH3] 62a_200025704644_100000697719 [0,3,0,0,0,0|1,0,0]=4 23914 B13R1.2431 COC(=O)c1nc(ccc1N)SC 62a_100009860768_200000210301 [0,3,0,0,0,0|1,0,0]=4 23915 B13R1.2431 COC(=O)c1nc(ccc1N)S[13CH3] 62a_100009860768_200025704644 [0,3,0,0,0,0|1,0,0]=4 23916 B13R1.2431 COC(=O)c1nc(ccc1O)OC 271570a_203496583355_100010189643 [0,3,0,0,0,0|1,0,0]=4 23917 B13R1.2431 COC(=O)c1nc(ccc1O)SC 62a_200000210301_100000697862 [0,3,0,0,0,0|1,0,0]=4 23918 B13R1.2431 COC(=O)c1nc(ccc1O)S[13CH3] 62a_200025704644_100000697862 [0,3,0,0,0,0|1,0,0]=4 23919 B13R1.2431 COc1ccc(c(c1)C(=O)CF)Br 1458a_100000211723_100015361967 [0,3,0,0,0,0|0,0,0]=3 23920 B13R1.2431 COc1ccc(c(c1)C(=O)CF)C 1458a_100011399813_100015361967 [0,3,0,0,0,0|0,0,0]=3 23921 B13R1.2431 COc1ccc(c(c1)C(=O)CF)Cl 1458a_100000763818_100015361967 [0,3,0,0,0,0|0,0,0]=3 23922 B13R1.2431 COc1ccc(c(c1)C(=O)CF)F 1458a_100011217016_100015361967 [0,3,0,0,0,0|0,0,0]=3 23923 B13R1.2431 COc1ccc(c(c1)C(=O)CF)I 1458a_100012339533_100015361967 [0,3,0,0,0,0|0,0,0]=3 23924 B13R1.2431 COc1ccc(c(c1)C(=O)CF)O 1458a_100000211986_100015361967 [0,3,0,0,0,0|0,0,0]=3 23925 B13R1.2431 COc1ccc(c(c1)C(=O)NN)O 271570a_203496583355_100000189949 [0,3,0,0,0,0|1,0,0]=4 23926 B13R1.2431 CSc1ccc(c(c1)C(=O)CF)Cl 1458a_100000212015_100015361967 [0,3,0,0,0,0|0,0,0]=3 23927 B13R1.2431 CSc1ccc(c(c1)C(=O)CF)F 1458a_200012183283_100015361967 [0,3,0,0,0,0|0,0,0]=3 23928 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)Br 62a_200000210301_200011356971 [0,3,0,0,0,0|1,0,0]=4 23929 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)Br 62a_200011356971_200000210301 [0,3,0,0,0,0|1,0,0]=4 23930 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)Cl 62a_200000049959_200000210301 [0,3,0,0,0,0|1,0,0]=4 23931 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)Cl 62a_200000210301_200000049959 [0,3,0,0,0,0|1,0,0]=4 23932 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)O 62a_200000210301_100000193350 [0,3,0,0,0,0|1,0,0]=4 23933 B13R1.2431 Cc1ccc(cc1C(=O)CF)C#N 1458a_200012187059_100015361967 [0,3,0,0,0,0|0,0,1]=4 23934 B13R1.2431 N#Cc1ccc(c(c1)C(=O)CF)Br 1458a_100012361338_100015361967 [0,3,0,0,0,0|0,0,1]=4 23935 B13R1.2431 N#Cc1ccc(c(c1)C(=O)CF)Cl 1458a_100000729836_100015361967 [0,3,0,0,0,0|0,0,1]=4 23936 B13R1.2431 N#Cc1ccc(c(c1)C(=O)CF)F 1458a_100011218479_100015361967 [0,3,0,0,0,0|0,0,1]=4 23937 B13R1.2431 N#Cc1ccc(c(c1)C(=O)CF)I 1458a_200010191847_100015361967 [0,3,0,0,0,0|0,0,1]=4 23938 B13R1.2431 N#Cc1ccc(c(c1)C(=O)CF)O 1458a_100000719980_100015361967 [0,3,0,0,0,0|0,0,1]=4 23939 B13R1.2431 O=C(CF)c1cc(ccc1Br)CO 1458a_100010259715_100015361967 [0,3,0,0,0,0|0,0,0]=3 23940 B13R1.2431 O=C(CF)c1cc(ccc1O)CO 1458a_200000045694_100015361967 [0,3,0,0,0,0|0,0,0]=3 23941 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)Br 62a_200011356971_200025704644 [0,3,0,0,0,0|1,0,0]=4 23942 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)Br 62a_200025704644_200011356971 [0,3,0,0,0,0|1,0,0]=4 23943 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)Cl 62a_200000049959_200025704644 [0,3,0,0,0,0|1,0,0]=4 23944 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)Cl 62a_200025704644_200000049959 [0,3,0,0,0,0|1,0,0]=4 23945 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)O 62a_200025704644_100000193350 [0,3,0,0,0,0|1,0,0]=4 23946 B13R1.314 C=Cc1cc(cc(c1)C(=O)NC)F 271570a_100011290941_200011295653 [0,3,0,0,0,0|0,0,1]=4 23947 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)Br 271570a_100011290941_100012339729 [0,3,0,0,0,0|0,0,1]=4 23948 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)C 271570a_100011290941_100012359405 [0,3,0,0,0,0|0,0,0]=3 23949 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)Cl 271570a_100011290941_100000695173 [0,3,0,0,0,0|0,0,1]=4 23950 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)F 271570a_100011290941_100000698578 [0,3,0,0,0,0|0,0,1]=4 23951 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)N 271570a_100011290941_100138415615 [0,3,0,0,0,0|0,0,1]=4 23952 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)O 271570a_100011290941_100000696291 [0,3,0,0,0,0|0,0,1]=4 23953 B13R1.314 C=Cc1cc(cc(n1)C(=O)OC)C 271570a_100011290941_100009865194 [0,3,0,0,0,0|1,0,0]=4 23954 B13R1.314 C=Cc1cc(cc(n1)C)C(=O)OC 271570a_100011290941_100000695393 [0,3,0,0,0,0|1,0,0]=4 23955 B13R1.314 CCC(=O)c1cc(cc(c1)C#N)Br 1458a_100011935128_100000210202 [0,3,0,0,0,0|0,0,1]=4 23956 B13R1.314 CCC(=O)c1cc(cc(c1)C#N)C 1458a_100012001805_100000210202 [0,3,0,0,0,0|0,0,0]=3 23957 B13R1.314 CCC(=O)c1cc(cc(c1)C#N)Cl 1458a_100011997934_100000210202 [0,3,0,0,0,0|0,0,1]=4 23958 B13R1.314 CCC(=O)c1cc(cc(c1)C#N)F 1458a_100011356446_100000210202 [0,3,0,0,0,0|0,0,1]=4 23959 B13R1.314 CCC(=O)c1cc(cc(c1)CO)Cl 1458a_100009925505_100000210202 [0,3,0,0,0,0|0,0,0]=3 23960 B13R1.314 CCC(=O)c1cc(cc(c1)CO)F 1458a_100012278920_100000210202 [0,3,0,0,0,0|0,0,0]=3 23961 B13R1.314 CCC(=O)c1cc(cc(c1)OC)Br 1458a_100011934030_100000210202 [0,3,0,0,0,0|0,0,0]=3 23962 B13R1.314 CCC(=O)c1cc(cc(c1)OC)C 1458a_100000117910_100000210202 [0,3,0,0,0,0|0,0,0]=3 23963 B13R1.314 CCC(=O)c1cc(cc(c1)OC)Cl 1458a_100000066651_100000210202 [0,3,0,0,0,0|0,0,0]=3 23964 B13R1.314 CCC(=O)c1cc(cc(c1)OC)F 1458a_100011934639_100000210202 [0,3,0,0,0,0|0,0,0]=3 23965 B13R1.314 CCC(=O)c1cc(cc(c1)OC)I 1458a_200010292657_100000210202 [0,3,0,0,0,0|0,0,0]=3 23966 B13R1.314 CCC(=O)c1cc(cc(c1)OC)O 1458a_100000083963_100000210202 [0,3,0,0,0,0|0,0,0]=3 23967 B13R1.314 CNC(=O)c1cc(cc(c1)C#N)Br 11a_106832991635_100011935128 [0,3,0,0,0,0|0,0,1]=4 23968 B13R1.314 CNC(=O)c1cc(cc(c1)C#N)Br 1626a_100102657272_100011935128 [0,3,0,0,0,0|0,0,1]=4 23969 B13R1.314 CNC(=O)c1cc(cc(c1)C#N)Br 240690a_100102657272_100011935128 [0,3,0,0,0,0|0,0,1]=4 23970 B13R1.314 CNC(=O)c1cc(cc(c1)C#N)Br 527a_100102657272_100011935128 [0,3,0,0,0,0|0,0,1]=4 23971 B13R1.314 CNC(=O)c1cc(cc(c1)C#N)C 11a_106832991635_100012001805 [0,3,0,0,0,0|0,0,0]=3 23972 B13R1.314 CNC(=O)c1cc(cc(c1)C#N)C 1626a_100102657272_100012001805 [0,3,0,0,0,0|0,0,0]=3 23973 B13R1.314 CNC(=O)c1cc(cc(c1)C#N)C 240690a_100102657272_100012001805 [0,3,0,0,0,0|0,0,0]=3 23974 B13R1.314 CNC(=O)c1cc(cc(c1)C#N)C 527a_100102657272_100012001805 [0,3,0,0,0,0|0,0,0]=3 23975 B13R1.314 CNC(=O)c1cc(cc(c1)C#N)Cl 11a_106832991635_100011997934 [0,3,0,0,0,0|0,0,1]=4 23976 B13R1.314 CNC(=O)c1cc(cc(c1)C#N)Cl 1626a_100102657272_100011997934 [0,3,0,0,0,0|0,0,1]=4 23977 B13R1.314 CNC(=O)c1cc(cc(c1)C#N)Cl 240690a_100102657272_100011997934 [0,3,0,0,0,0|0,0,1]=4 23978 B13R1.314 CNC(=O)c1cc(cc(c1)C#N)Cl 527a_100102657272_100011997934 [0,3,0,0,0,0|0,0,1]=4 23979 B13R1.314 CNC(=O)c1cc(cc(c1)C#N)F 11a_106832991635_100011356446 [0,3,0,0,0,0|0,0,1]=4 23980 B13R1.314 CNC(=O)c1cc(cc(c1)C#N)F 1626a_100102657272_100011356446 [0,3,0,0,0,0|0,0,1]=4 23981 B13R1.314 CNC(=O)c1cc(cc(c1)C#N)F 240690a_100102657272_100011356446 [0,3,0,0,0,0|0,0,1]=4 23982 B13R1.314 CNC(=O)c1cc(cc(c1)C#N)F 527a_100102657272_100011356446 [0,3,0,0,0,0|0,0,1]=4 23983 B13R1.314 CNC(=O)c1cc(cc(c1)CO)Cl 240690a_100102657272_100009925505 [0,3,0,0,0,0|0,0,0]=3 23984 B13R1.314 CNC(=O)c1cc(cc(c1)CO)F 240690a_100102657272_100012278920 [0,3,0,0,0,0|0,0,0]=3 23985 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Br 11a_106832991635_100011934030 [0,3,0,0,0,0|0,0,0]=3 23986 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Br 1626a_100102657272_100011934030 [0,3,0,0,0,0|0,0,0]=3 23987 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Br 240690a_100102657272_100011934030 [0,3,0,0,0,0|0,0,0]=3 23988 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Br 527a_100102657272_100011934030 [0,3,0,0,0,0|0,0,0]=3 23989 B13R1.314 CNC(=O)c1cc(cc(c1)OC)C 11a_106832991635_100000117910 [0,3,0,0,0,0|0,0,0]=3 23990 B13R1.314 CNC(=O)c1cc(cc(c1)OC)C 1626a_100102657272_100000117910 [0,3,0,0,0,0|0,0,0]=3 23991 B13R1.314 CNC(=O)c1cc(cc(c1)OC)C 240690a_100102657272_100000117910 [0,3,0,0,0,0|0,0,0]=3 23992 B13R1.314 CNC(=O)c1cc(cc(c1)OC)C 527a_100102657272_100000117910 [0,3,0,0,0,0|0,0,0]=3 23993 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Cl 11a_106832991635_100000066651 [0,3,0,0,0,0|0,0,0]=3 23994 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Cl 1626a_100102657272_100000066651 [0,3,0,0,0,0|0,0,0]=3 23995 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Cl 240690a_100102657272_100000066651 [0,3,0,0,0,0|0,0,0]=3 23996 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Cl 527a_100102657272_100000066651 [0,3,0,0,0,0|0,0,0]=3 23997 B13R1.314 CNC(=O)c1cc(cc(c1)OC)F 11a_106832991635_100011934639 [0,3,0,0,0,0|0,0,0]=3 23998 B13R1.314 CNC(=O)c1cc(cc(c1)OC)F 1626a_100102657272_100011934639 [0,3,0,0,0,0|0,0,0]=3 23999 B13R1.314 CNC(=O)c1cc(cc(c1)OC)F 240690a_100102657272_100011934639 [0,3,0,0,0,0|0,0,0]=3 24000 B13R1.314 CNC(=O)c1cc(cc(c1)OC)F 527a_100102657272_100011934639 [0,3,0,0,0,0|0,0,0]=3 24001 B13R1.314 CNC(=O)c1cc(cc(c1)OC)I 11a_106832991635_200010292657 [0,3,0,0,0,0|0,0,0]=3 24002 B13R1.314 CNC(=O)c1cc(cc(c1)OC)I 1626a_100102657272_200010292657 [0,3,0,0,0,0|0,0,0]=3 24003 B13R1.314 CNC(=O)c1cc(cc(c1)OC)I 240690a_100102657272_200010292657 [0,3,0,0,0,0|0,0,0]=3 24004 B13R1.314 CNC(=O)c1cc(cc(c1)OC)I 527a_100102657272_200010292657 [0,3,0,0,0,0|0,0,0]=3 24005 B13R1.314 CNC(=O)c1cc(cc(c1)OC)O 240690a_100102657272_100000083963 [0,3,0,0,0,0|0,0,0]=3 24006 B13R1.314 CNC(=O)c1cc(cc(c1)OC)O 527a_100102657272_100000083963 [0,3,0,0,0,0|0,0,0]=3 24007 B13R1.314 CNC(=O)c1cc(cc(c1)SC)F 62a_200000210301_200011295653 [0,3,0,0,0,0|0,0,0]=3 24008 B13R1.314 CNC(=O)c1cc(cc(c1)SC)F 62a_200011295653_200000210301 [0,3,0,0,0,0|0,0,0]=3 24009 B13R1.314 CNC(=O)c1cc(cc(c1)S[13CH3])F 62a_200011295653_200025704644 [0,3,0,0,0,0|0,0,0]=3 24010 B13R1.314 CNC(=O)c1cc(cc(c1)S[13CH3])F 62a_200025704644_200011295653 [0,3,0,0,0,0|0,0,0]=3 24011 B13R1.314 COC(=O)c1cc(cc(c1)C#N)O 271570a_203496583355_200010072370 [0,3,0,0,0,0|0,0,1]=4 24012 B13R1.314 COC(=O)c1cc(cc(c1)C=O)O 271570a_203496583355_100010371122 [0,3,0,0,0,0|0,0,1]=4 24013 B13R1.314 COC(=O)c1cc(cc(c1)CN)O 271570a_203496583355_100134615983 [0,3,0,0,0,0|0,0,0]=3 24014 B13R1.314 COC(=O)c1cc(cc(c1)CO)O 271570a_203496583355_100010232996 [0,3,0,0,0,0|0,0,0]=3 24015 B13R1.314 COC(=O)c1cc(cc(c1)OC)Br 34a_100000696291_200000210301 [0,3,0,0,0,0|0,0,0]=3 24016 B13R1.314 COC(=O)c1cc(cc(c1)OC)Br 7a_100000696291_200000210301 [0,3,0,0,0,0|0,0,0]=3 24017 B13R1.314 COC(=O)c1cc(cc(c1)OC)Cl 34a_100009870047_200000210301 [0,3,0,0,0,0|0,0,0]=3 24018 B13R1.314 COC(=O)c1cc(cc(c1)OC)Cl 7a_100009870047_200000210301 [0,3,0,0,0,0|0,0,0]=3 24019 B13R1.314 COC(=O)c1cc(cc(c1)OC)F 34a_100000118610_200000210301 [0,3,0,0,0,0|0,0,0]=3 24020 B13R1.314 COC(=O)c1cc(cc(c1)OC)F 7a_100000118610_200000210301 [0,3,0,0,0,0|0,0,0]=3 24021 B13R1.314 COC(=O)c1cc(cc(c1)OC)N 34a_100000069914_200000210301 [0,3,0,0,0,0|0,0,0]=3 24022 B13R1.314 COC(=O)c1cc(cc(c1)OC)N 7a_100000069914_200000210301 [0,3,0,0,0,0|0,0,0]=3 24023 B13R1.314 COC(=O)c1cc(cc(c1)OC)O 271570a_203496583355_200010233337 [0,3,0,0,0,0|0,0,0]=3 24024 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])Br 34a_100000696291_200025704644 [0,3,0,0,0,0|0,0,0]=3 24025 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])Br 7a_100000696291_200025704644 [0,3,0,0,0,0|0,0,0]=3 24026 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])Cl 34a_100009870047_200025704644 [0,3,0,0,0,0|0,0,0]=3 24027 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])Cl 7a_100009870047_200025704644 [0,3,0,0,0,0|0,0,0]=3 24028 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])F 34a_100000118610_200025704644 [0,3,0,0,0,0|0,0,0]=3 24029 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])F 7a_100000118610_200025704644 [0,3,0,0,0,0|0,0,0]=3 24030 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])N 34a_100000069914_200025704644 [0,3,0,0,0,0|0,0,0]=3 24031 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])N 7a_100000069914_200025704644 [0,3,0,0,0,0|0,0,0]=3 24032 B13R1.314 COC(=O)c1cc(cc(c1)SC)Br 62a_100012339729_200000210301 [0,3,0,0,0,0|0,0,0]=3 24033 B13R1.314 COC(=O)c1cc(cc(c1)SC)Br 62a_200000210301_100012339729 [0,3,0,0,0,0|0,0,0]=3 24034 B13R1.314 COC(=O)c1cc(cc(c1)SC)C 62a_100012359405_200000210301 [0,3,0,0,0,0|0,0,0]=3 24035 B13R1.314 COC(=O)c1cc(cc(c1)SC)C 62a_200000210301_100012359405 [0,3,0,0,0,0|0,0,0]=3 24036 B13R1.314 COC(=O)c1cc(cc(c1)SC)Cl 62a_100000695173_200000210301 [0,3,0,0,0,0|0,0,0]=3 24037 B13R1.314 COC(=O)c1cc(cc(c1)SC)Cl 62a_200000210301_100000695173 [0,3,0,0,0,0|0,0,0]=3 24038 B13R1.314 COC(=O)c1cc(cc(c1)SC)F 62a_100000698578_200000210301 [0,3,0,0,0,0|0,0,0]=3 24039 B13R1.314 COC(=O)c1cc(cc(c1)SC)F 62a_200000210301_100000698578 [0,3,0,0,0,0|0,0,0]=3 24040 B13R1.314 COC(=O)c1cc(cc(c1)SC)N 62a_100138415615_200000210301 [0,3,0,0,0,0|0,0,0]=3 24041 B13R1.314 COC(=O)c1cc(cc(c1)SC)N 62a_200000210301_100138415615 [0,3,0,0,0,0|0,0,0]=3 24042 B13R1.314 COC(=O)c1cc(cc(c1)SC)O 62a_100000696291_200000210301 [0,3,0,0,0,0|0,0,0]=3 24043 B13R1.314 COC(=O)c1cc(cc(c1)SC)O 62a_200000210301_100000696291 [0,3,0,0,0,0|0,0,0]=3 24044 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])Br 62a_100012339729_200025704644 [0,3,0,0,0,0|0,0,0]=3 24045 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])Br 62a_200025704644_100012339729 [0,3,0,0,0,0|0,0,0]=3 24046 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])C 62a_100012359405_200025704644 [0,3,0,0,0,0|0,0,0]=3 24047 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])C 62a_200025704644_100012359405 [0,3,0,0,0,0|0,0,0]=3 24048 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])Cl 62a_100000695173_200025704644 [0,3,0,0,0,0|0,0,0]=3 24049 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])Cl 62a_200025704644_100000695173 [0,3,0,0,0,0|0,0,0]=3 24050 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])F 62a_100000698578_200025704644 [0,3,0,0,0,0|0,0,0]=3 24051 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])F 62a_200025704644_100000698578 [0,3,0,0,0,0|0,0,0]=3 24052 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])N 62a_100138415615_200025704644 [0,3,0,0,0,0|0,0,0]=3 24053 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])N 62a_200025704644_100138415615 [0,3,0,0,0,0|0,0,0]=3 24054 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])O 62a_100000696291_200025704644 [0,3,0,0,0,0|0,0,0]=3 24055 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])O 62a_200025704644_100000696291 [0,3,0,0,0,0|0,0,0]=3 24056 B13R1.314 COC(=O)c1cc(cc(n1)CO)O 271570a_203496583355_100010204487 [0,3,0,0,0,0|1,0,0]=4 24057 B13R1.314 COC(=O)c1cc(cc(n1)O)OC 271570a_203496583355_100010161163 [0,3,0,0,0,0|1,0,0]=4 24058 B13R1.314 COC(=O)c1cc(cc(n1)OC)O 271570a_203496583355_100010136341 [0,3,0,0,0,0|1,0,0]=4 24059 B13R1.314 COC(=O)c1cc(cc(n1)SC)C 62a_100009865194_200000210301 [0,3,0,0,0,0|1,0,0]=4 24060 B13R1.314 COC(=O)c1cc(cc(n1)SC)C 62a_200000210301_100009865194 [0,3,0,0,0,0|1,0,0]=4 24061 B13R1.314 COC(=O)c1cc(cc(n1)S[13CH3])C 62a_100009865194_200025704644 [0,3,0,0,0,0|1,0,0]=4 24062 B13R1.314 COC(=O)c1cc(cc(n1)S[13CH3])C 62a_200025704644_100009865194 [0,3,0,0,0,0|1,0,0]=4 24063 B13R1.314 COC(=O)c1cc(nc(c1)OC)O 271570a_203496583355_100009994165 [0,3,0,0,0,0|1,0,0]=4 24064 B13R1.314 COC(=O)c1cc(nc(c1)SC)C 62a_100000695393_200000210301 [0,3,0,0,0,0|1,0,0]=4 24065 B13R1.314 COC(=O)c1cc(nc(c1)SC)C 62a_200000210301_100000695393 [0,3,0,0,0,0|1,0,0]=4 24066 B13R1.314 COC(=O)c1cc(nc(c1)SC)N 62a_100000062536_200000210301 [0,3,0,0,0,0|1,0,0]=4 24067 B13R1.314 COC(=O)c1cc(nc(c1)SC)N 62a_200000210301_100000062536 [0,3,0,0,0,0|1,0,0]=4 24068 B13R1.314 COC(=O)c1cc(nc(c1)S[13CH3])C 62a_100000695393_200025704644 [0,3,0,0,0,0|1,0,0]=4 24069 B13R1.314 COC(=O)c1cc(nc(c1)S[13CH3])C 62a_200025704644_100000695393 [0,3,0,0,0,0|1,0,0]=4 24070 B13R1.314 COC(=O)c1cc(nc(c1)S[13CH3])N 62a_100000062536_200025704644 [0,3,0,0,0,0|1,0,0]=4 24071 B13R1.314 COC(=O)c1cc(nc(c1)S[13CH3])N 62a_200025704644_100000062536 [0,3,0,0,0,0|1,0,0]=4 24072 B13R1.314 COc1cc(cc(c1)C(=O)CF)Br 1458a_100011934030_100015361967 [0,3,0,0,0,0|0,0,0]=3 24073 B13R1.314 COc1cc(cc(c1)C(=O)CF)C 1458a_100000117910_100015361967 [0,3,0,0,0,0|0,0,0]=3 24074 B13R1.314 COc1cc(cc(c1)C(=O)CF)Cl 1458a_100000066651_100015361967 [0,3,0,0,0,0|0,0,0]=3 24075 B13R1.314 COc1cc(cc(c1)C(=O)CF)F 1458a_100011934639_100015361967 [0,3,0,0,0,0|0,0,0]=3 24076 B13R1.314 COc1cc(cc(c1)C(=O)CF)I 1458a_200010292657_100015361967 [0,3,0,0,0,0|0,0,0]=3 24077 B13R1.314 COc1cc(cc(c1)C(=O)CF)O 1458a_100000083963_100015361967 [0,3,0,0,0,0|0,0,0]=3 24078 B13R1.314 CSc1cc(cc(c1)C(=O)NN)F 62a_100011279999_200000210301 [0,3,0,0,0,0|1,0,0]=4 24079 B13R1.314 CSc1cc(cc(c1)C(=O)NN)F 62a_200000210301_100011279999 [0,3,0,0,0,0|1,0,0]=4 24080 B13R1.314 Cc1cc(cc(c1)C(=O)CF)C#N 1458a_100012001805_100015361967 [0,3,0,0,0,0|0,0,0]=3 24081 B13R1.314 N#Cc1cc(cc(c1)C(=O)CF)Br 1458a_100011935128_100015361967 [0,3,0,0,0,0|0,0,1]=4 24082 B13R1.314 N#Cc1cc(cc(c1)C(=O)CF)Cl 1458a_100011997934_100015361967 [0,3,0,0,0,0|0,0,1]=4 24083 B13R1.314 N#Cc1cc(cc(c1)C(=O)CF)F 1458a_100011356446_100015361967 [0,3,0,0,0,0|0,0,1]=4 24084 B13R1.314 O=C(CF)c1cc(cc(c1)CO)Cl 1458a_100009925505_100015361967 [0,3,0,0,0,0|0,0,0]=3 24085 B13R1.314 O=C(CF)c1cc(cc(c1)CO)F 1458a_100012278920_100015361967 [0,3,0,0,0,0|0,0,0]=3 24086 B13R1.314 [13CH3]Sc1cc(cc(c1)C(=O)NN)F 62a_100011279999_200025704644 [0,3,0,0,0,0|1,0,0]=4 24087 B13R1.314 [13CH3]Sc1cc(cc(c1)C(=O)NN)F 62a_200025704644_100011279999 [0,3,0,0,0,0|1,0,0]=4 24088 B13R1.374 C=C=Cc1cccc(c1)C(=O)CC 271570a_100015277604_100000211677 [0,3,0,0,0,0|0,0,1]=4 24089 B13R1.374 C=C=Cc1cccc(c1)C(=O)CN 271570a_100015277604_100020587001 [0,3,0,0,0,0|0,0,1]=4 24090 B13R1.374 C=C=Cc1cccc(c1)C(=O)NC 271570a_100015277604_100000155082 [0,3,0,0,0,0|0,0,1]=4 24091 B13R1.374 C=C=Cc1cccc(c1)C(=O)OC 271570a_100015277604_100000148679 [0,3,0,0,0,0|0,0,1]=4 24092 B13R1.374 CC(=NN)c1cccc(c1)OCF 34a_100000689795_100015361967 [0,3,0,0,0,0|1,0,0]=4 24093 B13R1.374 CC=Cc1cc(ccn1)C(=O)NC 271570a_100016259895_100011196506 [0,3,0,0,0,0|1,0,0]=4 24094 B13R1.374 CC=Cc1cc(ccn1)C(=O)OC 271570a_100016259895_100011934382 [0,3,0,0,0,0|1,0,0]=4 24095 B13R1.374 CC=Cc1cccc(c1)C(=O)C#N 271570a_100016259895_100010169886 [0,3,0,0,0,0|0,0,1]=4 24096 B13R1.374 CC=Cc1cccc(c1)C(=O)C=O 271570a_100016259895_100000726164 [0,3,0,0,0,0|0,0,1]=4 24097 B13R1.374 CC=Cc1cccc(c1)C(=O)CC 271570a_100016259895_100000211677 [0,3,0,0,0,0|0,0,0]=3 24098 B13R1.374 CC=Cc1cccc(c1)C(=O)CN 271570a_100016259895_100020587001 [0,3,0,0,0,0|0,0,0]=3 24099 B13R1.374 CC=Cc1cccc(c1)C(=O)NC 271570a_100016259895_100000155082 [0,3,0,0,0,0|0,0,0]=3 24100 B13R1.374 CC=Cc1cccc(c1)C(=O)NN 271570a_100016259895_100000189783 [0,3,0,0,0,0|1,0,0]=4 24101 B13R1.374 CC=Cc1cccc(c1)C(=O)OC 271570a_100016259895_100000148679 [0,3,0,0,0,0|0,0,0]=3 24102 B13R1.374 CC=Cc1cccc(n1)C(=O)CC 271570a_100016259895_100011004013 [0,3,0,0,0,0|1,0,0]=4 24103 B13R1.374 CC=Cc1cccc(n1)C(=O)NC 271570a_100016259895_100000755456 [0,3,0,0,0,0|1,0,0]=4 24104 B13R1.374 CC=Cc1cccc(n1)C(=O)OC 271570a_100016259895_100000708286 [0,3,0,0,0,0|1,0,0]=4 24105 B13R1.374 CC=Cc1ccnc(c1)C(=O)CC 271570a_100016259895_200000094848 [0,3,0,0,0,0|1,0,0]=4 24106 B13R1.374 CC=Cc1ccnc(c1)C(=O)NC 271570a_100016259895_100000204654 [0,3,0,0,0,0|1,0,0]=4 24107 B13R1.374 CC=Cc1ccnc(c1)C(=O)OC 271570a_100016259895_100000693414 [0,3,0,0,0,0|1,0,0]=4 24108 B13R1.374 CC=Cc1cncc(c1)C(=O)NC 271570a_100016259895_200000155086 [0,3,0,0,0,0|1,0,0]=4 24109 B13R1.374 CC=Cc1cncc(c1)C(=O)OC 271570a_100016259895_100000148912 [0,3,0,0,0,0|1,0,0]=4 24110 B13R1.374 CCC(=O)c1cc(ccn1)SCF 62a_100015361967_200000094848 [0,3,0,0,0,0|1,0,0]=4 24111 B13R1.374 CCC(=O)c1cc(ccn1)SCF 62a_200000094848_100015361967 [0,3,0,0,0,0|1,0,0]=4 24112 B13R1.374 CCC(=O)c1cccc(c1)CC#N 1458a_100000027370_100000210202 [0,3,0,0,0,0|0,0,0]=3 24113 B13R1.374 CCC(=O)c1cccc(c1)CCO 1458a_100009869812_100000210202 [0,3,0,0,0,0|0,0,0]=3 24114 B13R1.374 CCC(=O)c1cccc(c1)CNC 26a_100102657272_100011996911 [0,3,0,0,0,0|0,0,0]=3 24115 B13R1.374 CCC(=O)c1cccc(c1)COC 1458a_100000199024_100000210202 [0,3,0,0,0,0|0,0,0]=3 24116 B13R1.374 CCC(=O)c1cccc(c1)OCF 34a_100011996911_100015361967 [0,3,0,0,0,0|0,0,0]=3 24117 B13R1.374 CCC(=O)c1cccc(c1)OCF 7a_100011996911_100015361967 [0,3,0,0,0,0|0,0,0]=3 24118 B13R1.374 CCC(=O)c1cccc(c1)SCF 62a_100000211677_100015361967 [0,3,0,0,0,0|0,0,0]=3 24119 B13R1.374 CCC(=O)c1cccc(c1)SCF 62a_100015361967_100000211677 [0,3,0,0,0,0|0,0,0]=3 24120 B13R1.374 CCC(=O)c1cccc(n1)SCF 62a_100011004013_100015361967 [0,3,0,0,0,0|1,0,0]=4 24121 B13R1.374 CCC(=O)c1cccc(n1)SCF 62a_100015361967_100011004013 [0,3,0,0,0,0|1,0,0]=4 24122 B13R1.374 CCNc1cccc(c1)C(=O)NC 34a_100000185133_100000210202 [0,3,0,0,0,0|0,0,0]=3 24123 B13R1.374 CCNc1cccc(n1)C(=O)NC 27a_100015525214_100000755456 [0,3,0,0,0,0|1,0,0]=4 24124 B13R1.374 CCNc1cccc(n1)C(=O)OC 27a_100015525214_100000708286 [0,3,0,0,0,0|1,0,0]=4 24125 B13R1.374 CCNc1ccnc(c1)C(=O)NC 27a_100015525214_100000204654 [0,3,0,0,0,0|1,0,0]=4 24126 B13R1.374 CCNc1cncc(c1)C(=O)NC 27a_100015525214_200000155086 [0,3,0,0,0,0|1,0,0]=4 24127 B13R1.374 CCOc1cc(ccn1)C(=O)OC 34a_100138552365_100000210202 [0,3,0,0,0,0|1,0,0]=4 24128 B13R1.374 CCOc1cccc(c1)C(=NN)C 34a_100000689795_100000210202 [0,3,0,0,0,0|1,0,0]=4 24129 B13R1.374 CCOc1cccc(c1)C(=O)CBr 7a_100009813753_100000210202 [0,3,0,0,0,0|0,0,0]=3 24130 B13R1.374 CCOc1cccc(c1)C(=O)CC 1458a_100000216331_100000210202 [0,3,0,0,0,0|0,0,0]=3 24131 B13R1.374 CCOc1cccc(c1)C(=O)CC 34a_100011996911_100000210202 [0,3,0,0,0,0|0,0,0]=3 24132 B13R1.374 CCOc1cccc(c1)C(=O)CC 7a_100011996911_100000210202 [0,3,0,0,0,0|0,0,0]=3 24133 B13R1.374 CCOc1cccc(c1)C(=O)CF 1458a_100000216331_100015361967 [0,3,0,0,0,0|0,0,0]=3 24134 B13R1.374 CCOc1cccc(c1)C(=O)NC 11a_106832991635_100000216331 [0,3,0,0,0,0|0,0,0]=3 24135 B13R1.374 CCOc1cccc(c1)C(=O)NC 1626a_100102657272_100000216331 [0,3,0,0,0,0|0,0,0]=3 24136 B13R1.374 CCOc1cccc(c1)C(=O)NC 240690a_100102657272_100000216331 [0,3,0,0,0,0|0,0,0]=3 24137 B13R1.374 CCOc1cccc(c1)C(=O)NC 34a_100000159807_100000210202 [0,3,0,0,0,0|0,0,0]=3 24138 B13R1.374 CCOc1cccc(c1)C(=O)NC 527a_100102657272_100000216331 [0,3,0,0,0,0|0,0,0]=3 24139 B13R1.374 CCOc1cccc(c1)C(=O)NC 7a_100000159807_100000210202 [0,3,0,0,0,0|0,0,0]=3 24140 B13R1.374 CCOc1cccc(c1)C(=O)NN 34a_100000184184_100000210202 [0,3,0,0,0,0|1,0,0]=4 24141 B13R1.374 CCOc1cccc(c1)C(=O)OC 34a_100000150331_100000210202 [0,3,0,0,0,0|0,0,0]=3 24142 B13R1.374 CCOc1cccc(c1)C(=O)OC 7a_100000150331_100000210202 [0,3,0,0,0,0|0,0,0]=3 24143 B13R1.374 CCOc1ccnc(c1)C(=O)OC 34a_200020638413_100000210202 [0,3,0,0,0,0|1,0,0]=4 24144 B13R1.374 CCOc1cncc(c1)C(=O)OC 34a_100000687108_100000210202 [0,3,0,0,0,0|1,0,0]=4 24145 B13R1.374 CCOc1cncc(c1)C(=O)OC 7a_100000687108_100000210202 [0,3,0,0,0,0|1,0,0]=4 24146 B13R1.374 CCSc1cc(ccn1)C(=O)NC 62a_100000210202_100011196506 [0,3,0,0,0,0|1,0,0]=4 24147 B13R1.374 CCSc1cc(ccn1)C(=O)NC 62a_100011196506_100000210202 [0,3,0,0,0,0|1,0,0]=4 24148 B13R1.374 CCSc1cc(ccn1)C(=O)OC 62a_100000210202_100011934382 [0,3,0,0,0,0|1,0,0]=4 24149 B13R1.374 CCSc1cc(ccn1)C(=O)OC 62a_100011934382_100000210202 [0,3,0,0,0,0|1,0,0]=4 24150 B13R1.374 CCSc1cccc(c1)C(=O)C#N 62a_100000210202_100010169886 [0,3,0,0,0,0|0,0,1]=4 24151 B13R1.374 CCSc1cccc(c1)C(=O)C=O 62a_100000210202_100000726164 [0,3,0,0,0,0|0,0,1]=4 24152 B13R1.374 CCSc1cccc(c1)C(=O)C=O 62a_100000726164_100000210202 [0,3,0,0,0,0|0,0,1]=4 24153 B13R1.374 CCSc1cccc(c1)C(=O)CC 62a_100000210202_100000211677 [0,3,0,0,0,0|0,0,0]=3 24154 B13R1.374 CCSc1cccc(c1)C(=O)CC 62a_100000211677_100000210202 [0,3,0,0,0,0|0,0,0]=3 24155 B13R1.374 CCSc1cccc(c1)C(=O)CN 62a_100000210202_100020587001 [0,3,0,0,0,0|0,0,0]=3 24156 B13R1.374 CCSc1cccc(c1)C(=O)CN 62a_100020587001_100000210202 [0,3,0,0,0,0|0,0,0]=3 24157 B13R1.374 CCSc1cccc(c1)C(=O)NC 62a_100000155082_100000210202 [0,3,0,0,0,0|0,0,0]=3 24158 B13R1.374 CCSc1cccc(c1)C(=O)NC 62a_100000210202_100000155082 [0,3,0,0,0,0|0,0,0]=3 24159 B13R1.374 CCSc1cccc(c1)C(=O)NN 62a_100000189783_100000210202 [0,3,0,0,0,0|1,0,0]=4 24160 B13R1.374 CCSc1cccc(c1)C(=O)NN 62a_100000210202_100000189783 [0,3,0,0,0,0|1,0,0]=4 24161 B13R1.374 CCSc1cccc(c1)C(=O)OC 62a_100000148848_100000210202 [0,3,0,0,0,0|0,0,0]=3 24162 B13R1.374 CCSc1cccc(c1)C(=O)OC 62a_100000210202_100000148848 [0,3,0,0,0,0|0,0,0]=3 24163 B13R1.374 CCSc1cccc(n1)C(=O)CC 62a_100000210202_100011004013 [0,3,0,0,0,0|1,0,0]=4 24164 B13R1.374 CCSc1cccc(n1)C(=O)CC 62a_100011004013_100000210202 [0,3,0,0,0,0|1,0,0]=4 24165 B13R1.374 CCSc1cccc(n1)C(=O)NC 62a_100000210202_100000755456 [0,3,0,0,0,0|1,0,0]=4 24166 B13R1.374 CCSc1cccc(n1)C(=O)NC 62a_100000755456_100000210202 [0,3,0,0,0,0|1,0,0]=4 24167 B13R1.374 CCSc1cccc(n1)C(=O)OC 62a_100000210202_100000708286 [0,3,0,0,0,0|1,0,0]=4 24168 B13R1.374 CCSc1cccc(n1)C(=O)OC 62a_100000708286_100000210202 [0,3,0,0,0,0|1,0,0]=4 24169 B13R1.374 CCSc1ccnc(c1)C(=O)CC 62a_100000210202_200000094848 [0,3,0,0,0,0|1,0,0]=4 24170 B13R1.374 CCSc1ccnc(c1)C(=O)CC 62a_200000094848_100000210202 [0,3,0,0,0,0|1,0,0]=4 24171 B13R1.374 CCSc1ccnc(c1)C(=O)NC 62a_100000204654_100000210202 [0,3,0,0,0,0|1,0,0]=4 24172 B13R1.374 CCSc1ccnc(c1)C(=O)NC 62a_100000210202_100000204654 [0,3,0,0,0,0|1,0,0]=4 24173 B13R1.374 CCSc1ccnc(c1)C(=O)OC 62a_100000210202_100000693414 [0,3,0,0,0,0|1,0,0]=4 24174 B13R1.374 CCSc1ccnc(c1)C(=O)OC 62a_100000693414_100000210202 [0,3,0,0,0,0|1,0,0]=4 24175 B13R1.374 CCSc1cncc(c1)C(=O)NC 62a_100000210202_200000155086 [0,3,0,0,0,0|1,0,0]=4 24176 B13R1.374 CCSc1cncc(c1)C(=O)NC 62a_200000155086_100000210202 [0,3,0,0,0,0|1,0,0]=4 24177 B13R1.374 CCSc1cncc(c1)C(=O)OC 62a_100000148912_100000210202 [0,3,0,0,0,0|1,0,0]=4 24178 B13R1.374 CCSc1cncc(c1)C(=O)OC 62a_100000210202_100000148912 [0,3,0,0,0,0|1,0,0]=4 24179 B13R1.374 CNC(=O)c1cc(ccn1)SCF 62a_100000204654_100015361967 [0,3,0,0,0,0|1,0,0]=4 24180 B13R1.374 CNC(=O)c1cc(ccn1)SCF 62a_100015361967_100000204654 [0,3,0,0,0,0|1,0,0]=4 24181 B13R1.374 CNC(=O)c1cccc(c1)CC#N 11a_106832991635_100000027370 [0,3,0,0,0,0|0,0,0]=3 24182 B13R1.374 CNC(=O)c1cccc(c1)CC#N 1626a_100102657272_100000027370 [0,3,0,0,0,0|0,0,0]=3 24183 B13R1.374 CNC(=O)c1cccc(c1)CC#N 527a_100102657272_100000027370 [0,3,0,0,0,0|0,0,0]=3 24184 B13R1.374 CNC(=O)c1cccc(c1)CCO 1626a_100102657272_100009869812 [0,3,0,0,0,0|0,0,0]=3 24185 B13R1.374 CNC(=O)c1cccc(c1)CCO 240690a_100102657272_100009869812 [0,3,0,0,0,0|0,0,0]=3 24186 B13R1.374 CNC(=O)c1cccc(c1)COC 11a_106832991635_100000199024 [0,3,0,0,0,0|0,0,0]=3 24187 B13R1.374 CNC(=O)c1cccc(c1)COC 1626a_100102657272_100000199024 [0,3,0,0,0,0|0,0,0]=3 24188 B13R1.374 CNC(=O)c1cccc(c1)COC 240690a_100102657272_100000199024 [0,3,0,0,0,0|0,0,0]=3 24189 B13R1.374 CNC(=O)c1cccc(c1)COC 34a_100138415774_100000755619 [0,3,0,0,0,0|0,0,0]=3 24190 B13R1.374 CNC(=O)c1cccc(c1)COC 527a_100102657272_100000199024 [0,3,0,0,0,0|0,0,0]=3 24191 B13R1.374 CNC(=O)c1cccc(c1)CSC 62a_100000755619_200000210301 [0,3,0,0,0,0|0,0,0]=3 24192 B13R1.374 CNC(=O)c1cccc(c1)CSC 62a_200000210301_100000755619 [0,3,0,0,0,0|0,0,0]=3 24193 B13R1.374 CNC(=O)c1cccc(c1)CS[13CH3] 62a_100000755619_200025704644 [0,3,0,0,0,0|0,0,0]=3 24194 B13R1.374 CNC(=O)c1cccc(c1)CS[13CH3] 62a_200025704644_100000755619 [0,3,0,0,0,0|0,0,0]=3 24195 B13R1.374 CNC(=O)c1cccc(c1)NCF 34a_100000185133_100015361967 [0,3,0,0,0,0|0,0,0]=3 24196 B13R1.374 CNC(=O)c1cccc(c1)OCF 34a_100000159807_100015361967 [0,3,0,0,0,0|0,0,0]=3 24197 B13R1.374 CNC(=O)c1cccc(c1)OCF 7a_100000159807_100015361967 [0,3,0,0,0,0|0,0,0]=3 24198 B13R1.374 CNC(=O)c1cccc(c1)SCF 62a_100000155082_100015361967 [0,3,0,0,0,0|0,0,0]=3 24199 B13R1.374 CNC(=O)c1cccc(c1)SCF 62a_100015361967_100000155082 [0,3,0,0,0,0|0,0,0]=3 24200 B13R1.374 CNC(=O)c1cccc(n1)SCF 62a_100000755456_100015361967 [0,3,0,0,0,0|1,0,0]=4 24201 B13R1.374 CNC(=O)c1cccc(n1)SCF 62a_100015361967_100000755456 [0,3,0,0,0,0|1,0,0]=4 24202 B13R1.374 CNC(=O)c1ccnc(c1)SCF 62a_100011196506_100015361967 [0,3,0,0,0,0|1,0,0]=4 24203 B13R1.374 CNC(=O)c1ccnc(c1)SCF 62a_100015361967_100011196506 [0,3,0,0,0,0|1,0,0]=4 24204 B13R1.374 CNC(=O)c1cncc(c1)SCF 62a_100015361967_200000155086 [0,3,0,0,0,0|1,0,0]=4 24205 B13R1.374 CNC(=O)c1cncc(c1)SCF 62a_200000155086_100015361967 [0,3,0,0,0,0|1,0,0]=4 24206 B13R1.374 CNCc1cc(ccn1)C(=O)OC 2230a_106832991635_100020667620 [0,3,0,0,0,0|1,0,0]=4 24207 B13R1.374 CNCc1cc(ccn1)C(=O)OC 270004a_106832991635_100009884558 [0,3,0,0,0,0|1,0,0]=4 24208 B13R1.374 CNCc1cc(ccn1)C(=O)OC 7a_106832991635_100020667620 [0,3,0,0,0,0|1,0,0]=4 24209 B13R1.374 CNCc1cccc(c1)C(=O)CBr 26a_100102657272_100009813753 [0,3,0,0,0,0|0,0,0]=3 24210 B13R1.374 CNCc1cccc(c1)C(=O)NC 2230a_106832991635_100000755619 [0,3,0,0,0,0|0,0,0]=3 24211 B13R1.374 CNCc1cccc(c1)C(=O)NC 34a_100102657272_100000755619 [0,3,0,0,0,0|0,0,0]=3 24212 B13R1.374 CNCc1cccc(c1)C(=O)NC 7a_106832991635_100000755619 [0,3,0,0,0,0|0,0,0]=3 24213 B13R1.374 CNCc1cccc(c1)C(=O)OC 2230a_106832991635_100000184886 [0,3,0,0,0,0|0,0,0]=3 24214 B13R1.374 CNCc1cccc(c1)C(=O)OC 26a_100102657272_100000150331 [0,3,0,0,0,0|0,0,0]=3 24215 B13R1.374 CNCc1cccc(c1)C(=O)OC 270004a_106832991635_100000687630 [0,3,0,0,0,0|0,0,0]=3 24216 B13R1.374 CNCc1cccc(c1)C(=O)OC 34a_100102657272_100000184886 [0,3,0,0,0,0|0,0,0]=3 24217 B13R1.374 CNCc1cccc(c1)C(=O)OC 7a_106832991635_100000184886 [0,3,0,0,0,0|0,0,0]=3 24218 B13R1.374 CNCc1cccc(n1)C(=O)OC 2230a_106832991635_100000097194 [0,3,0,0,0,0|1,0,0]=4 24219 B13R1.374 CNCc1cccc(n1)C(=O)OC 270004a_106832991635_100000085286 [0,3,0,0,0,0|1,0,0]=4 24220 B13R1.374 CNCc1cccc(n1)C(=O)OC 34a_100102657272_100010006753 [0,3,0,0,0,0|1,0,0]=4 24221 B13R1.374 CNCc1cccc(n1)C(=O)OC 7a_106832991635_100000097194 [0,3,0,0,0,0|1,0,0]=4 24222 B13R1.374 CNCc1cncc(c1)C(=O)OC 2230a_106832991635_100020633827 [0,3,0,0,0,0|1,0,0]=4 24223 B13R1.374 CNCc1cncc(c1)C(=O)OC 7a_106832991635_100020633827 [0,3,0,0,0,0|1,0,0]=4 24224 B13R1.374 COC(=O)c1cc(ccn1)OCF 34a_200020638413_100015361967 [0,3,0,0,0,0|1,0,0]=4 24225 B13R1.374 COC(=O)c1cc(ccn1)SCF 62a_100000693414_100015361967 [0,3,0,0,0,0|1,0,0]=4 24226 B13R1.374 COC(=O)c1cc(ccn1)SCF 62a_100015361967_100000693414 [0,3,0,0,0,0|1,0,0]=4 24227 B13R1.374 COC(=O)c1cccc(c1)CO[13CH3] 34a_100000750316_200025704644 [0,3,0,0,0,0|0,0,0]=3 24228 B13R1.374 COC(=O)c1cccc(c1)CO[13CH3] 7a_100000750316_200025704644 [0,3,0,0,0,0|0,0,0]=3 24229 B13R1.374 COC(=O)c1cccc(c1)CSC 62a_100000184886_200000210301 [0,3,0,0,0,0|0,0,0]=3 24230 B13R1.374 COC(=O)c1cccc(c1)CSC 62a_200000210301_100000184886 [0,3,0,0,0,0|0,0,0]=3 24231 B13R1.374 COC(=O)c1cccc(c1)CS[13CH3] 62a_100000184886_200025704644 [0,3,0,0,0,0|0,0,0]=3 24232 B13R1.374 COC(=O)c1cccc(c1)CS[13CH3] 62a_200025704644_100000184886 [0,3,0,0,0,0|0,0,0]=3 24233 B13R1.374 COC(=O)c1cccc(c1)OCF 34a_100000150331_100015361967 [0,3,0,0,0,0|0,0,0]=3 24234 B13R1.374 COC(=O)c1cccc(c1)OCF 7a_100000150331_100015361967 [0,3,0,0,0,0|0,0,0]=3 24235 B13R1.374 COC(=O)c1cccc(c1)SCF 62a_100000148848_100015361967 [0,3,0,0,0,0|0,0,0]=3 24236 B13R1.374 COC(=O)c1cccc(c1)SCF 62a_100015361967_100000148848 [0,3,0,0,0,0|0,0,0]=3 24237 B13R1.374 COC(=O)c1cccc(n1)CSC 62a_100000097194_200000210301 [0,3,0,0,0,0|1,0,0]=4 24238 B13R1.374 COC(=O)c1cccc(n1)CSC 62a_200000210301_100010006753 [0,3,0,0,0,0|1,0,0]=4 24239 B13R1.374 COC(=O)c1cccc(n1)CS[13CH3] 62a_100000097194_200025704644 [0,3,0,0,0,0|1,0,0]=4 24240 B13R1.374 COC(=O)c1cccc(n1)CS[13CH3] 62a_200025704644_100010006753 [0,3,0,0,0,0|1,0,0]=4 24241 B13R1.374 COC(=O)c1cccc(n1)SCF 62a_100000708286_100015361967 [0,3,0,0,0,0|1,0,0]=4 24242 B13R1.374 COC(=O)c1cccc(n1)SCF 62a_100015361967_100000708286 [0,3,0,0,0,0|1,0,0]=4 24243 B13R1.374 COC(=O)c1ccnc(c1)CSC 62a_100020667620_200000210301 [0,3,0,0,0,0|1,0,0]=4 24244 B13R1.374 COC(=O)c1ccnc(c1)CSC 62a_200000210301_100020667620 [0,3,0,0,0,0|1,0,0]=4 24245 B13R1.374 COC(=O)c1ccnc(c1)CS[13CH3] 62a_100020667620_200025704644 [0,3,0,0,0,0|1,0,0]=4 24246 B13R1.374 COC(=O)c1ccnc(c1)CS[13CH3] 62a_200025704644_100020667620 [0,3,0,0,0,0|1,0,0]=4 24247 B13R1.374 COC(=O)c1ccnc(c1)OCF 34a_100138552365_100015361967 [0,3,0,0,0,0|1,0,0]=4 24248 B13R1.374 COC(=O)c1ccnc(c1)SCF 62a_100011934382_100015361967 [0,3,0,0,0,0|1,0,0]=4 24249 B13R1.374 COC(=O)c1ccnc(c1)SCF 62a_100015361967_100011934382 [0,3,0,0,0,0|1,0,0]=4 24250 B13R1.374 COC(=O)c1cncc(c1)CO[13CH3] 34a_100009869914_200025704644 [0,3,0,0,0,0|1,0,0]=4 24251 B13R1.374 COC(=O)c1cncc(c1)CO[13CH3] 7a_100009869914_200025704644 [0,3,0,0,0,0|1,0,0]=4 24252 B13R1.374 COC(=O)c1cncc(c1)CSC 62a_100020633827_200000210301 [0,3,0,0,0,0|1,0,0]=4 24253 B13R1.374 COC(=O)c1cncc(c1)CSC 62a_200000210301_100020633827 [0,3,0,0,0,0|1,0,0]=4 24254 B13R1.374 COC(=O)c1cncc(c1)CS[13CH3] 62a_100020633827_200025704644 [0,3,0,0,0,0|1,0,0]=4 24255 B13R1.374 COC(=O)c1cncc(c1)CS[13CH3] 62a_200025704644_100020633827 [0,3,0,0,0,0|1,0,0]=4 24256 B13R1.374 COC(=O)c1cncc(c1)OCF 34a_100000687108_100015361967 [0,3,0,0,0,0|1,0,0]=4 24257 B13R1.374 COC(=O)c1cncc(c1)OCF 7a_100000687108_100015361967 [0,3,0,0,0,0|1,0,0]=4 24258 B13R1.374 COC(=O)c1cncc(c1)SCF 62a_100000148912_100015361967 [0,3,0,0,0,0|1,0,0]=4 24259 B13R1.374 COC(=O)c1cncc(c1)SCF 62a_100015361967_100000148912 [0,3,0,0,0,0|1,0,0]=4 24260 B13R1.374 COCc1cccc(c1)C(=O)CF 1458a_100000199024_100015361967 [0,3,0,0,0,0|0,0,0]=3 24261 B13R1.374 COCc1cccc(c1)C(=O)OC 34a_100000750316_200000210301 [0,3,0,0,0,0|0,0,0]=3 24262 B13R1.374 COCc1cccc(c1)C(=O)OC 34a_100138415774_100000184886 [0,3,0,0,0,0|0,0,0]=3 24263 B13R1.374 COCc1cccc(c1)C(=O)OC 7a_100000750316_200000210301 [0,3,0,0,0,0|0,0,0]=3 24264 B13R1.374 COCc1cccc(n1)C(=O)OC 34a_100138415774_100010006753 [0,3,0,0,0,0|1,0,0]=4 24265 B13R1.374 COCc1cncc(c1)C(=O)OC 34a_100009869914_200000210301 [0,3,0,0,0,0|1,0,0]=4 24266 B13R1.374 COCc1cncc(c1)C(=O)OC 7a_100009869914_200000210301 [0,3,0,0,0,0|1,0,0]=4 24267 B13R1.374 N#CC(=O)c1cccc(c1)SCF 62a_100015361967_100010169886 [0,3,0,0,0,0|0,0,1]=4 24268 B13R1.374 N#CCc1cccc(c1)C(=O)CF 1458a_100000027370_100015361967 [0,3,0,0,0,0|0,0,0]=3 24269 B13R1.374 NCC(=O)c1cccc(c1)SCF 62a_100015361967_100020587001 [0,3,0,0,0,0|0,0,0]=3 24270 B13R1.374 NCC(=O)c1cccc(c1)SCF 62a_100020587001_100015361967 [0,3,0,0,0,0|0,0,0]=3 24271 B13R1.374 NNC(=O)c1cccc(c1)OCF 34a_100000184184_100015361967 [0,3,0,0,0,0|1,0,0]=4 24272 B13R1.374 NNC(=O)c1cccc(c1)SCF 62a_100000189783_100015361967 [0,3,0,0,0,0|1,0,0]=4 24273 B13R1.374 NNC(=O)c1cccc(c1)SCF 62a_100015361967_100000189783 [0,3,0,0,0,0|1,0,0]=4 24274 B13R1.374 O=C(CBr)c1cccc(c1)OCF 7a_100009813753_100015361967 [0,3,0,0,0,0|0,0,0]=3 24275 B13R1.374 O=C(CF)c1cccc(c1)CCO 1458a_100009869812_100015361967 [0,3,0,0,0,0|0,0,0]=3 24276 B13R1.374 O=CC(=O)c1cccc(c1)SCF 62a_100000726164_100015361967 [0,3,0,0,0,0|0,0,1]=4 24277 B13R1.374 O=CC(=O)c1cccc(c1)SCF 62a_100015361967_100000726164 [0,3,0,0,0,0|0,0,1]=4 24278 B13R1.543 C=C(C)c1cc(ccn1)C(=O)NC 271570a_100000694244_100011196506 [0,3,0,0,0,0|1,0,0]=4 24279 B13R1.543 C=C(C)c1cc(ccn1)C(=O)OC 271570a_100000694244_100011934382 [0,3,0,0,0,0|1,0,0]=4 24280 B13R1.543 C=C(C)c1cccc(c1)C(=O)C#N 271570a_100000694244_100010169886 [0,3,0,0,0,0|0,0,1]=4 24281 B13R1.543 C=C(C)c1cccc(c1)C(=O)C=O 271570a_100000694244_100000726164 [0,3,0,0,0,0|0,0,1]=4 24282 B13R1.543 C=C(C)c1cccc(c1)C(=O)CC 271570a_100000694244_100000211677 [0,3,0,0,0,0|0,0,0]=3 24283 B13R1.543 C=C(C)c1cccc(c1)C(=O)CN 271570a_100000694244_100020587001 [0,3,0,0,0,0|0,0,0]=3 24284 B13R1.543 C=C(C)c1cccc(c1)C(=O)NC 271570a_100000694244_100000155082 [0,3,0,0,0,0|0,0,0]=3 24285 B13R1.543 C=C(C)c1cccc(c1)C(=O)NN 271570a_100000694244_100000189783 [0,3,0,0,0,0|1,0,0]=4 24286 B13R1.543 C=C(C)c1cccc(c1)C(=O)OC 271570a_100000694244_100000148679 [0,3,0,0,0,0|0,0,0]=3 24287 B13R1.543 C=C(C)c1cccc(c1)C(C)NC 271570a_100000694244_100025717457 [0,3,0,0,0,0|1,0,0]=4 24288 B13R1.543 C=C(C)c1cccc(c1)C(N)CO 271570a_100000694244_100000690078 [0,3,0,0,0,0|1,0,0]=4 24289 B13R1.543 C=C(C)c1cccc(c1)C(O)CC 271570a_100000694244_200013212081 [0,3,0,0,0,0|1,0,0]=4 24290 B13R1.543 C=C(C)c1cccc(c1)[C@@H](N)CC 271570a_100000694244_100102422761 [0,3,0,0,0,0|1,0,0]=4 24291 B13R1.543 C=C(C)c1cccc(n1)C(=O)CC 271570a_100000694244_100011004013 [0,3,0,0,0,0|1,0,0]=4 24292 B13R1.543 C=C(C)c1cccc(n1)C(=O)NC 271570a_100000694244_100000755456 [0,3,0,0,0,0|1,0,0]=4 24293 B13R1.543 C=C(C)c1cccc(n1)C(=O)OC 271570a_100000694244_100000708286 [0,3,0,0,0,0|1,0,0]=4 24294 B13R1.543 C=C(C)c1ccnc(c1)C(=O)CC 271570a_100000694244_200000094848 [0,3,0,0,0,0|1,0,0]=4 24295 B13R1.543 C=C(C)c1ccnc(c1)C(=O)NC 271570a_100000694244_100000204654 [0,3,0,0,0,0|1,0,0]=4 24296 B13R1.543 C=C(C)c1ccnc(c1)C(=O)OC 271570a_100000694244_100000693414 [0,3,0,0,0,0|1,0,0]=4 24297 B13R1.543 C=C(C)c1cncc(c1)C(=O)NC 271570a_100000694244_200000155086 [0,3,0,0,0,0|1,0,0]=4 24298 B13R1.543 C=C(C)c1cncc(c1)C(=O)OC 271570a_100000694244_100000148912 [0,3,0,0,0,0|1,0,0]=4 24299 B13R1.543 CC(=O)c1cccc(c1)C(C)C#N 1458a_100000049063_200000210301 [0,3,0,0,0,0|0,0,0]=3 24300 B13R1.543 CC(C#N)c1cccc(c1)C(=O)[13CH3] 1458a_100000049063_200025704644 [0,3,0,0,0,0|0,0,0]=3 24301 B13R1.543 CC(C)c1cccc(c1)C(=O)CF 1458a_100011934808_100015361967 [0,3,0,0,0,0|0,0,0]=3 24302 B13R1.543 CC(O)c1cccc(c1)C(=O)CF 1458a_100000090953_100015361967 [0,3,0,0,0,0|0,0,0]=3 24303 B13R1.543 CCC(=O)c1cc(ccn1)C(F)F 1458a_100009881524_100000210202 [0,3,0,0,0,0|1,0,0]=4 24304 B13R1.543 CCC(=O)c1cccc(c1)C(=O)N 1458a_100000736676_100000210202 [0,3,0,0,0,0|0,0,1]=4 24305 B13R1.543 CCC(=O)c1cccc(c1)C(C)C 1458a_100011934808_100000210202 [0,3,0,0,0,0|0,0,0]=3 24306 B13R1.543 CCC(=O)c1cccc(c1)C(C)O 1458a_100000090953_100000210202 [0,3,0,0,0,0|0,0,0]=3 24307 B13R1.543 CCC(=O)c1cccc(c1)C(F)F 1458a_100000752119_100000210202 [0,3,0,0,0,0|0,0,0]=3 24308 B13R1.543 CCC(=O)c1cccc(c1)N(C)C 1458a_100000210872_100000210202 [0,3,0,0,0,0|0,0,0]=3 24309 B13R1.543 CCC(=O)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_100000210202 [0,3,0,0,0,0|1,0,0]=4 24310 B13R1.543 CCN(C)c1cccc(c1)C(=O)O 269956a_100159270034_200000210301 [0,3,0,0,0,0|1,0,0]=4 24311 B13R1.543 CCN([13CH3])c1cccc(c1)C(=O)O 269956a_100159270034_200025704644 [0,3,0,0,0,0|1,0,0]=4 24312 B13R1.543 CN(C)c1cccc(c1)C(=O)CF 1458a_100000210872_100015361967 [0,3,0,0,0,0|0,0,0]=3 24313 B13R1.543 CNC(=O)c1cc(ccn1)C(F)F 11a_106832991635_100009881524 [0,3,0,0,0,0|1,0,0]=4 24314 B13R1.543 CNC(=O)c1cc(ccn1)C(F)F 1626a_100102657272_100009881524 [0,3,0,0,0,0|1,0,0]=4 24315 B13R1.543 CNC(=O)c1cc(ccn1)C(F)F 240690a_100102657272_100009881524 [0,3,0,0,0,0|1,0,0]=4 24316 B13R1.543 CNC(=O)c1cc(ccn1)C(F)F 527a_100102657272_100009881524 [0,3,0,0,0,0|1,0,0]=4 24317 B13R1.543 CNC(=O)c1cc(ccn1)N(C)C 27a_100102631434_100000204654 [0,3,0,0,0,0|1,0,0]=4 24318 B13R1.543 CNC(=O)c1cccc(c1)C(=O)N 11a_106832991635_100000736676 [0,3,0,0,0,0|0,0,1]=4 24319 B13R1.543 CNC(=O)c1cccc(c1)C(=O)N 1626a_100102657272_100000736676 [0,3,0,0,0,0|0,0,1]=4 24320 B13R1.543 CNC(=O)c1cccc(c1)C(=O)N 240690a_100102657272_100000736676 [0,3,0,0,0,0|0,0,1]=4 24321 B13R1.543 CNC(=O)c1cccc(c1)C(=O)N 527a_100102657272_100000736676 [0,3,0,0,0,0|0,0,1]=4 24322 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 11a_106832991635_100011934808 [0,3,0,0,0,0|0,0,0]=3 24323 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 1626a_100102657272_100011934808 [0,3,0,0,0,0|0,0,0]=3 24324 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 240690a_100102657272_100011934808 [0,3,0,0,0,0|0,0,0]=3 24325 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 527a_100102657272_100011934808 [0,3,0,0,0,0|0,0,0]=3 24326 B13R1.543 CNC(=O)c1cccc(c1)C(C)O 240690a_100102657272_100000090953 [0,3,0,0,0,0|0,0,0]=3 24327 B13R1.543 CNC(=O)c1cccc(c1)C(F)F 11a_106832991635_100000752119 [0,3,0,0,0,0|0,0,0]=3 24328 B13R1.543 CNC(=O)c1cccc(c1)C(F)F 1626a_100102657272_100000752119 [0,3,0,0,0,0|0,0,0]=3 24329 B13R1.543 CNC(=O)c1cccc(c1)C(F)F 240690a_100102657272_100000752119 [0,3,0,0,0,0|0,0,0]=3 24330 B13R1.543 CNC(=O)c1cccc(c1)C(F)F 527a_100102657272_100000752119 [0,3,0,0,0,0|0,0,0]=3 24331 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 11a_106832991635_100000210872 [0,3,0,0,0,0|0,0,0]=3 24332 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 1626a_100102657272_100000210872 [0,3,0,0,0,0|0,0,0]=3 24333 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 240690a_100102657272_100000210872 [0,3,0,0,0,0|0,0,0]=3 24334 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 527a_100102657272_100000210872 [0,3,0,0,0,0|0,0,0]=3 24335 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] 11a_106832991635_100000185806 [0,3,0,0,0,0|1,0,0]=4 24336 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] 1626a_100102657272_100000185806 [0,3,0,0,0,0|1,0,0]=4 24337 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] 240690a_100102657272_100000185806 [0,3,0,0,0,0|1,0,0]=4 24338 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] 527a_100102657272_100000185806 [0,3,0,0,0,0|1,0,0]=4 24339 B13R1.543 CNC(=O)c1cccc(n1)N(C)C 27a_100102631434_100000755456 [0,3,0,0,0,0|1,0,0]=4 24340 B13R1.543 CNC(=O)c1cncc(c1)N(C)C 27a_100102631434_200000155086 [0,3,0,0,0,0|1,0,0]=4 24341 B13R1.543 CN[C@H](C)c1cccc(c1)C(=O)O 269956a_102495333982_200000210301 [0,3,0,0,0,0|1,0,0]=4 24342 B13R1.543 COC(=O)c1cccc(c1)C(=O)C 1458a_100000035267_200000210301 [0,3,0,0,0,0|0,0,0]=3 24343 B13R1.543 COC(=O)c1cccc(c1)C(=O)[13CH3] 1458a_100000035267_200025704644 [0,3,0,0,0,0|0,0,0]=3 24344 B13R1.543 COC(=O)c1cccc(n1)N(C)C 27a_100102631434_100000708286 [0,3,0,0,0,0|1,0,0]=4 24345 B13R1.543 C[C@@H](N[13CH3])c1cccc(c1)C(=O)O 269956a_102495333982_200025704644 [0,3,0,0,0,0|1,0,0]=4 24346 B13R1.543 NC(=O)c1cccc(c1)C(=O)CF 1458a_100000736676_100015361967 [0,3,0,0,0,0|0,0,1]=4 24347 B13R1.543 O=C(CF)c1cc(ccn1)C(F)F 1458a_100009881524_100015361967 [0,3,0,0,0,0|1,0,0]=4 24348 B13R1.543 O=C(CF)c1cccc(c1)C(F)F 1458a_100000752119_100015361967 [0,3,0,0,0,0|0,0,0]=3 24349 B13R1.543 O=C(CF)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_100015361967 [0,3,0,0,0,0|1,0,0]=4 24350 B13R1.31 C=C(C)c1cc(cc(c1)CC#N)F 271570a_100000694244_100000729538 [0,3,0,0,0,0|1,0,0]=4 24351 B13R1.31 C=C(C)c1cc(cc(c1)CCO)F 271570a_100000694244_100012630564 [0,3,0,0,0,0|1,0,0]=4 24352 B13R1.31 C=C(C)c1cc(cc(c1)COC)F 271570a_100000694244_100012630430 [0,3,0,0,0,0|1,0,0]=4 24353 B13R1.31 C=C(C)c1cc(cc(c1)OCC)F 271570a_100000694244_100012343907 [0,3,0,0,0,0|1,0,0]=4 24354 B13R1.31 C=C=Cc1cc(cc(c1)C(=O)C)Br 271570a_100015277604_100010005435 [0,3,0,0,0,0|0,0,1]=4 24355 B13R1.31 C=C=Cc1cc(cc(c1)C(=O)C)C 271570a_100015277604_100000694479 [0,3,0,0,0,0|0,0,0]=3 24356 B13R1.31 C=C=Cc1cc(cc(c1)C(=O)C)F 271570a_100015277604_100012361402 [0,3,0,0,0,0|0,0,1]=4 24357 B13R1.31 C=C=Cc1cc(cc(c1)C(=O)N)C 271570a_100015277604_200012348365 [0,3,0,0,0,0|1,0,0]=4 24358 B13R1.31 C=C=Cc1cc(cc(n1)C)C(=O)C 271570a_100015277604_100009884196 [0,3,0,0,0,0|1,0,0]=4 24359 B13R1.31 CC(=O)c1cc(cc(c1)OCF)C 34a_100009855872_100015361967 [0,3,0,0,0,0|0,0,0]=3 24360 B13R1.31 CC(=O)c1cc(cc(c1)OCF)C 7a_100009855872_100015361967 [0,3,0,0,0,0|0,0,0]=3 24361 B13R1.31 CC(=O)c1cc(cc(c1)SCF)Br 62a_100010005435_100015361967 [0,3,0,0,0,0|0,0,0]=3 24362 B13R1.31 CC(=O)c1cc(cc(c1)SCF)Br 62a_100015361967_100010005435 [0,3,0,0,0,0|0,0,0]=3 24363 B13R1.31 CC(=O)c1cc(cc(c1)SCF)C 62a_100000694479_100015361967 [0,3,0,0,0,0|0,0,0]=3 24364 B13R1.31 CC(=O)c1cc(cc(c1)SCF)C 62a_100015361967_100000694479 [0,3,0,0,0,0|0,0,0]=3 24365 B13R1.31 CC(=O)c1cc(cc(c1)SCF)F 62a_100012361402_100015361967 [0,3,0,0,0,0|0,0,0]=3 24366 B13R1.31 CC(=O)c1cc(cc(c1)SCF)F 62a_100015361967_100012361402 [0,3,0,0,0,0|0,0,0]=3 24367 B13R1.31 CC(=O)c1cc(nc(c1)SCF)C 62a_100009884196_100015361967 [0,3,0,0,0,0|1,0,0]=4 24368 B13R1.31 CC(=O)c1cc(nc(c1)SCF)C 62a_100015361967_100009884196 [0,3,0,0,0,0|1,0,0]=4 24369 B13R1.31 CC=Cc1cc(cc(c1)C(=O)C)Br 271570a_100016259895_100010005435 [0,3,0,0,0,0|0,0,0]=3 24370 B13R1.31 CC=Cc1cc(cc(c1)C(=O)C)C 271570a_100016259895_100000694479 [0,3,0,0,0,0|0,0,0]=3 24371 B13R1.31 CC=Cc1cc(cc(c1)C(=O)C)F 271570a_100016259895_100012361402 [0,3,0,0,0,0|0,0,0]=3 24372 B13R1.31 CC=Cc1cc(cc(c1)C(=O)N)C 271570a_100016259895_200012348365 [0,3,0,0,0,0|1,0,0]=4 24373 B13R1.31 CC=Cc1cc(cc(c1)C(=O)N)F 271570a_100016259895_200011280034 [0,3,0,0,0,0|1,0,0]=4 24374 B13R1.31 CC=Cc1cc(cc(c1)C(=O)N)O 271570a_100016259895_100010084318 [0,3,0,0,0,0|1,0,0]=4 24375 B13R1.31 CC=Cc1cc(cc(n1)C)C(=O)C 271570a_100016259895_100009884196 [0,3,0,0,0,0|1,0,0]=4 24376 B13R1.31 CCNc1cc(cc(c1)C(=O)N)F 34a_200011998915_100000210202 [0,3,0,0,0,0|1,0,0]=4 24377 B13R1.31 CCNc1cc(cc(c1)C(=O)N)F 7a_200011998915_100000210202 [0,3,0,0,0,0|1,0,0]=4 24378 B13R1.31 CCOc1cc(cc(c1)C(=O)C)C 1458a_200010998560_200000210301 [0,3,0,0,0,0|0,0,0]=3 24379 B13R1.31 CCOc1cc(cc(c1)C(=O)C)C 34a_100009855872_100000210202 [0,3,0,0,0,0|0,0,0]=3 24380 B13R1.31 CCOc1cc(cc(c1)C(=O)C)C 7a_100009855872_100000210202 [0,3,0,0,0,0|0,0,0]=3 24381 B13R1.31 CCOc1cc(cc(c1)C(=O)N)Br 34a_100010084318_100000210202 [0,3,0,0,0,0|1,0,0]=4 24382 B13R1.31 CCOc1cc(cc(c1)C(=O)N)Br 7a_100010084318_100000210202 [0,3,0,0,0,0|1,0,0]=4 24383 B13R1.31 CCOc1cc(cc(c1)C(=O)[13CH3])C 1458a_200010998560_200025704644 [0,3,0,0,0,0|0,0,0]=3 24384 B13R1.31 CCSc1cc(cc(c1)C(=O)C)Br 62a_100000210202_100010005435 [0,3,0,0,0,0|0,0,0]=3 24385 B13R1.31 CCSc1cc(cc(c1)C(=O)C)Br 62a_100010005435_100000210202 [0,3,0,0,0,0|0,0,0]=3 24386 B13R1.31 CCSc1cc(cc(c1)C(=O)C)C 62a_100000210202_100000694479 [0,3,0,0,0,0|0,0,0]=3 24387 B13R1.31 CCSc1cc(cc(c1)C(=O)C)C 62a_100000694479_100000210202 [0,3,0,0,0,0|0,0,0]=3 24388 B13R1.31 CCSc1cc(cc(c1)C(=O)C)F 62a_100000210202_100012361402 [0,3,0,0,0,0|0,0,0]=3 24389 B13R1.31 CCSc1cc(cc(c1)C(=O)C)F 62a_100012361402_100000210202 [0,3,0,0,0,0|0,0,0]=3 24390 B13R1.31 CCSc1cc(cc(c1)C(=O)N)C 62a_100000210202_200012348365 [0,3,0,0,0,0|1,0,0]=4 24391 B13R1.31 CCSc1cc(cc(c1)C(=O)N)C 62a_200012348365_100000210202 [0,3,0,0,0,0|1,0,0]=4 24392 B13R1.31 CCSc1cc(cc(c1)C(=O)N)F 62a_100000210202_200011280034 [0,3,0,0,0,0|1,0,0]=4 24393 B13R1.31 CCSc1cc(cc(c1)C(=O)N)F 62a_200011280034_100000210202 [0,3,0,0,0,0|1,0,0]=4 24394 B13R1.31 CCSc1cc(cc(c1)C(=O)N)O 62a_100000210202_100010084318 [0,3,0,0,0,0|1,0,0]=4 24395 B13R1.31 CCSc1cc(cc(c1)C(=O)N)O 62a_100010084318_100000210202 [0,3,0,0,0,0|1,0,0]=4 24396 B13R1.31 CCSc1cc(cc(n1)C)C(=O)C 62a_100000210202_100009884196 [0,3,0,0,0,0|1,0,0]=4 24397 B13R1.31 CCSc1cc(cc(n1)C)C(=O)C 62a_100009884196_100000210202 [0,3,0,0,0,0|1,0,0]=4 24398 B13R1.31 CNCc1cc(cc(c1)C(=O)C)C 26a_100102657272_100009855872 [0,3,0,0,0,0|0,0,0]=3 24399 B13R1.31 CNCc1cc(cc(c1)C(=O)N)Br 26a_100102657272_100010084318 [0,3,0,0,0,0|1,0,0]=4 24400 B13R1.31 Cc1cc(cc(c1)C(=O)N)SCF 62a_100015361967_200012348365 [0,3,0,0,0,0|1,0,0]=4 24401 B13R1.31 Cc1cc(cc(c1)C(=O)N)SCF 62a_200012348365_100015361967 [0,3,0,0,0,0|1,0,0]=4 24402 B13R1.31 NC(=O)c1cc(cc(c1)NCF)F 34a_200011998915_100015361967 [0,3,0,0,0,0|1,0,0]=4 24403 B13R1.31 NC(=O)c1cc(cc(c1)NCF)F 7a_200011998915_100015361967 [0,3,0,0,0,0|1,0,0]=4 24404 B13R1.31 NC(=O)c1cc(cc(c1)OCF)Br 34a_100010084318_100015361967 [0,3,0,0,0,0|1,0,0]=4 24405 B13R1.31 NC(=O)c1cc(cc(c1)OCF)Br 7a_100010084318_100015361967 [0,3,0,0,0,0|1,0,0]=4 24406 B13R1.31 NC(=O)c1cc(cc(c1)SCF)F 62a_100015361967_200011280034 [0,3,0,0,0,0|1,0,0]=4 24407 B13R1.31 NC(=O)c1cc(cc(c1)SCF)F 62a_200011280034_100015361967 [0,3,0,0,0,0|1,0,0]=4 24408 B13R1.31 NC(=O)c1cc(cc(c1)SCF)O 62a_100010084318_100015361967 [0,3,0,0,0,0|1,0,0]=4 24409 B13R1.31 NC(=O)c1cc(cc(c1)SCF)O 62a_100015361967_100010084318 [0,3,0,0,0,0|1,0,0]=4 24410 B13R1.57 CNc1cc(cc(c1)S(=O)(=O)C)Br 34a_200010115582_200000210301 [0,3,0,0,0,0|1,0,0]=4 24411 B13R1.57 CNc1cc(cc(c1)S(=O)(=O)C)Br 7a_200010115582_200000210301 [0,3,0,0,0,0|1,0,0]=4 24412 B13R1.57 CS(=O)(=O)c1cc(cc(c1)N[13CH3])Br 34a_200010115582_200025704644 [0,3,0,0,0,0|1,0,0]=4 24413 B13R1.57 CS(=O)(=O)c1cc(cc(c1)N[13CH3])Br 7a_200010115582_200025704644 [0,3,0,0,0,0|1,0,0]=4 24414 B13R1.57 CS(=O)(=O)c1cc(cc(c1)S[13CH3])F 62a_200010884439_200025704644 [0,3,0,0,0,0|1,0,0]=4 24415 B13R1.57 CS(=O)(=O)c1cc(cc(c1)S[13CH3])F 62a_200025704644_200010884439 [0,3,0,0,0,0|1,0,0]=4 24416 B13R1.57 CS(=O)(=O)c1cc(cc(c1)S[13CH3])N 62a_200010115582_200025704644 [0,3,0,0,0,0|1,0,0]=4 24417 B13R1.57 CS(=O)(=O)c1cc(cc(c1)S[13CH3])N 62a_200025704644_200010115582 [0,3,0,0,0,0|1,0,0]=4 24418 B13R1.57 CSc1cc(cc(c1)S(=O)(=O)C)F 62a_200000210301_200010884439 [0,3,0,0,0,0|1,0,0]=4 24419 B13R1.57 CSc1cc(cc(c1)S(=O)(=O)C)F 62a_200010884439_200000210301 [0,3,0,0,0,0|1,0,0]=4 24420 B13R1.57 CSc1cc(cc(c1)S(=O)(=O)C)N 62a_200000210301_200010115582 [0,3,0,0,0,0|1,0,0]=4 24421 B13R1.57 CSc1cc(cc(c1)S(=O)(=O)C)N 62a_200010115582_200000210301 [0,3,0,0,0,0|1,0,0]=4 24422 B13R1.126 C=C(C)c1cc(cc(c1)B(O)O)C 271570a_100000694244_100009814731 [0,3,0,0,0,0|1,0,0]=4 24423 B13R1.126 C=C(C)c1cc(cc(c1)C(=O)C)Br 271570a_100000694244_100010005435 [0,3,0,0,0,0|0,0,0]=3 24424 B13R1.126 C=C(C)c1cc(cc(c1)C(=O)C)C 271570a_100000694244_100000694479 [0,3,0,0,0,0|0,0,0]=3 24425 B13R1.126 C=C(C)c1cc(cc(c1)C(=O)C)F 271570a_100000694244_100012361402 [0,3,0,0,0,0|0,0,0]=3 24426 B13R1.126 C=C(C)c1cc(cc(c1)C(=O)N)C 271570a_100000694244_200012348365 [0,3,0,0,0,0|1,0,0]=4 24427 B13R1.126 C=C(C)c1cc(cc(c1)C(=O)N)F 271570a_100000694244_200011280034 [0,3,0,0,0,0|1,0,0]=4 24428 B13R1.126 C=C(C)c1cc(cc(c1)C(=O)N)O 271570a_100000694244_100010084318 [0,3,0,0,0,0|1,0,0]=4 24429 B13R1.126 C=C(C)c1cc(cc(c1)C(C)C)Br 271570a_100000694244_200015473176 [0,3,0,0,0,0|1,0,0]=4 24430 B13R1.126 C=C(C)c1cc(cc(c1)C(C)C)N 271570a_100000694244_100010369243 [0,3,0,0,0,0|1,0,0]=4 24431 B13R1.126 C=C(C)c1cc(cc(c1)C(F)F)F 271570a_100000694244_100010204260 [0,3,0,0,0,0|1,0,0]=4 24432 B13R1.126 C=C(C)c1cc(cc(n1)C)C(=O)C 271570a_100000694244_100009884196 [0,3,0,0,0,0|1,0,0]=4 24433 B13R1.126 CC(=O)c1cc(cc(c1)C(C)C)Br 1458a_100010257297_200000210301 [0,3,0,0,0,0|0,0,0]=3 24434 B13R1.126 CC(=O)c1cc(cc(c1)[N+](=O)[O-])Br 1458a_100000687588_200000210301 [0,3,0,0,0,0|1,0,0]=4 24435 B13R1.126 CC(=O)c1cc(cc(c1)[N+](=O)[O-])C 1458a_100000745761_200000210301 [0,3,0,0,0,0|0,0,0]=3 24436 B13R1.126 CC(=O)c1cc(cc(c1)[N+](=O)[O-])Cl 1458a_100000757690_200000210301 [0,3,0,0,0,0|1,0,0]=4 24437 B13R1.126 CC(=O)c1cc(cc(c1)[N+](=O)[O-])F 1458a_100000753934_200000210301 [0,3,0,0,0,0|1,0,0]=4 24438 B13R1.126 CC(=O)c1cc(cc(c1)[N+](=O)[O-])I 1458a_100000695263_200000210301 [0,3,0,0,0,0|1,0,0]=4 24439 B13R1.126 CC(=O)c1cc(cc(c1)[N+](=O)[O-])O 1458a_100000060830_200000210301 [0,3,0,0,0,0|1,0,0]=4 24440 B13R1.126 CC(C)c1cc(cc(c1)C(=O)[13CH3])Br 1458a_100010257297_200025704644 [0,3,0,0,0,0|0,0,0]=3 24441 B13R1.126 Cc1cc(cc(c1)[N+](=O)[O-])C(=O)[13CH3] 1458a_100000745761_200025704644 [0,3,0,0,0,0|0,0,0]=3 24442 B13R1.126 [13CH3]C(=O)c1cc(cc(c1)[N+](=O)[O-])Br 1458a_100000687588_200025704644 [0,3,0,0,0,0|1,0,0]=4 24443 B13R1.126 [13CH3]C(=O)c1cc(cc(c1)[N+](=O)[O-])Cl 1458a_100000757690_200025704644 [0,3,0,0,0,0|1,0,0]=4 24444 B13R1.126 [13CH3]C(=O)c1cc(cc(c1)[N+](=O)[O-])F 1458a_100000753934_200025704644 [0,3,0,0,0,0|1,0,0]=4 24445 B13R1.126 [13CH3]C(=O)c1cc(cc(c1)[N+](=O)[O-])I 1458a_100000695263_200025704644 [0,3,0,0,0,0|1,0,0]=4 24446 B13R1.126 [13CH3]C(=O)c1cc(cc(c1)[N+](=O)[O-])O 1458a_100000060830_200025704644 [0,3,0,0,0,0|1,0,0]=4 24447 B13R1.299 C=C(C)c1cc(cc(c1F)C#N)C 271570a_100000694244_200010161325 [0,3,0,0,0,0|1,0,0]=4 24448 B13R1.299 C=C(C)c1cc(cc(c1F)C=O)C 271570a_100000694244_100010161323 [0,3,0,0,0,0|1,0,0]=4 24449 B13R1.299 C=C(C)c1cc(cc(c1F)CO)F 271570a_100000694244_100010988950 [0,3,0,0,0,0|1,0,0]=4 24450 B13R1.299 C=C(C)c1cc(cc(c1N)CO)F 271570a_100000694244_200010775858 [0,3,0,0,0,0|1,0,0]=4 24451 B13R1.299 C=C(C)c1cc(cc(c1N)NC)F 271570a_100000694244_200102954750 [0,3,0,0,0,0|1,0,0]=4 24452 B13R1.299 C=C(C)c1cc(cc(c1N)OC)F 271570a_100000694244_100011004115 [0,3,0,0,0,0|1,0,0]=4 24453 B13R1.299 C=C(C)c1cc(cc(c1O)C=O)C 271570a_100000694244_100000698970 [0,3,0,0,0,0|1,0,0]=4 24454 B13R1.299 C=C(C)c1cc(cc(c1O)OC)F 271570a_100000694244_200010391102 [0,3,0,0,0,0|1,0,0]=4 24455 B13R1.299 C=Cc1cc(cc(c1O)C(=O)C)C 271570a_100011290941_100011659362 [0,3,0,0,0,0|0,0,0]=3 24456 B13R1.299 CC(=O)c1cc(cc(c1O)S[13CH3])C 62a_200025704644_100011659362 [0,3,0,0,0,0|0,0,0]=3 24457 B13R1.299 COc1cc(cc(c1Cl)C(=O)C)Br 1458a_100015568607_200000210301 [0,3,0,0,0,0|0,0,0]=3 24458 B13R1.299 COc1cc(cc(c1Cl)C(=O)[13CH3])Br 1458a_100015568607_200025704644 [0,3,0,0,0,0|0,0,0]=3 24459 B13R1.299 COc1cc(cc(c1O)C(=O)C)Br 1458a_100012340195_200000210301 [0,3,0,0,0,0|0,0,0]=3 24460 B13R1.299 COc1cc(cc(c1O)C(=O)[13CH3])Br 1458a_100012340195_200025704644 [0,3,0,0,0,0|0,0,0]=3 24461 B13R1.299 CSc1cc(cc(c1O)C(=O)C)C 62a_200000210301_100011659362 [0,3,0,0,0,0|0,0,0]=3 24462 B13R1.299 CSc1cc(cc(c1O)C(=O)N)F 62a_200000210301_200135271384 [0,3,0,0,0,0|1,0,0]=4 24463 B13R1.299 CSc1cc(cc(c1O)C(=O)N)F 62a_200135271384_200000210301 [0,3,0,0,0,0|1,0,0]=4 24464 B13R1.299 [13CH3]Sc1cc(cc(c1O)C(=O)N)F 62a_200025704644_200135271384 [0,3,0,0,0,0|1,0,0]=4 24465 B13R1.299 [13CH3]Sc1cc(cc(c1O)C(=O)N)F 62a_200135271384_200025704644 [0,3,0,0,0,0|1,0,0]=4 24466 B13R1.313 C=C(C)c1cc(cc(c1)CC)CC 271570a_100000694244_100010187588 [0,3,0,0,0,0|1,0,0]=4 24467 B13R1.313 C=C(C)c1cc(cc(c1)CN)C#N 271570a_100000694244_114873767334 [0,3,0,0,0,0|1,0,0]=4 24468 B13R1.313 C=C(C)c1cc(cc(c1)CO)CO 271570a_100000694244_100010982946 [0,3,0,0,0,0|1,0,0]=4 24469 B13R1.313 C=C(C)c1cc(cc(c1)OC)C#N 271570a_100000694244_100011934654 [0,3,0,0,0,0|1,0,0]=4 24470 B13R1.313 C=C(C)c1cc(cc(c1)OC)C=O 271570a_100000694244_100009816777 [0,3,0,0,0,0|1,0,0]=4 24471 B13R1.313 C=C(C)c1cc(cc(c1)OC)CO 271570a_100000694244_100009995317 [0,3,0,0,0,0|1,0,0]=4 24472 B13R1.313 C=C(C)c1cc(cc(c1)OC)OC 271570a_100000694244_100000685218 [0,3,0,0,0,0|1,0,0]=4 24473 B13R1.313 C=C(C)c1cc(cc(c1)SC)OC 271570a_100000694244_200010709149 [0,3,0,0,0,0|1,0,0]=4 24474 B13R1.313 C=Cc1cc(cc(c1)C(=O)C)OC 271570a_100011290941_100010713257 [0,3,0,0,0,0|0,0,0]=3 24475 B13R1.313 C=Cc1cc(cc(c1)C(=O)N)OC 271570a_100011290941_100010146780 [0,3,0,0,0,0|1,0,0]=4 24476 B13R1.313 CCc1cc(cc(c1)C(=O)C)CC 1458a_100000092841_200000210301 [0,3,0,0,0,0|0,0,0]=3 24477 B13R1.313 CCc1cc(cc(c1)C(=O)[13CH3])CC 1458a_100000092841_200025704644 [0,3,0,0,0,0|0,0,0]=3 24478 B13R1.313 CNc1cc(cc(c1)C(=O)N)OC 34a_200012187661_200000210301 [0,3,0,0,0,0|1,0,0]=4 24479 B13R1.313 CNc1cc(cc(c1)C(=O)N)OC 7a_200012187661_200000210301 [0,3,0,0,0,0|1,0,0]=4 24480 B13R1.313 COc1cc(cc(c1)C(=O)C)OC 1458a_100000210870_200000210301 [0,3,0,0,0,0|0,0,0]=3 24481 B13R1.313 COc1cc(cc(c1)C(=O)C)SC 62a_100010713257_200000210301 [0,3,0,0,0,0|0,0,0]=3 24482 B13R1.313 COc1cc(cc(c1)C(=O)C)SC 62a_200000210301_100010713257 [0,3,0,0,0,0|0,0,0]=3 24483 B13R1.313 COc1cc(cc(c1)C(=O)C)S[13CH3] 62a_100010713257_200025704644 [0,3,0,0,0,0|0,0,0]=3 24484 B13R1.313 COc1cc(cc(c1)C(=O)C)S[13CH3] 62a_200025704644_100010713257 [0,3,0,0,0,0|0,0,0]=3 24485 B13R1.313 COc1cc(cc(c1)C(=O)N)N[13CH3] 34a_200012187661_200025704644 [0,3,0,0,0,0|1,0,0]=4 24486 B13R1.313 COc1cc(cc(c1)C(=O)N)N[13CH3] 7a_200012187661_200025704644 [0,3,0,0,0,0|1,0,0]=4 24487 B13R1.313 COc1cc(cc(c1)C(=O)N)SC 62a_100010146780_200000210301 [0,3,0,0,0,0|1,0,0]=4 24488 B13R1.313 COc1cc(cc(c1)C(=O)N)SC 62a_200000210301_100010146780 [0,3,0,0,0,0|1,0,0]=4 24489 B13R1.313 COc1cc(cc(c1)C(=O)N)S[13CH3] 62a_100010146780_200025704644 [0,3,0,0,0,0|1,0,0]=4 24490 B13R1.313 COc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200025704644_100010146780 [0,3,0,0,0,0|1,0,0]=4 24491 B13R1.313 COc1cc(cc(c1)C(=O)[13CH3])OC 1458a_100000210870_200025704644 [0,3,0,0,0,0|0,0,0]=3 24492 B13R1.437 C=C(C)c1cc(cc(c1F)F)CO 271570a_100000694244_100015464361 [0,3,0,0,0,0|1,0,0]=4 24493 B13R1.437 C=C(C)c1cc(cc(c1N)C)C#N 271570a_100000694244_100010208250 [0,3,0,0,0,0|1,0,0]=4 24494 B13R1.437 C=C(C)c1cc(cc(c1N)C)OC 271570a_100000694244_200011010636 [0,3,0,0,0,0|1,0,0]=4 24495 B13R1.437 C=C(C)c1cc(cc(c1N)N)OC 271570a_100000694244_100010194281 [0,3,0,0,0,0|1,0,0]=4 24496 B13R1.437 C=C(C)c1cc(cc(c1O)N)OC 271570a_100000694244_200010008348 [0,3,0,0,0,0|1,0,0]=4 24497 B13R1.437 CC(=O)c1cc(cc(c1Cl)Br)C#N 1458a_200015931683_200000210301 [0,3,0,0,0,0|0,0,1]=4 24498 B13R1.437 [13CH3]C(=O)c1cc(cc(c1Cl)Br)C#N 1458a_200015931683_200025704644 [0,3,0,0,0,0|0,0,1]=4 24499 B13R1.2818 C=C(C)c1c(c(cc(c1C)C)C)C 271570a_100000694244_100011215432 [0,3,0,0,0,0|1,0,0]=4 24500 B13R1.2818 C=C(C)c1c(c(cc(c1N)N)C)C 271570a_100000694244_100010077870 [0,3,0,0,0,0|1,0,0]=4 24501 B13R1.2818 CC(=O)c1c(c(cc(c1C)C)C)C 1458a_100011204818_200000210301 [0,3,0,0,0,0|0,0,0]=3 24502 B13R1.2818 CC(=O)c1c(c(cc(c1Cl)Cl)Cl)O 1458a_100000186488_200000210301 [0,3,0,0,0,0|1,0,0]=4 24503 B13R1.2818 CC(=O)c1c(c(cc(c1F)Br)F)F 1458a_100010874026_200000210301 [0,3,0,0,0,0|1,0,0]=4 24504 B13R1.2818 CC(=O)c1c(c(cc(c1F)F)F)F 1458a_100000766099_200000210301 [0,3,0,0,0,0|1,0,0]=4 24505 B13R1.2818 Cc1cc(c(c(c1C)C(=O)[13CH3])C)C 1458a_100011204818_200025704644 [0,3,0,0,0,0|0,0,0]=3 24506 B13R1.2818 [13CH3]C(=O)c1c(c(cc(c1Cl)Cl)Cl)O 1458a_100000186488_200025704644 [0,3,0,0,0,0|1,0,0]=4 24507 B13R1.2818 [13CH3]C(=O)c1c(c(cc(c1F)Br)F)F 1458a_100010874026_200025704644 [0,3,0,0,0,0|1,0,0]=4 24508 B13R1.2818 [13CH3]C(=O)c1c(c(cc(c1F)F)F)F 1458a_100000766099_200025704644 [0,3,0,0,0,0|1,0,0]=4 24509 B13R1.3255 C=C(C)c1cc(cc(c1C#N)C)F 271570a_100000694244_100010186299 [0,3,0,0,0,0|1,0,0]=4 24510 B13R1.3255 C=C(C)c1cc(cc(c1C#N)F)C 271570a_100000694244_100016215262 [0,3,0,0,0,0|1,0,0]=4 24511 B13R1.3255 C=C(C)c1cc(cc(c1C=O)C)F 271570a_100000694244_200015781908 [0,3,0,0,0,0|1,0,0]=4 24512 B13R1.3255 C=C(C)c1cc(cc(c1C=O)F)C 271570a_100000694244_100010341274 [0,3,0,0,0,0|1,0,0]=4 24513 B13R1.3255 C=C(C)c1cc(cc(c1CO)F)C 271570a_100000694244_100016175008 [0,3,0,0,0,0|1,0,0]=4 24514 B13R1.3255 C=C(C)c1cc(cc(c1OC)C)N 271570a_100000694244_100010071304 [0,3,0,0,0,0|1,0,0]=4 24515 B13R1.3255 C=C(C)c1cc(cc(c1OC)F)C 271570a_100000694244_200010713180 [0,3,0,0,0,0|1,0,0]=4 24516 B13R1.3255 C=C(C)c1cc(cc(c1SC)F)C 271570a_100000694244_202125771776 [0,3,0,0,0,0|1,0,0]=4 24517 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Br)Br 7a_100000212130_200025704644 [0,3,0,0,0,0|1,0,0]=4 24518 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Br)C 7a_100011659362_200025704644 [0,3,0,0,0,0|0,0,0]=3 24519 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Br)Cl 7a_100011218835_200025704644 [0,3,0,0,0,0|1,0,0]=4 24520 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])C)C 34a_100000188341_200025704644 [0,3,0,0,0,0|0,0,0]=3 24521 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])C)C 7a_100000188341_200025704644 [0,3,0,0,0,0|0,0,0]=3 24522 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)C 34a_100010659243_200025704644 [0,3,0,0,0,0|0,0,0]=3 24523 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)C 7a_100010659243_200025704644 [0,3,0,0,0,0|0,0,0]=3 24524 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)Cl 7a_100000182809_200025704644 [0,3,0,0,0,0|1,0,0]=4 24525 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)F 34a_100011659368_200025704644 [0,3,0,0,0,0|1,0,0]=4 24526 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)F 7a_100011659368_200025704644 [0,3,0,0,0,0|1,0,0]=4 24527 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])F)F 34a_100000751779_200025704644 [0,3,0,0,0,0|1,0,0]=4 24528 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])F)F 7a_100000751779_200025704644 [0,3,0,0,0,0|1,0,0]=4 24529 B13R1.3255 CNc1c(cc(cc1C(=O)N)Cl)C 34a_200000101212_200000210301 [0,3,0,0,0,0|1,0,0]=4 24530 B13R1.3255 CNc1c(cc(cc1C(=O)N)Cl)C 7a_200000101212_200000210301 [0,3,0,0,0,0|1,0,0]=4 24531 B13R1.3255 COc1c(cc(cc1C(=O)C)Br)Br 1458a_100000188141_200000210301 [0,3,0,0,0,0|1,0,0]=4 24532 B13R1.3255 COc1c(cc(cc1C(=O)C)Br)Br 7a_100000212130_200000210301 [0,3,0,0,0,0|1,0,0]=4 24533 B13R1.3255 COc1c(cc(cc1C(=O)C)C)Br 7a_100011659362_200000210301 [0,3,0,0,0,0|0,0,0]=3 24534 B13R1.3255 COc1c(cc(cc1C(=O)C)C)C 34a_100000188341_200000210301 [0,3,0,0,0,0|0,0,0]=3 24535 B13R1.3255 COc1c(cc(cc1C(=O)C)C)C 7a_100000188341_200000210301 [0,3,0,0,0,0|0,0,0]=3 24536 B13R1.3255 COc1c(cc(cc1C(=O)C)C)Cl 34a_100010659243_200000210301 [0,3,0,0,0,0|0,0,0]=3 24537 B13R1.3255 COc1c(cc(cc1C(=O)C)C)Cl 7a_100010659243_200000210301 [0,3,0,0,0,0|0,0,0]=3 24538 B13R1.3255 COc1c(cc(cc1C(=O)C)Cl)Br 7a_100011218835_200000210301 [0,3,0,0,0,0|1,0,0]=4 24539 B13R1.3255 COc1c(cc(cc1C(=O)C)Cl)Cl 1458a_100000186506_200000210301 [0,3,0,0,0,0|1,0,0]=4 24540 B13R1.3255 COc1c(cc(cc1C(=O)C)Cl)Cl 7a_100000182809_200000210301 [0,3,0,0,0,0|1,0,0]=4 24541 B13R1.3255 COc1c(cc(cc1C(=O)C)F)Cl 34a_100011659368_200000210301 [0,3,0,0,0,0|1,0,0]=4 24542 B13R1.3255 COc1c(cc(cc1C(=O)C)F)Cl 7a_100011659368_200000210301 [0,3,0,0,0,0|1,0,0]=4 24543 B13R1.3255 COc1c(cc(cc1C(=O)C)F)F 1458a_100000062013_200000210301 [0,3,0,0,0,0|1,0,0]=4 24544 B13R1.3255 COc1c(cc(cc1C(=O)C)F)F 34a_100000751779_200000210301 [0,3,0,0,0,0|1,0,0]=4 24545 B13R1.3255 COc1c(cc(cc1C(=O)C)F)F 7a_100000751779_200000210301 [0,3,0,0,0,0|1,0,0]=4 24546 B13R1.3255 COc1c(cc(cc1C(=O)[13CH3])Br)Br 1458a_100000188141_200025704644 [0,3,0,0,0,0|1,0,0]=4 24547 B13R1.3255 COc1c(cc(cc1C(=O)[13CH3])Cl)Cl 1458a_100000186506_200025704644 [0,3,0,0,0,0|1,0,0]=4 24548 B13R1.3255 COc1c(cc(cc1C(=O)[13CH3])F)F 1458a_100000062013_200025704644 [0,3,0,0,0,0|1,0,0]=4 24549 B13R1.3255 Cc1cc(cc(c1N[13CH3])C(=O)N)Cl 34a_200000101212_200025704644 [0,3,0,0,0,0|1,0,0]=4 24550 B13R1.3255 Cc1cc(cc(c1N[13CH3])C(=O)N)Cl 7a_200000101212_200025704644 [0,3,0,0,0,0|1,0,0]=4 24551 B13R1.98 CNc1ccc(c(c1)S(=O)(=O)C)F 34a_100015204152_200000210301 [0,3,0,0,0,0|1,0,0]=4 24552 B13R1.98 CNc1ccc(c(c1)S(=O)(=O)C)F 7a_100015204152_200000210301 [0,3,0,0,0,0|1,0,0]=4 24553 B13R1.98 CS(=O)(=O)c1cc(ccc1Br)S[13CH3] 62a_100011102953_200025704644 [0,3,0,0,0,0|1,0,0]=4 24554 B13R1.98 CS(=O)(=O)c1cc(ccc1Br)S[13CH3] 62a_200025704644_100011102953 [0,3,0,0,0,0|1,0,0]=4 24555 B13R1.98 CS(=O)(=O)c1cc(ccc1F)N[13CH3] 34a_100015204152_200025704644 [0,3,0,0,0,0|1,0,0]=4 24556 B13R1.98 CS(=O)(=O)c1cc(ccc1F)N[13CH3] 7a_100015204152_200025704644 [0,3,0,0,0,0|1,0,0]=4 24557 B13R1.98 CS(=O)(=O)c1cc(ccc1F)S[13CH3] 62a_100010195686_200025704644 [0,3,0,0,0,0|1,0,0]=4 24558 B13R1.98 CS(=O)(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100010195686 [0,3,0,0,0,0|1,0,0]=4 24559 B13R1.98 CS(=O)(=O)c1cc(ccc1N)S[13CH3] 62a_100000692581_200025704644 [0,3,0,0,0,0|1,0,0]=4 24560 B13R1.98 CS(=O)(=O)c1cc(ccc1O)S[13CH3] 62a_200015712519_200025704644 [0,3,0,0,0,0|1,0,0]=4 24561 B13R1.98 CSc1ccc(c(c1)S(=O)(=O)C)Br 62a_100011102953_200000210301 [0,3,0,0,0,0|1,0,0]=4 24562 B13R1.98 CSc1ccc(c(c1)S(=O)(=O)C)Br 62a_200000210301_100011102953 [0,3,0,0,0,0|1,0,0]=4 24563 B13R1.98 CSc1ccc(c(c1)S(=O)(=O)C)C 62a_100009814363_200000210301 [0,3,0,0,0,0|1,0,0]=4 24564 B13R1.98 CSc1ccc(c(c1)S(=O)(=O)C)C 62a_200000210301_100009814363 [0,3,0,0,0,0|1,0,0]=4 24565 B13R1.98 CSc1ccc(c(c1)S(=O)(=O)C)F 62a_100010195686_200000210301 [0,3,0,0,0,0|1,0,0]=4 24566 B13R1.98 CSc1ccc(c(c1)S(=O)(=O)C)F 62a_200000210301_100010195686 [0,3,0,0,0,0|1,0,0]=4 24567 B13R1.98 CSc1ccc(c(c1)S(=O)(=O)C)N 62a_100000692581_200000210301 [0,3,0,0,0,0|1,0,0]=4 24568 B13R1.98 CSc1ccc(c(c1)S(=O)(=O)C)O 62a_200015712519_200000210301 [0,3,0,0,0,0|1,0,0]=4 24569 B13R1.98 Cc1ccc(cc1S(=O)(=O)C)S[13CH3] 62a_100009814363_200025704644 [0,3,0,0,0,0|1,0,0]=4 24570 B13R1.98 Cc1ccc(cc1S(=O)(=O)C)S[13CH3] 62a_200025704644_100009814363 [0,3,0,0,0,0|1,0,0]=4 24571 B13R1.3090 CNc1ccc(cc1P(=O)(C)C)C 2230a_202126155009_200000210301 [0,3,0,0,0,0|1,0,0]=4 24572 B13R1.3090 CNc1ccc(cc1P(=O)(C)C)C 34a_202126155009_200000210301 [0,3,0,0,0,0|1,0,0]=4 24573 B13R1.3090 CNc1ccc(cc1P(=O)(C)C)C 7a_202126155009_200000210301 [0,3,0,0,0,0|1,0,0]=4 24574 B13R1.3090 Cc1ccc(c(c1)P(=O)(C)C)N[13CH3] 2230a_202126155009_200025704644 [0,3,0,0,0,0|1,0,0]=4 24575 B13R1.3090 Cc1ccc(c(c1)P(=O)(C)C)N[13CH3] 34a_202126155009_200025704644 [0,3,0,0,0,0|1,0,0]=4 24576 B13R1.3090 Cc1ccc(c(c1)P(=O)(C)C)N[13CH3] 7a_202126155009_200025704644 [0,3,0,0,0,0|1,0,0]=4 24577 B13R1.345 C=C(C)c1cccc(c1)C(C)(C)C 271570a_100000694244_100009816526 [0,3,0,0,0,0|1,0,0]=4 24578 B13R1.345 C=C(C)c1cccc(c1)C(C)(C)N 271570a_100000694244_100016995529 [0,3,0,0,0,0|1,0,0]=4 24579 B13R1.345 C=C(C)c1cccc(c1)C(C)(C)O 271570a_100000694244_100011346009 [0,3,0,0,0,0|1,0,0]=4 24580 B13R1.345 C=C(C)c1cccc(c1)C(C)(F)F 271570a_100000694244_100010232180 [0,3,0,0,0,0|1,0,0]=4 24581 B13R1.345 C=C(C)c1cccc(c1)C(F)(F)F 271570a_100000694244_100000211837 [0,3,0,0,0,0|1,0,0]=4 24582 B13R1.345 C=C(C)c1cccc(c1)S(=O)(=O)C 271570a_100000694244_100009815773 [0,3,0,0,0,0|1,0,0]=4 24583 B13R1.345 C=C(C)c1cccc(c1)[Si](C)(C)C 271570a_100000694244_100009816414 [0,3,0,0,0,0|1,0,0]=4 24584 B13R1.345 CC(=O)c1cc(ccn1)C(F)(F)F 1458a_100000044454_200000210301 [0,3,0,0,0,0|1,0,0]=4 24585 B13R1.345 CC(=O)c1cccc(c1)C(C)(C)C 1458a_100000066590_200000210301 [0,3,0,0,0,0|0,0,0]=3 24586 B13R1.345 CC(=O)c1cccc(c1)C(C)(C)O 1458a_100000117378_200000210301 [0,3,0,0,0,0|0,0,0]=3 24587 B13R1.345 CC(=O)c1cccc(c1)C(F)(F)F 1458a_100000210392_200000210301 [0,3,0,0,0,0|0,0,0]=3 24588 B13R1.345 CC(=O)c1cccc(c1)S(=O)(=O)C 1458a_100000184887_200000210301 [0,3,0,0,0,0|0,0,0]=3 24589 B13R1.345 CC(=O)c1cccc(c1)S(=O)(=O)N 1458a_100000171177_200000210301 [0,3,0,0,0,0|1,0,0]=4 24590 B13R1.345 CC(=O)c1cccc(n1)C(F)(F)F 1458a_100000066873_200000210301 [0,3,0,0,0,0|1,0,0]=4 24591 B13R1.345 CC(=O)c1ccnc(c1)C(F)(F)F 1458a_100000068868_200000210301 [0,3,0,0,0,0|1,0,0]=4 24592 B13R1.345 CC(=O)c1cncc(c1)C(F)(F)F 1458a_100000068867_200000210301 [0,3,0,0,0,0|1,0,0]=4 24593 B13R1.345 CC(C)(C)c1cccc(c1)C(=O)[13CH3] 1458a_100000066590_200025704644 [0,3,0,0,0,0|0,0,0]=3 24594 B13R1.345 CC(C)(O)c1cccc(c1)C(=O)[13CH3] 1458a_100000117378_200025704644 [0,3,0,0,0,0|0,0,0]=3 24595 B13R1.345 CS(=O)(=O)c1cccc(c1)C(=O)[13CH3] 1458a_100000184887_200025704644 [0,3,0,0,0,0|0,0,0]=3 24596 B13R1.345 [13CH3]C(=O)c1cc(ccn1)C(F)(F)F 1458a_100000044454_200025704644 [0,3,0,0,0,0|1,0,0]=4 24597 B13R1.345 [13CH3]C(=O)c1cccc(c1)C(F)(F)F 1458a_100000210392_200025704644 [0,3,0,0,0,0|0,0,0]=3 24598 B13R1.345 [13CH3]C(=O)c1cccc(c1)S(=O)(=O)N 1458a_100000171177_200025704644 [0,3,0,0,0,0|1,0,0]=4 24599 B13R1.345 [13CH3]C(=O)c1cccc(n1)C(F)(F)F 1458a_100000066873_200025704644 [0,3,0,0,0,0|1,0,0]=4 24600 B13R1.345 [13CH3]C(=O)c1ccnc(c1)C(F)(F)F 1458a_100000068868_200025704644 [0,3,0,0,0,0|1,0,0]=4 24601 B13R1.345 [13CH3]C(=O)c1cncc(c1)C(F)(F)F 1458a_100000068867_200025704644 [0,3,0,0,0,0|1,0,0]=4 24602 B13R1.375 CC=Cc1cccc(c1)S(=O)(=O)C 271570a_100016259895_100009815773 [0,3,0,0,0,0|1,0,0]=4 24603 B13R1.375 CCNc1cccc(c1)S(=O)(=O)C 34a_100000209861_100000210202 [0,3,0,0,0,0|1,0,0]=4 24604 B13R1.375 CCNc1cccc(c1)S(=O)(=O)C 7a_100000209861_100000210202 [0,3,0,0,0,0|1,0,0]=4 24605 B13R1.375 CCSc1cccc(c1)S(=O)(=O)C 62a_100000210202_100009815773 [0,3,0,0,0,0|1,0,0]=4 24606 B13R1.375 CCSc1cccc(c1)S(=O)(=O)C 62a_100009815773_100000210202 [0,3,0,0,0,0|1,0,0]=4 24607 B13R1.375 CNCc1cccc(c1)S(=O)(=O)C 207a_100102657272_100000101570 [0,3,0,0,0,0|1,0,0]=4 24608 B13R1.375 CNCc1cccc(c1)S(=O)(=O)C 2230a_106832991635_100009817112 [0,3,0,0,0,0|1,0,0]=4 24609 B13R1.375 CNCc1cccc(c1)S(=O)(=O)C 270004a_106832991635_100000101570 [0,3,0,0,0,0|1,0,0]=4 24610 B13R1.375 CNCc1cccc(c1)S(=O)(=O)C 34a_100015204004_200000210301 [0,3,0,0,0,0|1,0,0]=4 24611 B13R1.375 CNCc1cccc(c1)S(=O)(=O)C 34a_100102657272_100009817112 [0,3,0,0,0,0|1,0,0]=4 24612 B13R1.375 CNCc1cccc(c1)S(=O)(=O)C 7a_106832991635_100009817112 [0,3,0,0,0,0|1,0,0]=4 24613 B13R1.375 COCc1cccc(c1)S(=O)(=O)C 34a_100012180062_200000210301 [0,3,0,0,0,0|1,0,0]=4 24614 B13R1.375 COCc1cccc(c1)S(=O)(=O)C 34a_100138415774_100009817112 [0,3,0,0,0,0|1,0,0]=4 24615 B13R1.375 COCc1cccc(c1)S(=O)(=O)C 7a_100012180062_200000210301 [0,3,0,0,0,0|1,0,0]=4 24616 B13R1.375 CS(=O)(=O)c1cccc(c1)CN[13CH3] 34a_100015204004_200025704644 [0,3,0,0,0,0|1,0,0]=4 24617 B13R1.375 CS(=O)(=O)c1cccc(c1)CO[13CH3] 34a_100012180062_200025704644 [0,3,0,0,0,0|1,0,0]=4 24618 B13R1.375 CS(=O)(=O)c1cccc(c1)CO[13CH3] 7a_100012180062_200025704644 [0,3,0,0,0,0|1,0,0]=4 24619 B13R1.375 CS(=O)(=O)c1cccc(c1)CS[13CH3] 62a_100009817112_200025704644 [0,3,0,0,0,0|1,0,0]=4 24620 B13R1.375 CS(=O)(=O)c1cccc(c1)CS[13CH3] 62a_200025704644_100009817112 [0,3,0,0,0,0|1,0,0]=4 24621 B13R1.375 CS(=O)(=O)c1cccc(c1)NCF 34a_100000209861_100015361967 [0,3,0,0,0,0|1,0,0]=4 24622 B13R1.375 CS(=O)(=O)c1cccc(c1)NCF 7a_100000209861_100015361967 [0,3,0,0,0,0|1,0,0]=4 24623 B13R1.375 CS(=O)(=O)c1cccc(c1)SCF 62a_100009815773_100015361967 [0,3,0,0,0,0|1,0,0]=4 24624 B13R1.375 CS(=O)(=O)c1cccc(c1)SCF 62a_100015361967_100009815773 [0,3,0,0,0,0|1,0,0]=4 24625 B13R1.375 CSCc1cccc(c1)S(=O)(=O)C 62a_100009817112_200000210301 [0,3,0,0,0,0|1,0,0]=4 24626 B13R1.375 CSCc1cccc(c1)S(=O)(=O)C 62a_200000210301_100009817112 [0,3,0,0,0,0|1,0,0]=4 24627 B13R1.295 C=C(C)c1c(cccc1C(=O)C)F 