0 B10R1.18 FC(F)SC1=CC=CC=C1 CS-0060568 [0,0,0,0,0,0|2,1,1]=4 1 B10R1.18 NC(=O)NC1=NC=CN=C1 CS-0062070 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.18 O=C(O)CC1=CN=CC=N1 CS-W005774 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.18 O=C(O)CC1=NC=CC=C1 CS-0096299 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 O=C([O-])CC1=CC=NN=C1 CS-0048706 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.18 O=C([O-])CC1=NC=CC=N1 CS-0048705 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.18 O=C([O-])CC1=NN=CC=C1 CS-0052212 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.8 C#CCC1=CC=CC=C1 CS-0112571 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.8 CCNC1=CC=CN=C1 CS-0089664 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.8 CNCC1=CC=CC=C1 CS-W007426 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 CNCC1=CC=CN=C1 CS-0020099 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.8 CNCC1=NC=CC=C1 CS-0038433 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.20 CC(=O)NC1=CC=C(Br)N=C1 CS-0084776 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.20 CC(=O)NC1=CC=C(Cl)N=C1 CS-0083326 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.20 CC(=O)NC1=NC=C(Br)N=C1 CS-0101953 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 CS-0084786 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.20 CC(=O)NC1=NN=C(Cl)C=C1 CS-0061074 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.20 CC(=O)OC1C=CC(=O)CO1 CS-0037618 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.20 CC(C)OC1=CC=C(Br)C=N1 CS-0038218 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 CS-0061307 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 CS-0096273 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.20 CC1=CN=C(OC(C)C)C=C1 CS-0037036 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 CS-0096271 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.20 O=C(O)CC1=CN=C(Br)C=C1 CS-0060451 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 CS-0059724 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 CS-M0672 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.36 C=C(C1=CC=CC=C1)C(C)C CS-0037106 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 CS-0112655 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 CS-0112659 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.40 CCC(=O)CC1=CC=CC=C1 CS-0112591 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.40 CNC(=O)NC1=CC=CC=C1 CS-0112589 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.40 COC(=O)CC1=CC=NN=C1 CS-0049197 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.40 COC(=O)CC1=NC=CC=N1 CS-0061881 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.40 COC(=O)CC1=NC=NC=C1 CS-0053943 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.40 Cl\C=C(\Cl)OC1=CC=CC=C1 CS-0036322 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.40 NNC(=O)CC1=NC=CC=C1 CS-0093823 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 CS-0113182 