0 B10R1.58 CC1=C(C)OC(C(=O)O)=C1 CS-0112756 [0,0,0,0,0,0|1,1,0]=2 1 B10R1.58 CN1N=C(C(=O)O)C=C1N CS-0050691 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.58 CN1N=C(C(=O)O)C=C1O CS-0061732 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.58 NC(=O)C1=CC(Cl)=C(Cl)N1 CS-0060158 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)N1 CS-0060159 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.23 CC1=C(Br)C=C(C=O)S1 CS-0061189 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.23 CC1=CC(C=O)=NN1C CS-0061282 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.23 O=CC1=NC(Cl)=C(Cl)S1 CS-0056854 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.35 CC(=O)C1=CN=C(Cl)S1 CS-0060854 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.35 CC(=O)C1=CSC(Cl)=C1 CS-0052862 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.35 CC(=O)C1=NC(Br)=CS1 CS-0103680 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.35 CC(=O)C1=NC=C(Br)S1 CS-0052869 [1,0,0,0,0,0|2,1,0]=4 12 B9R1.35 CC1=CN=C(C(=O)[O-])O1 CS-0048703 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.35 CC1=NN=C(C(=O)O)S1 CS-0036608 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 CC1=NOC(C(=O)O)=N1 CS-0035782 [1,0,0,0,0,0|2,1,0]=4 15 B9R1.35 CC1=NSC([N+](=O)[O-])=C1 CS-0109545 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 CS-0053590 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.35 NC(=O)C1=CC=C(Br)N1 CS-0050646 [1,0,0,0,0,0|2,1,0]=4 18 B9R1.35 NC(=O)C1=NN=C(Cl)S1 CS-0038406 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.35 NC1=CSC(C(=O)O)=N1 CS-0112772 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.35 NC1=CSC(C(=O)[O-])=N1 CS-0112773 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.35 NC1=NC(C(=O)O)=CO1 CS-0052066 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.35 NC1=NN=C(C(=O)O)S1 CS-0112653 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.35 O=C(O)C1=CC(F)=CN1 CS-0036563 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.35 O=[N+]([O-])C1=CC(Br)=CS1 CS-0005557 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.35 O=[N+]([O-])C1=CC=C(Br)S1 CS-W002127 [1,0,0,0,0,0|1,1,1]=4 26 B11R1.48 COC1=CC(C(=O)O)=NN1C CS-0061733 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.226 COC(=O)C1=CC(Cl)=C(Cl)N1 CS-0038222 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.226 COC(=O)C1=CC(F)=C(Br)S1 CS-0084793 [0,1,0,0,0,0|1,1,0]=3 29 B11R1.226 COC(=O)C1=CC(N)=C(N)S1 CS-B0143 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.672 CC1=C(Cl)C(Cl)=C(C(=O)O)N1 CS-0113021 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.21 CC1=C(Br)C=C(C(N)=O)C=C1 CS-0061130 [0,0,0,0,0,1|2,1,0]=4 32 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 CS-0059182 [0,0,0,0,0,1|2,0,0]=3 33 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 CS-0067795 [0,0,0,0,0,1|2,0,0]=3 34 B11R1.21 CC1=C(I)C=C(C(=O)Cl)C=C1 CS-0000091 [0,0,0,0,0,1|2,1,0]=4 