271570a_100000694244_100012362612 [0,3,0,0,0,0|1,0,0]=4 24628 B13R1.295 C=C(C)c1c(cccc1C(=O)N)C 271570a_100000694244_200011409216 [0,3,0,0,0,0|1,0,0]=4 24629 B13R1.295 CC(=O)c1cccc(c1[N+](=O)[O-])Br 1458a_100010232116_200000210301 [0,3,0,0,0,0|1,0,0]=4 24630 B13R1.295 CC(=O)c1cccc(c1[N+](=O)[O-])C 1458a_100000211462_200000210301 [0,3,0,0,0,0|0,0,0]=3 24631 B13R1.295 CC(=O)c1cccc(c1[N+](=O)[O-])Cl 1458a_100000766603_200000210301 [0,3,0,0,0,0|1,0,0]=4 24632 B13R1.295 CC(=O)c1cccc(c1[N+](=O)[O-])F 1458a_100000068878_200000210301 [0,3,0,0,0,0|1,0,0]=4 24633 B13R1.295 CC(=O)c1cccc(c1[N+](=O)[O-])O 1458a_100000688640_200000210301 [0,3,0,0,0,0|1,0,0]=4 24634 B13R1.295 Cc1cccc(c1[N+](=O)[O-])C(=O)[13CH3] 1458a_100000211462_200025704644 [0,3,0,0,0,0|0,0,0]=3 24635 B13R1.295 [13CH3]C(=O)c1cccc(c1[N+](=O)[O-])Br 1458a_100010232116_200025704644 [0,3,0,0,0,0|1,0,0]=4 24636 B13R1.295 [13CH3]C(=O)c1cccc(c1[N+](=O)[O-])Cl 1458a_100000766603_200025704644 [0,3,0,0,0,0|1,0,0]=4 24637 B13R1.295 [13CH3]C(=O)c1cccc(c1[N+](=O)[O-])F 1458a_100000068878_200025704644 [0,3,0,0,0,0|1,0,0]=4 24638 B13R1.295 [13CH3]C(=O)c1cccc(c1[N+](=O)[O-])O 1458a_100000688640_200025704644 [0,3,0,0,0,0|1,0,0]=4 24639 B13R1.2137 C=C(C)c1cccc(c1C#N)NC 271570a_100000694244_200012769483 [0,3,0,0,0,0|1,0,0]=4 24640 B13R1.2137 C=C(C)c1cccc(c1C#N)OC 271570a_100000694244_100012356440 [0,3,0,0,0,0|1,0,0]=4 24641 B13R1.2137 C=C(C)c1cccc(c1C=O)OC 271570a_100000694244_100009814803 [0,3,0,0,0,0|1,0,0]=4 24642 B13R1.2137 C=C(C)c1cccc(c1OC)CO 271570a_100000694244_100000704359 [0,3,0,0,0,0|1,0,0]=4 24643 B13R1.2137 C=C(C)c1cccc(c1OC)OC 271570a_100000694244_100009815961 [0,3,0,0,0,0|1,0,0]=4 24644 B13R1.2137 C=Cc1cccc(c1OC)C(=O)C 271570a_100011290941_100010725610 [0,3,0,0,0,0|0,0,1]=4 24645 B13R1.2137 CCc1c(cccc1C(=O)C)OC 1458a_100000101922_200000210301 [0,3,0,0,0,0|0,0,0]=3 24646 B13R1.2137 CCc1c(cccc1C(=O)[13CH3])OC 1458a_100000101922_200025704644 [0,3,0,0,0,0|0,0,0]=3 24647 B13R1.2137 COc1c(cccc1C(=O)C)SC 62a_100010725610_200000210301 [0,3,0,0,0,0|0,0,0]=3 24648 B13R1.2137 COc1c(cccc1C(=O)C)S[13CH3] 62a_100010725610_200025704644 [0,3,0,0,0,0|0,0,0]=3 24649 B13R1.2137 COc1c(cccc1C(=O)N)SC 62a_100010146779_200000210301 [0,3,0,0,0,0|1,0,0]=4 24650 B13R1.2137 COc1c(cccc1C(=O)N)S[13CH3] 62a_100010146779_200025704644 [0,3,0,0,0,0|1,0,0]=4 24651 B13R1.2137 COc1cccc(c1OC)C(=O)C 1458a_100000210806_200000210301 [0,3,0,0,0,0|0,0,0]=3 24652 B13R1.2137 COc1cccc(c1OC)C(=O)[13CH3] 1458a_100000210806_200025704644 [0,3,0,0,0,0|0,0,0]=3 24653 B13R1.3340 COc1c(ccc(c1C(=O)C)Cl)Cl 1458a_100000033403_200000210301 [0,3,0,0,0,0|1,0,0]=4 24654 B13R1.3340 COc1c(ccc(c1C(=O)C)F)F 1458a_100000686818_200000210301 [0,3,0,0,0,0|1,0,0]=4 24655 B13R1.3340 COc1c(ccc(c1C(=O)[13CH3])Cl)Cl 1458a_100000033403_200025704644 [0,3,0,0,0,0|1,0,0]=4 24656 B13R1.3340 COc1c(ccc(c1C(=O)[13CH3])F)F 1458a_100000686818_200025704644 [0,3,0,0,0,0|1,0,0]=4 24657 B13R1.4012 C=C(C)c1cccc(c1CC#N)C 271570a_100000694244_100010147027 [0,3,0,0,0,0|1,0,0]=4 24658 B13R1.4012 C=C=Cc1c(cccc1C(=O)C)F 271570a_100015277604_100012362612 [0,3,0,0,0,0|1,0,0]=4 24659 B13R1.4012 C=C=Cc1c(cccc1C(=O)N)C 271570a_100015277604_200011409216 [0,3,0,0,0,0|1,0,0]=4 24660 B13R1.4012 CC(=O)c1cccc(c1OCF)C 34a_100009847209_100015361967 [0,3,0,0,0,0|0,0,0]=3 24661 B13R1.4012 CC(=O)c1cccc(c1OCF)C 7a_100009847209_100015361967 [0,3,0,0,0,0|0,0,0]=3 24662 B13R1.4012 CC(=O)c1cccc(c1OCF)Cl 34a_100000043392_100015361967 [0,3,0,0,0,0|1,0,0]=4 24663 B13R1.4012 CC(=O)c1cccc(c1OCF)Cl 7a_100000043392_100015361967 [0,3,0,0,0,0|1,0,0]=4 24664 B13R1.4012 CC(=O)c1cccc(c1OCF)F 34a_100011246037_100015361967 [0,3,0,0,0,0|1,0,0]=4 24665 B13R1.4012 CC(=O)c1cccc(c1OCF)F 7a_100011246037_100015361967 [0,3,0,0,0,0|1,0,0]=4 24666 B13R1.4012 CC(=O)c1cccc(c1SCF)F 62a_100012362612_100015361967 [0,3,0,0,0,0|1,0,0]=4 24667 B13R1.4012 CC(=O)c1cccc(c1SCF)F 62a_100015361967_100012362612 [0,3,0,0,0,0|1,0,0]=4 24668 B13R1.4012 CC=Cc1c(cccc1C(=O)C)F 271570a_100016259895_100012362612 [0,3,0,0,0,0|1,0,0]=4 24669 B13R1.4012 CC=Cc1c(cccc1C(=O)N)C 271570a_100016259895_200011409216 [0,3,0,0,0,0|1,0,0]=4 24670 B13R1.4012 CCNc1c(cccc1C(=O)N)C 34a_100000223273_100000210202 [0,3,0,0,0,0|1,0,0]=4 24671 B13R1.4012 CCOc1c(cccc1C(=O)C)C 34a_100009847209_100000210202 [0,3,0,0,0,0|0,0,0]=3 24672 B13R1.4012 CCOc1c(cccc1C(=O)C)C 7a_100009847209_100000210202 [0,3,0,0,0,0|0,0,0]=3 24673 B13R1.4012 CCOc1c(cccc1C(=O)C)Cl 34a_100000043392_100000210202 [0,3,0,0,0,0|1,0,0]=4 24674 B13R1.4012 CCOc1c(cccc1C(=O)C)Cl 7a_100000043392_100000210202 [0,3,0,0,0,0|1,0,0]=4 24675 B13R1.4012 CCOc1c(cccc1C(=O)C)F 34a_100011246037_100000210202 [0,3,0,0,0,0|1,0,0]=4 24676 B13R1.4012 CCOc1c(cccc1C(=O)C)F 7a_100011246037_100000210202 [0,3,0,0,0,0|1,0,0]=4 24677 B13R1.4012 CCSc1c(cccc1C(=O)C)F 62a_100000210202_100012362612 [0,3,0,0,0,0|1,0,0]=4 24678 B13R1.4012 CCSc1c(cccc1C(=O)C)F 62a_100012362612_100000210202 [0,3,0,0,0,0|1,0,0]=4 24679 B13R1.4012 CCSc1c(cccc1C(=O)N)C 62a_100000210202_200011409216 [0,3,0,0,0,0|1,0,0]=4 24680 B13R1.4012 CCSc1c(cccc1C(=O)N)C 62a_200011409216_100000210202 [0,3,0,0,0,0|1,0,0]=4 24681 B13R1.4012 CNCc1c(cccc1C(=O)C)Br 26a_100102657272_100009815558 [0,3,0,0,0,0|1,0,0]=4 24682 B13R1.4012 Cc1cccc(c1NCF)C(=O)N 34a_100000223273_100015361967 [0,3,0,0,0,0|1,0,0]=4 24683 B13R1.4012 Cc1cccc(c1SCF)C(=O)N 62a_100015361967_200011409216 [0,3,0,0,0,0|1,0,0]=4 24684 B13R1.4012 Cc1cccc(c1SCF)C(=O)N 62a_200011409216_100015361967 [0,3,0,0,0,0|1,0,0]=4 24685 B13R1.377 C=C(C)c1cccc(c1C)CC#N 271570a_100000694244_100010147028 [0,3,0,0,0,0|1,0,0]=4 24686 B13R1.377 C=C(C)c1cccc(c1C)CCN 271570a_100000694244_100161000114 [0,3,0,0,0,0|1,0,0]=4 24687 B13R1.377 C=C(C)c1cccc(c1C)COC 271570a_100000694244_100102485947 [0,3,0,0,0,0|1,0,0]=4 24688 B13R1.377 C=C(C)c1cccc(c1F)CC#N 271570a_100000694244_100009817020 [0,3,0,0,0,0|1,0,0]=4 24689 B13R1.377 C=C(C)c1cccc(c1F)CNC 271570a_100000694244_114873767014 [0,3,0,0,0,0|1,0,0]=4 24690 B13R1.377 C=C(C)c1cccc(c1N)OCC 271570a_100000694244_200103155331 [0,3,0,0,0,0|1,0,0]=4 24691 B13R1.377 C=C=Cc1cccc(c1C)C(=O)C 271570a_100015277604_100012706834 [0,3,0,0,0,0|0,0,1]=4 24692 B13R1.377 C=C=Cc1cccc(c1F)C(=O)C 271570a_100015277604_100012355707 [0,3,0,0,0,0|0,0,1]=4 24693 B13R1.377 C=C=Cc1cccc(c1O)C(=O)C 271570a_100015277604_100009815558 [0,3,0,0,0,0|0,0,1]=4 24694 B13R1.377 CC(=O)c1cccc(c1C)OCF 34a_200009877264_100015361967 [0,3,0,0,0,0|0,0,0]=3 24695 B13R1.377 CC(=O)c1cccc(c1C)OCF 7a_200009877264_100015361967 [0,3,0,0,0,0|0,0,0]=3 24696 B13R1.377 CC(=O)c1cccc(c1C)SCF 62a_100012706834_100015361967 [0,3,0,0,0,0|0,0,0]=3 24697 B13R1.377 CC(=O)c1cccc(c1C)SCF 62a_100015361967_100012706834 [0,3,0,0,0,0|0,0,0]=3 24698 B13R1.377 CC(=O)c1cccc(c1F)OCF 34a_100009856408_100015361967 [0,3,0,0,0,0|0,0,0]=3 24699 B13R1.377 CC(=O)c1cccc(c1F)OCF 7a_100009856408_100015361967 [0,3,0,0,0,0|0,0,0]=3 24700 B13R1.377 CC(=O)c1cccc(c1F)SCF 62a_100012355707_100015361967 [0,3,0,0,0,0|0,0,0]=3 24701 B13R1.377 CC(=O)c1cccc(c1F)SCF 62a_100015361967_100012355707 [0,3,0,0,0,0|0,0,0]=3 24702 B13R1.377 CC(=O)c1cccc(c1N)OCF 7a_100000036053_100015361967 [0,3,0,0,0,0|0,0,0]=3 24703 B13R1.377 CC(=O)c1ccnc(c1N)SCF 62a_100015361967_200000063496 [0,3,0,0,0,0|1,0,0]=4 24704 B13R1.377 CC(=O)c1ccnc(c1N)SCF 62a_200000063496_100015361967 [0,3,0,0,0,0|1,0,0]=4 24705 B13R1.377 CC(=O)c1nccc(c1F)SCF 62a_100010729024_100015361967 [0,3,0,0,0,0|1,0,0]=4 24706 B13R1.377 CC(=O)c1nccc(c1F)SCF 62a_100015361967_100010729024 [0,3,0,0,0,0|1,0,0]=4 24707 B13R1.377 CC=Cc1cccc(c1C)C(=O)C 271570a_100016259895_100012706834 [0,3,0,0,0,0|0,0,0]=3 24708 B13R1.377 CC=Cc1cccc(c1C)C(=O)N 271570a_100016259895_200012298201 [0,3,0,0,0,0|1,0,0]=4 24709 B13R1.377 CC=Cc1cccc(c1F)C(=O)C 271570a_100016259895_100012355707 [0,3,0,0,0,0|0,0,0]=3 24710 B13R1.377 CC=Cc1cccc(c1F)C(=O)N 271570a_100016259895_100012351131 [0,3,0,0,0,0|1,0,0]=4 24711 B13R1.377 CC=Cc1cccc(c1N)C(=O)N 271570a_100016259895_100010144993 [0,3,0,0,0,0|1,0,0]=4 24712 B13R1.377 CC=Cc1cccc(c1O)C(=O)C 271570a_100016259895_100009815558 [0,3,0,0,0,0|0,0,0]=3 24713 B13R1.377 CC=Cc1ccnc(c1F)C(=O)C 271570a_100016259895_100010729024 [0,3,0,0,0,0|1,0,0]=4 24714 B13R1.377 CC=Cc1nccc(c1N)C(=O)C 271570a_100016259895_200000063496 [0,3,0,0,0,0|1,0,0]=4 24715 B13R1.377 CCNc1cccc(c1C)C(=O)N 34a_100000738810_100000210202 [0,3,0,0,0,0|1,0,0]=4 24716 B13R1.377 CCNc1cccc(c1C)C(=O)N 7a_100000738810_100000210202 [0,3,0,0,0,0|1,0,0]=4 24717 B13R1.377 CCNc1cccc(c1F)C(=O)N 34a_100014075672_100000210202 [0,3,0,0,0,0|1,0,0]=4 24718 B13R1.377 CCOc1cccc(c1C)C(=O)C 34a_200009877264_100000210202 [0,3,0,0,0,0|0,0,0]=3 24719 B13R1.377 CCOc1cccc(c1C)C(=O)C 7a_200009877264_100000210202 [0,3,0,0,0,0|0,0,0]=3 24720 B13R1.377 CCOc1cccc(c1F)C(=O)C 1458a_100000100213_200000210301 [0,3,0,0,0,0|0,0,0]=3 24721 B13R1.377 CCOc1cccc(c1F)C(=O)C 34a_100009856408_100000210202 [0,3,0,0,0,0|0,0,0]=3 24722 B13R1.377 CCOc1cccc(c1F)C(=O)C 7a_100009856408_100000210202 [0,3,0,0,0,0|0,0,0]=3 24723 B13R1.377 CCOc1cccc(c1F)C(=O)N 34a_100009841371_100000210202 [0,3,0,0,0,0|1,0,0]=4 24724 B13R1.377 CCOc1cccc(c1F)C(=O)N 7a_100009841371_100000210202 [0,3,0,0,0,0|1,0,0]=4 24725 B13R1.377 CCOc1cccc(c1F)C(=O)[13CH3] 1458a_100000100213_200025704644 [0,3,0,0,0,0|0,0,0]=3 24726 B13R1.377 CCOc1cccc(c1N)C(=O)C 7a_100000036053_100000210202 [0,3,0,0,0,0|0,0,0]=3 24727 B13R1.377 CCSc1cccc(c1C)C(=O)C 62a_100000210202_100012706834 [0,3,0,0,0,0|0,0,0]=3 24728 B13R1.377 CCSc1cccc(c1C)C(=O)C 62a_100012706834_100000210202 [0,3,0,0,0,0|0,0,0]=3 24729 B13R1.377 CCSc1cccc(c1C)C(=O)N 62a_100000210202_200012298201 [0,3,0,0,0,0|1,0,0]=4 24730 B13R1.377 CCSc1cccc(c1C)C(=O)N 62a_200012298201_100000210202 [0,3,0,0,0,0|1,0,0]=4 24731 B13R1.377 CCSc1cccc(c1F)C(=O)C 62a_100000210202_100012355707 [0,3,0,0,0,0|0,0,0]=3 24732 B13R1.377 CCSc1cccc(c1F)C(=O)C 62a_100012355707_100000210202 [0,3,0,0,0,0|0,0,0]=3 24733 B13R1.377 CCSc1cccc(c1F)C(=O)N 62a_100000210202_100012351131 [0,3,0,0,0,0|1,0,0]=4 24734 B13R1.377 CCSc1cccc(c1F)C(=O)N 62a_100012351131_100000210202 [0,3,0,0,0,0|1,0,0]=4 24735 B13R1.377 CCSc1cccc(c1N)C(=O)N 62a_100010144993_100000210202 [0,3,0,0,0,0|1,0,0]=4 24736 B13R1.377 CCSc1ccnc(c1F)C(=O)C 62a_100000210202_100010729024 [0,3,0,0,0,0|1,0,0]=4 24737 B13R1.377 CCSc1ccnc(c1F)C(=O)C 62a_100010729024_100000210202 [0,3,0,0,0,0|1,0,0]=4 24738 B13R1.377 CCSc1nccc(c1N)C(=O)C 62a_100000210202_200000063496 [0,3,0,0,0,0|1,0,0]=4 24739 B13R1.377 CCSc1nccc(c1N)C(=O)C 62a_200000063496_100000210202 [0,3,0,0,0,0|1,0,0]=4 24740 B13R1.377 Cc1c(cccc1C(=O)N)NCF 34a_100000738810_100015361967 [0,3,0,0,0,0|1,0,0]=4 24741 B13R1.377 Cc1c(cccc1C(=O)N)NCF 7a_100000738810_100015361967 [0,3,0,0,0,0|1,0,0]=4 24742 B13R1.377 Cc1c(cccc1C(=O)N)SCF 62a_100015361967_200012298201 [0,3,0,0,0,0|1,0,0]=4 24743 B13R1.377 Cc1c(cccc1C(=O)N)SCF 62a_200012298201_100015361967 [0,3,0,0,0,0|1,0,0]=4 24744 B13R1.377 NC(=O)c1cccc(c1F)NCF 34a_100014075672_100015361967 [0,3,0,0,0,0|1,0,0]=4 24745 B13R1.377 NC(=O)c1cccc(c1F)OCF 34a_100009841371_100015361967 [0,3,0,0,0,0|1,0,0]=4 24746 B13R1.377 NC(=O)c1cccc(c1F)OCF 7a_100009841371_100015361967 [0,3,0,0,0,0|1,0,0]=4 24747 B13R1.377 NC(=O)c1cccc(c1F)SCF 62a_100012351131_100015361967 [0,3,0,0,0,0|1,0,0]=4 24748 B13R1.377 NC(=O)c1cccc(c1F)SCF 62a_100015361967_100012351131 [0,3,0,0,0,0|1,0,0]=4 24749 B13R1.377 NC(=O)c1cccc(c1N)SCF 62a_100010144993_100015361967 [0,3,0,0,0,0|1,0,0]=4 24750 B13R1.3097 C=C(C)c1c(ccc(c1C)OC)C 271570a_100000694244_100016151084 [0,3,0,0,0,0|1,0,0]=4 24751 B13R1.3097 C=C(C)c1c(ccc(c1F)OC)F 271570a_100000694244_100010946477 [0,3,0,0,0,0|1,0,0]=4 24752 B13R1.3097 COc1ccc(c(c1Br)C(=O)C)Br 1458a_200020932704_200000210301 [0,3,0,0,0,0|0,0,0]=3 24753 B13R1.3097 COc1ccc(c(c1Br)C(=O)[13CH3])Br 1458a_200020932704_200025704644 [0,3,0,0,0,0|0,0,0]=3 24754 B13R1.3097 COc1ccc(c(c1C)C(=O)C)Br 1458a_100010074600_200000210301 [0,3,0,0,0,0|0,0,0]=3 24755 B13R1.3097 COc1ccc(c(c1C)C(=O)[13CH3])Br 1458a_100010074600_200025704644 [0,3,0,0,0,0|0,0,0]=3 24756 B13R1.3097 COc1ccc(c(c1Cl)C(=O)C)Cl 1458a_200010760820_200000210301 [0,3,0,0,0,0|0,0,0]=3 24757 B13R1.3097 COc1ccc(c(c1Cl)C(=O)C)F 1458a_100000062076_200000210301 [0,3,0,0,0,0|0,0,0]=3 24758 B13R1.3097 COc1ccc(c(c1Cl)C(=O)[13CH3])Cl 1458a_200010760820_200025704644 [0,3,0,0,0,0|0,0,0]=3 24759 B13R1.3097 COc1ccc(c(c1Cl)C(=O)[13CH3])F 1458a_100000062076_200025704644 [0,3,0,0,0,0|0,0,0]=3 24760 B13R1.3097 COc1ccc(c(c1F)C(=O)C)Br 1458a_100010204293_200000210301 [0,3,0,0,0,0|0,0,0]=3 24761 B13R1.3097 COc1ccc(c(c1F)C(=O)C)Cl 1458a_100000062078_200000210301 [0,3,0,0,0,0|0,0,0]=3 24762 B13R1.3097 COc1ccc(c(c1F)C(=O)C)F 1458a_100000062053_200000210301 [0,3,0,0,0,0|0,0,0]=3 24763 B13R1.3097 COc1ccc(c(c1F)C(=O)N)F 34a_100009825046_200000210301 [0,3,0,0,0,0|1,0,0]=4 24764 B13R1.3097 COc1ccc(c(c1F)C(=O)N)F 7a_100009825046_200000210301 [0,3,0,0,0,0|1,0,0]=4 24765 B13R1.3097 COc1ccc(c(c1F)C(=O)[13CH3])Br 1458a_100010204293_200025704644 [0,3,0,0,0,0|0,0,0]=3 24766 B13R1.3097 COc1ccc(c(c1F)C(=O)[13CH3])Cl 1458a_100000062078_200025704644 [0,3,0,0,0,0|0,0,0]=3 24767 B13R1.3097 COc1ccc(c(c1F)C(=O)[13CH3])F 1458a_100000062053_200025704644 [0,3,0,0,0,0|0,0,0]=3 24768 B13R1.3097 [13CH3]Oc1ccc(c(c1F)C(=O)N)F 34a_100009825046_200025704644 [0,3,0,0,0,0|1,0,0]=4 24769 B13R1.3097 [13CH3]Oc1ccc(c(c1F)C(=O)N)F 7a_100009825046_200025704644 [0,3,0,0,0,0|1,0,0]=4 24770 B13R1.3801 C=C(C)c1cccc(c1C)C(=O)C 271570a_100000694244_100012706834 [0,3,0,0,0,0|0,0,0]=3 24771 B13R1.3801 C=C(C)c1cccc(c1C)C(=O)N 271570a_100000694244_200012298201 [0,3,0,0,0,0|1,0,0]=4 24772 B13R1.3801 C=C(C)c1cccc(c1F)C(=O)C 271570a_100000694244_100012355707 [0,3,0,0,0,0|0,0,0]=3 24773 B13R1.3801 C=C(C)c1cccc(c1F)C(=O)N 271570a_100000694244_100012351131 [0,3,0,0,0,0|1,0,0]=4 24774 B13R1.3801 C=C(C)c1cccc(c1F)C(C)O 271570a_100000694244_200012356376 [0,3,0,0,0,0|1,0,0]=4 24775 B13R1.3801 C=C(C)c1cccc(c1F)C(F)F 271570a_100000694244_100010189892 [0,3,0,0,0,0|1,0,0]=4 24776 B13R1.3801 C=C(C)c1cccc(c1N)C(=O)N 271570a_100000694244_100010144993 [0,3,0,0,0,0|1,0,0]=4 24777 B13R1.3801 C=C(C)c1cccc(c1N)C(C)C 271570a_100000694244_100010571509 [0,3,0,0,0,0|1,0,0]=4 24778 B13R1.3801 C=C(C)c1cccc(c1O)C(=O)C 271570a_100000694244_100009815558 [0,3,0,0,0,0|0,0,0]=3 24779 B13R1.3801 C=C(C)c1ccnc(c1F)C(=O)C 271570a_100000694244_100010729024 [0,3,0,0,0,0|1,0,0]=4 24780 B13R1.3801 C=C(C)c1nccc(c1N)C(=O)C 271570a_100000694244_200000063496 [0,3,0,0,0,0|1,0,0]=4 24781 B13R1.3801 CC(=O)c1cccc(c1Br)[N+](=O)[O-] 1458a_100000685994_200000210301 [0,3,0,0,0,0|1,0,0]=4 24782 B13R1.3801 CC(=O)c1cccc(c1C)[N+](=O)[O-] 1458a_100000211150_200000210301 [0,3,0,0,0,0|1,0,0]=4 24783 B13R1.3801 CC(=O)c1cccc(c1Cl)[N+](=O)[O-] 1458a_100000743002_200000210301 [0,3,0,0,0,0|1,0,0]=4 24784 B13R1.3801 CC(=O)c1cccc(c1I)[N+](=O)[O-] 1458a_100000041022_200000210301 [0,3,0,0,0,0|1,0,0]=4 24785 B13R1.3801 CC(=O)c1cccc(c1O)C(C)C 1458a_200011217578_200000210301 [0,3,0,0,0,0|0,0,0]=3 24786 B13R1.3801 CC(=O)c1cccc(c1O)[N+](=O)[O-] 1458a_100000766605_200000210301 [0,3,0,0,0,0|1,0,0]=4 24787 B13R1.3801 CC(=O)c1cccn(c1=O)C(F)F 1458a_100025706715_200000210301 [0,3,0,0,0,0|1,0,0]=4 24788 B13R1.3801 CC(C)c1cccc(c1O)C(=O)[13CH3] 1458a_200011217578_200025704644 [0,3,0,0,0,0|0,0,0]=3 24789 B13R1.3801 Cc1c(cccc1[N+](=O)[O-])C(=O)[13CH3] 1458a_100000211150_200025704644 [0,3,0,0,0,0|1,0,0]=4 24790 B13R1.3801 [13CH3]C(=O)c1cccc(c1Br)[N+](=O)[O-] 1458a_100000685994_200025704644 [0,3,0,0,0,0|1,0,0]=4 24791 B13R1.3801 [13CH3]C(=O)c1cccc(c1Cl)[N+](=O)[O-] 1458a_100000743002_200025704644 [0,3,0,0,0,0|1,0,0]=4 24792 B13R1.3801 [13CH3]C(=O)c1cccc(c1I)[N+](=O)[O-] 1458a_100000041022_200025704644 [0,3,0,0,0,0|1,0,0]=4 24793 B13R1.3801 [13CH3]C(=O)c1cccc(c1O)[N+](=O)[O-] 1458a_100000766605_200025704644 [0,3,0,0,0,0|1,0,0]=4 24794 B13R1.3801 [13CH3]C(=O)c1cccn(c1=O)C(F)F 1458a_100025706715_200025704644 [0,3,0,0,0,0|1,0,0]=4 24795 B13R1.2279 COc1ccc(c(c1C(=O)C)C)Br 1458a_200010273786_200000210301 [0,3,0,0,0,0|1,0,0]=4 24796 B13R1.2279 COc1ccc(c(c1C(=O)C)F)Br 1458a_100010782282_200000210301 [0,3,0,0,0,0|1,0,0]=4 24797 B13R1.2279 COc1ccc(c(c1C(=O)C)F)F 1458a_100000062122_200000210301 [0,3,0,0,0,0|1,0,0]=4 24798 B13R1.2279 COc1ccc(c(c1C(=O)[13CH3])C)Br 1458a_200010273786_200025704644 [0,3,0,0,0,0|1,0,0]=4 24799 B13R1.2279 COc1ccc(c(c1C(=O)[13CH3])F)Br 1458a_100010782282_200025704644 [0,3,0,0,0,0|1,0,0]=4 24800 B13R1.2279 COc1ccc(c(c1C(=O)[13CH3])F)F 1458a_100000062122_200025704644 [0,3,0,0,0,0|1,0,0]=4 24801 B13R1.141 C=C(C)c1cc(ccc1OCC)C 271570a_100000694244_200000230997 [0,3,0,0,0,0|1,0,0]=4 24802 B13R1.141 C=C=Cc1ccc(cc1C(=O)C)Br 271570a_100015277604_100012349576 [0,3,0,0,0,0|1,0,0]=4 24803 B13R1.141 C=C=Cc1ccc(cc1C(=O)C)C 271570a_100015277604_100012361225 [0,3,0,0,0,0|0,0,0]=3 24804 B13R1.141 C=C=Cc1ccc(cc1C(=O)C)F 271570a_100015277604_100012353695 [0,3,0,0,0,0|1,0,0]=4 24805 B13R1.141 C=C=Cc1ccc(cc1C(=O)C)N 271570a_100015277604_100012349454 [0,3,0,0,0,0|1,0,0]=4 24806 B13R1.141 C=C=Cc1ccc(cc1C(=O)N)C 271570a_100015277604_200012349609 [0,3,0,0,0,0|1,0,0]=4 24807 B13R1.141 CC(=O)c1cc(ccc1N=[N+]=[N-])Cl 1458a_100009849217_200000210301 [0,3,0,0,0,0|1,0,0]=4 24808 B13R1.141 CC(=O)c1cc(ccc1OCF)Br 34a_100000212127_100015361967 [0,3,0,0,0,0|1,0,0]=4 24809 B13R1.141 CC(=O)c1cc(ccc1OCF)Br 7a_100000212127_100015361967 [0,3,0,0,0,0|1,0,0]=4 24810 B13R1.141 CC(=O)c1cc(ccc1OCF)C 34a_100000195442_100015361967 [0,3,0,0,0,0|0,0,0]=3 24811 B13R1.141 CC(=O)c1cc(ccc1OCF)C 7a_100000195442_100015361967 [0,3,0,0,0,0|0,0,0]=3 24812 B13R1.141 CC(=O)c1cc(ccc1OCF)Cl 34a_100000185566_100015361967 [0,3,0,0,0,0|1,0,0]=4 24813 B13R1.141 CC(=O)c1cc(ccc1OCF)Cl 7a_100000185566_100015361967 [0,3,0,0,0,0|1,0,0]=4 24814 B13R1.141 CC(=O)c1cc(ccc1OCF)F 7a_100000182812_100015361967 [0,3,0,0,0,0|1,0,0]=4 24815 B13R1.141 CC(=O)c1cc(ccc1OCF)I 7a_100010712555_100015361967 [0,3,0,0,0,0|1,0,0]=4 24816 B13R1.141 CC(=O)c1cc(ccc1OCF)N 34a_100011218865_100015361967 [0,3,0,0,0,0|1,0,0]=4 24817 B13R1.141 CC(=O)c1cc(ccc1SCF)Br 62a_100012349576_100015361967 [0,3,0,0,0,0|1,0,0]=4 24818 B13R1.141 CC(=O)c1cc(ccc1SCF)C 62a_100012361225_100015361967 [0,3,0,0,0,0|0,0,0]=3 24819 B13R1.141 CC(=O)c1cc(ccc1SCF)C 62a_100015361967_100012361225 [0,3,0,0,0,0|0,0,0]=3 24820 B13R1.141 CC(=O)c1cc(ccc1SCF)F 62a_100012353695_100015361967 [0,3,0,0,0,0|1,0,0]=4 24821 B13R1.141 CC(=O)c1cc(ccc1SCF)F 62a_100015361967_100010200798 [0,3,0,0,0,0|1,0,0]=4 24822 B13R1.141 CC(=O)c1cc(ccc1SCF)N 62a_100012349454_100015361967 [0,3,0,0,0,0|1,0,0]=4 24823 B13R1.141 CC=Cc1ccc(cc1C(=O)C)Br 271570a_100016259895_100012349576 [0,3,0,0,0,0|1,0,0]=4 24824 B13R1.141 CC=Cc1ccc(cc1C(=O)C)C 271570a_100016259895_100012361225 [0,3,0,0,0,0|0,0,0]=3 24825 B13R1.141 CC=Cc1ccc(cc1C(=O)C)F 271570a_100016259895_100012353695 [0,3,0,0,0,0|1,0,0]=4 24826 B13R1.141 CC=Cc1ccc(cc1C(=O)C)N 271570a_100016259895_100012349454 [0,3,0,0,0,0|1,0,0]=4 24827 B13R1.141 CC=Cc1ccc(cc1C(=O)N)C 271570a_100016259895_200012349609 [0,3,0,0,0,0|1,0,0]=4 24828 B13R1.141 CCNc1ccc(cc1C(=O)N)C 34a_100011692829_100000210202 [0,3,0,0,0,0|1,0,0]=4 24829 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 1458a_200000215690_200000210301 [0,3,0,0,0,0|1,0,0]=4 24830 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 34a_100000212127_100000210202 [0,3,0,0,0,0|1,0,0]=4 24831 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 7a_100000212127_100000210202 [0,3,0,0,0,0|1,0,0]=4 24832 B13R1.141 CCOc1ccc(cc1C(=O)C)C 34a_100000195442_100000210202 [0,3,0,0,0,0|0,0,0]=3 24833 B13R1.141 CCOc1ccc(cc1C(=O)C)C 7a_100000195442_100000210202 [0,3,0,0,0,0|0,0,0]=3 24834 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 1458a_200000215692_200000210301 [0,3,0,0,0,0|1,0,0]=4 24835 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 34a_100000185566_100000210202 [0,3,0,0,0,0|1,0,0]=4 24836 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 7a_100000185566_100000210202 [0,3,0,0,0,0|1,0,0]=4 24837 B13R1.141 CCOc1ccc(cc1C(=O)C)F 7a_100000182812_100000210202 [0,3,0,0,0,0|1,0,0]=4 24838 B13R1.141 CCOc1ccc(cc1C(=O)C)I 7a_100010712555_100000210202 [0,3,0,0,0,0|1,0,0]=4 24839 B13R1.141 CCOc1ccc(cc1C(=O)C)N 34a_100011218865_100000210202 [0,3,0,0,0,0|1,0,0]=4 24840 B13R1.141 CCOc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173016 [0,3,0,0,0,0|1,0,0]=4 24841 B13R1.141 CCOc1ccc(cc1C(=O)N)C 34a_200000192840_100000210202 [0,3,0,0,0,0|1,0,0]=4 24842 B13R1.141 CCOc1ccc(cc1C(=O)N)C 7a_200000192840_100000210202 [0,3,0,0,0,0|1,0,0]=4 24843 B13R1.141 CCOc1ccc(cc1C(=O)[13CH3])Br 1458a_200000215690_200025704644 [0,3,0,0,0,0|1,0,0]=4 24844 B13R1.141 CCOc1ccc(cc1C(=O)[13CH3])Cl 1458a_200000215692_200025704644 [0,3,0,0,0,0|1,0,0]=4 24845 B13R1.141 CCSc1ccc(cc1C(=O)C)Br 62a_100012349576_100000210202 [0,3,0,0,0,0|1,0,0]=4 24846 B13R1.141 CCSc1ccc(cc1C(=O)C)C 62a_100000210202_100012361225 [0,3,0,0,0,0|0,0,0]=3 24847 B13R1.141 CCSc1ccc(cc1C(=O)C)C 62a_100012361225_100000210202 [0,3,0,0,0,0|0,0,0]=3 24848 B13R1.141 CCSc1ccc(cc1C(=O)C)F 62a_100000210202_100010200798 [0,3,0,0,0,0|1,0,0]=4 24849 B13R1.141 CCSc1ccc(cc1C(=O)C)F 62a_100012353695_100000210202 [0,3,0,0,0,0|1,0,0]=4 24850 B13R1.141 CCSc1ccc(cc1C(=O)C)N 62a_100012349454_100000210202 [0,3,0,0,0,0|1,0,0]=4 24851 B13R1.141 CCSc1ccc(cc1C(=O)N)C 62a_100000210202_200012349609 [0,3,0,0,0,0|1,0,0]=4 24852 B13R1.141 CCSc1ccc(cc1C(=O)N)C 62a_200012349609_100000210202 [0,3,0,0,0,0|1,0,0]=4 24853 B13R1.141 CNCc1ccc(cc1C(=O)C)Br 26a_100102657272_100000212127 [0,3,0,0,0,0|1,0,0]=4 24854 B13R1.141 Cc1ccc(c(c1)C(=O)N)NCF 34a_100011692829_100015361967 [0,3,0,0,0,0|1,0,0]=4 24855 B13R1.141 Cc1ccc(c(c1)C(=O)N)OCF 34a_200000192840_100015361967 [0,3,0,0,0,0|1,0,0]=4 24856 B13R1.141 Cc1ccc(c(c1)C(=O)N)OCF 7a_200000192840_100015361967 [0,3,0,0,0,0|1,0,0]=4 24857 B13R1.141 Cc1ccc(c(c1)C(=O)N)SCF 62a_100015361967_200012349609 [0,3,0,0,0,0|1,0,0]=4 24858 B13R1.141 Cc1ccc(c(c1)C(=O)N)SCF 62a_200012349609_100015361967 [0,3,0,0,0,0|1,0,0]=4 24859 B13R1.141 [13CH3]C(=O)c1cc(ccc1N=[N+]=[N-])Cl 1458a_100009849217_200025704644 [0,3,0,0,0,0|1,0,0]=4 24860 B13R1.165 C=C(C)c1cc(ccc1B(O)O)C 271570a_100000694244_200011068827 [0,3,0,0,0,0|1,0,0]=4 24861 B13R1.165 C=C(C)c1cc(ccc1C(=O)C)C 271570a_100000694244_100012353930 [0,3,0,0,0,0|1,0,0]=4 24862 B13R1.165 C=C(C)c1cc(ccc1N(C)C)C 271570a_100000694244_100012353700 [0,3,0,0,0,0|1,0,0]=4 24863 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)Br 271570a_100000694244_100012349576 [0,3,0,0,0,0|1,0,0]=4 24864 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)C 271570a_100000694244_100012361225 [0,3,0,0,0,0|0,0,0]=3 24865 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)F 271570a_100000694244_100012353695 [0,3,0,0,0,0|1,0,0]=4 24866 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)N 271570a_100000694244_100012349454 [0,3,0,0,0,0|1,0,0]=4 24867 B13R1.165 C=C(C)c1ccc(cc1C(=O)N)C 271570a_100000694244_200012349609 [0,3,0,0,0,0|1,0,0]=4 24868 B13R1.165 CC(=O)c1cc(ccc1C(C)C)C 