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.40 NNC(=O)NC1=CC=CC=C1 CS-0100039 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.86 CC(=O)NC1=C(Cl)C=CC=C1 CS-0084722 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 CS-0081581 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.86 CC(=O)NC1=CC=CC=C1Br CS-0089804 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.86 CC(=O)NC1=CC=CNC1=O CS-0081578 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.86 CC(=O)NC1=NC=CC=C1C CS-0092042 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.86 CC(=O)NC1=NC=CC=C1O CS-0084789 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.86 CC(=O)OC1=C(Br)N=CC=C1 CS-0051984 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.86 N=C(N)CC1=CC=CC=C1Cl CS-0038731 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.86 O=C(O)CC1=NC=CC=C1Br CS-0052285 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.86 O=C(O)CC1=NC=CC=C1O CS-0052280 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.157 CC(=O)CC1=CC=CC(N)=C1 CS-0094576 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 CS-0084783 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.157 CC(=O)NC1=CC=CC(Br)=C1 CS-0089812 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.157 CC(=O)NC1=CC=CC(Br)=N1 CS-0061071 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.157 CC(=O)NC1=CN=CC(Br)=C1 CS-0061073 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.157 CC(=O)NC1=NC=CC(Cl)=C1 CS-0084782 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.157 CC(=O)NC1=NC=NC(Cl)=C1 CS-0100029 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.157 CC(C)OC1=NC=CC(Cl)=C1 CS-0038071 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.157 CC(C)OC1=NC=CC(I)=C1 CS-0061047 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 CS-0052258 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.157 CN(C)CC1=CC=CC(N)=C1 CS-0036032 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.157 N=C(S)NC1=CC=CC(Br)=C1 CS-0037768 [0,1,0,0,0,0|2,1,0]=4 60 B11R1.157 NC(=O)NC1=CC=CC(Br)=C1 CS-0089829 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 CS-W008015 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 CS-0052262 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.157 O=C(O)CC1=CC(O)=CN=C1 CS-0106378 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.157 O=C(O)CC1=NC(F)=CC=C1 CS-0052254 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.509 C[Si](C)(C)SC1=CC=CC=C1 CS-0109797 [0,1,0,0,0,0|1,2,0]=4 66 B11R2.4 NC1CC1C2=CC=CC=C2 CS-0091206 [0,0,0,1,0,0|2,0,1]=4 67 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 CS-0049739 [0,0,0,1,0,0|2,0,1]=4 68 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CS-0012736 [0,0,0,1,0,0|2,0,1]=4 69 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 CS-0020035 [0,0,0,1,0,0|2,0,1]=4 70 B11R2.10 CC1=CC2=CC=NC=C2N1 CS-0051883 [0,0,0,1,0,0|3,0,0]=4 71 B11R2.10 CC1=NC2=C(C=CN=C2)O1 CS-0005598 [0,0,0,1,0,0|2,0,0]=3 72 B11R2.10 CC1=NC2=C(N=CC=C2)N1 CS-0081070 [0,0,0,1,0,0|3,0,0]=4 73 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 CS-0053490 [0,0,0,1,0,0|2,0,1]=4 74 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 CS-0053438 [0,0,0,1,0,0|2,0,1]=4 75 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 CS-0088486 [0,0,0,1,0,0|2,0,1]=4 76 B11R2.10 O=C1CC2=CC=NC=C2N1 CS-0052559 [0,0,0,1,0,0|2,0,0]=3 77 B11R2.10 O=C1CC2=CN=CN=C2N1 CS-0045889 [0,0,0,1,0,0|3,0,0]=4 78 B11R2.10 S=C1[N-]C2=CC=CC=C2S1 CS-0109853 [0,0,0,1,0,0|1,2,0]=4 79 B11R2.238 C1=CC=C(CC2CO2)C=C1 CS-0106157 [0,0,0,1,0,0|1,0,2]=4 80 B9R1.6 C=C(C)C1=NC=CC=C1 CS-0059949 [0,0,0,0,1,0|2,0,0]=3 81 B9R1.6 CC(=O)C1=CC=NN=C1 CS-W018948 [0,0,0,0,1,0|2,0,0]=3 82 B9R1.6 CC(O)C1=CC=CN=C1 CS-0036932 [0,0,0,0,1,0|1,0,2]=4 83 B9R1.6 CN(C)C1=NC=CC=C1 CS-0112703 [0,0,0,0,1,0|3,0,0]=4 84 B9R1.6 CN(N)C1=CC=CN=C1 CS-0089162 [0,0,0,0,1,0|3,0,0]=4 85 B9R1.6 C[C@H](O)C1=NC=CC=C1 CS-0112596 [0,0,0,0,1,0|1,0,2]=4 86 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0035271 [0,0,0,0,1,0|1,0,0]=2 87 B9R1.13 CC(=O)CC1=CC=CS1 CS-0037233 [0,0,0,0,1,0|2,0,0]=3 88 B11R1.91 NC(=O)CCC1=CC=CC=C1 CS-0037177 [0,0,0,0,0,1|2,0,0]=3 89 B11R1.91 O=C(O)C#CC1=CC=CC=N1 CS-0038414 [0,0,0,0,0,1|3,0,0]=4 90 B11R1.91 O=C(O)CCC1=CC=CC=N1 CS-0060616 [0,0,0,0,0,1|3,0,0]=4 91 B8R1.2 COC1=CC=NC=N1 CS-0082288 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.2 NCC1=CC=CC=C1 CS-0005944 [2,0,0,0,0,0|1,0,1]=4 93 B8R1.2 O=CC1=CC=NN=C1 CS-W023111 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.1 CC1=CC=C(CC=O)C=C1 CS-0019984 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.1 CCOC1=CC=C(Cl)C=N1 CS-0061649 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.1 CCOC1=CC=C(O)C=N1 CS-0090994 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.1 CCOC1=NC=C(F)C=C1 CS-0090644 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS-W019773 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.4 CC1=CC=CC=C1CC=O CS-0038162 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.4 CC1=CC=CC=C1NC=O CS-0038689 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.4 CCNC1=CC=CC=C1O CS-0061529 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.4 CCOC1=C(Cl)C=CC=N1 CS-0061644 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.4 CCOC1=C(Cl)N=CC=C1 CS-0061645 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.4 O=CCC1=CC=CC=C1Br CS-0038248 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.4 O=CCC1=CC=CC=C1Cl CS-0038107 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.4 O=CCC1=CC=CC=C1F CS-0038111 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.4 O=CNC1=CC=CC=C1Br CS-0035790 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.10 CC1=CC(CC=O)=CC=C1 CS-0038249 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.10 CCCC1=CC=CC(Br)=C1 CS-0060101 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.10 CCOC1=CC(N)=NC=C1 CS-0005491 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.10 CCOC1=CC=CC(=N)N1 CS-0061653 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.10 