35 B11R1.21 CC1=CC(C(=O)O)=CN=C1F CS-0088259 [0,0,0,0,0,1|1,1,0]=3 36 B11R1.21 CC1=CC(C(=O)O)=CN=C1O CS-0035754 [0,0,0,0,0,1|2,0,0]=3 37 B11R1.21 CC1=CC(C(N)=O)=CC=C1Br CS-0112707 [0,0,0,0,0,1|2,1,0]=4 38 B11R1.21 CC1=CC(C(N)=O)=CC=C1N CS-0061267 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.21 CC1=CC=C(C(=O)O)C=C1S CS-0088163 [0,0,0,0,0,1|2,0,0]=3 40 B11R1.21 CC1=CC=C(C(=O)O)N=C1C CS-0061293 [0,0,0,0,0,1|2,0,0]=3 41 B11R1.21 CC1=NC=C(C(=O)O)C=C1N CS-0050680 [0,0,0,0,0,1|2,0,0]=3 42 B11R1.21 NC(=O)C1=CC(Cl)=C(Br)N=C1 CS-0061685 [0,0,0,0,0,1|3,0,0]=4 43 B11R1.21 NC1=C(Br)N=C(C(=O)O)C=N1 CS-0050681 [0,0,0,0,0,1|2,1,0]=4 44 B11R1.21 NC1=CC(C(=O)O)=NC=C1Br CS-0051045 [0,0,0,0,0,1|2,1,0]=4 45 B11R1.21 NC1=CC=C(C(=O)O)C=C1S CS-0096381 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 CS-0050727 [0,0,0,0,0,1|2,1,0]=4 47 B11R1.21 O=C(O)C1=NC(F)=C(F)C=C1 CS-0088897 [0,0,0,0,0,1|2,1,0]=4 48 B11R1.74 CC(=O)C1=CC(Cl)=NC(Cl)=C1 CS-0036022 [0,0,0,0,0,1|3,0,0]=4 49 B11R1.74 CC1=CC(C(=O)O)=CC(N)=N1 CS-0052052 [0,0,0,0,0,1|2,0,0]=3 50 B11R1.74 NC(=O)C1=CC(Cl)=CC(F)=C1 CS-0061691 [0,0,0,0,0,1|3,0,0]=4 51 B11R1.74 NC1=CC(C(=O)O)=CC(O)=C1 CS-0113071 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.74 NC1=NC(C(=O)O)=CC(Cl)=N1 CS-0108454 [0,0,0,0,0,1|3,0,0]=4 53 B11R1.74 NC1=NC(N)=NC(C(=O)O)=C1 CS-0108456 [0,0,0,0,0,1|3,0,0]=4 54 B11R1.74 O=C(O)C1=CC(Cl)=NC(F)=C1 CS-0104507 [0,0,0,0,0,1|2,0,0]=3 55 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 CS-0112555 [0,0,0,0,0,1|2,1,0]=4 56 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=N1 CS-0107182 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.74 O=C(O)C1=NC(Cl)=NC(Cl)=C1 CS-0102802 [0,0,0,0,0,1|2,0,0]=3 58 B8R0.9 C\C=C(C)\C=C\C(=O)O CS-0035764 [1,0,1,0,0,0|1,0,0]=3 59 B8R1.1 CC1=CC(C=O)=CS1 CS-0054199 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.1 CC1=CC(C=O)=NO1 CS-0085287 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.1 CC1=CSC(C=O)=N1 CS-W011145 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.1 CC1=CSC(CO)=N1 CS-0109629 [2,0,0,0,0,0|1,0,1]=4 63 B8R1.1 CC1=NOC(C=O)=C1 CS-0085332 [2,0,0,0,0,0|1,1,0]=4 64 B8R1.1 NCC1=CC=C(Cl)S1 CS-0053153 [2,0,0,0,0,0|1,0,1]=4 65 B8R1.1 O=CC1=CC(F)=CS1 CS-0087933 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.1 O=CC1=CSC(Cl)=N1 CS-0006059 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.1 O=CC1=NC=C(Cl)S1 CS-0050550 [2,0,0,0,0,0|1,0,0]=3 68 B8R1.1 OCC1=CC(F)=CS1 CS-0087940 [2,0,0,0,0,0|1,0,1]=4 69 B8R1.1 OCC1=CC=C(Cl)S1 CS-0053152 [2,0,0,0,0,0|0,0,1]=3 70 B8R1.1 OCC1=CC=C(F)S1 CS-B1086 [2,0,0,0,0,0|0,1,1]=4 71 B8R1.1 OCC1=NC=C(Cl)S1 CS-0053156 [2,0,0,0,0,0|1,0,1]=4 72 B8R1.18 CC1=CC(=O)NC1=O CS-0060065 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.14 COC(=O)C1=CC(=O)NS1 CS-0112676 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.14 COC(=O)C1=CC(Cl)=CS1 CS-0049036 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.14 