1458a_200012176289_200000210301 [0,3,0,0,0,0|0,0,0]=3 24869 B13R1.165 CC(=O)c1cc(ccc1C(F)F)F 1458a_100116214828_200000210301 [0,3,0,0,0,0|1,0,0]=4 24870 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])Br 1458a_100009992657_200000210301 [0,3,0,0,0,0|1,0,0]=4 24871 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])C 1458a_100000763269_200000210301 [0,3,0,0,0,0|0,0,0]=3 24872 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])Cl 1458a_100000210914_200000210301 [0,3,0,0,0,0|1,0,0]=4 24873 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])I 1458a_100010186413_200000210301 [0,3,0,0,0,0|1,0,0]=4 24874 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])O 1458a_100000692585_200000210301 [0,3,0,0,0,0|1,0,0]=4 24875 B13R1.165 Cc1ccc(c(c1)C(=O)[13CH3])C(C)C 1458a_200012176289_200025704644 [0,3,0,0,0,0|0,0,0]=3 24876 B13R1.165 Cc1ccc(c(c1)C(=O)[13CH3])[N+](=O)[O-] 1458a_100000763269_200025704644 [0,3,0,0,0,0|0,0,0]=3 24877 B13R1.165 [13CH3]C(=O)c1cc(ccc1C(F)F)F 1458a_100116214828_200025704644 [0,3,0,0,0,0|1,0,0]=4 24878 B13R1.165 [13CH3]C(=O)c1cc(ccc1[N+](=O)[O-])Br 1458a_100009992657_200025704644 [0,3,0,0,0,0|1,0,0]=4 24879 B13R1.165 [13CH3]C(=O)c1cc(ccc1[N+](=O)[O-])Cl 1458a_100000210914_200025704644 [0,3,0,0,0,0|1,0,0]=4 24880 B13R1.165 [13CH3]C(=O)c1cc(ccc1[N+](=O)[O-])I 1458a_100010186413_200025704644 [0,3,0,0,0,0|1,0,0]=4 24881 B13R1.165 [13CH3]C(=O)c1cc(ccc1[N+](=O)[O-])O 1458a_100000692585_200025704644 [0,3,0,0,0,0|1,0,0]=4 24882 B13R1.2430 C=C(C)c1cc(ccc1C#N)CC 271570a_100000694244_100010295696 [0,3,0,0,0,0|1,0,0]=4 24883 B13R1.2430 C=C(C)c1cc(ccc1C#N)CO 271570a_100000694244_100009876504 [0,3,0,0,0,0|1,0,0]=4 24884 B13R1.2430 C=C(C)c1cc(ccc1C#N)OC 271570a_100000694244_100012355471 [0,3,0,0,0,0|1,0,0]=4 24885 B13R1.2430 C=C(C)c1cc(ccc1C=O)OC 271570a_100000694244_100000723261 [0,3,0,0,0,0|1,0,0]=4 24886 B13R1.2430 C=C(C)c1cc(ccc1CO)CO 271570a_100000694244_100010881536 [0,3,0,0,0,0|1,0,0]=4 24887 B13R1.2430 C=C(C)c1cc(ccc1CO)OC 271570a_100000694244_100011982768 [0,3,0,0,0,0|1,0,0]=4 24888 B13R1.2430 C=C(C)c1cc(ccc1OC)CC 271570a_100000694244_100010062400 [0,3,0,0,0,0|1,0,0]=4 24889 B13R1.2430 C=C(C)c1cc(ccc1OC)CN 271570a_100000694244_100159240714 [0,3,0,0,0,0|1,0,0]=4 24890 B13R1.2430 C=C(C)c1cc(ccc1OC)CO 271570a_100000694244_100000246451 [0,3,0,0,0,0|1,0,0]=4 24891 B13R1.2430 C=C(C)c1cc(ccc1OC)NC 271570a_100000694244_114948341033 [0,3,0,0,0,0|1,0,0]=4 24892 B13R1.2430 C=C(C)c1cc(ccc1OC)OC 271570a_100000694244_100011215452 [0,3,0,0,0,0|1,0,0]=4 24893 B13R1.2430 C=Cc1ccc(c(c1)C(=O)C)OC 271570a_100011290941_100000173343 [0,3,0,0,0,0|0,0,1]=4 24894 B13R1.2430 C=Cc1ccc(cc1C(=O)C)OC 271570a_100011290941_100011360761 [0,3,0,0,0,0|0,0,0]=3 24895 B13R1.2430 C=Cc1ccc(cc1C(=O)N)OC 271570a_100011290941_100000162014 [0,3,0,0,0,0|1,0,0]=4 24896 B13R1.2430 CC(=O)c1cc(ccc1O[13CH3])C#N 34a_100000074817_200025704644 [0,3,0,0,0,0|0,0,1]=4 24897 B13R1.2430 CC(=O)c1cc(ccc1O[13CH3])C#N 7a_100000074817_200025704644 [0,3,0,0,0,0|0,0,1]=4 24898 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 34a_100000230022_200000210301 [0,3,0,0,0,0|0,0,0]=3 24899 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 7a_100000230022_200000210301 [0,3,0,0,0,0|0,0,0]=3 24900 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000230022_200025704644 [0,3,0,0,0,0|0,0,0]=3 24901 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000230022_200025704644 [0,3,0,0,0,0|0,0,0]=3 24902 B13R1.2430 CCc1ccc(c(c1)C(=O)N)NC 34a_100014932089_200000210301 [0,3,0,0,0,0|1,0,0]=4 24903 B13R1.2430 CCc1ccc(c(c1)C(=O)N)NC 7a_100014932089_200000210301 [0,3,0,0,0,0|1,0,0]=4 24904 B13R1.2430 CCc1ccc(c(c1)C(=O)N)N[13CH3] 34a_100014932089_200025704644 [0,3,0,0,0,0|1,0,0]=4 24905 B13R1.2430 CCc1ccc(c(c1)C(=O)N)N[13CH3] 7a_100014932089_200025704644 [0,3,0,0,0,0|1,0,0]=4 24906 B13R1.2430 CNc1ccc(c(c1)C(=O)N)OC 34a_200011413973_200000210301 [0,3,0,0,0,0|1,0,0]=4 24907 B13R1.2430 CNc1ccc(c(c1)C(=O)N)OC 7a_200011413973_200000210301 [0,3,0,0,0,0|1,0,0]=4 24908 B13R1.2430 CNc1ccc(cc1C(=O)N)OC 34a_100011380456_200000210301 [0,3,0,0,0,0|1,0,0]=4 24909 B13R1.2430 CNc1ccc(cc1C(=O)N)SC 62a_200010114593_200000210301 [0,3,0,0,0,0|1,0,0]=4 24910 B13R1.2430 CNc1ccc(cc1C(=O)N)S[13CH3] 62a_200010114593_200025704644 [0,3,0,0,0,0|1,0,0]=4 24911 B13R1.2430 COc1ccc(c(c1)C(=O)C)C#N 1458a_100011219403_200000210301 [0,3,0,0,0,0|0,0,0]=3 24912 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 1458a_100000185243_200000210301 [0,3,0,0,0,0|0,0,0]=3 24913 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000081070_200000210301 [0,3,0,0,0,0|0,0,0]=3 24914 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000211518_200000210301 [0,3,0,0,0,0|0,0,0]=3 24915 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000081070_200000210301 [0,3,0,0,0,0|0,0,0]=3 24916 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000211518_200000210301 [0,3,0,0,0,0|0,0,0]=3 24917 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000211518_200025704644 [0,3,0,0,0,0|0,0,0]=3 24918 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000211518_200025704644 [0,3,0,0,0,0|0,0,0]=3 24919 B13R1.2430 COc1ccc(c(c1)C(=O)C)SC 62a_100011360761_200000210301 [0,3,0,0,0,0|0,0,0]=3 24920 B13R1.2430 COc1ccc(c(c1)C(=O)C)S[13CH3] 62a_100011360761_200025704644 [0,3,0,0,0,0|0,0,0]=3 24921 B13R1.2430 COc1ccc(c(c1)C(=O)N)N[13CH3] 34a_100011380456_200025704644 [0,3,0,0,0,0|1,0,0]=4 24922 B13R1.2430 COc1ccc(c(c1)C(=O)N)SC 62a_100000162014_200000210301 [0,3,0,0,0,0|1,0,0]=4 24923 B13R1.2430 COc1ccc(c(c1)C(=O)N)S[13CH3] 62a_100000162014_200025704644 [0,3,0,0,0,0|1,0,0]=4 24924 B13R1.2430 COc1ccc(c(c1)C(=O)[13CH3])C#N 1458a_100011219403_200025704644 [0,3,0,0,0,0|0,0,0]=3 24925 B13R1.2430 COc1ccc(c(c1)C(=O)[13CH3])OC 1458a_100000185243_200025704644 [0,3,0,0,0,0|0,0,0]=3 24926 B13R1.2430 COc1ccc(cc1C(=O)C)C#N 1458a_100009859923_200000210301 [0,3,0,0,0,0|0,0,1]=4 24927 B13R1.2430 COc1ccc(cc1C(=O)C)C#N 34a_100000074817_200000210301 [0,3,0,0,0,0|0,0,1]=4 24928 B13R1.2430 COc1ccc(cc1C(=O)C)C#N 7a_100000074817_200000210301 [0,3,0,0,0,0|0,0,1]=4 24929 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 34a_100000081070_200025704644 [0,3,0,0,0,0|0,0,0]=3 24930 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 7a_100000081070_200025704644 [0,3,0,0,0,0|0,0,0]=3 24931 B13R1.2430 COc1ccc(cc1C(=O)C)SC 62a_100000173343_200000210301 [0,3,0,0,0,0|0,0,0]=3 24932 B13R1.2430 COc1ccc(cc1C(=O)C)S[13CH3] 62a_100000173343_200025704644 [0,3,0,0,0,0|0,0,0]=3 24933 B13R1.2430 COc1ccc(cc1C(=O)N)N[13CH3] 34a_200011413973_200025704644 [0,3,0,0,0,0|1,0,0]=4 24934 B13R1.2430 COc1ccc(cc1C(=O)N)N[13CH3] 7a_200011413973_200025704644 [0,3,0,0,0,0|1,0,0]=4 24935 B13R1.2430 COc1ccc(cc1C(=O)[13CH3])C#N 1458a_100009859923_200025704644 [0,3,0,0,0,0|0,0,1]=4 24936 B13R1.2430 COc1ncc(cc1C(=O)C)SC 62a_100010135678_200000210301 [0,3,0,0,0,0|1,0,0]=4 24937 B13R1.2430 COc1ncc(cc1C(=O)C)SC 62a_200000210301_100010135678 [0,3,0,0,0,0|1,0,0]=4 24938 B13R1.2430 COc1ncc(cc1C(=O)C)S[13CH3] 62a_100010135678_200025704644 [0,3,0,0,0,0|1,0,0]=4 24939 B13R1.2430 COc1ncc(cc1C(=O)C)S[13CH3] 62a_200025704644_100010135678 [0,3,0,0,0,0|1,0,0]=4 24940 B13R1.387 C=C(C)c1cc(ccc1C)COC 271570a_100000694244_200015395492 [0,3,0,0,0,0|1,0,0]=4 24941 B13R1.387 C=C(C)c1cc(ccc1C)OCC 271570a_100000694244_100011099959 [0,3,0,0,0,0|1,0,0]=4 24942 B13R1.387 C=C(C)c1cc(ccc1F)CC#N 271570a_100000694244_100000742998 [0,3,0,0,0,0|1,0,0]=4 24943 B13R1.387 C=C(C)c1cc(ccc1F)COC 271570a_100000694244_200011493689 [0,3,0,0,0,0|1,0,0]=4 24944 B13R1.387 C=C(C)c1cc(ccc1N)CC#N 271570a_100000694244_100010188563 [0,3,0,0,0,0|1,0,0]=4 24945 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)C)C 271570a_100015277604_100012706819 [0,3,0,0,0,0|0,0,1]=4 24946 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100015277604_100010712560 [0,3,0,0,0,0|0,0,1]=4 24947 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)C)F 271570a_100015277604_100000689017 [0,3,0,0,0,0|0,0,1]=4 24948 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)C)N 271570a_100015277604_100000695420 [0,3,0,0,0,0|0,0,1]=4 24949 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)C)O 271570a_100015277604_100000212127 [0,3,0,0,0,0|0,0,1]=4 24950 B13R1.387 CC(=O)c1cc(ccc1C)SCF 62a_100012706819_100015361967 [0,3,0,0,0,0|0,0,0]=3 24951 B13R1.387 CC(=O)c1cc(ccc1Cl)OCF 34a_100009867868_100015361967 [0,3,0,0,0,0|0,0,0]=3 24952 B13R1.387 CC(=O)c1cc(ccc1Cl)OCF 7a_100009867868_100015361967 [0,3,0,0,0,0|0,0,0]=3 24953 B13R1.387 CC(=O)c1cc(ccc1Cl)SCF 62a_100010712560_100015361967 [0,3,0,0,0,0|0,0,0]=3 24954 B13R1.387 CC(=O)c1cc(ccc1F)OCF 34a_100000091700_100015361967 [0,3,0,0,0,0|0,0,0]=3 24955 B13R1.387 CC(=O)c1cc(ccc1F)OCF 7a_100000091700_100015361967 [0,3,0,0,0,0|0,0,0]=3 24956 B13R1.387 CC(=O)c1cc(ccc1F)SCF 62a_100000689017_100015361967 [0,3,0,0,0,0|0,0,0]=3 24957 B13R1.387 CC(=O)c1cc(ccc1F)SCF 62a_100015361967_100010254839 [0,3,0,0,0,0|0,0,0]=3 24958 B13R1.387 CC(=O)c1cc(ccc1N)SCF 62a_100000695420_100015361967 [0,3,0,0,0,0|0,0,0]=3 24959 B13R1.387 CC(=O)c1cc(cnc1C)SCF 62a_100015361967_100138557192 [0,3,0,0,0,0|1,0,0]=4 24960 B13R1.387 CC(=O)c1cc(cnc1C)SCF 62a_100138557192_100015361967 [0,3,0,0,0,0|1,0,0]=4 24961 B13R1.387 CC(=O)c1cc(cnc1F)SCF 62a_100010254234_100015361967 [0,3,0,0,0,0|1,0,0]=4 24962 B13R1.387 CC(=O)c1cc(cnc1F)SCF 62a_100015361967_100010254234 [0,3,0,0,0,0|1,0,0]=4 24963 B13R1.387 CC(=O)c1cc(cnc1N)SCF 62a_100010173950_100015361967 [0,3,0,0,0,0|1,0,0]=4 24964 B13R1.387 CC(=O)c1cc(cnc1N)SCF 62a_100015361967_100010173950 [0,3,0,0,0,0|1,0,0]=4 24965 B13R1.387 CC(=O)c1cc(ncc1F)SCF 62a_100000697832_100015361967 [0,3,0,0,0,0|1,0,0]=4 24966 B13R1.387 CC(=O)c1cc(ncc1F)SCF 62a_100015361967_100000697832 [0,3,0,0,0,0|1,0,0]=4 24967 B13R1.387 CC(=O)c1nc(ccc1F)SCF 62a_100009887703_100015361967 [0,3,0,0,0,0|1,0,0]=4 24968 B13R1.387 CC(=O)c1nc(ccc1F)SCF 62a_100015361967_100009887703 [0,3,0,0,0,0|1,0,0]=4 24969 B13R1.387 CC=Cc1cc(c(cn1)F)C(=O)C 271570a_100016259895_100000697832 [0,3,0,0,0,0|1,0,0]=4 24970 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)C 271570a_100016259895_100012706819 [0,3,0,0,0,0|0,0,0]=3 24971 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100016259895_100010712560 [0,3,0,0,0,0|0,0,0]=3 24972 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)F 271570a_100016259895_100000689017 [0,3,0,0,0,0|0,0,0]=3 24973 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)N 271570a_100016259895_100000695420 [0,3,0,0,0,0|0,0,0]=3 24974 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016259895_100000212127 [0,3,0,0,0,0|0,0,0]=3 24975 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)C 271570a_100016259895_100012257281 [0,3,0,0,0,0|1,0,0]=4 24976 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)F 271570a_100016259895_100000162119 [0,3,0,0,0,0|1,0,0]=4 24977 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)N 271570a_100016259895_100000740421 [0,3,0,0,0,0|1,0,0]=4 24978 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)O 271570a_100016259895_100000192807 [0,3,0,0,0,0|1,0,0]=4 24979 B13R1.387 CC=Cc1ccc(c(n1)C(=O)C)F 271570a_100016259895_100009887703 [0,3,0,0,0,0|1,0,0]=4 24980 B13R1.387 CC=Cc1cnc(c(c1)C(=O)C)C 271570a_100016259895_100138557192 [0,3,0,0,0,0|1,0,0]=4 24981 B13R1.387 CC=Cc1cnc(c(c1)C(=O)C)F 271570a_100016259895_100010254234 [0,3,0,0,0,0|1,0,0]=4 24982 B13R1.387 CC=Cc1cnc(c(c1)C(=O)C)N 271570a_100016259895_100010173950 [0,3,0,0,0,0|1,0,0]=4 24983 B13R1.387 CCNc1ccc(c(c1)C(=O)N)Br 34a_100015186447_100000210202 [0,3,0,0,0,0|1,0,0]=4 24984 B13R1.387 CCNc1ccc(c(c1)C(=O)N)Br 7a_100015186447_100000210202 [0,3,0,0,0,0|1,0,0]=4 24985 B13R1.387 CCNc1ccc(c(c1)C(=O)N)C 34a_100000750465_100000210202 [0,3,0,0,0,0|1,0,0]=4 24986 B13R1.387 CCNc1ccc(c(c1)C(=O)N)C 7a_100000750465_100000210202 [0,3,0,0,0,0|1,0,0]=4 24987 B13R1.387 CCNc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_100000210202 [0,3,0,0,0,0|1,0,0]=4 24988 B13R1.387 CCNc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_100000210202 [0,3,0,0,0,0|1,0,0]=4 24989 B13R1.387 CCNc1ccc(c(c1)C(=O)N)F 34a_100000738046_100000210202 [0,3,0,0,0,0|1,0,0]=4 24990 B13R1.387 CCNc1ccc(c(c1)C(=O)N)F 7a_100000738046_100000210202 [0,3,0,0,0,0|1,0,0]=4 24991 B13R1.387 CCOc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_100000210202 [0,3,0,0,0,0|0,0,0]=3 24992 B13R1.387 CCOc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_100000210202 [0,3,0,0,0,0|0,0,0]=3 24993 B13R1.387 CCOc1ccc(c(c1)C(=O)C)F 34a_100000091700_100000210202 [0,3,0,0,0,0|0,0,0]=3 24994 B13R1.387 CCOc1ccc(c(c1)C(=O)C)F 7a_100000091700_100000210202 [0,3,0,0,0,0|0,0,0]=3 24995 B13R1.387 CCOc1ccc(c(c1)C(=O)C)O 1458a_200011255221_200000210301 [0,3,0,0,0,0|0,0,0]=3 24996 B13R1.387 CCOc1ccc(c(c1)C(=O)[13CH3])O 1458a_200011255221_200025704644 [0,3,0,0,0,0|0,0,0]=3 24997 B13R1.387 CCSc1cc(c(cn1)F)C(=O)C 62a_100000210202_100000697832 [0,3,0,0,0,0|1,0,0]=4 24998 B13R1.387 CCSc1cc(c(cn1)F)C(=O)C 62a_100000697832_100000210202 [0,3,0,0,0,0|1,0,0]=4 24999 B13R1.387 CCSc1ccc(c(c1)C(=O)C)C 62a_100012706819_100000210202 [0,3,0,0,0,0|0,0,0]=3 25000 B13R1.387 CCSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_100000210202 [0,3,0,0,0,0|0,0,0]=3 25001 B13R1.387 CCSc1ccc(c(c1)C(=O)C)F 62a_100000210202_100010254839 [0,3,0,0,0,0|0,0,0]=3 25002 B13R1.387 CCSc1ccc(c(c1)C(=O)C)F 62a_100000689017_100000210202 [0,3,0,0,0,0|0,0,0]=3 25003 B13R1.387 CCSc1ccc(c(c1)C(=O)C)N 62a_100000695420_100000210202 [0,3,0,0,0,0|0,0,0]=3 25004 B13R1.387 CCSc1ccc(c(c1)C(=O)N)C 62a_100000210202_100012257281 [0,3,0,0,0,0|1,0,0]=4 25005 B13R1.387 CCSc1ccc(c(c1)C(=O)N)C 62a_100012257281_100000210202 [0,3,0,0,0,0|1,0,0]=4 25006 B13R1.387 CCSc1ccc(c(c1)C(=O)N)F 62a_100000162119_100000210202 [0,3,0,0,0,0|1,0,0]=4 25007 B13R1.387 CCSc1ccc(c(c1)C(=O)N)N 62a_100000740421_100000210202 [0,3,0,0,0,0|1,0,0]=4 25008 B13R1.387 CCSc1ccc(c(c1)C(=O)N)O 62a_100000192807_100000210202 [0,3,0,0,0,0|1,0,0]=4 25009 B13R1.387 CCSc1ccc(c(n1)C(=O)C)F 62a_100000210202_100009887703 [0,3,0,0,0,0|1,0,0]=4 25010 B13R1.387 CCSc1ccc(c(n1)C(=O)C)F 62a_100009887703_100000210202 [0,3,0,0,0,0|1,0,0]=4 25011 B13R1.387 CCSc1cnc(c(c1)C(=O)C)C 62a_100000210202_100138557192 [0,3,0,0,0,0|1,0,0]=4 25012 B13R1.387 CCSc1cnc(c(c1)C(=O)C)C 62a_100138557192_100000210202 [0,3,0,0,0,0|1,0,0]=4 25013 B13R1.387 CCSc1cnc(c(c1)C(=O)C)F 62a_100000210202_100010254234 [0,3,0,0,0,0|1,0,0]=4 25014 B13R1.387 CCSc1cnc(c(c1)C(=O)C)F 62a_100010254234_100000210202 [0,3,0,0,0,0|1,0,0]=4 25015 B13R1.387 CCSc1cnc(c(c1)C(=O)C)N 62a_100000210202_100010173950 [0,3,0,0,0,0|1,0,0]=4 25016 B13R1.387 CCSc1cnc(c(c1)C(=O)C)N 62a_100010173950_100000210202 [0,3,0,0,0,0|1,0,0]=4 25017 B13R1.387 CNCc1ccc(c(c1)C(=O)C)Cl 26a_100102657272_100009867868 [0,3,0,0,0,0|0,0,0]=3 25018 B13R1.387 Cc1ccc(cc1C(=O)N)NCF 34a_100000750465_100015361967 [0,3,0,0,0,0|1,0,0]=4 25019 B13R1.387 Cc1ccc(cc1C(=O)N)NCF 7a_100000750465_100015361967 [0,3,0,0,0,0|1,0,0]=4 25020 B13R1.387 Cc1ccc(cc1C(=O)N)SCF 62a_100012257281_100015361967 [0,3,0,0,0,0|1,0,0]=4 25021 B13R1.387 Cc1ccc(cc1C(=O)N)SCF 62a_100015361967_100012257281 [0,3,0,0,0,0|1,0,0]=4 25022 B13R1.387 NC(=O)c1cc(ccc1Br)NCF 34a_100015186447_100015361967 [0,3,0,0,0,0|1,0,0]=4 25023 B13R1.387 NC(=O)c1cc(ccc1Br)NCF 7a_100015186447_100015361967 [0,3,0,0,0,0|1,0,0]=4 25024 B13R1.387 NC(=O)c1cc(ccc1Cl)NCF 34a_100000736848_100015361967 [0,3,0,0,0,0|1,0,0]=4 25025 B13R1.387 NC(=O)c1cc(ccc1Cl)NCF 7a_100000736848_100015361967 [0,3,0,0,0,0|1,0,0]=4 25026 B13R1.387 NC(=O)c1cc(ccc1F)NCF 34a_100000738046_100015361967 [0,3,0,0,0,0|1,0,0]=4 25027 B13R1.387 NC(=O)c1cc(ccc1F)NCF 7a_100000738046_100015361967 [0,3,0,0,0,0|1,0,0]=4 25028 B13R1.387 NC(=O)c1cc(ccc1F)SCF 62a_100000162119_100015361967 [0,3,0,0,0,0|1,0,0]=4 25029 B13R1.387 NC(=O)c1cc(ccc1N)SCF 62a_100000740421_100015361967 [0,3,0,0,0,0|1,0,0]=4 25030 B13R1.387 NC(=O)c1cc(ccc1O)SCF 62a_100000192807_100015361967 [0,3,0,0,0,0|1,0,0]=4 25031 B13R1.568 C#CCNc1cccc(c1)C(=O)N 34a_100000217337_100000184674 [0,3,0,0,0,0|1,0,0]=4 25032 B13R1.568 C#CCNc1cccc(n1)C(=O)C 27a_100000212058_100000085735 [0,3,0,0,0,0|1,0,0]=4 25033 B13R1.568 C#CCOc1cccc(c1)C(=O)C 34a_100000211620_100000184674 [0,3,0,0,0,0|0,0,0]=3 25034 B13R1.568 C#CCOc1cccc(c1)C(=O)C 7a_100000211620_100000038162 [0,3,0,0,0,0|0,0,0]=3 25035 B13R1.568 C#CCOc1cccc(c1)C(=O)N 34a_100000162170_100000184674 [0,3,0,0,0,0|1,0,0]=4 25036 B13R1.568 C#CCOc1cccc(c1)C(=O)N 7a_100000162170_100000038162 [0,3,0,0,0,0|1,0,0]=4 25037 B13R1.568 C#CCSc1cc(ccn1)C(=O)C 62a_100000038162_100000685609 [0,3,0,0,0,0|1,0,0]=4 25038 B13R1.568 C#CCSc1cccc(c1)C(=C)C 62a_100000038162_100012123953 [0,3,0,0,0,0|1,0,0]=4 25039 B13R1.568 C#CCSc1cccc(c1)C(=O)C 62a_100000038162_100000210093 [0,3,0,0,0,0|0,0,0]=3 25040 B13R1.568 C#CCSc1cccc(c1)C(=O)N 62a_100000038162_100000162208 [0,3,0,0,0,0|1,0,0]=4 25041 B13R1.568 C#CCSc1cccc(c1)S(=O)C 62a_100000038162_100009816267 [0,3,0,0,0,0|1,0,0]=4 25042 B13R1.568 C#CCSc1cccc(n1)C(=O)C 62a_100000038162_100009816502 [0,3,0,0,0,0|1,0,0]=4 25043 B13R1.568 C#CCSc1ccnc(c1)C(=O)C 62a_100000038162_100000709912 [0,3,0,0,0,0|1,0,0]=4 25044 B13R1.568 C#CCSc1cncc(c1)C(=O)C 62a_100000038162_100011216243 [0,3,0,0,0,0|1,0,0]=4 25045 B13R1.568 C=C(C)c1cccc(c1)C#CCO 271570a_100000694244_100009814051 [0,3,0,0,0,0|1,0,0]=4 25046 B13R1.568 C=C(C)c1cccc(c1)CCC#N 271570a_100000694244_100011219771 [0,3,0,0,0,0|1,0,0]=4 25047 B13R1.568 C=C(C)c1cccc(c1)CCCC 271570a_100000694244_200010244551 [0,3,0,0,0,0|1,0,0]=4 25048 B13R1.568 C=C(C)c1cccc(c1)CCCC 271570a_100020621405_100012123953 [0,3,0,0,0,0|1,0,0]=4 25049 B13R1.568 C=C(C)c1cccc(c1)CCCN 271570a_100000694244_100000753791 [0,3,0,0,0,0|1,0,0]=4 25050 B13R1.568 C=C(C)c1cccc(c1)CCCO 271570a_100000694244_100011709248 [0,3,0,0,0,0|1,0,0]=4 25051 B13R1.568 C=C(C)c1cccc(c1)CNCC 271570a_100000694244_100000187426 [0,3,0,0,0,0|1,0,0]=4 25052 B13R1.568 C=C(C)c1cccc(c1)COCC 271570a_100000694244_100011493694 [0,3,0,0,0,0|1,0,0]=4 25053 B13R1.568 C=C(C)c1cccc(c1)CSC#N 271570a_100000694244_200010199461 [0,3,0,0,0,0|1,0,0]=4 25054 B13R1.568 C=C(C)c1cccc(c1)OCC#N 271570a_100000694244_200000169433 [0,3,0,0,0,0|1,0,0]=4 25055 B13R1.568 C=C(C)c1cccc(c1)OCCC 271570a_100000694244_100000170004 [0,3,0,0,0,0|1,0,0]=4 25056 B13R1.568 C=C(C)c1cccc(c1)OCCN 271570a_100000694244_100000743521 [0,3,0,0,0,0|1,0,0]=4 25057 B13R1.568 C=C(C)c1cccc(c1)OCCO 271570a_100000694244_100000757546 [0,3,0,0,0,0|1,0,0]=4 25058 B13R1.568 C=C(C)c1cccc(c1)OCOC 271570a_100000694244_100012265688 [0,3,0,0,0,0|1,0,0]=4 25059 B13R1.568 C=C(C)c1cccc(c1)SCC#N 271570a_100000694244_200011756096 [0,3,0,0,0,0|1,0,0]=4 25060 B13R1.568 C=C(C)c1cccc(c1)SCC#N 62a_100011215382_100012123953 [0,3,0,0,0,0|1,0,0]=4 25061 B13R1.568 C=C(C)c1cccc(c1)SCC#N 62a_100012123953_100011215382 [0,3,0,0,0,0|1,0,0]=4 25062 B13R1.568 C=C(C)c1cccc(c1)SCC=O 62a_100012123953_200015260668 [0,3,0,0,0,0|1,0,0]=4 25063 B13R1.568 C=C(C)c1cccc(c1)SCC=O 62a_200015260668_100012123953 [0,3,0,0,0,0|1,0,0]=4 25064 B13R1.568 C=C(C)c1cccc(c1)SCCC 271570a_100000694244_200009815762 [0,3,0,0,0,0|1,0,0]=4 25065 B13R1.568 C=C(C)c1cccc(c1)SCCC 62a_100000210303_100012123953 [0,3,0,0,0,0|1,0,0]=4 25066 B13R1.568 C=C(C)c1cccc(c1)SCCC 62a_100012123953_100000210303 [0,3,0,0,0,0|1,0,0]=4 25067 B13R1.568 C=C(C)c1cccc(c1)SCCF 62a_100011217306_100012123953 [0,3,0,0,0,0|1,0,0]=4 25068 B13R1.568 C=C(C)c1cccc(c1)SCCF 62a_100012123953_100011217306 [0,3,0,0,0,0|1,0,0]=4 25069 B13R1.568 C=C(C)c1cccc(c1)SCCO 271570a_100000694244_200011756134 [0,3,0,0,0,0|1,0,0]=4 25070 B13R1.568 C=C(C)c1cccc(c1)SCCO 62a_100000211926_100012123953 [0,3,0,0,0,0|1,0,0]=4 25071 B13R1.568 C=C(C)c1cccc(c1)SCCO 62a_100012123953_100000211926 [0,3,0,0,0,0|1,0,0]=4 25072 B13R1.568 C=C(C)c1cccc(c1)SCOC 62a_100000766300_100012123953 [0,3,0,0,0,0|1,0,0]=4 25073 B13R1.568 C=C(C)c1cccc(c1)SCOC 62a_100012123953_100000766300 [0,3,0,0,0,0|1,0,0]=4 25074 B13R1.568 C=C(C)c1cccc(c1)SCSC 62a_100011218213_100012123953 [0,3,0,0,0,0|1,0,0]=4 25075 B13R1.568 C=C(C)c1cccc(c1)SCSC 62a_100012123953_100011218213 [0,3,0,0,0,0|1,0,0]=4 25076 B13R1.568 C=CCNc1cccc(c1)C(=O)N 34a_100000217337_100015514636 [0,3,0,0,0,0|1,0,0]=4 25077 B13R1.568 C=CCNc1cccc(n1)C(=O)C 27a_100020586998_100000085735 [0,3,0,0,0,0|1,0,0]=4 25078 B13R1.568 C=CCOc1cccc(c1)C(=O)C 1458a_200000217307_200000210301 [0,3,0,0,0,0|0,0,0]=3 25079 B13R1.568 C=CCOc1cccc(c1)C(=O)C 34a_100000211620_100015514636 [0,3,0,0,0,0|0,0,0]=3 25080 B13R1.568 C=CCOc1cccc(c1)C(=O)C 7a_100000211620_100015514636 [0,3,0,0,0,0|0,0,0]=3 25081 B13R1.568 C=CCOc1cccc(c1)C(=O)N 34a_100000162170_100015514636 [0,3,0,0,0,0|1,0,0]=4 25082 B13R1.568 C=CCOc1cccc(c1)C(=O)N 7a_100000162170_100015514636 [0,3,0,0,0,0|1,0,0]=4 25083 B13R1.568 C=CCOc1cccc(c1)C(=O)[13CH3] 1458a_200000217307_200025704644 [0,3,0,0,0,0|0,0,0]=3 25084 B13R1.568 C=CCSc1cc(ccn1)C(=O)C 62a_100000210623_100000685609 [0,3,0,0,0,0|1,0,0]=4 25085 B13R1.568 C=CCSc1cc(ccn1)C(=O)C 62a_100000685609_100000210623 [0,3,0,0,0,0|1,0,0]=4 25086 B13R1.568 C=CCSc1cccc(c1)C(=C)C 62a_100000210623_100012123953 [0,3,0,0,0,0|1,0,0]=4 25087 B13R1.568 C=CCSc1cccc(c1)C(=C)C 62a_100012123953_100000210623 [0,3,0,0,0,0|1,0,0]=4 25088 B13R1.568 C=CCSc1cccc(c1)C(=O)C 62a_100000210093_100000210623 [0,3,0,0,0,0|0,0,0]=3 25089 B13R1.568 C=CCSc1cccc(c1)C(=O)C 62a_100000210623_100000210093 [0,3,0,0,0,0|0,0,0]=3 25090 B13R1.568 C=CCSc1cccc(c1)C(=O)N 62a_100000162208_100000210623 [0,3,0,0,0,0|1,0,0]=4 25091 B13R1.568 C=CCSc1cccc(c1)C(=O)N 62a_100000210623_100000162208 [0,3,0,0,0,0|1,0,0]=4 25092 B13R1.568 C=CCSc1cccc(c1)S(=O)C 62a_100000210623_100009816267 [0,3,0,0,0,0|1,0,0]=4 25093 B13R1.568 C=CCSc1cccc(c1)S(=O)C 62a_100009816267_100000210623 [0,3,0,0,0,0|1,0,0]=4 25094 B13R1.568 C=CCSc1cccc(n1)C(=O)C 62a_100000210623_100009816502 [0,3,0,0,0,0|1,0,0]=4 25095 B13R1.568 C=CCSc1cccc(n1)C(=O)C 62a_100009816502_100000210623 [0,3,0,0,0,0|1,0,0]=4 25096 B13R1.568 C=CCSc1ccnc(c1)C(=O)C 62a_100000210623_100000709912 [0,3,0,0,0,0|1,0,0]=4 25097 B13R1.568 C=CCSc1ccnc(c1)C(=O)C 62a_100000709912_100000210623 [0,3,0,0,0,0|1,0,0]=4 25098 B13R1.568 C=CCSc1cncc(c1)C(=O)C 62a_100000210623_100011216243 [0,3,0,0,0,0|1,0,0]=4 25099 B13R1.568 C=CCSc1cncc(c1)C(=O)C 62a_100011216243_100000210623 [0,3,0,0,0,0|1,0,0]=4 25100 B13R1.568 CC(=O)c1cc(ccn1)SCC#N 62a_100000709912_100011215382 [0,3,0,0,0,0|1,0,0]=4 25101 B13R1.568 CC(=O)c1cc(ccn1)SCC#N 62a_100011215382_100000709912 [0,3,0,0,0,0|1,0,0]=4 25102 B13R1.568 CC(=O)c1cc(ccn1)SCC=O 62a_100000709912_200015260668 [0,3,0,0,0,0|1,0,0]=4 25103 B13R1.568 CC(=O)c1cc(ccn1)SCC=O 62a_200015260668_100000709912 [0,3,0,0,0,0|1,0,0]=4 25104 B13R1.568 CC(=O)c1cc(ccn1)SCCF 62a_100000709912_100011217306 [0,3,0,0,0,0|1,0,0]=4 25105 B13R1.568 CC(=O)c1cc(ccn1)SCCF 62a_100011217306_100000709912 [0,3,0,0,0,0|1,0,0]=4 25106 B13R1.568 CC(=O)c1cc(ccn1)SCCO 62a_100000211926_100000709912 [0,3,0,0,0,0|1,0,0]=4 25107 B13R1.568 CC(=O)c1cc(ccn1)SCCO 62a_100000709912_100000211926 [0,3,0,0,0,0|1,0,0]=4 25108 B13R1.568 CC(=O)c1cccc(c1)CSCF 62a_100000084091_100015361967 [0,3,0,0,0,0|0,0,0]=3 25109 B13R1.568 CC(=O)c1cccc(c1)CSCF 62a_100015361967_100000084091 [0,3,0,0,0,0|0,0,0]=3 25110 B13R1.568 CC(=O)c1cccc(c1)OCC#N 7a_100000211620_100011215382 [0,3,0,0,0,0|0,0,0]=3 25111 B13R1.568 CC(=O)c1cccc(c1)OCC=O 34a_100000211620_200009817547 [0,3,0,0,0,0|0,0,0]=3 25112 B13R1.568 CC(=O)c1cccc(c1)OCC=O 7a_100000211620_200015260668 [0,3,0,0,0,0|0,0,0]=3 25113 B13R1.568 CC(=O)c1cccc(c1)OCCF 34a_100000211620_100011217306 [0,3,0,0,0,0|0,0,0]=3 25114 B13R1.568 CC(=O)c1cccc(c1)OCCF 7a_100000211620_100011217306 [0,3,0,0,0,0|0,0,0]=3 25115 B13R1.568 CC(=O)c1cccc(c1)OCCO 1458a_100000217287_200000210301 [0,3,0,0,0,0|0,0,0]=3 25116 B13R1.568 CC(=O)c1cccc(c1)OCCO 34a_100000211620_100000211926 [0,3,0,0,0,0|0,0,0]=3 25117 B13R1.568 CC(=O)c1cccc(c1)OCCO 7a_100000211620_100000211926 [0,3,0,0,0,0|0,0,0]=3 25118 B13R1.568 CC(=O)c1cccc(c1)SCC#N 62a_100000210093_100011215382 [0,3,0,0,0,0|0,0,0]=3 25119 B13R1.568 CC(=O)c1cccc(c1)SCC#N 62a_100011215382_100000210093 [0,3,0,0,0,0|0,0,0]=3 25120 B13R1.568 CC(=O)c1cccc(c1)SCC=O 62a_100000210093_200015260668 [0,3,0,0,0,0|0,0,0]=3 25121 B13R1.568 CC(=O)c1cccc(c1)SCC=O 62a_200015260668_100000210093 [0,3,0,0,0,0|0,0,0]=3 25122 B13R1.568 CC(=O)c1cccc(c1)SCCF 62a_100000210093_100011217306 [0,3,0,0,0,0|0,0,0]=3 25123 B13R1.568 CC(=O)c1cccc(c1)SCCF 62a_100011217306_100000210093 [0,3,0,0,0,0|0,0,0]=3 25124 B13R1.568 CC(=O)c1cccc(c1)SCCO 62a_100000210093_100000211926 [0,3,0,0,0,0|0,0,0]=3 25125 B13R1.568 CC(=O)c1cccc(c1)SCCO 62a_100000211926_100000210093 [0,3,0,0,0,0|0,0,0]=3 25126 B13R1.568 CC(=O)c1cccc(n1)NCCO 27a_100000210304_100000085735 [0,3,0,0,0,0|1,0,0]=4 25127 B13R1.568 CC(=O)c1cccc(n1)SCC#N 62a_100009816502_100011215382 [0,3,0,0,0,0|1,0,0]=4 25128 B13R1.568 CC(=O)c1cccc(n1)SCC#N 62a_100011215382_100009816502 [0,3,0,0,0,0|1,0,0]=4 25129 B13R1.568 CC(=O)c1cccc(n1)SCC=O 62a_100009816502_200015260668 [0,3,0,0,0,0|1,0,0]=4 25130 B13R1.568 CC(=O)c1cccc(n1)SCC=O 62a_200015260668_100009816502 [0,3,0,0,0,0|1,0,0]=4 25131 B13R1.568 CC(=O)c1cccc(n1)SCCF 62a_100009816502_100011217306 [0,3,0,0,0,0|1,0,0]=4 25132 B13R1.568 CC(=O)c1cccc(n1)SCCF 62a_100011217306_100009816502 [0,3,0,0,0,0|1,0,0]=4 25133 B13R1.568 CC(=O)c1cccc(n1)SCCO 62a_100000211926_100009816502 [0,3,0,0,0,0|1,0,0]=4 25134 B13R1.568 CC(=O)c1cccc(n1)SCCO 62a_100009816502_100000211926 [0,3,0,0,0,0|1,0,0]=4 25135 B13R1.568 CC(=O)c1ccnc(c1)SCC#N 62a_100000685609_100011215382 [0,3,0,0,0,0|1,0,0]=4 25136 B13R1.568 CC(=O)c1ccnc(c1)SCC#N 62a_100011215382_100000685609 [0,3,0,0,0,0|1,0,0]=4 25137 B13R1.568 CC(=O)c1ccnc(c1)SCC=O 62a_100000685609_200015260668 [0,3,0,0,0,0|1,0,0]=4 25138 B13R1.568 CC(=O)c1ccnc(c1)SCC=O 62a_200015260668_100000685609 [0,3,0,0,0,0|1,0,0]=4 25139 B13R1.568 CC(=O)c1ccnc(c1)SCCF 62a_100000685609_100011217306 [0,3,0,0,0,0|1,0,0]=4 25140 B13R1.568 CC(=O)c1ccnc(c1)SCCF 62a_100011217306_100000685609 [0,3,0,0,0,0|1,0,0]=4 25141 B13R1.568 CC(=O)c1ccnc(c1)SCCO 62a_100000211926_100000685609 [0,3,0,0,0,0|1,0,0]=4 25142 B13R1.568 CC(=O)c1ccnc(c1)SCCO 62a_100000685609_100000211926 [0,3,0,0,0,0|1,0,0]=4 25143 B13R1.568 CC(=O)c1cncc(c1)SCC#N 62a_100011215382_100011216243 [0,3,0,0,0,0|1,0,0]=4 25144 B13R1.568 CC(=O)c1cncc(c1)SCC#N 62a_100011216243_100011215382 [0,3,0,0,0,0|1,0,0]=4 25145 B13R1.568 CC(=O)c1cncc(c1)SCC=O 62a_100011216243_200015260668 [0,3,0,0,0,0|1,0,0]=4 25146 B13R1.568 CC(=O)c1cncc(c1)SCC=O 62a_200015260668_100011216243 [0,3,0,0,0,0|1,0,0]=4 25147 B13R1.568 CC(=O)c1cncc(c1)SCCF 62a_100011216243_100011217306 [0,3,0,0,0,0|1,0,0]=4 25148 B13R1.568 CC(=O)c1cncc(c1)SCCF 62a_100011217306_100011216243 [0,3,0,0,0,0|1,0,0]=4 25149 B13R1.568 CC(=O)c1cncc(c1)SCCO 62a_100000211926_100011216243 [0,3,0,0,0,0|1,0,0]=4 25150 B13R1.568 CC(=O)c1cncc(c1)SCCO 62a_100011216243_100000211926 [0,3,0,0,0,0|1,0,0]=4 25151 B13R1.568 CCCCc1cc(ccn1)C(=O)C 271570a_100020621405_100000685609 [0,3,0,0,0,0|1,0,0]=4 25152 B13R1.568 CCCCc1cccc(c1)C(=O)C 1458a_100012178757_200000210301 [0,3,0,0,0,0|0,0,0]=3 25153 B13R1.568 CCCCc1cccc(c1)C(=O)C 271570a_100020621405_100000210093 [0,3,0,0,0,0|0,0,0]=3 25154 B13R1.568 CCCCc1cccc(c1)C(=O)N 271570a_100020621405_100000162208 [0,3,0,0,0,0|1,0,0]=4 25155 B13R1.568 CCCCc1cccc(c1)C(=O)[13CH3] 1458a_100012178757_200025704644 [0,3,0,0,0,0|0,0,0]=3 25156 B13R1.568 CCCCc1cccc(c1)S(=O)C 271570a_100020621405_100009816267 [0,3,0,0,0,0|1,0,0]=4 25157 B13R1.568 CCCCc1cccc(n1)C(=O)C 271570a_100020621405_100009816502 [0,3,0,0,0,0|1,0,0]=4 25158 B13R1.568 CCCCc1ccnc(c1)C(=O)C 271570a_100020621405_100000709912 [0,3,0,0,0,0|1,0,0]=4 25159 B13R1.568 CCCCc1cncc(c1)C(=O)C 271570a_100020621405_100011216243 [0,3,0,0,0,0|1,0,0]=4 25160 B13R1.568 CCCNc1cccc(c1)C(=O)N 34a_100000217337_100000210303 [0,3,0,0,0,0|1,0,0]=4 25161 B13R1.568 CCCOc1cccc(c1)C(=O)C 1458a_100000216339_200000210301 [0,3,0,0,0,0|0,0,0]=3 25162 B13R1.568 CCCOc1cccc(c1)C(=O)C 34a_100000211620_100000210303 [0,3,0,0,0,0|0,0,0]=3 25163 B13R1.568 CCCOc1cccc(c1)C(=O)C 7a_100000211620_100000210303 [0,3,0,0,0,0|0,0,0]=3 25164 B13R1.568 CCCOc1cccc(c1)C(=O)N 34a_100000162170_100000210303 [0,3,0,0,0,0|1,0,0]=4 25165 B13R1.568 CCCOc1cccc(c1)C(=O)N 7a_100000162170_100000210303 [0,3,0,0,0,0|1,0,0]=4 25166 B13R1.568 CCCOc1cccc(c1)C(=O)[13CH3] 1458a_100000216339_200025704644 [0,3,0,0,0,0|0,0,0]=3 25167 B13R1.568 CCCSc1cc(ccn1)C(=O)C 62a_100000210303_100000685609 [0,3,0,0,0,0|1,0,0]=4 25168 B13R1.568 CCCSc1cc(ccn1)C(=O)C 62a_100000685609_100000210303 [0,3,0,0,0,0|1,0,0]=4 25169 B13R1.568 CCCSc1cccc(c1)C(=O)C 62a_100000210093_100000210303 [0,3,0,0,0,0|0,0,0]=3 25170 B13R1.568 CCCSc1cccc(c1)C(=O)C 62a_100000210303_100000210093 [0,3,0,0,0,0|0,0,0]=3 25171 B13R1.568 CCCSc1cccc(c1)C(=O)N 62a_100000162208_100000210303 [0,3,0,0,0,0|1,0,0]=4 25172 B13R1.568 CCCSc1cccc(c1)C(=O)N 62a_100000210303_100000162208 [0,3,0,0,0,0|1,0,0]=4 25173 B13R1.568 CCCSc1cccc(c1)S(=O)C 62a_100000210303_100009816267 [0,3,0,0,0,0|1,0,0]=4 25174 B13R1.568 CCCSc1cccc(c1)S(=O)C 62a_100009816267_100000210303 [0,3,0,0,0,0|1,0,0]=4 25175 B13R1.568 CCCSc1cccc(n1)C(=O)C 62a_100000210303_100009816502 [0,3,0,0,0,0|1,0,0]=4 25176 B13R1.568 CCCSc1cccc(n1)C(=O)C 62a_100009816502_100000210303 [0,3,0,0,0,0|1,0,0]=4 25177 B13R1.568 CCCSc1ccnc(c1)C(=O)C 62a_100000210303_100000709912 [0,3,0,0,0,0|1,0,0]=4 25178 B13R1.568 CCCSc1ccnc(c1)C(=O)C 62a_100000709912_100000210303 [0,3,0,0,0,0|1,0,0]=4 25179 B13R1.568 CCCSc1cncc(c1)C(=O)C 62a_100000210303_100011216243 [0,3,0,0,0,0|1,0,0]=4 25180 B13R1.568 CCCSc1cncc(c1)C(=O)C 62a_100011216243_100000210303 [0,3,0,0,0,0|1,0,0]=4 25181 B13R1.568 CCNCc1cccc(c1)C(=O)C 2230a_100015525214_100000084091 [0,3,0,0,0,0|0,0,0]=3 25182 B13R1.568 CCNCc1cccc(c1)C(=O)N 207a_100015525214_100000059704 [0,3,0,0,0,0|1,0,0]=4 25183 B13R1.568 CCNCc1cccc(c1)C(=O)N 2230a_100000746036_100000210202 [0,3,0,0,0,0|1,0,0]=4 25184 B13R1.568 CCNCc1cccc(c1)C(=O)N 2230a_100015525214_100000738444 [0,3,0,0,0,0|1,0,0]=4 25185 B13R1.568 CCNCc1cccc(c1)C(=O)N 270004a_100015525214_100000059704 [0,3,0,0,0,0|1,0,0]=4 25186 B13R1.568 CCNCc1cccc(c1)C(=O)O 269956a_100000752609_100000210202 [0,3,0,0,0,0|1,0,0]=4 25187 B13R1.568 CCOCc1cccc(c1)C(=O)C 34a_100121572206_100000084091 [0,3,0,0,0,0|0,0,0]=3 25188 B13R1.568 CCOCc1cccc(c1)C(=O)N 34a_100121572206_100000738444 [0,3,0,0,0,0|1,0,0]=4 25189 B13R1.568 CCSCc1cccc(c1)C(=O)C 62a_100000084091_100000210202 [0,3,0,0,0,0|0,0,0]=3 25190 B13R1.568 CCSCc1cccc(c1)C(=O)C 62a_100000210202_100000084091 [0,3,0,0,0,0|0,0,0]=3 25191 B13R1.568 CCSCc1cccc(c1)C(=O)N 62a_100000210202_100000738444 [0,3,0,0,0,0|1,0,0]=4 25192 B13R1.568 CCSCc1cccc(c1)C(=O)N 62a_100000738444_100000210202 [0,3,0,0,0,0|1,0,0]=4 25193 B13R1.568 COCSc1cc(ccn1)C(=O)C 62a_100000685609_100000766300 [0,3,0,0,0,0|1,0,0]=4 25194 B13R1.568 COCSc1cc(ccn1)C(=O)C 62a_100000766300_100000685609 [0,3,0,0,0,0|1,0,0]=4 25195 B13R1.568 COCSc1cccc(c1)C(=O)C 62a_100000210093_100000766300 [0,3,0,0,0,0|0,0,0]=3 25196 B13R1.568 COCSc1cccc(c1)C(=O)C 62a_100000766300_100000210093 [0,3,0,0,0,0|0,0,0]=3 25197 B13R1.568 COCSc1cccc(c1)C(=O)N 62a_100000162208_100000766300 [0,3,0,0,0,0|1,0,0]=4 25198 B13R1.568 COCSc1cccc(c1)C(=O)N 62a_100000766300_100000162208 [0,3,0,0,0,0|1,0,0]=4 25199 B13R1.568 COCSc1cccc(c1)S(=O)C 62a_100000766300_100009816267 [0,3,0,0,0,0|1,0,0]=4 25200 B13R1.568 COCSc1cccc(c1)S(=O)C 62a_100009816267_100000766300 [0,3,0,0,0,0|1,0,0]=4 25201 B13R1.568 COCSc1cccc(n1)C(=O)C 62a_100000766300_100009816502 [0,3,0,0,0,0|1,0,0]=4 25202 B13R1.568 COCSc1cccc(n1)C(=O)C 62a_100009816502_100000766300 [0,3,0,0,0,0|1,0,0]=4 25203 B13R1.568 COCSc1ccnc(c1)C(=O)C 62a_100000709912_100000766300 [0,3,0,0,0,0|1,0,0]=4 25204 B13R1.568 COCSc1ccnc(c1)C(=O)C 62a_100000766300_100000709912 [0,3,0,0,0,0|1,0,0]=4 25205 B13R1.568 COCSc1cncc(c1)C(=O)C 62a_100000766300_100011216243 [0,3,0,0,0,0|1,0,0]=4 25206 B13R1.568 COCSc1cncc(c1)C(=O)C 62a_100011216243_100000766300 [0,3,0,0,0,0|1,0,0]=4 25207 B13R1.568 CS(=O)c1cccc(c1)SCC#N 62a_100009816267_100011215382 [0,3,0,0,0,0|1,0,0]=4 25208 B13R1.568 CS(=O)c1cccc(c1)SCC#N 62a_100011215382_100009816267 [0,3,0,0,0,0|1,0,0]=4 25209 B13R1.568 CS(=O)c1cccc(c1)SCC=O 62a_100009816267_200015260668 [0,3,0,0,0,0|1,0,0]=4 25210 B13R1.568 CS(=O)c1cccc(c1)SCC=O 62a_200015260668_100009816267 [0,3,0,0,0,0|1,0,0]=4 25211 B13R1.568 CS(=O)c1cccc(c1)SCCF 62a_100009816267_100011217306 [0,3,0,0,0,0|1,0,0]=4 25212 B13R1.568 CS(=O)c1cccc(c1)SCCF 62a_100011217306_100009816267 [0,3,0,0,0,0|1,0,0]=4 25213 B13R1.568 CS(=O)c1cccc(c1)SCCO 62a_100000211926_100009816267 [0,3,0,0,0,0|1,0,0]=4 25214 B13R1.568 CS(=O)c1cccc(c1)SCCO 62a_100009816267_100000211926 [0,3,0,0,0,0|1,0,0]=4 25215 B13R1.568 CSCNc1cccc(c1)C(=O)N 34a_100000217337_100011218213 [0,3,0,0,0,0|1,0,0]=4 25216 B13R1.568 CSCOc1cccc(c1)C(=O)C 34a_100000211620_100011218213 [0,3,0,0,0,0|0,0,0]=3 25217 B13R1.568 CSCOc1cccc(c1)C(=O)N 34a_100000162170_100011218213 [0,3,0,0,0,0|1,0,0]=4 25218 B13R1.568 CSCSc1cc(ccn1)C(=O)C 62a_100000685609_100011218213 [0,3,0,0,0,0|1,0,0]=4 25219 B13R1.568 CSCSc1cc(ccn1)C(=O)C 62a_100011218213_100000685609 [0,3,0,0,0,0|1,0,0]=4 25220 B13R1.568 CSCSc1cccc(c1)C(=O)C 62a_100000210093_100011218213 [0,3,0,0,0,0|0,0,0]=3 25221 B13R1.568 CSCSc1cccc(c1)C(=O)C 62a_100011218213_100000210093 [0,3,0,0,0,0|0,0,0]=3 25222 B13R1.568 CSCSc1cccc(c1)C(=O)N 62a_100000162208_100011218213 [0,3,0,0,0,0|1,0,0]=4 25223 B13R1.568 CSCSc1cccc(c1)C(=O)N 62a_100011218213_100000162208 [0,3,0,0,0,0|1,0,0]=4 25224 B13R1.568 CSCSc1cccc(c1)S(=O)C 62a_100009816267_100011218213 [0,3,0,0,0,0|1,0,0]=4 25225 B13R1.568 CSCSc1cccc(c1)S(=O)C 62a_100011218213_100009816267 [0,3,0,0,0,0|1,0,0]=4 25226 B13R1.568 CSCSc1cccc(n1)C(=O)C 62a_100009816502_100011218213 [0,3,0,0,0,0|1,0,0]=4 25227 B13R1.568 CSCSc1cccc(n1)C(=O)C 62a_100011218213_100009816502 [0,3,0,0,0,0|1,0,0]=4 25228 B13R1.568 CSCSc1ccnc(c1)C(=O)C 62a_100000709912_100011218213 [0,3,0,0,0,0|1,0,0]=4 25229 B13R1.568 CSCSc1ccnc(c1)C(=O)C 62a_100011218213_100000709912 [0,3,0,0,0,0|1,0,0]=4 25230 B13R1.568 CSCSc1cncc(c1)C(=O)C 62a_100011216243_100011218213 [0,3,0,0,0,0|1,0,0]=4 25231 B13R1.568 CSCSc1cncc(c1)C(=O)C 62a_100011218213_100011216243 [0,3,0,0,0,0|1,0,0]=4 25232 B13R1.568 N#CCOc1cccc(c1)C(=O)N 7a_100000162170_100011215382 [0,3,0,0,0,0|1,0,0]=4 25233 B13R1.568 N#CCSc1cccc(c1)C(=O)N 62a_100000162208_100011215382 [0,3,0,0,0,0|1,0,0]=4 25234 B13R1.568 N#CCSc1cccc(c1)C(=O)N 62a_100011215382_100000162208 [0,3,0,0,0,0|1,0,0]=4 25235 B13R1.568 NC(=O)c1cccc(c1)CSCF 62a_100000738444_100015361967 [0,3,0,0,0,0|1,0,0]=4 25236 B13R1.568 NC(=O)c1cccc(c1)CSCF 62a_100015361967_100000738444 [0,3,0,0,0,0|1,0,0]=4 25237 B13R1.568 NC(=O)c1cccc(c1)NCC=O 34a_100000217337_200009817547 [0,3,0,0,0,0|1,0,0]=4 25238 B13R1.568 NC(=O)c1cccc(c1)NCCF 34a_100000217337_100011217306 [0,3,0,0,0,0|1,0,0]=4 25239 B13R1.568 NC(=O)c1cccc(c1)NCCO 34a_100000217337_100000211926 [0,3,0,0,0,0|1,0,0]=4 25240 B13R1.568 NC(=O)c1cccc(c1)OCC=O 34a_100000162170_200009817547 [0,3,0,0,0,0|1,0,0]=4 25241 B13R1.568 NC(=O)c1cccc(c1)OCC=O 7a_100000162170_200015260668 [0,3,0,0,0,0|1,0,0]=4 25242 B13R1.568 NC(=O)c1cccc(c1)OCCF 34a_100000162170_100011217306 [0,3,0,0,0,0|1,0,0]=4 25243 B13R1.568 NC(=O)c1cccc(c1)OCCF 7a_100000162170_100011217306 [0,3,0,0,0,0|1,0,0]=4 25244 B13R1.568 NC(=O)c1cccc(c1)OCCO 34a_100000162170_100000211926 [0,3,0,0,0,0|1,0,0]=4 25245 B13R1.568 NC(=O)c1cccc(c1)OCCO 7a_100000162170_100000211926 [0,3,0,0,0,0|1,0,0]=4 25246 B13R1.568 NC(=O)c1cccc(c1)SCC=O 62a_100000162208_200015260668 [0,3,0,0,0,0|1,0,0]=4 25247 B13R1.568 NC(=O)c1cccc(c1)SCC=O 62a_200015260668_100000162208 [0,3,0,0,0,0|1,0,0]=4 25248 B13R1.568 NC(=O)c1cccc(c1)SCCF 62a_100000162208_100011217306 [0,3,0,0,0,0|1,0,0]=4 25249 B13R1.568 NC(=O)c1cccc(c1)SCCF 62a_100011217306_100000162208 [0,3,0,0,0,0|1,0,0]=4 25250 B13R1.568 NC(=O)c1cccc(c1)SCCO 62a_100000162208_100000211926 [0,3,0,0,0,0|1,0,0]=4 25251 B13R1.568 NC(=O)c1cccc(c1)SCCO 62a_100000211926_100000162208 [0,3,0,0,0,0|1,0,0]=4 25252 B13R1.568 O=C(O)c1cccc(c1)CNCF 269956a_100000752609_100015361967 [0,3,0,0,0,0|1,0,0]=4 25253 B13R1.568 [13CH3]C(=O)c1cccc(c1)OCCO 1458a_100000217287_200025704644 [0,3,0,0,0,0|0,0,0]=3 25254 B11R1.75 CC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200000210301 [0,0,1,1,0,1|1,0,0]=4 25255 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [0,0,1,1,0,1|1,0,0]=4 25256 B11R1.75 CC(=O)C=Cc1ccc(s1)C 1458a_100102558089_200000210301 [0,0,1,1,0,1|1,0,0]=4 25257 B11R1.75 CC(=O)C=Cc1cnn(c1)C 1458a_100000230101_200000210301 [0,0,1,1,0,1|1,0,0]=4 25258 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [0,0,1,1,0,1|1,0,0]=4 25259 B11R1.75 Cc1ccc(s1)C=CC(=O)[13CH3] 1458a_100102558089_200025704644 [0,0,1,1,0,1|1,0,0]=4 25260 B11R1.75 Cn1cc(cn1)C=CC(=O)[13CH3] 1458a_100000230101_200025704644 [0,0,1,1,0,1|1,0,0]=4 25261 B11R1.75 [13CH3]C(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200025704644 [0,0,1,1,0,1|1,0,0]=4 25262 B11R1.605 CC=Cc1c(cccc1C)C 271570a_100016259895_100000033847 [0,1,1,1,0,0|1,0,0]=4 25263 B11R1.605 CC=Cc1c(cccc1Cl)C 271570a_100016259895_100000043165 [0,1,1,1,0,0|1,0,0]=4 25264 B11R1.605 CC=Cc1c(cccc1F)C 271570a_100016259895_100012349962 [0,1,1,1,0,0|1,0,0]=4 25265 B11R1.605 CC=Cc1c(cccc1N)C 271570a_100016259895_100000684715 [0,1,1,1,0,0|1,0,0]=4 25266 B11R1.605 CC=Cc1c(cccc1O)C 271570a_100016259895_100000686692 [0,1,1,1,0,0|1,0,0]=4 25267 B11R1.605 CC=Cc1c(ccnc1C)C 271570a_100016259895_100012000501 [0,1,1,1,0,0|1,0,0]=4 25268 B11R1.605 CC=Cc1c(ccnc1C)N 271570a_100016259895_100010243816 [0,1,1,1,0,0|1,0,0]=4 25269 B11R1.41 C/C=C/c1ccccc1OC 34a_200000189419_200000210301 [0,1,1,1,0,0|1,0,0]=4 25270 B11R1.41 C/C=C/c1ccccc1OC 7a_200000189419_200000210301 [0,1,1,1,0,0|1,0,0]=4 25271 B11R1.41 C/C=C/c1ccccc1O[13CH3] 34a_200000189419_200025704644 [0,1,1,1,0,0|1,0,0]=4 25272 B11R1.41 C/C=C/c1ccccc1O[13CH3] 7a_200000189419_200025704644 [0,1,1,1,0,0|1,0,0]=4 25273 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [0,1,1,1,0,0|0,0,1]=4 25274 B11R1.41 CC=Cc1ccccc1CC 271570a_100016259895_100011215823 [0,1,1,1,0,0|1,0,0]=4 25275 B11R1.41 CC=Cc1ccccc1CN 271570a_100016259895_100000689332 [0,1,1,1,0,0|1,0,0]=4 25276 B11R1.41 CC=Cc1ccccc1CO 271570a_100016259895_100000187465 [0,1,1,1,0,0|1,0,0]=4 25277 B11R1.41 CC=Cc1ccccc1NC 271570a_100016259895_100020606079 [0,1,1,1,0,0|1,0,0]=4 25278 B11R1.41 CC=Cc1ccccc1OC 271570a_100016259895_100000174000 [0,1,1,1,0,0|1,0,0]=4 25279 B11R1.41 CC=Cc1ccccc1SC 271570a_100016259895_100011217816 [0,1,1,1,0,0|1,0,0]=4 25280 B11R1.41 CC=Cc1cccnc1C=O 271570a_100016259895_100011934733 [0,1,1,1,0,0|1,0,0]=4 25281 B11R1.41 CC=Cc1cccnc1CC 271570a_100016259895_100009877225 [0,1,1,1,0,0|1,0,0]=4 25282 B11R1.41 CC=Cc1cccnc1CN 271570a_100016259895_100020591323 [0,1,1,1,0,0|1,0,0]=4 25283 B11R1.41 CC=Cc1cccnc1CO 271570a_100016259895_100011996772 [0,1,1,1,0,0|1,0,0]=4 25284 B11R1.41 CC=Cc1cccnc1NC 271570a_100016259895_100000700899 [0,1,1,1,0,0|1,0,0]=4 25285 B11R1.41 CC=Cc1cccnc1OC 271570a_100016259895_100000047025 [0,1,1,1,0,0|1,0,0]=4 25286 B11R1.41 CC=Cc1cccnc1SC 271570a_100016259895_100011465278 [0,1,1,1,0,0|1,0,0]=4 25287 B11R1.81 CC=Cc1ccc(cc1C)Br 271570a_100016259895_100000701812 [0,1,1,1,0,0|1,0,0]=4 25288 B11R1.81 CC=Cc1ccc(cc1C)C 271570a_100016259895_100011217332 [0,1,1,1,0,0|1,0,0]=4 25289 B11R1.81 CC=Cc1ccc(cc1C)Cl 271570a_100016259895_100011219607 [0,1,1,1,0,0|1,0,0]=4 25290 B11R1.81 CC=Cc1ccc(cc1C)F 271570a_100016259895_100011205405 [0,1,1,1,0,0|1,0,0]=4 25291 B11R1.81 CC=Cc1ccc(cc1C)N 271570a_100016259895_100000210723 [0,1,1,1,0,0|1,0,0]=4 25292 B11R1.81 CC=Cc1ccc(cc1C)O 271570a_100016259895_100000729255 [0,1,1,1,0,0|1,0,0]=4 25293 B11R1.81 CC=Cc1ccc(nc1C)C 271570a_100016259895_100009813853 [0,1,1,1,0,0|1,0,0]=4 25294 B11R1.81 CC=Cc1ccc(nc1C)Cl 271570a_100016259895_100000062408 [0,1,1,1,0,0|1,0,0]=4 25295 B11R1.81 CC=Cc1ccc(nc1C)F 271570a_100016259895_100000688911 [0,1,1,1,0,0|1,0,0]=4 25296 B11R1.81 CC=Cc1ccc(nc1C)N 271570a_100016259895_100000013003 [0,1,1,1,0,0|1,0,0]=4 25297 B11R1.81 CC=Cc1ccc(nc1C)O 271570a_100016259895_100000691680 [0,1,1,1,0,0|1,0,0]=4 25298 B11R1.185 CC=Cc1cc(sc1C)C=O 271570a_100016259895_100000708457 [0,1,1,1,0,0|0,1,0]=4 25299 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,1,1,1,0,0|0,0,1]=4 25300 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,1,1,1,0,0|0,0,1]=4 25301 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,1,1,1,0,0|0,0,1]=4 25302 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,1,1,1,0,0|0,0,1]=4 25303 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,1,1,1,0,0|0,0,1]=4 25304 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,1,1,1,0,0|0,0,1]=4 25305 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,1,1,1,0,0|0,0,1]=4 25306 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,1,1,1,0,0|0,0,1]=4 25307 B11R1.25 CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210202 [0,1,1,1,0,0|1,0,0]=4 25308 B11R1.25 CNC(=O)C=Cc1cccs1 11a_106832991635_100000182767 [0,1,1,1,0,0|1,0,0]=4 25309 B11R1.25 CNC(=O)C=Cc1cccs1 1626a_100102657272_100000182767 [0,1,1,1,0,0|1,0,0]=4 25310 B11R1.25 CNC(=O)C=Cc1cccs1 240690a_100102657272_100000182767 [0,1,1,1,0,0|1,0,0]=4 25311 B11R1.25 O=C(C=Cc1cccs1)CF 1458a_100000182767_100015361967 [0,1,1,1,0,0|1,0,0]=4 25312 B13R2.162 O=C1CCc2cccc(c2C1)O 271570a_203496583355_100010006498 [0,0,0,1,0,2|1,0,0]=4 25313 B13R2.3683 O=C1CCc2cc(ccc2C1)O 271570a_203496583355_100000753102 [0,0,0,1,0,2|1,0,0]=4 25314 B13R2.3683 O=C1Cc2ccc(cc2CN1)O 271570a_203496583355_100010174877 [0,0,0,1,0,2|1,0,0]=4 25315 B13R2.1279 CC(=Cc1ccc2c(c1)CC2)C 271570a_100102525489_100009818592 [0,1,0,1,0,1|1,0,0]=4 25316 B13R2.3050 Cc1ccc2c(c1O)CC(=O)N2 271570a_203496583355_100015548004 [0,1,0,1,0,1|1,0,0]=4 25317 B13R2.13083 Cc1cc2[nH]c(=O)[nH]c2cc1O 271570a_203496583355_100010107294 [0,1,0,1,0,1|1,0,0]=4 25318 B13R2.13083 Cc1cc2c(cc1O)CC(=O)N2 271570a_203496583355_100010201617 [0,1,0,1,0,1|0,0,0]=3 25319 B13R2.13083 Cc1nc2cc(c(cc2s1)O)C 271570a_203496583355_200010762721 [0,1,0,1,0,1|0,1,0]=4 25320 B13R2.13083 O=C1Cc2cc(c(cc2N1)Cl)O 271570a_203496583355_100012929135 [0,1,0,1,0,1|1,0,0]=4 25321 B13R2.13083 O=C1Cc2cc(c(cc2N1)F)O 271570a_203496583355_100000727509 [0,1,0,1,0,1|1,0,0]=4 25322 B13R2.13083 O=C1Cc2cc(c(cc2N1)O)F 271570a_203496583355_200010218348 [0,1,0,1,0,1|1,0,0]=4 25323 B13R2.43 CNc1nc2ccc(cc2s1)C 27a_100102657272_100010186437 [0,1,0,1,0,1|1,0,0]=4 25324 B13R2.43 CSc1nc2ccc(cc2s1)C 62a_200000210301_100010186437 [0,1,0,1,0,1|1,0,0]=4 25325 B13R2.43 Cc1ccc2nc(sc2c1)S[13CH3] 62a_200025704644_100010186437 [0,1,0,1,0,1|1,0,0]=4 25326 B13R2.54 CNc1nc2c(cccc2s1)C 27a_100102657272_100010008827 [0,1,0,1,0,1|1,0,0]=4 25327 B13R2.54 CSc1nc2c(cccc2s1)C 62a_200000210301_100010008827 [0,1,0,1,0,1|1,0,0]=4 25328 B13R2.54 Cc1cccc2c1nc(s2)S[13CH3] 62a_200025704644_100010008827 [0,1,0,1,0,1|1,0,0]=4 25329 B13R2.155 O=C1CCc2ccc(cc2C1)O 271570a_203496583355_100010138410 [0,1,0,1,0,1|1,0,0]=4 25330 B13R2.155 O=C1CCc2ccc(cc2N1)O 271570a_203496583355_100000763451 [0,1,0,1,0,1|1,0,0]=4 25331 B13R2.155 O=C1COc2ccc(cc2N1)O 271570a_203496583355_100000244627 [0,1,0,1,0,1|1,0,0]=4 25332 B13R2.155 O=C1CSc2ccc(cc2N1)O 271570a_203496583355_100012361575 [0,1,0,1,0,1|1,0,0]=4 25333 B13R2.155 O=C1NCc2ccc(cc2N1)O 271570a_203496583355_100010161048 [0,1,0,1,0,1|1,0,0]=4 25334 B13R2.155 O=C1Nc2cc(ccc2CO1)O 271570a_203496583355_100000726308 [0,1,0,1,0,1|1,0,0]=4 25335 B13R2.4856 CN1C(=O)Cc2c1c(ccc2)O 271570a_203496583355_100010870571 [0,1,0,1,0,1|1,0,0]=4 25336 B13R2.4856 Cn1c(=O)[nH]c2c1c(ccc2)O 271570a_203496583355_100010994120 [0,1,0,1,0,1|1,0,0]=4 25337 B13R2.5179 O=C1CCc2c(cccc2C1)O 271570a_203496583355_100010138409 [0,1,0,1,0,1|1,0,0]=4 25338 B13R2.5179 O=C1CCc2c(cccc2N1)O 271570a_203496583355_100010232564 [0,1,0,1,0,1|1,0,0]=4 25339 B13R2.5179 O=C1CCc2c(cccc2O1)O 271570a_203496583355_200015620928 [0,1,0,1,0,1|1,0,0]=4 25340 B13R2.5179 O=C1COc2c(cccc2N1)O 271570a_203496583355_100012355675 [0,1,0,1,0,1|1,0,0]=4 25341 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [0,1,0,1,0,1|1,0,0]=4 25342 B13R2.5190 CN1C(=O)Cc2c1ccc(c2)O 271570a_203496583355_100000183948 [0,1,0,1,0,1|1,0,0]=4 25343 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [0,1,0,1,0,1|1,0,0]=4 25344 B13R2.5139 O=C1Cc2c(ccc(c2N1)F)O 271570a_203496583355_100012355367 [0,1,0,1,0,1|1,0,0]=4 25345 B13R2.3028 CN1C(=O)Cc2c1cc(cc2)O 271570a_203496583355_100010285470 [0,1,0,1,0,1|1,0,0]=4 25346 B13R2.581 C=Cc1cccc2c1CC(=O)C2 271570a_100011290941_100010205903 [0,1,0,1,0,1|0,0,1]=4 25347 B13R2.581 C=Cc1cccc2c1CC(=O)N2 271570a_100011290941_100009816812 [0,1,0,1,0,1|0,0,1]=4 25348 B13R2.581 CC1=Cc2cccc(c2C1)S[13CH3] 62a_100010271545_200025704644 [0,1,0,1,0,1|1,0,0]=4 25349 B13R2.581 CNc1cccc2c1nc(o2)C 34a_100011934982_200000210301 [0,1,0,1,0,1|1,0,0]=4 25350 B13R2.581 CNc1cccc2c1oc(c2)C 34a_200015185323_200000210301 [0,1,0,1,0,1|0,0,1]=4 25351 B13R2.581 COc1cccc2c1cc([nH]2)C 34a_200000059750_200000210301 [0,1,0,1,0,1|1,0,0]=4 25352 B13R2.581 CSc1cccc2c1CC(=C2)C 62a_100010271545_200000210301 [0,1,0,1,0,1|1,0,0]=4 25353 B13R2.581 CSc1cccc2c1CC(=O)C2 62a_100010205903_200000210301 [0,1,0,1,0,1|0,0,0]=3 25354 B13R2.581 CSc1cccc2c1CC(=O)N2 62a_200000210301_100009816812 [0,1,0,1,0,1|0,0,0]=3 25355 B13R2.581 CSc1cccc2c1NC(=O)C2 62a_200000210301_100000767046 [0,1,0,1,0,1|1,0,0]=4 25356 B13R2.581 CSc1cccc2c1cc([nH]2)C 62a_200000210301_100010143266 [0,1,0,1,0,1|1,0,0]=4 25357 B13R2.581 CSc1cccc2c1nc([nH]2)C 62a_200000210301_100012360556 [0,1,0,1,0,1|1,0,0]=4 25358 B13R2.581 CSc1cccc2c1nc(o2)C 62a_200000210301_100010883239 [0,1,0,1,0,1|1,0,0]=4 25359 B13R2.581 CSc1cccc2c1nc(s2)C 62a_100010236672_200000210301 [0,1,0,1,0,1|1,0,0]=4 25360 B13R2.581 CSc1cccc2c1nc(s2)C 62a_200000210301_100010236672 [0,1,0,1,0,1|1,0,0]=4 25361 B13R2.581 CSc1cccc2c1oc(n2)C 62a_200000210301_100010168998 [0,1,0,1,0,1|0,0,1]=4 25362 B13R2.581 