CCOC1=NC=CC(Cl)=C1 CS-0037856 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.10 CSCC1=CC(Br)=CC=C1 CS-0037537 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.10 O=CCC1=CC(Br)=CC=C1 CS-0038245 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.10 O=CCC1=CC(F)=CC=C1 CS-0038688 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.15 CCC(Br)C1=CC=CC=C1 CS-0037459 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.15 COC(=N)C1=CC=CC=C1 CS-0037087 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.17 C=COCC1=CC=CC=C1 CS-0049793 [1,1,0,0,0,0|0,0,1]=3 119 B10R1.17 NCCOC1=CC=NC=C1 CS-0096297 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.17 O=CCSC1=CC=CC=C1 CS-0102366 [1,1,0,0,0,0|0,1,0]=3 121 B10R1.17 O=CNCC1=CC=CC=C1 CS-0009966 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 CS-0052859 [0,1,0,0,1,0|2,0,0]=4 123 B10R1.13 CC(=O)C1=NC=C(F)C=C1 CS-0088242 [0,1,0,0,1,0|1,0,0]=3 124 B10R1.13 CC(C)C1=CC=C(S)C=C1 CS-0037685 [0,1,0,0,1,0|1,0,1]=4 125 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 CS-0109932 [0,1,0,0,1,0|0,0,2]=4 126 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS-0037689 [0,1,0,0,1,0|2,0,0]=4 127 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 CS-B0177 [0,1,0,0,1,0|1,0,1]=4 128 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS-0060230 [0,1,0,0,1,0|2,0,0]=4 129 B10R1.13 NC(=O)C1=NC=C(O)C=C1 CS-0050458 [0,1,0,0,1,0|2,0,0]=4 130 B10R1.13 O=C(O)C1=CC=C(S)C=C1 CS-W018038 [0,1,0,0,1,0|1,0,0]=3 131 B10R1.13 O=C1C=CC(C(=O)O)=CO1 CS-0001427 [0,1,0,0,1,0|2,0,0]=4 132 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 CS-0060836 [0,1,0,0,1,0|1,0,0]=3 133 B10R1.61 CC(=O)C1=CC=NC=C1N CS-0060851 [0,1,0,0,1,0|1,0,0]=3 134 B10R1.61 CC(=O)C1=NC=CC=C1C CS-0092057 [0,1,0,0,1,0|1,0,0]=3 135 B10R1.61 CC(=O)C1=NC=CC=C1Cl CS-0052888 [0,1,0,0,1,0|1,0,0]=3 136 B10R1.61 CC(=O)C1=NC=CC=C1O CS-W019613 [0,1,0,0,1,0|1,0,0]=3 137 B10R1.61 CC(=O)C1=NC=CN=C1Cl CS-0052889 [0,1,0,0,1,0|2,0,0]=4 138 B10R1.61 CC(=O)C1=NC=NC=C1C CS-0102215 [0,1,0,0,1,0|2,0,0]=4 139 B10R1.61 CC(N)C1=CC=CC=C1Br CS-0061054 [0,1,0,0,1,0|1,0,1]=4 140 B10R1.61 CC1=C(C(N)=O)C=CC=N1 CS-0061159 [0,1,0,0,1,0|2,0,0]=4 141 B10R1.61 CC1=CC=NC=C1C(N)=O CS-0061336 [0,1,0,0,1,0|2,0,0]=4 142 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br CS-0036643 [0,1,0,0,1,0|1,0,1]=4 143 B10R1.61 C[C@@H](O)C1=CC=CC=C1F CS-0085730 [0,1,0,0,1,0|0,0,2]=4 144 B10R1.61 C[C@H](O)C1=CC=CC=C1N CS-0093936 [0,1,0,0,1,0|0,0,2]=4 145 B10R1.61 NC(=O)C1=C(N)C=CN=C1 CS-W018959 [0,1,0,0,1,0|2,0,0]=4 146 B10R1.61 NC(=O)C1=CC=CN=C1Cl CS-0030384 [0,1,0,0,1,0|2,0,0]=4 147 B10R1.61 NC(=O)C1=CC=CN=C1O CS-0081575 [0,1,0,0,1,0|2,0,0]=4 148 B10R1.61 NC1=CC=CN=C1C(=O)O CS-W002358 [0,1,0,0,1,0|2,0,0]=4 149 B10R1.113 CC(=O)C1=CC(F)=NC=C1 CS-0105960 [0,1,0,0,1,0|1,0,0]=3 150 B10R1.113 CC(=O)C1=CC(N)=NC=C1 CS-W021199 [0,1,0,0,1,0|1,0,0]=3 151 B10R1.113 CC(=O)C1=NC(N)=CC=C1 CS-0104676 [0,1,0,0,1,0|1,0,0]=3 152 B10R1.113 CC1=CC(C(N)=O)=CN=C1 CS-0037467 [0,1,0,0,1,0|2,0,0]=4 