COC(=O)C1=CC(F)=CN1 CS-0061832 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.14 COC(=O)C1=CC(F)=CS1 CS-0084812 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.14 COC(=O)C1=CC(O)=CN1 CS-0098980 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.14 COC(=O)C1=CC=C(N)O1 CS-0049008 [1,1,0,0,0,0|1,1,0]=4 79 B10R1.14 COC(=O)C1=CN=C(Cl)O1 CS-0043879 [1,1,0,0,0,0|1,1,0]=4 80 B10R1.14 COC(=O)C1=CSC(Cl)=C1 CS-0048983 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.14 COC(=O)C1=NC(C)=NS1 CS-0036182 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.14 O=C(CBr)C1=CC=C(Cl)S1 CS-0060157 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.31 CCC1=CC(C(=O)O)=NO1 CS-0061455 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.31 CCC1=CC=C(C(=O)O)N1 CS-0089412 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.31 CCC1=CC=C(C(=O)O)S1 CS-0099725 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.31 CCC1=NOC(C(=O)O)=C1 CS-0085328 [1,1,0,0,0,0|1,1,0]=4 87 B10R1.31 COC1=CC(C(=O)O)=NN1 CS-0113056 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.31 COC1=CC=C(C(=O)O)S1 CS-0113050 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.31 CSC1=CC=C(C(=O)O)S1 CS-W017496 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.59 CC(=O)C1=C(C)N=C(Cl)S1 CS-0059745 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 CS-0103584 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.59 O=C(O)C1=C(Br)C=C(Br)S1 CS-W012223 [1,1,0,0,0,0|0,1,0]=3 93 B10R1.194 CC1=C(Br)C(C(=O)O)=NN1 CS-0061151 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.194 CC1=C(C)C(C(=O)O)=NO1 CS-0088125 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.194 CC1=CNC(C(=O)O)=C1C CS-0051604 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.48 COC1=C(Br)N=C(C(=O)O)C=C1 CS-0046118 [0,1,0,0,0,1|1,1,0]=4 97 B12R1.48 COC1=CC=C(C(=O)O)C=C1I CS-0113079 [0,1,0,0,0,1|1,1,0]=4 98 B12R1.48 COC1=CN=C(C(=O)O)C=C1Cl CS-0054016 [0,1,0,0,0,1|1,0,0]=3 99 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl CS-0109792 [0,1,0,0,0,1|1,0,0]=3 100 B12R1.48 O=C(O)C1=CC=C(CO)C(F)=C1 CS-0037901 [0,1,0,0,0,1|1,1,0]=4 101 B12R1.56 NCC1=CC(C(=O)O)=CC=C1F CS-0088662 [0,1,0,0,0,1|1,1,0]=4 102 B12R1.232 CC1=C(Br)C=C(C(=O)O)C(F)=C1 CS-0096422 [0,1,0,0,0,1|1,1,0]=4 103 B12R1.232 CC1=C(C)NC(=O)C(C(=O)O)=N1 CS-0038814 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.232 CC1=C(N)C=C(F)C(C(=O)O)=C1 CS-0077260 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.232 CC1=CC(Cl)=C(Cl)C=C1C(=O)O CS-0061238 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.232 CC1=NC(O)=C(C(=O)O)C=C1Cl CS-0061369 [0,1,0,0,0,1|1,0,0]=3 107 B12R1.232 O=C(O)C1=CC(F)=C(Cl)C=C1O CS-0100089 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.232 O=C(O)C1=CC(O)=C(Cl)C=C1Cl CS-0100365 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.367 COC(=O)C1=CC(Br)=C(C)N=C1 CS-0061186 [0,1,0,0,0,1|1,1,0]=4 