CSc1cccc2c1sc(n2)C 62a_100010236699_200000210301 [0,1,0,1,0,1|0,1,0]=4 25363 B13R2.581 CSc1cccc2c1sc(n2)C 62a_200000210301_100010236699 [0,1,0,1,0,1|0,1,0]=4 25364 B13R2.581 CSc1ccnc2c1CC(=O)N2 62a_200000210301_100000104061 [0,1,0,1,0,1|1,0,0]=4 25365 B13R2.581 Cc1cc2c(cccc2[nH]1)O[13CH3] 34a_200000059750_200025704644 [0,1,0,1,0,1|1,0,0]=4 25366 B13R2.581 Cc1cc2c(cccc2[nH]1)S[13CH3] 62a_200025704644_100010143266 [0,1,0,1,0,1|1,0,0]=4 25367 B13R2.581 Cc1cc2cccc(c2o1)N[13CH3] 34a_200015185323_200025704644 [0,1,0,1,0,1|0,0,1]=4 25368 B13R2.581 Cc1nc2c(cccc2[nH]1)S[13CH3] 62a_200025704644_100012360556 [0,1,0,1,0,1|1,0,0]=4 25369 B13R2.581 Cc1nc2c(cccc2o1)N[13CH3] 34a_100011934982_200025704644 [0,1,0,1,0,1|1,0,0]=4 25370 B13R2.581 Cc1nc2c(cccc2o1)S[13CH3] 62a_200025704644_100010883239 [0,1,0,1,0,1|1,0,0]=4 25371 B13R2.581 Cc1nc2c(cccc2s1)S[13CH3] 62a_100010236672_200025704644 [0,1,0,1,0,1|1,0,0]=4 25372 B13R2.581 Cc1nc2c(cccc2s1)S[13CH3] 62a_200025704644_100010236672 [0,1,0,1,0,1|1,0,0]=4 25373 B13R2.581 Cc1nc2cccc(c2o1)S[13CH3] 62a_200025704644_100010168998 [0,1,0,1,0,1|0,0,1]=4 25374 B13R2.581 Cc1nc2cccc(c2s1)S[13CH3] 62a_100010236699_200025704644 [0,1,0,1,0,1|0,1,0]=4 25375 B13R2.581 Cc1nc2cccc(c2s1)S[13CH3] 62a_200025704644_100010236699 [0,1,0,1,0,1|0,1,0]=4 25376 B13R2.581 [13CH3]Sc1cccc2c1CC(=O)C2 62a_100010205903_200025704644 [0,1,0,1,0,1|0,0,0]=3 25377 B13R2.581 [13CH3]Sc1cccc2c1CC(=O)N2 62a_200025704644_100009816812 [0,1,0,1,0,1|0,0,0]=3 25378 B13R2.581 [13CH3]Sc1cccc2c1NC(=O)C2 62a_200025704644_100000767046 [0,1,0,1,0,1|1,0,0]=4 25379 B13R2.581 [13CH3]Sc1ccnc2c1CC(=O)N2 62a_200025704644_100000104061 [0,1,0,1,0,1|1,0,0]=4 25380 B13R2.2121 C=Cc1ccc2c(c1)CC(=O)C2 271570a_100011290941_100010185598 [0,1,0,1,0,1|0,0,1]=4 25381 B13R2.2121 C=Cc1ccc2c(c1)NC(=O)C2 271570a_100011290941_100000760487 [0,1,0,1,0,1|0,0,1]=4 25382 B13R2.2121 CNc1ccc2nc(oc2c1)C 34a_100000736495_200000210301 [0,1,0,1,0,1|1,0,0]=4 25383 B13R2.2121 CNc1ccc2oc(nc2c1)C 34a_100000195416_200000210301 [0,1,0,1,0,1|0,0,1]=4 25384 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200000210301 [0,1,0,1,0,1|1,0,0]=4 25385 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 34a_100000073708_200000210301 [0,1,0,1,0,1|1,0,0]=4 25386 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 7a_100000073708_200000210301 [0,1,0,1,0,1|1,0,0]=4 25387 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 34a_100000035078_200000210301 [0,1,0,1,0,1|1,0,0]=4 25388 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 7a_100000035078_200000210301 [0,1,0,1,0,1|1,0,0]=4 25389 B13R2.2121 COc1ccc2cc([nH]c2c1)C 34a_100000058111_200000210301 [0,1,0,1,0,1|1,0,0]=4 25390 B13R2.2121 COc1ccc2cc(oc2c1)C 34a_100000095638_200000210301 [0,1,0,1,0,1|1,0,0]=4 25391 B13R2.2121 COc1ccc2cc(oc2c1)C 7a_100000095638_200000210301 [0,1,0,1,0,1|1,0,0]=4 25392 B13R2.2121 COc1ccc2nc(oc2c1)C 34a_100000116946_200000210301 [0,1,0,1,0,1|1,0,0]=4 25393 B13R2.2121 COc1ccc2nc(oc2c1)C 7a_100000116946_200000210301 [0,1,0,1,0,1|1,0,0]=4 25394 B13R2.2121 COc1ccc2nc(sc2c1)C 34a_100000008955_200000210301 [0,1,0,1,0,1|1,0,0]=4 25395 B13R2.2121 COc1ccc2nc(sc2c1)C 7a_100000008955_200000210301 [0,1,0,1,0,1|1,0,0]=4 25396 B13R2.2121 COc1ccc2oc(nc2c1)C 34a_100000102623_200000210301 [0,1,0,1,0,1|0,0,1]=4 25397 B13R2.2121 COc1ccc2oc(nc2c1)C 7a_100000102623_200000210301 [0,1,0,1,0,1|0,0,1]=4 25398 B13R2.2121 COc1ccc2sc(nc2c1)C 34a_100000031546_200000210301 [0,1,0,1,0,1|0,1,0]=4 25399 B13R2.2121 COc1ccc2sc(nc2c1)C 7a_100000031546_200000210301 [0,1,0,1,0,1|0,1,0]=4 25400 B13R2.2121 CSc1cc2c(cn1)CC(=O)N2 62a_200000210301_100000089690 [0,1,0,1,0,1|1,0,0]=4 25401 B13R2.2121 CSc1ccc2[nH]c(=O)[nH]c2c1 62a_200000210301_200011356815 [0,1,0,1,0,1|1,0,0]=4 25402 B13R2.2121 CSc1ccc2[nH]c(=O)oc2c1 62a_200000210301_100000697996 [0,1,0,1,0,1|1,0,0]=4 25403 B13R2.2121 CSc1ccc2[nH]c(cc2c1)C 62a_200000210301_100011214893 [0,1,0,1,0,1|1,0,0]=4 25404 B13R2.2121 CSc1ccc2[nH]c(nc2c1)C 62a_200000210301_100011264012 [0,1,0,1,0,1|1,0,0]=4 25405 B13R2.2121 CSc1ccc2c(c1)CC(=O)C2 62a_100010185598_200000210301 [0,1,0,1,0,1|0,0,0]=3 25406 B13R2.2121 CSc1ccc2c(c1)CC(=O)N2 62a_200000210301_100000754858 [0,1,0,1,0,1|1,0,0]=4 25407 B13R2.2121 CSc1ccc2c(c1)NC(=O)C2 62a_200000210301_100000760487 [0,1,0,1,0,1|0,0,0]=3 25408 B13R2.2121 CSc1ccc2c(n1)NC(=O)C2 62a_200000210301_100000104062 [0,1,0,1,0,1|1,0,0]=4 25409 B13R2.2121 CSc1ccc2cc([nH]c2c1)C 62a_200000210301_100010196937 [0,1,0,1,0,1|1,0,0]=4 25410 B13R2.2121 CSc1ccc2nc(oc2c1)C 62a_200000210301_100010171164 [0,1,0,1,0,1|1,0,0]=4 25411 B13R2.2121 CSc1ccc2nc(sc2c1)C 62a_100009813144_200000210301 [0,1,0,1,0,1|1,0,0]=4 25412 B13R2.2121 CSc1ccc2nc(sc2c1)C 62a_200000210301_100009813144 [0,1,0,1,0,1|1,0,0]=4 25413 B13R2.2121 CSc1ccc2oc(nc2c1)C 62a_200000210301_100009816932 [0,1,0,1,0,1|0,0,1]=4 25414 B13R2.2121 CSc1ccc2sc(cc2c1)C 62a_100000695401_200000210301 [0,1,0,1,0,1|0,1,0]=4 25415 B13R2.2121 CSc1ccc2sc(cc2c1)C 62a_200000210301_100000695401 [0,1,0,1,0,1|0,1,0]=4 25416 B13R2.2121 CSc1ccc2sc(nc2c1)C 62a_100009813953_200000210301 [0,1,0,1,0,1|0,1,0]=4 25417 B13R2.2121 CSc1ccc2sc(nc2c1)C 62a_200000210301_100009813953 [0,1,0,1,0,1|0,1,0]=4 25418 B13R2.2121 CSc1cnc2c(c1)NC(=O)C2 62a_200000210301_100010168558 [0,1,0,1,0,1|1,0,0]=4 25419 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 34a_100000073708_200025704644 [0,1,0,1,0,1|1,0,0]=4 25420 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 7a_100000073708_200025704644 [0,1,0,1,0,1|1,0,0]=4 25421 B13R2.2121 Cc1cc2cc(ccc2[nH]1)S[13CH3] 62a_200025704644_100011214893 [0,1,0,1,0,1|1,0,0]=4 25422 B13R2.2121 Cc1cc2cc(ccc2s1)S[13CH3] 62a_100000695401_200025704644 [0,1,0,1,0,1|0,1,0]=4 25423 B13R2.2121 Cc1cc2cc(ccc2s1)S[13CH3] 62a_200025704644_100000695401 [0,1,0,1,0,1|0,1,0]=4 25424 B13R2.2121 Cc1cc2ccc(cc2[nH]1)O[13CH3] 34a_100000058111_200025704644 [0,1,0,1,0,1|1,0,0]=4 25425 B13R2.2121 Cc1cc2ccc(cc2[nH]1)S[13CH3] 62a_200025704644_100010196937 [0,1,0,1,0,1|1,0,0]=4 25426 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 34a_100000095638_200025704644 [0,1,0,1,0,1|1,0,0]=4 25427 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 7a_100000095638_200025704644 [0,1,0,1,0,1|1,0,0]=4 25428 B13R2.2121 Cc1nc2cc(ccc2[nH]1)S[13CH3] 62a_200025704644_100011264012 [0,1,0,1,0,1|1,0,0]=4 25429 B13R2.2121 Cc1nc2cc(ccc2o1)N[13CH3] 34a_100000195416_200025704644 [0,1,0,1,0,1|0,0,1]=4 25430 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 34a_100000102623_200025704644 [0,1,0,1,0,1|0,0,1]=4 25431 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 7a_100000102623_200025704644 [0,1,0,1,0,1|0,0,1]=4 25432 B13R2.2121 Cc1nc2cc(ccc2o1)S[13CH3] 62a_200025704644_100009816932 [0,1,0,1,0,1|0,0,1]=4 25433 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 34a_100000031546_200025704644 [0,1,0,1,0,1|0,1,0]=4 25434 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 7a_100000031546_200025704644 [0,1,0,1,0,1|0,1,0]=4 25435 B13R2.2121 Cc1nc2cc(ccc2s1)S[13CH3] 62a_100009813953_200025704644 [0,1,0,1,0,1|0,1,0]=4 25436 B13R2.2121 Cc1nc2cc(ccc2s1)S[13CH3] 62a_200025704644_100009813953 [0,1,0,1,0,1|0,1,0]=4 25437 B13R2.2121 Cc1nc2ccc(cc2o1)N[13CH3] 34a_100000736495_200025704644 [0,1,0,1,0,1|1,0,0]=4 25438 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 34a_100000116946_200025704644 [0,1,0,1,0,1|1,0,0]=4 25439 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 7a_100000116946_200025704644 [0,1,0,1,0,1|1,0,0]=4 25440 B13R2.2121 Cc1nc2ccc(cc2o1)S[13CH3] 62a_200025704644_100010171164 [0,1,0,1,0,1|1,0,0]=4 25441 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 34a_100000008955_200025704644 [0,1,0,1,0,1|1,0,0]=4 25442 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 7a_100000008955_200025704644 [0,1,0,1,0,1|1,0,0]=4 25443 B13R2.2121 Cc1nc2ccc(cc2s1)S[13CH3] 62a_100009813144_200025704644 [0,1,0,1,0,1|1,0,0]=4 25444 B13R2.2121 Cc1nc2ccc(cc2s1)S[13CH3] 62a_200025704644_100009813144 [0,1,0,1,0,1|1,0,0]=4 25445 B13R2.2121 [13CH3]Oc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200025704644 [0,1,0,1,0,1|1,0,0]=4 25446 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 34a_100000035078_200025704644 [0,1,0,1,0,1|1,0,0]=4 25447 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 7a_100000035078_200025704644 [0,1,0,1,0,1|1,0,0]=4 25448 B13R2.2121 [13CH3]Sc1cc2c(cn1)CC(=O)N2 62a_200025704644_100000089690 [0,1,0,1,0,1|1,0,0]=4 25449 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)[nH]c2c1 62a_200025704644_200011356815 [0,1,0,1,0,1|1,0,0]=4 25450 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)oc2c1 62a_200025704644_100000697996 [0,1,0,1,0,1|1,0,0]=4 25451 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)C2 62a_100010185598_200025704644 [0,1,0,1,0,1|0,0,0]=3 25452 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)N2 62a_200025704644_100000754858 [0,1,0,1,0,1|1,0,0]=4 25453 B13R2.2121 [13CH3]Sc1ccc2c(c1)NC(=O)C2 62a_200025704644_100000760487 [0,1,0,1,0,1|0,0,0]=3 25454 B13R2.2121 [13CH3]Sc1ccc2c(n1)NC(=O)C2 62a_200025704644_100000104062 [0,1,0,1,0,1|1,0,0]=4 25455 B13R2.2121 [13CH3]Sc1cnc2c(c1)NC(=O)C2 62a_200025704644_100010168558 [0,1,0,1,0,1|1,0,0]=4 25456 B13R2.430 C=C(C)c1ccc2c(c1)C=CC2 271570a_100000694244_100009814306 [0,2,0,1,0,0|1,0,0]=4 25457 B13R2.430 C=C(C)c1ccc2c(c1)CC=C2 271570a_100000694244_200009818231 [0,2,0,1,0,0|1,0,0]=4 25458 B13R2.430 C=C(C)c1ccc2c(c1)CCC2 271570a_100000694244_100000745594 [0,2,0,1,0,0|1,0,0]=4 25459 B13R2.430 C=C(C)c1ccc2c(c1)CCN2 271570a_100000694244_100000026929 [0,2,0,1,0,0|1,0,0]=4 25460 B13R2.430 C=C(C)c1ccc2c(c1)CCO2 271570a_100000694244_100000729065 [0,2,0,1,0,0|1,0,0]=4 25461 B13R2.430 C=C(C)c1ccc2c(c1)CNC2 271570a_100000694244_100000702344 [0,2,0,1,0,0|1,0,0]=4 25462 B13R2.430 C=C(C)c1ccc2c(c1)COC2 271570a_100000694244_100000698232 [0,2,0,1,0,0|1,0,0]=4 25463 B13R2.430 C=C(C)c1ccc2c(c1)NCC2 271570a_100000694244_100000754641 [0,2,0,1,0,0|1,0,0]=4 25464 B13R2.430 C=C(C)c1ccc2c(c1)OCC2 271570a_100000694244_100009818566 [0,2,0,1,0,0|1,0,0]=4 25465 B13R2.430 C=C(C)c1ccc2c(c1)OCO2 271570a_100000694244_100000688060 [0,2,0,1,0,0|1,0,0]=4 25466 B13R2.430 CC(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200000210301 [0,2,0,1,0,0|0,0,1]=4 25467 B13R2.430 CC(=O)c1ccc2[nH]cnc2c1 1458a_100000184039_200000210301 [0,2,0,1,0,0|0,0,1]=4 25468 B13R2.430 CC(=O)c1ccc2[nH]ncc2c1 1458a_100000030791_200000210301 [0,2,0,1,0,0|0,0,1]=4 25469 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200000210301 [0,2,0,1,0,0|0,0,0]=3 25470 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200000210301 [0,2,0,1,0,0|0,0,0]=3 25471 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [0,2,0,1,0,0|0,0,0]=3 25472 B13R2.430 CC(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200000210301 [0,2,0,1,0,0|0,0,1]=4 25473 B13R2.430 CC(=O)c1ccc2ccoc2c1 1458a_100000077109_200000210301 [0,2,0,1,0,0|0,0,1]=4 25474 B13R2.430 CC(=O)c1ccc2ccsc2c1 1458a_100000045399_200000210301 [0,2,0,1,0,0|0,0,1]=4 25475 B13R2.430 CC(=O)c1ccc2cn[nH]c2c1 1458a_102516607281_200000210301 [0,2,0,1,0,0|0,0,1]=4 25476 B13R2.430 CC(=O)c1ccc2ncoc2c1 1458a_100000750374_200000210301 [0,2,0,1,0,0|0,0,1]=4 25477 B13R2.430 CC(=O)c1ccc2ncsc2c1 1458a_100000183663_200000210301 [0,2,0,1,0,0|0,0,1]=4 25478 B13R2.430 CC(=O)c1ccc2nonc2c1 1458a_100000031939_200000210301 [0,2,0,1,0,0|1,0,0]=4 25479 B13R2.430 CC(=O)c1ccc2nsnc2c1 1458a_100000041451_200000210301 [0,2,0,1,0,0|1,0,0]=4 25480 B13R2.430 CC(=O)c1ccc2occc2c1 1458a_100000039204_200000210301 [0,2,0,1,0,0|0,0,1]=4 25481 B13R2.430 CC(=O)c1ccc2ocnc2c1 1458a_100000238527_200000210301 [0,2,0,1,0,0|0,0,1]=4 25482 B13R2.430 CC(=O)c1ccc2sccc2c1 1458a_100000766740_200000210301 [0,2,0,1,0,0|0,0,1]=4 25483 B13R2.430 CC(=O)c1ccc2scnc2c1 1458a_100000068124_200000210301 [0,2,0,1,0,0|0,0,1]=4 25484 B13R2.430 CC(=O)c1ccc2snnc2c1 1458a_100000038608_200000210301 [0,2,0,1,0,0|1,0,0]=4 25485 B13R2.430 [13CH3]C(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200025704644 [0,2,0,1,0,0|0,0,1]=4 25486 B13R2.430 [13CH3]C(=O)c1ccc2[nH]cnc2c1 1458a_100000184039_200025704644 [0,2,0,1,0,0|0,0,1]=4 25487 B13R2.430 [13CH3]C(=O)c1ccc2[nH]ncc2c1 1458a_100000030791_200025704644 [0,2,0,1,0,0|0,0,1]=4 25488 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200025704644 [0,2,0,1,0,0|0,0,0]=3 25489 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200025704644 [0,2,0,1,0,0|0,0,0]=3 25490 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [0,2,0,1,0,0|0,0,0]=3 25491 B13R2.430 [13CH3]C(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200025704644 [0,2,0,1,0,0|0,0,1]=4 25492 B13R2.430 [13CH3]C(=O)c1ccc2ccoc2c1 1458a_100000077109_200025704644 [0,2,0,1,0,0|0,0,1]=4 25493 B13R2.430 [13CH3]C(=O)c1ccc2ccsc2c1 1458a_100000045399_200025704644 [0,2,0,1,0,0|0,0,1]=4 25494 B13R2.430 [13CH3]C(=O)c1ccc2cn[nH]c2c1 1458a_102516607281_200025704644 [0,2,0,1,0,0|0,0,1]=4 25495 B13R2.430 [13CH3]C(=O)c1ccc2ncoc2c1 1458a_100000750374_200025704644 [0,2,0,1,0,0|0,0,1]=4 25496 B13R2.430 [13CH3]C(=O)c1ccc2ncsc2c1 1458a_100000183663_200025704644 [0,2,0,1,0,0|0,0,1]=4 25497 B13R2.430 [13CH3]C(=O)c1ccc2nonc2c1 1458a_100000031939_200025704644 [0,2,0,1,0,0|1,0,0]=4 25498 B13R2.430 [13CH3]C(=O)c1ccc2nsnc2c1 1458a_100000041451_200025704644 [0,2,0,1,0,0|1,0,0]=4 25499 B13R2.430 [13CH3]C(=O)c1ccc2occc2c1 1458a_100000039204_200025704644 [0,2,0,1,0,0|0,0,1]=4 25500 B13R2.430 [13CH3]C(=O)c1ccc2ocnc2c1 1458a_100000238527_200025704644 [0,2,0,1,0,0|0,0,1]=4 25501 B13R2.430 [13CH3]C(=O)c1ccc2sccc2c1 1458a_100000766740_200025704644 [0,2,0,1,0,0|0,0,1]=4 25502 B13R2.430 [13CH3]C(=O)c1ccc2scnc2c1 1458a_100000068124_200025704644 [0,2,0,1,0,0|0,0,1]=4 25503 B13R2.430 [13CH3]C(=O)c1ccc2snnc2c1 1458a_100000038608_200025704644 [0,2,0,1,0,0|1,0,0]=4 25504 B13R2.11634 Cc1cc2c(cc1O)C(=O)CC2 271570a_203496583355_100010133461 [0,2,0,1,0,0|1,0,0]=4 25505 B13R2.11634 Cc1cc2c(cc1O)CCC2=O 271570a_203496583355_100010010902 [0,2,0,1,0,0|0,0,0]=3 25506 B13R2.11634 Nc1cc2c(cc1O)C(=O)CC2 271570a_203496583355_100010080117 [0,2,0,1,0,0|1,0,0]=4 25507 B13R2.11634 O=C1CCc2c1cc(c(c2)F)O 271570a_203496583355_100010010871 [0,2,0,1,0,0|1,0,0]=4 25508 B13R2.11634 O=C1CCc2c1cc(c(c2)O)F 271570a_203496583355_100010010804 [0,2,0,1,0,0|1,0,0]=4 25509 B13R2.1139 CCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000210202 [0,2,0,1,0,0|0,0,0]=3 25510 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 11a_106832991635_100000137882 [0,2,0,1,0,0|0,0,0]=3 25511 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 1626a_100102657272_100000137882 [0,2,0,1,0,0|0,0,0]=3 25512 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 240690a_100102657272_100000137882 [0,2,0,1,0,0|0,0,0]=3 25513 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 527a_100102657272_100000137882 [0,2,0,1,0,0|0,0,0]=3 25514 B13R2.1139 O=C(CF)c1ccc2c(c1)CC2 1458a_100000137882_100015361967 [0,2,0,1,0,0|0,0,0]=3 25515 B13R2.5180 Cc1c(ccc2c1CCC2=O)O 271570a_203496583355_100010133460 [0,2,0,1,0,0|0,0,0]=3 25516 B13R2.5180 Cc1c(ccc2c1COC2=O)O 271570a_203496583355_100010986288 [0,2,0,1,0,0|0,0,0]=3 25517 B13R2.5180 Cc1ccc2c(c1O)CCC2=O 271570a_203496583355_100010133459 [0,2,0,1,0,0|1,0,0]=4 25518 B13R2.5180 O=C1CCc2c1ccc(c2F)O 271570a_203496583355_100010133455 [0,2,0,1,0,0|1,0,0]=4 25519 B13R2.5180 O=C1CCc2c1ccc(c2O)F 271570a_203496583355_200010133454 [0,2,0,1,0,0|1,0,0]=4 25520 B13R2.9 COc1noc2c1cccc2C 34a_100000041175_200000210301 [0,2,0,1,0,0|0,0,1]=4 25521 B13R2.9 CSc1n[nH]c2c1cccc2C 62a_200000210301_100010186057 [0,2,0,1,0,0|1,0,0]=4 25522 B13R2.9 Cc1cccc2c1[nH]nc2S[13CH3] 62a_200025704644_100010186057 [0,2,0,1,0,0|1,0,0]=4 25523 B13R2.9 Cc1cccc2c1onc2O[13CH3] 34a_100000041175_200025704644 [0,2,0,1,0,0|0,0,1]=4 25524 B13R2.13 Cc1cccc(c1)C2=CCCC2 271570a_100000089523_100011215228 [0,2,0,1,0,0|1,0,0]=4 25525 B13R2.13 Cc1cccc(c1)C2=CCOC2 271570a_100009872500_100011215228 [0,2,0,1,0,0|0,0,1]=4 25526 B13R2.13 Cc1cccc(c1)C2=COCC2 271570a_100000118173_100011215228 [0,2,0,1,0,0|0,0,1]=4 25527 B13R2.2136 CSc1n[nH]c2c1cc(cc2)C 62a_200000210301_100000123028 [0,2,0,1,0,0|1,0,0]=4 25528 B13R2.2136 Cc1ccc2[nH]nc(c2c1)S[13CH3] 62a_200025704644_100000123028 [0,2,0,1,0,0|1,0,0]=4 25529 B13R2.342 O=C1CCCc2c1cccc2O 271570a_203496583355_100000691372 [0,2,0,1,0,0|1,0,0]=4 25530 B13R2.342 O=C1CCNc2c1cccc2O 271570a_203496583355_115082355814 [0,2,0,1,0,0|1,0,0]=4 25531 B13R2.342 O=C1CCOc2c1cccc2O 271570a_203496583355_100000744318 [0,2,0,1,0,0|1,0,0]=4 25532 B13R2.342 O=C1CCSc2c1cccc2O 271570a_203496583355_100011271337 [0,2,0,1,0,0|1,0,0]=4 25533 B13R2.342 O=C1NCCc2c1cccc2O 271570a_203496583355_100000695023 [0,2,0,1,0,0|1,0,0]=4 25534 B13R2.5187 Cc1ccc2c(c1)c(nn2C)O 271570a_203496583355_100000123007 [0,2,0,1,0,0|0,0,1]=4 25535 B13R2.5187 O=C1CC(=O)c2c1ccc(c2)O 271570a_203496583355_100009997049 [0,2,0,1,0,0|1,0,0]=4 25536 B13R2.3790 Nc1ccc2c(c1O)C(=O)CC2 271570a_203496583355_100010218033 [0,2,0,1,0,0|1,0,0]=4 25537 B13R2.3790 O=C1CCc2c1c(c(cc2)F)O 271570a_203496583355_200010133456 [0,2,0,1,0,0|1,0,0]=4 25538 B13R2.5151 Cc1ccc(c2c1C(=O)CC2)O 271570a_203496583355_100010091368 [0,2,0,1,0,0|1,0,0]=4 25539 B13R2.5151 O=C1CCc2c1c(ccc2F)O 271570a_203496583355_100000694073 [0,2,0,1,0,0|1,0,0]=4 25540 B13R2.5151 O=C1CCc2c1c(ccc2O)F 271570a_203496583355_100012347972 [0,2,0,1,0,0|1,0,0]=4 25541 B13R2.5151 O=C1CCc2c1c(ccc2O)O 271570a_203496583355_100009816527 [0,2,0,1,0,0|1,0,0]=4 25542 B13R2.5151 O=C1CCc2c1c(ccc2O)O 271570a_203496583355_200010133748 [0,2,0,1,0,0|1,0,0]=4 25543 B13R2.3742 Cc1cc(c2c(c1)C(=O)CC2)O 271570a_203496583355_200012347971 [0,2,0,1,0,0|0,0,0]=3 25544 B13R2.3742 Cc1cc(cc2c1CCC2=O)O 271570a_203496583355_200010133532 [0,2,0,1,0,0|0,0,0]=3 25545 B13R2.3742 Cc1n[nH]c2c1cc(cc2C)O 271570a_203496583355_100102525159 [0,2,0,1,0,0|1,0,0]=4 25546 B13R2.3742 O=C1CCc2c1cc(cc2F)O 271570a_203496583355_100000751134 [0,2,0,1,0,0|1,0,0]=4 25547 B13R2.3742 O=C1CCc2c1cc(cc2O)F 271570a_203496583355_100012355282 [0,2,0,1,0,0|1,0,0]=4 25548 B13R2.573 C=Cc1cccc2c1CCC2=O 271570a_100011290941_100000744605 [0,2,0,1,0,0|0,0,1]=4 25549 B13R2.573 C=Cc1cccc2c1CNC2=O 271570a_100011290941_100000688282 [0,2,0,1,0,0|0,0,1]=4 25550 B13R2.573 C=Cc1cccc2c1COC2=O 271570a_100011290941_100010167076 [0,2,0,1,0,0|0,0,1]=4 25551 B13R2.573 C=Cc1cccc2c1OCC2=O 271570a_100011290941_100011230590 [0,2,0,1,0,0|0,0,1]=4 25552 B13R2.573 CNc1cccc2c1CNC2=O 2230a_100000087543_200000210301 [0,2,0,1,0,0|0,0,0]=3 25553 B13R2.573 COc1cccc2c1CCC2=O 34a_100000240044_200000210301 [0,2,0,1,0,0|0,0,0]=3 25554 B13R2.573 COc1cccc2c1CCC2=O 7a_100000240044_200000210301 [0,2,0,1,0,0|0,0,0]=3 25555 B13R2.573 COc1cccc2c1CNC2=O 34a_100000098541_200000210301 [0,2,0,1,0,0|0,0,0]=3 25556 B13R2.573 CSc1cccc2c1CCC2=O 62a_100000049675_200000210301 [0,2,0,1,0,0|0,0,0]=3 25557 B13R2.573 CSc1cccc2c1CCC2=O 62a_200000210301_100000049675 [0,2,0,1,0,0|0,0,0]=3 25558 B13R2.573 CSc1cccc2c1CNC2=O 62a_100000688282_200000210301 [0,2,0,1,0,0|0,0,0]=3 25559 B13R2.573 CSc1cccc2c1COC2=O 62a_100010167076_200000210301 [0,2,0,1,0,0|0,0,0]=3 25560 B13R2.573 CSc1cccc2c1OCC2=O 62a_200000210301_100011230590 [0,2,0,1,0,0|0,0,0]=3 25561 B13R2.573 CSc1cccc2c1[nH]cc2C 62a_200000210301_100010186758 [0,2,0,1,0,0|1,0,0]=4 25562 B13R2.573 CSc1cccc2c1[nH]nc2C 62a_200000210301_100010255084 [0,2,0,1,0,0|1,0,0]=4 25563 B13R2.573 Cc1c[nH]c2c1cccc2S[13CH3] 62a_200025704644_100010186758 [0,2,0,1,0,0|1,0,0]=4 25564 B13R2.573 Cc1n[nH]c2c1cccc2S[13CH3] 62a_200025704644_100010255084 [0,2,0,1,0,0|1,0,0]=4 25565 B13R2.573 [13CH3]Nc1cccc2c1CNC2=O 2230a_100000087543_200025704644 [0,2,0,1,0,0|0,0,0]=3 25566 B13R2.573 [13CH3]Oc1cccc2c1CCC2=O 34a_100000240044_200025704644 [0,2,0,1,0,0|0,0,0]=3 25567 B13R2.573 [13CH3]Oc1cccc2c1CCC2=O 7a_100000240044_200025704644 [0,2,0,1,0,0|0,0,0]=3 25568 B13R2.573 [13CH3]Oc1cccc2c1CNC2=O 34a_100000098541_200025704644 [0,2,0,1,0,0|0,0,0]=3 25569 B13R2.573 [13CH3]Sc1cccc2c1CCC2=O 62a_100000049675_200025704644 [0,2,0,1,0,0|0,0,0]=3 25570 B13R2.573 [13CH3]Sc1cccc2c1CCC2=O 62a_200025704644_100000049675 [0,2,0,1,0,0|0,0,0]=3 25571 B13R2.573 [13CH3]Sc1cccc2c1CNC2=O 62a_100000688282_200025704644 [0,2,0,1,0,0|0,0,0]=3 25572 B13R2.573 [13CH3]Sc1cccc2c1COC2=O 62a_100010167076_200025704644 [0,2,0,1,0,0|0,0,0]=3 25573 B13R2.573 [13CH3]Sc1cccc2c1OCC2=O 62a_200025704644_100011230590 [0,2,0,1,0,0|0,0,0]=3 25574 B13R2.669 C=Cc1ccc2c(c1)C(=O)CC2 271570a_100011290941_100000759401 [0,2,0,1,0,0|0,0,1]=4 25575 B13R2.669 C=Cc1ccc2c(c1)C(=O)CO2 271570a_100011290941_100000752586 [0,2,0,1,0,0|0,0,1]=4 25576 B13R2.669 C=Cc1ccc2c(c1)C(=O)NC2 271570a_100011290941_100010171230 [0,2,0,1,0,0|0,0,1]=4 25577 B13R2.669 C=Cc1ccc2c(c1)C(=O)OC2 271570a_100011290941_100000693025 [0,2,0,1,0,0|0,0,1]=4 25578 B13R2.669 CNc1ccc2onc(c2c1)C 34a_200000044492_200000210301 [0,2,0,1,0,0|0,0,1]=4 25579 B13R2.669 COc1ccc2[nH]cc(c2c1)C 34a_100000131216_200000210301 [0,2,0,1,0,0|1,0,0]=4 25580 B13R2.669 COc1ccc2c(c1)C(=O)CC2 34a_100009827925_200000210301 [0,2,0,1,0,0|0,0,0]=3 25581 B13R2.669 COc1ccc2c(c1)C(=O)CC2 7a_100009827925_200000210301 [0,2,0,1,0,0|0,0,0]=3 25582 B13R2.669 COc1ccc2c(c1)C(=O)NC2 34a_100000087830_200000210301 [0,2,0,1,0,0|0,0,0]=3 25583 B13R2.669 CSc1ccc2[nH][nH]c(=O)c2c1 62a_200000210301_100012353726 [0,2,0,1,0,0|1,0,0]=4 25584 B13R2.669 CSc1ccc2[nH]cc(c2c1)C 62a_200000210301_100009816687 [0,2,0,1,0,0|1,0,0]=4 25585 B13R2.669 CSc1ccc2[nH]nc(c2c1)C 62a_200000210301_100102524909 [0,2,0,1,0,0|1,0,0]=4 25586 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 62a_100000759401_200000210301 [0,2,0,1,0,0|0,0,0]=3 25587 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 62a_200000210301_100000759401 [0,2,0,1,0,0|0,0,0]=3 25588 B13R2.669 CSc1ccc2c(c1)C(=O)CO2 62a_200000210301_100000752586 [0,2,0,1,0,0|0,0,0]=3 25589 B13R2.669 CSc1ccc2c(c1)C(=O)NC2 62a_100000688121_200000210301 [0,2,0,1,0,0|0,0,0]=3 25590 B13R2.669 CSc1ccc2c(c1)C(=O)NC2 62a_200000210301_100000688121 [0,2,0,1,0,0|0,0,0]=3 25591 B13R2.669 CSc1ccc2c(c1)C(=O)OC2 62a_100000693025_200000210301 [0,2,0,1,0,0|0,0,0]=3 25592 B13R2.669 CSc1ccc2c(n1)C(=O)CC2 62a_100000701527_200000210301 [0,2,0,1,0,0|1,0,0]=4 25593 B13R2.669 CSc1ccc2c(n1)C(=O)CC2 62a_200000210301_100000701527 [0,2,0,1,0,0|1,0,0]=4 25594 B13R2.669 CSc1ccc2o[nH]c(=O)c2c1 62a_200000210301_100000732257 [0,2,0,1,0,0|1,0,0]=4 25595 B13R2.669 CSc1ccc2occ(c2c1)C 62a_200000210301_100000728893 [0,2,0,1,0,0|0,0,1]=4 25596 B13R2.669 CSc1ccc2onc(c2c1)C 62a_100010196875_200000210301 [0,2,0,1,0,0|0,0,1]=4 25597 B13R2.669 CSc1ccc2onc(c2c1)C 62a_200000210301_100010196875 [0,2,0,1,0,0|0,0,1]=4 25598 B13R2.669 CSc1ccc2scc(c2c1)C 62a_200000210301_100009814196 [0,2,0,1,0,0|0,1,0]=4 25599 B13R2.669 CSc1cnc2c(c1)C(=O)CC2 62a_100010174022_200000210301 [0,2,0,1,0,0|1,0,0]=4 25600 B13R2.669 CSc1cnc2c(c1)C(=O)CC2 62a_200000210301_100010174022 [0,2,0,1,0,0|1,0,0]=4 25601 B13R2.669 Cc1c[nH]c2c1cc(cc2)O[13CH3] 34a_100000131216_200025704644 [0,2,0,1,0,0|1,0,0]=4 25602 B13R2.669 