153 B10R1.113 C[C@H](O)C1=CC(N)=CC=C1 CS-0099855 [0,1,0,0,1,0|0,0,2]=4 154 B10R1.113 NC(=O)C1=CC(F)=CN=C1 CS-0036700 [0,1,0,0,1,0|2,0,0]=4 155 B10R1.113 NC(=O)C1=CC(O)=CN=C1 CS-0062251 [0,1,0,0,1,0|2,0,0]=4 156 B10R1.113 NC(=O)C1=NC(Br)=CC=C1 CS-0089806 [0,1,0,0,1,0|2,0,0]=4 157 B10R1.113 NC(=O)C1=NC(F)=CC=C1 CS-0088243 [0,1,0,0,1,0|2,0,0]=4 158 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 CS-0050962 [0,1,0,0,1,0|2,0,0]=4 159 B10R1.113 NC1=CC(C(=O)O)=NC=C1 CS-0033962 [0,1,0,0,1,0|2,0,0]=4 160 B10R1.113 NC1=NC=CC(C(=O)O)=C1 CS-D1172 [0,1,0,0,1,0|2,0,0]=4 161 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 CS-0053635 [0,1,0,0,1,0|0,0,2]=4 162 B12R1.21 CC(=O)NNC1=NC=C(Br)C=C1 CS-0083290 [0,1,0,0,0,1|2,0,0]=4 163 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 CS-0096223 [0,1,0,0,0,1|2,0,0]=4 164 B12R1.21 NC(=O)NNC1=CC=C(Cl)C=C1 CS-0099932 [0,1,0,0,0,1|2,0,0]=4 165 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 CS-0072209 [0,1,0,0,0,1|2,0,0]=4 166 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 CS-0088991 [0,1,0,0,0,1|2,0,0]=4 167 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 CS-0109544 [0,1,0,0,0,1|0,0,1]=3 168 B12R1.27 COC(=O)C#CC1=CC=CC=C1 CS-0063867 [0,1,0,0,0,1|1,0,0]=3 169 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 CS-0093846 [0,1,0,0,0,1|2,0,0]=4 170 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O CS-0106156 [0,1,0,0,0,1|2,0,0]=4 171 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 CS-0060520 [0,1,0,0,0,1|2,0,0]=4 172 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 CS-0059994 [0,1,0,0,0,1|1,0,0]=3 173 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 CS-0099849 [0,1,0,0,0,1|2,0,0]=4 174 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 CS-0106072 [0,1,0,0,0,1|2,0,0]=4 175 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 CS-0066979 [0,1,0,0,0,1|2,0,0]=4 176 B12R1.125 C(C(=O)O)=CC1=CC=CC=C1Br CS-W014204 [0,1,0,0,0,1|2,0,0]=4 177 B12R1.125 CC(=O)SCC1=CC=CC=C1Cl CS-0036273 [0,1,0,0,0,1|0,1,0]=3 178 B12R1.125 CC(C)=CCC1=C(N)C=CC=C1 CS-0112107 [0,1,0,0,0,1|2,0,0]=4 179 B12R1.226 CC(=O)NCC1=CC(N)=CC=C1 CS-0098160 [0,1,0,0,0,1|1,0,0]=3 180 B12R1.226 CC(=O)NNC1=NC(Cl)=CC=C1 CS-0092056 [0,1,0,0,0,1|2,0,0]=4 181 B12R1.226 NC(=O)NNC1=CC=CC(Cl)=C1 CS-0099970 [0,1,0,0,0,1|2,0,0]=4 182 B12R1.4 C#CC1=CC=C(NC(C)=O)C=C1 CS-0094843 [0,2,0,0,0,0|1,0,0]=3 183 B12R1.4 C#CC1=CC=C(SC(C)=O)C=C1 CS-0110004 [0,2,0,0,0,0|0,1,0]=3 184 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 CS-0036325 [0,2,0,0,0,0|1,0,0]=3 185 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 CS-0047595 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.19 CC(=O)NC1=CC(Br)=C(Cl)C=C1 CS-0060862 [0,2,0,0,0,0|1,0,0]=3 187 B12R1.19 CC(=O)NC1=CC(C)=C(Br)N=C1 CS-0083358 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.19 CC(=O)NC1=NC(C)=C(Br)C=C1 CS-0092050 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.19 CC(=O)NC1=NC(C)=C(Cl)C=C1 CS-0084780 [0,2,0,0,0,0|2,0,0]=4 190 B12R1.19 