110 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)C=C1 CS-0061821 [0,1,0,0,0,1|2,0,0]=4 111 B12R1.367 COC(=O)C1=CC=C(I)C(Cl)=C1 CS-0038909 [0,1,0,0,0,1|2,0,0]=4 112 B12R1.367 COC(=O)C1=CN=C(Cl)C(N)=C1 CS-0082263 [0,1,0,0,0,1|2,0,0]=4 113 B12R1.367 COC(=O)C1=NC(Cl)=C(Cl)C=C1 CS-0109598 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.367 COC(=O)C1=NC(Cl)=C(Cl)N=C1 CS-0067392 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.367 COC(=O)C1=NC=C(N)C(C)=C1 CS-0049011 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.367 COC(=O)C1=NC=C(O)C(C)=C1 CS-0056635 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.893 CC1=C(Cl)C(C(=O)O)=CC=C1Cl CS-0061146 [0,1,0,0,0,1|1,0,0]=3 118 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(Cl)N=C1 CS-0051097 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1N CS-0039081 [0,1,0,0,0,1|1,1,0]=4 120 B12R1.1005 CC1=C(N)C=C(C(=O)O)C=C1N CS-0061184 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.1005 NC1=CC(C(=O)O)=CC(Cl)=C1Cl CS-0060179 [0,1,0,0,0,1|2,0,0]=4 122 B12R1.11 CC1=CC(C#N)=CC(C(=O)O)=C1 CS-0036278 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.11 COC1=CC(Cl)=CC(C(C)=O)=C1 CS-0092419 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.358 COC(=O)C1=CC(C)=NC(O)=C1 CS-0081058 [0,1,0,0,0,1|2,0,0]=4 125 B12R1.358 COC(=O)C1=NC(Cl)=NC(N)=C1 CS-0112749 [0,1,0,0,0,1|2,0,0]=4 126 B12R1.511 CC1=C(N)C(C(=O)O)=CC(F)=C1 CS-0108286 [0,1,0,0,0,1|1,1,0]=4 127 B12R1.511 CC1=CC(C(=O)O)=C(F)C(F)=C1 CS-0061218 [0,1,0,0,0,1|1,1,0]=4 128 B12R1.511 CC1=CC(C(=O)O)=C(I)C(Br)=C1 CS-0059673 [0,1,0,0,0,1|1,1,0]=4 129 B12R1.511 NC1=C(C(=O)O)C=C(Cl)C=C1I CS-0060169 [0,1,0,0,0,1|2,0,0]=4 130 B12R1.63 COC(=O)C1=CC(Br)=C(C=O)S1 CS-0112905 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.63 COC(=O)C1=CC(CO)=C(C)O1 CS-0109551 [0,2,0,0,0,0|1,1,0]=4 132 B12R1.362 COC(=O)C1=C(F)C(Br)=C(Br)S1 CS-0084748 [0,2,0,0,0,0|1,1,0]=4 133 B12R1.362 COC(=O)C1=C(O)C(C)=C(C)S1 CS-0061165 [0,2,0,0,0,0|1,0,0]=3 134 B10R1.39 CCC1=C(C(=O)O)SC=N1 CS-0061444 [0,0,1,1,0,0|1,0,1]=4 135 B10R1.118 CC1=C(Cl)N=C(Cl)C(=O)O1 CS-0077525 [0,0,1,1,0,0|2,0,0]=4 136 B10R1.118 CC1=C(Cl)N=C(I)C(=O)O1 CS-0069862 [0,0,1,1,0,0|2,0,0]=4 137 B12R2.252 O=C(O)C1=CC2=C(C=CN2)S1 CS-0038040 [0,1,0,1,0,0|1,0,1]=4 138 B10R1.8 CC1=CC(C=O)=CC(C)=N1 CS-0089807 [1,0,0,0,0,1|2,0,0]=4 139 B10R1.8 CC1=CC(C=O)=CC(Cl)=C1 CS-0061256 [1,0,0,0,0,1|1,0,0]=3 140 B10R1.8 O=CC1=CC(Cl)=NC(Cl)=C1 CS-0091259 [1,0,0,0,0,1|2,0,0]=4 141 B10R1.54 CC1=NOC(CC(=O)O)=C1 CS-0067394 [1,0,0,0,0,1|1,1,0]=4 142 B10R1.54 CN1C=NC(CC(=O)O)=C1 CS-0052324 [1,0,0,0,0,1|2,0,0]=4 143 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 CS-0052274 [1,0,0,0,0,1|2,0,0]=4 144 B12R1.19 CC(=O)NC1=NC=C(Cl)C(C)=C1 CS-0092038 [0,0,0,0,0,2|2,0,0]=4 145 B12R1.19 CC1=CC(CC(=O)O)=NNC1=O CS-0052259 [0,0,0,0,0,2|2,0,0]=4 146 B12R1.101 CC1=CC(CC(=O)O)=CC(F)=C1 CS-0061257 [0,0,0,0,0,2|1,1,0]=4