Cc1c[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100009816687 [0,2,0,1,0,0|1,0,0]=4 25603 B13R2.669 Cc1coc2c1cc(cc2)S[13CH3] 62a_200025704644_100000728893 [0,2,0,1,0,0|0,0,1]=4 25604 B13R2.669 Cc1csc2c1cc(cc2)S[13CH3] 62a_200025704644_100009814196 [0,2,0,1,0,0|0,1,0]=4 25605 B13R2.669 Cc1n[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100102524909 [0,2,0,1,0,0|1,0,0]=4 25606 B13R2.669 Cc1noc2c1cc(cc2)N[13CH3] 34a_200000044492_200025704644 [0,2,0,1,0,0|0,0,1]=4 25607 B13R2.669 Cc1noc2c1cc(cc2)S[13CH3] 62a_100010196875_200025704644 [0,2,0,1,0,0|0,0,1]=4 25608 B13R2.669 Cc1noc2c1cc(cc2)S[13CH3] 62a_200025704644_100010196875 [0,2,0,1,0,0|0,0,1]=4 25609 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)CC2 34a_100009827925_200025704644 [0,2,0,1,0,0|0,0,0]=3 25610 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)CC2 7a_100009827925_200025704644 [0,2,0,1,0,0|0,0,0]=3 25611 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)NC2 34a_100000087830_200025704644 [0,2,0,1,0,0|0,0,0]=3 25612 B13R2.669 [13CH3]Sc1ccc2[nH][nH]c(=O)c2c1 62a_200025704644_100012353726 [0,2,0,1,0,0|1,0,0]=4 25613 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CC2 62a_100000759401_200025704644 [0,2,0,1,0,0|0,0,0]=3 25614 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CC2 62a_200025704644_100000759401 [0,2,0,1,0,0|0,0,0]=3 25615 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CO2 62a_200025704644_100000752586 [0,2,0,1,0,0|0,0,0]=3 25616 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)NC2 62a_100000688121_200025704644 [0,2,0,1,0,0|0,0,0]=3 25617 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)NC2 62a_200025704644_100000688121 [0,2,0,1,0,0|0,0,0]=3 25618 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)OC2 62a_100000693025_200025704644 [0,2,0,1,0,0|0,0,0]=3 25619 B13R2.669 [13CH3]Sc1ccc2c(n1)C(=O)CC2 62a_100000701527_200025704644 [0,2,0,1,0,0|1,0,0]=4 25620 B13R2.669 [13CH3]Sc1ccc2c(n1)C(=O)CC2 62a_200025704644_100000701527 [0,2,0,1,0,0|1,0,0]=4 25621 B13R2.669 [13CH3]Sc1ccc2o[nH]c(=O)c2c1 62a_200025704644_100000732257 [0,2,0,1,0,0|1,0,0]=4 25622 B13R2.669 [13CH3]Sc1cnc2c(c1)C(=O)CC2 62a_100010174022_200025704644 [0,2,0,1,0,0|1,0,0]=4 25623 B13R2.669 [13CH3]Sc1cnc2c(c1)C(=O)CC2 62a_200025704644_100010174022 [0,2,0,1,0,0|1,0,0]=4 25624 B13R2.5569 C=C(C)c1cccc2c1CC=C2 271570a_100000694244_100009844718 [0,2,0,1,0,0|1,0,0]=4 25625 B13R2.5569 C=C(C)c1cccc2c1CCC2 271570a_100000694244_100010343934 [0,2,0,1,0,0|1,0,0]=4 25626 B13R2.5569 C=C(C)c1cccc2c1CCN2 271570a_100000694244_100009817896 [0,2,0,1,0,0|1,0,0]=4 25627 B13R2.5569 C=C(C)c1cccc2c1CCO2 271570a_100000694244_100009819624 [0,2,0,1,0,0|1,0,0]=4 25628 B13R2.5569 C=C(C)c1cccc2c1CNC2 271570a_100000694244_100000703859 [0,2,0,1,0,0|1,0,0]=4 25629 B13R2.5569 C=C(C)c1cccc2c1COC2 271570a_100000694244_100010384907 [0,2,0,1,0,0|1,0,0]=4 25630 B13R2.5569 C=C(C)c1cccc2c1NCC2 271570a_100000694244_100016995435 [0,2,0,1,0,0|1,0,0]=4 25631 B13R2.5569 C=C(C)c1cccc2c1OCC2 271570a_100000694244_100009818991 [0,2,0,1,0,0|1,0,0]=4 25632 B13R2.5569 C=C(C)c1cccc2c1OCO2 271570a_100000694244_100009814252 [0,2,0,1,0,0|1,0,0]=4 25633 B13R2.5569 CC(=O)c1cccc2c1CCC2 1458a_100000051556_200000210301 [0,2,0,1,0,0|0,0,0]=3 25634 B13R2.5569 CC(=O)c1cccc2c1OCC2 1458a_100011216994_200000210301 [0,2,0,1,0,0|0,0,0]=3 25635 B13R2.5569 CC(=O)c1cccc2c1OCO2 1458a_100000048783_200000210301 [0,2,0,1,0,0|0,0,0]=3 25636 B13R2.5569 CC(=O)c1cccc2c1[nH]cc2 1458a_100000027293_200000210301 [0,2,0,1,0,0|0,0,1]=4 25637 B13R2.5569 CC(=O)c1cccc2c1[nH]nc2 1458a_100000030479_200000210301 [0,2,0,1,0,0|0,0,1]=4 25638 B13R2.5569 CC(=O)c1cccc2c1cc[nH]2 1458a_100000740066_200000210301 [0,2,0,1,0,0|0,0,1]=4 25639 B13R2.5569 CC(=O)c1cccc2c1cco2 1458a_100000045549_200000210301 [0,2,0,1,0,0|0,0,1]=4 25640 B13R2.5569 CC(=O)c1cccc2c1ccs2 1458a_100000046219_200000210301 [0,2,0,1,0,0|0,0,1]=4 25641 B13R2.5569 CC(=O)c1cccc2c1cn[nH]2 1458a_100000736194_200000210301 [0,2,0,1,0,0|0,0,1]=4 25642 B13R2.5569 CC(=O)c1cccc2c1nc[nH]2 1458a_100000691283_200000210301 [0,2,0,1,0,0|0,0,1]=4 25643 B13R2.5569 CC(=O)c1cccc2c1nco2 1458a_100012186847_200000210301 [0,2,0,1,0,0|0,0,1]=4 25644 B13R2.5569 CC(=O)c1cccc2c1nsn2 1458a_200000067701_200000210301 [0,2,0,1,0,0|1,0,0]=4 25645 B13R2.5569 CC(=O)c1cccc2c1occ2 1458a_100000098497_200000210301 [0,2,0,1,0,0|0,0,1]=4 25646 B13R2.5569 CC(=O)c1cccc2c1ocn2 1458a_100012186845_200000210301 [0,2,0,1,0,0|0,0,1]=4 25647 B13R2.5569 CC(=O)c1cccc2c1scc2 1458a_100000766736_200000210301 [0,2,0,1,0,0|0,0,1]=4 25648 B13R2.5569 CC(=O)c1cccc2c1scn2 1458a_100009859901_200000210301 [0,2,0,1,0,0|0,0,1]=4 25649 B13R2.5569 [13CH3]C(=O)c1cccc2c1CCC2 1458a_100000051556_200025704644 [0,2,0,1,0,0|0,0,0]=3 25650 B13R2.5569 [13CH3]C(=O)c1cccc2c1OCC2 1458a_100011216994_200025704644 [0,2,0,1,0,0|0,0,0]=3 25651 B13R2.5569 [13CH3]C(=O)c1cccc2c1OCO2 1458a_100000048783_200025704644 [0,2,0,1,0,0|0,0,0]=3 25652 B13R2.5569 [13CH3]C(=O)c1cccc2c1[nH]cc2 1458a_100000027293_200025704644 [0,2,0,1,0,0|0,0,1]=4 25653 B13R2.5569 [13CH3]C(=O)c1cccc2c1[nH]nc2 1458a_100000030479_200025704644 [0,2,0,1,0,0|0,0,1]=4 25654 B13R2.5569 [13CH3]C(=O)c1cccc2c1cc[nH]2 1458a_100000740066_200025704644 [0,2,0,1,0,0|0,0,1]=4 25655 B13R2.5569 [13CH3]C(=O)c1cccc2c1cco2 1458a_100000045549_200025704644 [0,2,0,1,0,0|0,0,1]=4 25656 B13R2.5569 [13CH3]C(=O)c1cccc2c1ccs2 1458a_100000046219_200025704644 [0,2,0,1,0,0|0,0,1]=4 25657 B13R2.5569 [13CH3]C(=O)c1cccc2c1cn[nH]2 1458a_100000736194_200025704644 [0,2,0,1,0,0|0,0,1]=4 25658 B13R2.5569 [13CH3]C(=O)c1cccc2c1nc[nH]2 1458a_100000691283_200025704644 [0,2,0,1,0,0|0,0,1]=4 25659 B13R2.5569 [13CH3]C(=O)c1cccc2c1nco2 1458a_100012186847_200025704644 [0,2,0,1,0,0|0,0,1]=4 25660 B13R2.5569 [13CH3]C(=O)c1cccc2c1nsn2 1458a_200000067701_200025704644 [0,2,0,1,0,0|1,0,0]=4 25661 B13R2.5569 [13CH3]C(=O)c1cccc2c1occ2 1458a_100000098497_200025704644 [0,2,0,1,0,0|0,0,1]=4 25662 B13R2.5569 [13CH3]C(=O)c1cccc2c1ocn2 1458a_100012186845_200025704644 [0,2,0,1,0,0|0,0,1]=4 25663 B13R2.5569 [13CH3]C(=O)c1cccc2c1scc2 1458a_100000766736_200025704644 [0,2,0,1,0,0|0,0,1]=4 25664 B13R2.5569 [13CH3]C(=O)c1cccc2c1scn2 1458a_100009859901_200025704644 [0,2,0,1,0,0|0,0,1]=4 25665 B13R2.429 C=C(C)c1cccc(c1)C2CC2 271570a_100000694244_100009816567 [0,2,0,1,0,0|1,0,0]=4 25666 B13R2.429 C=C(C)c1cccc(c1)C2CC2 271570a_100011220607_100012123953 [0,2,0,1,0,0|1,0,0]=4 25667 B13R2.429 CC(=O)c1cc(ccn1)C2CC2 271570a_100011220607_100000709912 [0,2,0,1,0,0|1,0,0]=4 25668 B13R2.429 CC(=O)c1cccc(c1)C2CC2 1458a_100011260452_200000210301 [0,2,0,1,0,0|0,0,0]=3 25669 B13R2.429 CC(=O)c1cccc(c1)C2CC2 271570a_100011220607_100000210093 [0,2,0,1,0,0|0,0,0]=3 25670 B13R2.429 CC(=O)c1cccc(n1)C2CC2 271570a_100011220607_100009816502 [0,2,0,1,0,0|1,0,0]=4 25671 B13R2.429 CC(=O)c1ccnc(c1)C2CC2 271570a_100011220607_100000685609 [0,2,0,1,0,0|1,0,0]=4 25672 B13R2.429 CC(=O)c1cncc(c1)C2CC2 271570a_100011220607_100011216243 [0,2,0,1,0,0|1,0,0]=4 25673 B13R2.429 CS(=O)c1cccc(c1)C2CC2 271570a_100011220607_100009816267 [0,2,0,1,0,0|1,0,0]=4 25674 B13R2.429 NC(=O)c1cccc(c1)C2CC2 271570a_100011220607_100000162208 [0,2,0,1,0,0|1,0,0]=4 25675 B13R2.429 [13CH3]C(=O)c1cccc(c1)C2CC2 1458a_100011260452_200025704644 [0,2,0,1,0,0|0,0,0]=3 25676 B13R1.149 C=C(C)C=NNc1cccc(c1)C 4a_100000681630_100000210575 [0,0,0,0,0,3|1,0,0]=4 25677 B13R1.149 C=C(C)CCNc1cccc(c1)C 2230a_100000188690_100000730704 [0,0,0,0,0,3|1,0,0]=4 25678 B13R1.149 C=C(C)CCNc1cccc(c1)C 34a_100000188690_100000730704 [0,0,0,0,0,3|1,0,0]=4 25679 B13R1.149 C=C(C)CCOc1cccc(c1)C 34a_100000210337_100000730704 [0,0,0,0,0,3|1,0,0]=4 25680 B13R1.149 C=C(C)CCOc1cccc(c1)C 7a_100000210337_100000730704 [0,0,0,0,0,3|1,0,0]=4 25681 B13R1.149 C=C(C)CCSc1cccc(c1)C 62a_100000730704_100011215228 [0,0,0,0,0,3|1,0,0]=4 25682 B13R1.149 C=C(C)CCSc1cccc(c1)C 62a_100011215228_100000730704 [0,0,0,0,0,3|1,0,0]=4 25683 B13R1.149 C=C(C)CNCc1cccc(c1)C 2230a_100000185548_100000748629 [0,0,0,0,0,3|1,0,0]=4 25684 B13R1.149 C=C(C)CNCc1cccc(c1)C 34a_100000185548_100000748629 [0,0,0,0,0,3|1,0,0]=4 25685 B13R1.149 C=C(C)COCc1cccc(c1)C 34a_100000210245_100000211840 [0,0,0,0,0,3|1,0,0]=4 25686 B13R1.149 C=C(C)COCc1cccc(c1)C 34a_100011217746_100000748629 [0,0,0,0,0,3|1,0,0]=4 25687 B13R1.149 C=C(C)COCc1cccc(c1)C 7a_100011217746_100000748629 [0,0,0,0,0,3|1,0,0]=4 25688 B13R1.149 C=C(C)CSCc1cccc(c1)C 62a_100000211840_100000211660 [0,0,0,0,0,3|1,0,0]=4 25689 B13R1.149 C=C(C)CSCc1cccc(c1)C 62a_100000748629_100000211840 [0,0,0,0,0,3|1,0,0]=4 25690 B13R1.149 CC(=CCNc1cccc(c1)C)C 2230a_100000188690_100000761012 [0,0,0,0,0,3|1,0,0]=4 25691 B13R1.149 CC(=CCNc1cccc(c1)C)C 34a_100000188690_100000761012 [0,0,0,0,0,3|1,0,0]=4 25692 B13R1.149 CC(=CCOc1cccc(c1)C)C 34a_100000210337_100000761012 [0,0,0,0,0,3|1,0,0]=4 25693 B13R1.149 CC(=CCOc1cccc(c1)C)C 7a_100000210337_100000761012 [0,0,0,0,0,3|1,0,0]=4 25694 B13R1.149 CC(=CCSc1cccc(c1)C)C 62a_100000761012_100011215228 [0,0,0,0,0,3|1,0,0]=4 25695 B13R1.149 CC(=CCSc1cccc(c1)C)C 62a_100011215228_100000761012 [0,0,0,0,0,3|1,0,0]=4 25696 B13R1.149 CC(=O)CC#Cc1cccc(c1)Br 1458a_100000070787_100010706776 [0,0,0,0,0,3|1,0,0]=4 25697 B13R1.149 CC(=O)CC#Cc1cccc(c1)F 1458a_100000070787_100010402994 [0,0,0,0,0,3|1,0,0]=4 25698 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000070787_100011713683 [0,0,0,0,0,3|1,0,0]=4 25699 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000685939_200000210301 [0,0,0,0,0,3|1,0,0]=4 25700 B13R1.149 CC(=O)CCCc1cccc(c1)F 1458a_100000070787_200000698031 [0,0,0,0,0,3|1,0,0]=4 25701 B13R1.149 CC(=O)CCOc1cccc(c1)Br 1458a_100000070787_100000183150 [0,0,0,0,0,3|1,0,0]=4 25702 B13R1.149 CC(=O)CCOc1cccc(c1)Br 1458a_100000183437_200000210301 [0,0,0,0,0,3|1,0,0]=4 25703 B13R1.149 CC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000053229 [0,0,0,0,0,3|1,0,0]=4 25704 B13R1.149 CC(=O)CCOc1cccc(c1)C 1458a_100000182325_200000210301 [0,0,0,0,0,3|0,0,0]=3 25705 B13R1.149 CC(=O)CCOc1cccc(c1)C 7a_100000210337_100000053229 [0,0,0,0,0,3|0,0,0]=3 25706 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 1458a_100000070787_100000181161 [0,0,0,0,0,3|1,0,0]=4 25707 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 1458a_100000738917_200000210301 [0,0,0,0,0,3|1,0,0]=4 25708 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000053229 [0,0,0,0,0,3|1,0,0]=4 25709 B13R1.149 CC(=O)CCOc1cccc(c1)F 1458a_100000070787_100000739188 [0,0,0,0,0,3|1,0,0]=4 25710 B13R1.149 CC(=O)CCOc1cccc(c1)F 1458a_100000737089_200000210301 [0,0,0,0,0,3|1,0,0]=4 25711 B13R1.149 CC(=O)CCOc1cccc(c1)F 7a_100000210426_100000053229 [0,0,0,0,0,3|1,0,0]=4 25712 B13R1.149 CC(=O)CCOc1cccc(c1)I 7a_100000211634_100000053229 [0,0,0,0,0,3|1,0,0]=4 25713 B13R1.149 CC(=O)CCOc1cncc(c1)C 7a_100011830280_100000053229 [0,0,0,0,0,3|1,0,0]=4 25714 B13R1.149 CC(=O)CCSc1cc(ccn1)C 62a_100000053229_100000750283 [0,0,0,0,0,3|1,0,0]=4 25715 B13R1.149 CC(=O)CCSc1cc(ccn1)C 62a_100000750283_100000053229 [0,0,0,0,0,3|1,0,0]=4 25716 B13R1.149 CC(=O)CCSc1ccc[n+](c1)C 62a_100000053229_100009996589 [0,0,0,0,0,3|1,0,0]=4 25717 B13R1.149 CC(=O)CCSc1ccc[n+](c1)C 62a_100009996589_100000053229 [0,0,0,0,0,3|1,0,0]=4 25718 B13R1.149 CC(=O)CCSc1cccc(c1)Br 62a_100000053229_100000691529 [0,0,0,0,0,3|1,0,0]=4 25719 B13R1.149 CC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000053229 [0,0,0,0,0,3|1,0,0]=4 25720 B13R1.149 CC(=O)CCSc1cccc(c1)C 62a_100000053229_100011215228 [0,0,0,0,0,3|0,0,0]=3 25721 B13R1.149 CC(=O)CCSc1cccc(c1)C 62a_100011215228_100000053229 [0,0,0,0,0,3|0,0,0]=3 25722 B13R1.149 CC(=O)CCSc1cccc(c1)Cl 62a_100000053229_100000699651 [0,0,0,0,0,3|1,0,0]=4 25723 B13R1.149 CC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000053229 [0,0,0,0,0,3|1,0,0]=4 25724 B13R1.149 CC(=O)CCSc1cccc(c1)F 62a_100000053229_100000685547 [0,0,0,0,0,3|1,0,0]=4 25725 B13R1.149 CC(=O)CCSc1cccc(c1)F 62a_100000685547_100000053229 [0,0,0,0,0,3|1,0,0]=4 25726 B13R1.149 CC(=O)CCSc1cccc(c1)N 62a_100000053229_100000210019 [0,0,0,0,0,3|1,0,0]=4 25727 B13R1.149 CC(=O)CCSc1cccc(c1)N 62a_100000210019_100000053229 [0,0,0,0,0,3|1,0,0]=4 25728 B13R1.149 CC(=O)CCSc1cccc(c1)O 62a_100000053229_100000211634 [0,0,0,0,0,3|1,0,0]=4 25729 B13R1.149 CC(=O)CCSc1cccc(c1)[S] 62a_100000053229_114929384022 [0,0,0,0,0,3|1,0,0]=4 25730 B13R1.149 CC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000053229 [0,0,0,0,0,3|1,0,0]=4 25731 B13R1.149 CC(=O)CCSc1cccc(n1)C 62a_100000053229_100000742759 [0,0,0,0,0,3|1,0,0]=4 25732 B13R1.149 CC(=O)CCSc1cccc(n1)C 62a_100000742759_100000053229 [0,0,0,0,0,3|1,0,0]=4 25733 B13R1.149 CC(=O)CCSc1ccnc(c1)C 62a_100000053229_100000758586 [0,0,0,0,0,3|1,0,0]=4 25734 B13R1.149 CC(=O)CCSc1ccnc(c1)C 62a_100000758586_100000053229 [0,0,0,0,0,3|1,0,0]=4 25735 B13R1.149 CC(=O)CCSc1cncc(c1)C 62a_100000053229_100000760492 [0,0,0,0,0,3|1,0,0]=4 25736 B13R1.149 CC(=O)CCSc1cncc(c1)C 62a_100000760492_100000053229 [0,0,0,0,0,3|1,0,0]=4 25737 B13R1.149 CC(=O)COCc1cc(ccn1)C 34a_100000211253_100000718516 [0,0,0,0,0,3|1,0,0]=4 25738 B13R1.149 CC(=O)COCc1cccc(c1)Br 34a_100000211253_100000698116 [0,0,0,0,0,3|1,0,0]=4 25739 B13R1.149 CC(=O)COCc1cccc(c1)C 34a_100000211253_100000211840 [0,0,0,0,0,3|0,0,0]=3 25740 B13R1.149 CC(=O)COCc1cccc(c1)Cl 34a_100000211253_100000187163 [0,0,0,0,0,3|1,0,0]=4 25741 B13R1.149 CC(=O)COCc1cccc(c1)F 34a_100000211253_100000187166 [0,0,0,0,0,3|1,0,0]=4 25742 B13R1.149 CC(=O)COCc1cccc(c1)I 34a_100000211253_100011218688 [0,0,0,0,0,3|1,0,0]=4 25743 B13R1.149 CC(=O)COCc1cccc(c1)O 34a_100000211253_100011660834 [0,0,0,0,0,3|1,0,0]=4 25744 B13R1.149 CC(=O)COCc1cccc(n1)C 34a_100000211253_100000757606 [0,0,0,0,0,3|1,0,0]=4 25745 B13R1.149 CC(=O)COCc1ccnc(c1)C 34a_100000211253_200020672517 [0,0,0,0,0,3|1,0,0]=4 25746 B13R1.149 CC(=O)COCc1cncc(c1)C 34a_100000211253_100000716715 [0,0,0,0,0,3|1,0,0]=4 25747 B13R1.149 CC(=O)CSCc1cccc(c1)Cl 1458a_100000150269_200000210301 [0,0,0,0,0,3|1,0,0]=4 25748 B13R1.149 CC(=O)NCCc1cccc(c1)Br 11a_100011207229_100015343762 [0,0,0,0,0,3|1,0,0]=4 25749 B13R1.149 CC(=O)NCCc1cccc(c1)Br 1626a_100011207229_100015343762 [0,0,0,0,0,3|1,0,0]=4 25750 B13R1.149 CC(=O)NCCc1cccc(c1)Br 240690a_100011207229_100015343762 [0,0,0,0,0,3|1,0,0]=4 25751 B13R1.149 CC(=O)NCCc1cccc(c1)Br 527a_100011207229_100103153847 [0,0,0,0,0,3|1,0,0]=4 25752 B13R1.149 CC(=O)NCCc1cccc(c1)C 11a_100000749837_100015343762 [0,0,0,0,0,3|0,0,0]=3 25753 B13R1.149 CC(=O)NCCc1cccc(c1)C 1626a_100000749837_100015343762 [0,0,0,0,0,3|0,0,0]=3 25754 B13R1.149 CC(=O)NCCc1cccc(c1)C 240690a_100000749837_100015343762 [0,0,0,0,0,3|0,0,0]=3 25755 B13R1.149 CC(=O)NCCc1cccc(c1)C 527a_100000749837_100103153847 [0,0,0,0,0,3|0,0,0]=3 25756 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 11a_100000185263_100015343762 [0,0,0,0,0,3|1,0,0]=4 25757 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 1626a_100000185263_100015343762 [0,0,0,0,0,3|1,0,0]=4 25758 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 240690a_100000185263_100015343762 [0,0,0,0,0,3|1,0,0]=4 25759 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 527a_100000185263_100103153847 [0,0,0,0,0,3|1,0,0]=4 25760 B13R1.149 CC(=O)NCCc1cccc(c1)F 11a_100000205154_100015343762 [0,0,0,0,0,3|1,0,0]=4 25761 B13R1.149 CC(=O)NCCc1cccc(c1)F 1626a_100000205154_100015343762 [0,0,0,0,0,3|1,0,0]=4 25762 B13R1.149 CC(=O)NCCc1cccc(c1)F 240690a_100000205154_100015343762 [0,0,0,0,0,3|1,0,0]=4 25763 B13R1.149 CC(=O)NCCc1cccc(c1)F 527a_100000205154_100103153847 [0,0,0,0,0,3|1,0,0]=4 25764 B13R1.149 CC(=O)NCCc1cccc(c1)O 240690a_100000747277_100015343762 [0,0,0,0,0,3|1,0,0]=4 25765 B13R1.149 CC(=O)NCCc1cccc(c1)O 527a_100000747277_100103153847 [0,0,0,0,0,3|1,0,0]=4 25766 B13R1.149 CC(=O)NCCc1cccc(n1)C 11a_100011824523_100015343762 [0,0,0,0,0,3|1,0,0]=4 25767 B13R1.149 CC(=O)NCCc1cccc(n1)C 1626a_100011824523_100015343762 [0,0,0,0,0,3|1,0,0]=4 25768 B13R1.149 CC(=O)NCCc1cccc(n1)C 240690a_100011824523_100015343762 [0,0,0,0,0,3|1,0,0]=4 25769 B13R1.149 CC(=O)NCCc1cccc(n1)C 527a_100011824523_100103153847 [0,0,0,0,0,3|1,0,0]=4 25770 B13R1.149 CC(=O)NN=Cc1cc(ccn1)C 4a_100000189765_100011361488 [0,0,0,0,0,3|1,0,0]=4 25771 B13R1.149 CC(=O)NN=Cc1cccc(c1)Br 4a_100000189765_100000210085 [0,0,0,0,0,3|1,0,0]=4 25772 B13R1.149 CC(=O)NN=Cc1cccc(c1)C 4a_100000189765_100000211157 [0,0,0,0,0,3|0,0,0]=3 25773 B13R1.149 CC(=O)NN=Cc1cccc(c1)Cl 4a_100000189765_100000210801 [0,0,0,0,0,3|1,0,0]=4 25774 B13R1.149 CC(=O)NN=Cc1cccc(c1)F 4a_100000189765_100000210812 [0,0,0,0,0,3|1,0,0]=4 25775 B13R1.149 CC(=O)NN=Cc1cccc(c1)I 4a_100000189765_100000014684 [0,0,0,0,0,3|1,0,0]=4 25776 B13R1.149 CC(=O)NN=Cc1cccc(c1)O 4a_100000189765_100000188321 [0,0,0,0,0,3|1,0,0]=4 25777 B13R1.149 CC(=O)NN=Cc1cccc(n1)C 4a_100000189765_100011215050 [0,0,0,0,0,3|1,0,0]=4 25778 B13R1.149 CC(=O)NN=Cc1ccnc(c1)C 4a_100000189765_100011361630 [0,0,0,0,0,3|1,0,0]=4 25779 B13R1.149 CC(=O)NN=Cc1cncc(c1)C 4a_100000189765_100011998712 [0,0,0,0,0,3|1,0,0]=4 25780 B13R1.149 CC(=O)NNCc1cccc(c1)Br 22a_100000686200_100000070787 [0,0,0,0,0,3|1,0,0]=4 25781 B13R1.149 CC(=O)NNCc1cccc(c1)C 22a_100000689898_100000070787 [0,0,0,0,0,3|0,0,0]=3 25782 B13R1.149 CC(=O)NNCc1cccc(c1)Cl 22a_100000685877_100000070787 [0,0,0,0,0,3|1,0,0]=4 25783 B13R1.149 CC(=O)NNCc1cccc(c1)F 22a_100016993953_100000070787 [0,0,0,0,0,3|1,0,0]=4 25784 B13R1.149 CC(=O)NNCc1cccc(c1)O 22a_100000008902_100000070787 [0,0,0,0,0,3|1,0,0]=4 25785 B13R1.149 CC(=O)OCNc1cccc(c1)Br 34a_100000210019_100009813279 [0,0,0,0,0,3|1,0,0]=4 25786 B13R1.149 CC(=O)OCNc1cccc(c1)C 34a_100000188690_100009813279 [0,0,0,0,0,3|0,0,0]=3 25787 B13R1.149 CC(=O)OCNc1cccc(c1)Cl 34a_100000185859_100009813279 [0,0,0,0,0,3|1,0,0]=4 25788 B13R1.149 CC(=O)OCNc1cccc(c1)F 34a_100000210047_100009813279 [0,0,0,0,0,3|1,0,0]=4 25789 B13R1.149 CC(=O)OCNc1cccc(c1)I 34a_100000211102_100009813279 [0,0,0,0,0,3|1,0,0]=4 25790 B13R1.149 CC(=O)OCNc1cccc(c1)O 34a_100000210217_100009813279 [0,0,0,0,0,3|1,0,0]=4 25791 B13R1.149 CC(=O)OCOc1cccc(c1)Br 34a_100000210342_100009813279 [0,0,0,0,0,3|1,0,0]=4 25792 B13R1.149 CC(=O)OCOc1cccc(c1)C 34a_100000210337_100009813279 [0,0,0,0,0,3|0,0,0]=3 25793 B13R1.149 CC(=O)OCOc1cccc(c1)Cl 34a_100000210295_100009813279 [0,0,0,0,0,3|1,0,0]=4 25794 B13R1.149 CC(=O)OCOc1cccc(c1)F 34a_100000210426_100009813279 [0,0,0,0,0,3|1,0,0]=4 25795 B13R1.149 CC(=O)OCOc1cccc(c1)I 34a_100000211634_100009813279 [0,0,0,0,0,3|1,0,0]=4 25796 B13R1.149 CC(=O)OCOc1cccc(c1)N 34a_100000210217_100009813279 [0,0,0,0,0,3|1,0,0]=4 25797 B13R1.149 CC(=O)OCOc1ccnc(c1)C 34a_100000688365_100009813279 [0,0,0,0,0,3|1,0,0]=4 25798 B13R1.149 CC(=O)OCOc1cncc(c1)C 34a_100011830280_100009813279 [0,0,0,0,0,3|1,0,0]=4 25799 B13R1.149 CC(=O)OCSc1cc(ccn1)C 62a_100000076356_100000750283 [0,0,0,0,0,3|1,0,0]=4 25800 B13R1.149 CC(=O)OCSc1cc(ccn1)C 62a_100000750283_100000076356 [0,0,0,0,0,3|1,0,0]=4 25801 B13R1.149 CC(=O)OCSc1ccc[n+](c1)C 62a_100000076356_100009996589 [0,0,0,0,0,3|1,0,0]=4 25802 B13R1.149 CC(=O)OCSc1ccc[n+](c1)C 62a_100009996589_100000076356 [0,0,0,0,0,3|1,0,0]=4 25803 B13R1.149 CC(=O)OCSc1cccc(c1)Br 62a_100000076356_100000691529 [0,0,0,0,0,3|1,0,0]=4 25804 B13R1.149 CC(=O)OCSc1cccc(c1)Br 62a_100000691529_100000076356 [0,0,0,0,0,3|1,0,0]=4 25805 B13R1.149 CC(=O)OCSc1cccc(c1)C 62a_100000076356_100011215228 [0,0,0,0,0,3|0,0,0]=3 25806 B13R1.149 CC(=O)OCSc1cccc(c1)C 62a_100011215228_100000076356 [0,0,0,0,0,3|0,0,0]=3 25807 B13R1.149 CC(=O)OCSc1cccc(c1)Cl 62a_100000076356_100000699651 [0,0,0,0,0,3|1,0,0]=4 25808 B13R1.149 CC(=O)OCSc1cccc(c1)Cl 62a_100000699651_100000076356 [0,0,0,0,0,3|1,0,0]=4 25809 B13R1.149 CC(=O)OCSc1cccc(c1)F 62a_100000076356_100000685547 [0,0,0,0,0,3|1,0,0]=4 25810 B13R1.149 CC(=O)OCSc1cccc(c1)F 62a_100000685547_100000076356 [0,0,0,0,0,3|1,0,0]=4 25811 B13R1.149 CC(=O)OCSc1cccc(c1)N 62a_100000076356_100000210019 [0,0,0,0,0,3|1,0,0]=4 25812 B13R1.149 CC(=O)OCSc1cccc(c1)N 62a_100000210019_100000076356 [0,0,0,0,0,3|1,0,0]=4 25813 B13R1.149 CC(=O)OCSc1cccc(c1)O 62a_100000076356_100000211634 [0,0,0,0,0,3|1,0,0]=4 25814 B13R1.149 CC(=O)OCSc1cccc(c1)[S] 62a_100000076356_114929384022 [0,0,0,0,0,3|1,0,0]=4 25815 B13R1.149 CC(=O)OCSc1cccc(c1)[S] 62a_114929384022_100000076356 [0,0,0,0,0,3|1,0,0]=4 25816 B13R1.149 CC(=O)OCSc1cccc(n1)C 62a_100000076356_100000742759 [0,0,0,0,0,3|1,0,0]=4 25817 B13R1.149 CC(=O)OCSc1cccc(n1)C 62a_100000742759_100000076356 [0,0,0,0,0,3|1,0,0]=4 25818 B13R1.149 CC(=O)OCSc1ccnc(c1)C 62a_100000076356_100000758586 [0,0,0,0,0,3|1,0,0]=4 25819 B13R1.149 CC(=O)OCSc1ccnc(c1)C 62a_100000758586_100000076356 [0,0,0,0,0,3|1,0,0]=4 25820 B13R1.149 CC(=O)OCSc1cncc(c1)C 62a_100000076356_100000760492 [0,0,0,0,0,3|1,0,0]=4 25821 B13R1.149 CC(=O)OCSc1cncc(c1)C 62a_100000760492_100000076356 [0,0,0,0,0,3|1,0,0]=4 25822 B13R1.149 Cc1cccc(c1)CNCC(=O)N 2230a_100000185548_100000747473 [0,0,0,0,0,3|1,0,0]=4 25823 B13R1.149 Cc1cccc(c1)CNCC(=O)N 2230a_100000711301_100000211840 [0,0,0,0,0,3|1,0,0]=4 25824 B13R1.149 Cc1cccc(c1)CNCC(=O)N 34a_100000185548_100000187820 [0,0,0,0,0,3|1,0,0]=4 25825 B13R1.149 Cc1cccc(c1)CNCC(=O)O 269956a_100016091260_100000005736 [0,0,0,0,0,3|1,0,0]=4 25826 B13R1.149 Cc1cccc(c1)CNCC(=O)[O-] 34a_100000185548_100020667443 [0,0,0,0,0,3|1,0,0]=4 25827 B13R1.149 Cc1cccc(c1)COCC(=O)N 34a_100011217746_100000187820 [0,0,0,0,0,3|1,0,0]=4 25828 B13R1.149 Cc1cccc(c1)COCC(=O)N 7a_100011217746_100000187820 [0,0,0,0,0,3|1,0,0]=4 25829 B13R1.149 Cc1cccc(c1)COCC(=O)[O-] 34a_100011217746_100020667443 [0,0,0,0,0,3|1,0,0]=4 25830 B13R1.149 Cc1cccc(c1)CSCC(=O)N 62a_100000211840_100000747473 [0,0,0,0,0,3|1,0,0]=4 25831 B13R1.149 Cc1cccc(c1)CSCC(=O)N 62a_100000747473_100000211840 [0,0,0,0,0,3|1,0,0]=4 25832 B13R1.149 Cc1cccc(c1)CSCC(=O)[O-] 62a_100000211840_100020667443 [0,0,0,0,0,3|1,0,0]=4 25833 B13R1.149 Cc1cccc(c1)CSCC(=O)[O-] 62a_100020667443_100000211840 [0,0,0,0,0,3|1,0,0]=4 25834 B13R1.149 Cc1cccc(c1)NCCC(=O)N 2230a_100000188690_100000744528 [0,0,0,0,0,3|1,0,0]=4 25835 B13R1.149 Cc1cccc(c1)NCCC(=O)N 34a_100000188690_100000731001 [0,0,0,0,0,3|1,0,0]=4 25836 B13R1.149 Cc1cccc(c1)OCCC(=O)N 34a_100000210337_100000731001 [0,0,0,0,0,3|1,0,0]=4 25837 B13R1.149 Cc1cccc(c1)OCCC(=O)N 7a_100000210337_100000744528 [0,0,0,0,0,3|1,0,0]=4 25838 B13R1.149 Cc1cccc(c1)OCCC(=O)[13CH3] 1458a_100000182325_200025704644 [0,0,0,0,0,3|0,0,0]=3 25839 B13R1.149 Cc1cccc(c1)SCCC(=O)N 62a_100000744528_100011215228 [0,0,0,0,0,3|1,0,0]=4 25840 B13R1.149 Cc1cccc(c1)SCCC(=O)N 62a_100011215228_100000744528 [0,0,0,0,0,3|1,0,0]=4 25841 B13R1.149 [13CH3]C(=O)CCCc1cccc(c1)Br 1458a_100000685939_200025704644 [0,0,0,0,0,3|1,0,0]=4 25842 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)Br 1458a_100000183437_200025704644 [0,0,0,0,0,3|1,0,0]=4 25843 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)Cl 1458a_100000738917_200025704644 [0,0,0,0,0,3|1,0,0]=4 25844 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)F 1458a_100000737089_200025704644 [0,0,0,0,0,3|1,0,0]=4 25845 B13R1.149 [13CH3]C(=O)CSCc1cccc(c1)Cl 1458a_100000150269_200025704644 [0,0,0,0,0,3|1,0,0]=4