CC(=O)NC1=NC=C(Br)C(C)=C1 CS-0084753 [0,2,0,0,0,0|2,0,0]=4 191 B12R1.19 CC(=O)NC1=NC=C(Cl)C(C)=C1 CS-0092038 [0,2,0,0,0,0|2,0,0]=4 192 B12R1.19 CC1=CC(OC(C)C)=CC=C1N CS-0047574 [0,2,0,0,0,0|1,0,1]=4 193 B12R1.20 CC(C(=O)O)C1=CC=C(I)C=C1 CS-0110449 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 CS-0113072 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.20 CC1=CC=C(C(F)C(=O)O)C=C1 CS-0104543 [0,2,0,0,0,0|2,0,0]=4 196 B12R1.20 O=C(O)C(F)C1=CC=C(Cl)C=C1 CS-0104537 [0,2,0,0,0,0|2,0,0]=4 197 B12R1.49 CNC(=O)CC1=CC=C(O)C=C1 CS-0061780 [0,2,0,0,0,0|1,0,0]=3 198 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 CS-0099715 [0,2,0,0,0,0|1,0,0]=3 199 B12R1.49 NNC(=O)NC1=CC=C(Br)C=C1 CS-0037065 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.233 CC(=O)NC1=C(C)C=C(C)C=C1 CS-0038858 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1C CS-0037986 [0,2,0,0,0,0|1,0,0]=3 202 B12R1.233 CC(=O)NC1=NC=C(C)C=C1Br CS-0091406 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.233 CC(=O)NC1=NC=C(F)C=C1Br CS-0084734 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.233 CC(=O)NC1=NC=C(N)C=C1Br CS-0092037 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.233 CC(=O)OC1=CC=C(Cl)C=C1Br CS-0093668 [0,2,0,0,0,0|0,0,0]=2 206 B12R1.233 CC1=CC(N)=CC=C1CC(=O)O CS-0038602 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.233 O=C(O)CC1=C(Br)C=C(Br)C=C1 CS-0060423 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.233 O=C(O)CC1=CC=C(Br)C=C1O CS-0089323 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 CS-M0641 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 CS-0061793 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.124 CC1=CC=CC=C1C(F)C(=O)O CS-0104541 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 CS-0085188 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.124 O=C(O)C(F)C1=CC=CC=C1Cl CS-0104540 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.225 CC1=CC(C(F)C(=O)O)=CC=C1 CS-0104542 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 CS-0106493 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.225 O=C(O)C(F)C1=CC=CC(Cl)=C1 CS-0104539 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.478 N#CC(C(=O)O)C1=CC=CC=C1 CS-0104536 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 CS-0060482 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CS-W016087 [0,2,0,0,0,0|1,0,0]=3 220 B12R1.32 CCOC(=O)CC1=CC=NC=C1 CS-0088371 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.32 CCOC(=O)NC1=NC=CC=C1 CS-0088372 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.50 CCC(=O)NC1=NC=CC(Br)=C1 CS-0037066 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.50 COC(=O)CC1=CC(C)=CN=C1 CS-0049204 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS-W004989 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.50 COC(=O)CC1=CC=CC(C)=N1 CS-0061376 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.371 CNC(=O)CC1=C(Br)C=CC=C1 CS-0035872 [0,2,0,0,0,0|1,0,0]=3 227 B12R1.371 CNC(=O)CC1=CC=CC=C1Cl CS-0037557 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.371 COC(=O)CC1=CC=CC=C1F CS-0061879 [0,2,0,0,0,0|1,0,0]=3 229 B12R1.371 COC(=O)CC1=NC=CC=C1Br CS-0049209 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.371 NNC(=O)CC1=C(F)C=CC=C1 CS-0099915 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.371 NNC(=O)NC1=CC=CC=C1Cl CS-0096191 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.75 C=CC1=CC=CC=C1OC(C)C CS-0035647 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.75 CC(=O)OC1=CC=CC=C1C=O CS-0099717 [0,2,0,0,0,0|0,0,0]=2 234 B12R1.127 CC(=O)CC1=CC(Cl)=CN=C1Cl CS-0101172 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.224 CC(=O)NC1=CC=CC(C)=C1Cl CS-0061206 [0,2,0,0,0,0|1,0,0]=3 236 B12R1.224 CC1=C(I)C=CC=C1CC(=O)O CS-0093908 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.224 O=C(O)CC1=CC=CC(Cl)=C1Cl CS-0089652 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.1009 O=C(O)CC1=C(F)C=CC=C1F CS-W017625 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.101 CC1=CC(CC(=O)O)=CC(F)=C1 CS-0061257 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.101 O=C(O)CC1=CC(Br)=CC(F)=C1 CS-0037458 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.119 CS(=O)(=O)CC1=CC(N)=CC=C1 CS-0088052 [0,2,0,0,0,0|2,0,0]=4 242 B12R1.119 CS(=O)(=O)NC1=CC=CC(N)=C1 CS-0106391 [0,2,0,0,0,0|2,0,0]=4 243 B10R2.7 C1=CC2=C(C=CO2)C=N1 CS-0084800 [1,0,0,1,0,0|1,0,1]=4 244 B10R2.7 C1=CC2=C(C=N1)CCO2 CS-0091894 [1,0,0,1,0,0|1,0,1]=4 245 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 CS-0054863 [0,0,0,1,0,1|1,0,0]=3 246 B12R2.24 CC1=NC2=CC=CC=C2C=N1 CS-0099614 [0,0,0,1,0,1|2,0,0]=4 247 B12R2.24 CC1COC2=C(C=CC=C2)N1 CS-0037800 [0,0,0,1,0,1|1,0,1]=4 248 B12R2.24 O=C1CCC2=C(C=CC=N2)C1 CS-0102419 [0,0,0,1,0,1|2,0,0]=4 249 B12R2.24 O=C1CSC2=CC=CC=C2N1 CS-0085251 [0,0,0,1,0,1|1,1,0]=4 250 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CS-0085121 [0,0,0,1,0,1|2,0,0]=4 251 B12R2.294 BrC1=CC=C(OC2CC2)C=C1 CS-0037584 [0,1,0,1,0,0|1,0,1]=4 252 B12R2.606 CC1=CC2=C(C=C(I)C=C2)N1 CS-0050188 [0,1,0,1,0,0|2,0,0]=4 253 B12R2.606 CC1=CC2=C(C=C1)C=C(C)N2 CS-0036750 [0,1,0,1,0,0|2,0,0]=4 254 B12R2.606 CC1=CC=C2N=C(N)OC2=C1 CS-0039807 [0,1,0,1,0,0|2,0,0]=4 255 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)O1 CS-W010795 [0,1,0,1,0,0|1,0,0]=3 256 B12R2.606 CC1=NC=C2CC(=O)NC2=C1 CS-0058503 [0,1,0,1,0,0|2,0,0]=4 257 B12R2.606 FC1=CC=C2OC(Cl)=NC2=C1 CS-0042254 [0,1,0,1,0,0|2,0,0]=4 258 B12R2.606 NC1=CC2=C(CC(=O)N2)N=C1 CS-0112068 [0,1,0,1,0,0|2,0,0]=4 259 B12R2.606 NC1=CC2=CC=C(Br)C=C2O1 CS-0093994 [0,1,0,1,0,0|1,0,1]=4 260 B12R2.606 NC1=CC=C2CS(=O)CC2=C1 CS-0093514 [0,1,0,1,0,0|2,0,0]=4 261 B12R2.606 NC1=NC=C2NC(=O)CC2=C1 CS-0058494 [0,1,0,1,0,0|2,0,0]=4 262 B12R2.606 O=C1C=C2NC(=O)CC2=CN1 CS-0058500 [0,1,0,1,0,0|2,0,0]=4 263 B12R2.606 O=C1CC2=C(C=C(Cl)N=C2)N1 CS-0033955 [0,1,0,1,0,0|2,0,0]=4 264 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 CS-0101909 [0,1,0,1,0,0|1,0,0]=3 265 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 CS-0050489 [0,1,0,1,0,0|2,0,0]=4 266 B12R2.606 O=C1CC2=NC(Br)=CC=C2N1 CS-0050648 [0,1,0,1,0,0|2,0,0]=4 267 B12R2.606 O=C1CC2=NC(Cl)=CC=C2N1 CS-0050548 [0,1,0,1,0,0|2,0,0]=4 268 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 CS-0050243 [0,1,0,1,0,0|2,0,0]=4 269 B12R2.18 CC1=CC2=CC=CC=C2N1C CS-W010998 [0,1,0,1,0,0|2,0,0]=4 270 B12R2.18 CC1C(=O)NC2=NC=CC=C21 CS-0051282 [0,1,0,1,0,0|2,0,0]=4 271 B12R2.18 CN1C(=O)CC2=CC=CN=C21 CS-0052473 [0,1,0,1,0,0|2,0,0]=4 272 B12R2.18 CN1C(=O)NC2=CC=CN=C21 CS-0112221 [0,1,0,1,0,0|2,0,0]=4 273 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 CS-0111958 [0,1,0,1,0,0|1,0,0]=3 274 B12R2.18 O=C1CC2=CC=CC=C2C1=O CS-W014296 [0,1,0,1,0,0|1,0,0]=3 275 B12R2.23 O=C1CCC1C2=CC=CC=C2 CS-0051808 [0,1,0,1,0,0|1,0,0]=3 276 B12R2.32 CCC1=NC2=CC=CC=C2O1 CS-0062230 [0,1,0,1,0,0|1,0,0]=3 277 B12R2.32 NCC1=CC2=C(C=CN=C2)O1 CS-0087972 [0,1,0,1,0,0|2,0,0]=4 278 B12R2.32 OCC1=CC2=C(C=CN=C2)O1 CS-0087970 [0,1,0,1,0,0|2,0,0]=4 279 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 CS-0051226 [0,1,0,1,0,0|1,0,1]=4 280 B12R2.202 CC1=C2OC(O)=NC2=CC=C1 CS-0036714 [0,1,0,1,0,0|1,0,1]=4 281 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 CS-W005700 [0,1,0,1,0,0|2,0,0]=4 282 B12R2.202 CC1=CC2=C(C=CN=C2Cl)O1 CS-0087989 [0,1,0,1,0,0|2,0,0]=4 283 B12R2.202 CC1=CC2=C(N1)C(Br)=CC=C2 CS-0100871 [0,1,0,1,0,0|2,0,0]=4 284 B12R2.202 CC1=CC2=C(O1)C(Cl)=CC=N2 CS-0050049 [0,1,0,1,0,0|2,0,0]=4 285 B12R2.202 CC1=CC2=CC=CC(Br)=C2C1 CS-0050090 [0,1,0,1,0,0|2,0,0]=4 286 B12R2.202 CC1=NC2=C(O)C=CC=C2O1 CS-0111712 [0,1,0,1,0,0|1,0,0]=3 287 B12R2.202 CC1=NC2=CC=CC(O)=C2N1 CS-0059017 [0,1,0,1,0,0|2,0,0]=4 288 B12R2.202 ClC1=C2OC(Br)=CC2=CC=C1 CS-0096925 [0,1,0,1,0,0|1,0,1]=4 289 B12R2.202 NC1=C2NC(=O)CC2=CC=N1 CS-0058495 [0,1,0,1,0,0|2,0,0]=4 290 B12R2.202 O=C1CC2=C(Br)N=CC=C2N1 CS-0058504 [0,1,0,1,0,0|2,0,0]=4 291 B12R2.202 O=C1CC2=C(C=CC=C2I)N1 CS-0050830 [0,1,0,1,0,0|1,0,0]=3 292 B12R2.202 O=C1CC2=C(C=CN=C2Cl)N1 CS-0055966 [0,1,0,1,0,0|2,0,0]=4 293 B12R2.202 O=C1CC2=C(Cl)C=NC=C2N1 CS-0058491 [0,1,0,1,0,0|2,0,0]=4 294 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 CS-0004611 [0,1,0,1,0,0|2,0,0]=4 295 B12R2.202 O=C1CC2=C(F)C=NC=C2N1 CS-0058490 [0,1,0,1,0,0|2,0,0]=4 296 B12R2.202 O=C1CC2=C(F)N=CC=C2N1 CS-0058505 [0,1,0,1,0,0|2,0,0]=4 297 B12R2.202 O=C1CC2=C(I)C=CN=C2N1 CS-0050833 [0,1,0,1,0,0|2,0,0]=4 298 B12R2.202 O=C1CC2=C(N1)C(Cl)=NC=C2 CS-0050056 [0,1,0,1,0,0|2,0,0]=4 299 B12R2.202 O=C1CC2=C(N1)C(I)=CC=C2 CS-0109537 [0,1,0,1,0,0|1,0,0]=3 300 B12R2.202 O=C1CC2=CC=NC(Br)=C2N1 CS-0058498 [0,1,0,1,0,0|2,0,0]=4 301 B12R2.202 O=C1CC2=CC=NC(F)=C2N1 CS-0058499 [0,1,0,1,0,0|2,0,0]=4 302 B12R2.202 O=C1CC2=CN=CC(Br)=C2N1 CS-0050103 [0,1,0,1,0,0|2,0,0]=4 303 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 CS-0112701 [0,1,0,1,0,0|1,0,0]=3 304 B12R2.202 O=C1NC2=CC=CC(F)=C2O1 CS-0098303 [0,1,0,1,0,0|1,0,0]=3 305 B8R1.7 CC(=O)C1=NC=CO1 CS-0103616 [0,0,0,0,2,0|2,0,0]=4 306 B12R1.252 [C@@H](C)(O)COCC1=CC=CC=C1 CS-W017736 [0,0,0,0,0,2|0,0,2]=4