0 B9R1.69 CC1=C(Br)C=C(S)C=C1 ACI-02349 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.69 CC1=C(Cl)N=CC(N)=C1 ACI-NI-00759 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 CC1=CC(Br)=C(S)C=C1 ACI-02406 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.69 CC1=CC(Br)=CN=C1N ACI-00411 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 CC1=CC(S)=CC=C1Br ACI-02413 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.69 CC1=CC=C(N)C(N)=N1 ACI-04395 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.69 CC1=CC=C(N)C(S)=C1 ACI-04795 [0,0,0,0,0,0|1,1,0]=2 7 B9R1.69 CC1=CC=C(O)C(Br)=N1 ACI-00986 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.69 CC1=CC=C(O)C(I)=N1 ACI-01009 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 ACI-00843 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.69 CC1=CN=C(Cl)C(Br)=C1 ACI-00863 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.69 CC1=CN=C(Cl)N=C1Cl ACI-01013 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-00837 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-01625 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.69 FC1=CC(Br)=CC=C1S ACI-02559 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.69 FC1=CC(Br)=CN=C1I ACI-04370 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 FC1=CC(S)=CC=C1Br ACI-02581 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.69 FC1=CC=C(Br)C(S)=C1 ACI-02557 [0,0,0,0,0,0|2,1,0]=3 18 B9R1.69 FC1=CC=C(Br)C=C1S ACI-02554 [0,0,0,0,0,0|2,1,0]=3 19 B9R1.69 FC1=CC=C(S)C(Br)=C1 ACI-02564 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.69 FC1=CC=C(S)C=C1Br ACI-02567 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.69 NC1=C(Cl)C=C(F)C=C1 ACI-04608 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.69 NC1=C(I)C=C(F)N=C1 ACI-06271 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.69 NC1=C(I)C=C(F)N=C1 ACI-06273 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.69 NC1=C(O)C=CC(O)=C1 ACI-06428 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.69 NC1=CC(Cl)=CN=C1Cl ACI-00248 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.69 NC1=CC=C(Br)C=C1N ACI-01651 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.69 NC1=CC=C(Br)C=C1S ACI-04794 [0,0,0,0,0,0|2,1,0]=3 28 B9R1.69 NC1=CC=C(Cl)C=C1S ACI-04793 [0,0,0,0,0,0|2,1,0]=3 29 B9R1.69 NC1=CC=C(I)C=C1N ACI-01596 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.69 NC1=NC=C(Br)C=C1F JL-15A-001 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.69 OC1=C(Cl)N=C(I)C=C1 ACI-00389 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.69 OC1=CC=C(Br)N=C1Br ACI-03879 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.69 OC1=NC=C(I)C=C1Cl ACI-00457 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.3 NC1=NC=C(I)C=C1 ACI-00985 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.3 [O-][N+]1=CC=C(Br)C=C1 ACI-03814 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.3 [O-][N+]1=CC=C(Cl)C=C1 ACI-00998 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.4 BrC1=CC=CC(Br)=N1 ACI-00415 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.4 CC1=CC(F)=NC=C1 ACI-00433 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.4 CC1=CC(O)=NC=N1 ACI-01031 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.4 CC1=NC(N)=CC=N1 ACI-03853 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.4 CC1=NC(N)=NC=C1 ACI-01353 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.4 CC1=NC(O)=NC=C1 ACI-01352 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.4 CC1=NC(S)=NC=C1 ACI-01351 [1,0,0,0,0,0|2,1,0]=4 47 B8R1.4 CC1=NC(S)=NC=C1 ACI-03785 [1,0,0,0,0,0|2,1,0]=4 48 B8R1.4 CC1=NC=NC(N)=C1 ACI-03854 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.4 NC1=CC(Br)=CN=C1 ACI-00451 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.4 NC1=NC(Cl)=CC=C1 ACI-00840 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.5 ClC1=CC=CN=C1Cl ACI-00410 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.5 NC1=CC=CN=C1Cl ACI-00447 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.5 OC1=CC=CN=C1F ACI-01438 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.22 CC1=CC(O)=CC(C)=C1I JM-03B-001 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.22 NC1=C(F)C=C(Br)C=C1O ACI-05591 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.22 NC1=CC(Cl)=CC(Cl)=C1O ACI-00885 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.25 CC1=C(NN)C=CC(Cl)=C1 FD-10E-004 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.25 CC1=C(NN)C=CC(F)=C1 ACI-04083 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.25 CC1=CC=C(C#N)C(Cl)=N1 ACI-01441 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.25 CC1=CC=C(C#N)C(O)=N1 ACI-NI-00169 [0,1,0,0,0,0|1,0,1]=3 61 B10R1.25 CC1=CC=C(CO)C(O)=N1 JM-12C-003 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.25 CC1=CN=C(C#N)C(N)=C1 ACI-00449 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.25 COC1=CC=C(Br)N=C1Br ACI-03880 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.25 COC1=CC=C(N)N=C1Br ACI-01397 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=N1 ACI-04829 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.25 ClCC1=NC=C(Cl)C=C1Cl JL-12E-002 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.25 FC1=CC(F)=C(CCl)N=C1 ACI-04826 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.25 NNC1=C(Br)C=C(F)C=C1 ACI-02453 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 ACI-03975 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.25 NNC1=CC=C(F)C=C1F ACI-00273 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 ACI-04830 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.25 OCC1=C(F)C=C(F)C=N1 ACI-04827 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.30 CC1=C(CO)C=C(I)C=C1 ACI-05606 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.30 CC1=C(NN)C=C(Cl)C=C1 ACI-04081 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.30 CC1=CC(NN)=C(Br)C=C1 ACI-04079 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.30 CC1=CC=C(I)C=C1CBr ACI-05613 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.30 CC1=CN=C(N)C(C#N)=C1 ACI-00409 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.30 CC1=CN=C(S)C(C#N)=C1 ACI-00237 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.30 COC1=CC(N)=CC=C1F ACI-05283 [0,1,0,0,0,0|2,0,0]=3 80 B10R1.30 ClC1=CC=C(I)C=C1CBr ACI-05612 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.30 N#CC1=CC(F)=CC=C1O ACI-02301 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.30 NNC1=C(Br)C=CC(Cl)=C1 ACI-04196 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.30 NNC1=C(Br)C=CC(F)=C1 ACI-04076 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.30 NNC1=C(Cl)C=CC(Br)=C1 ACI-04195 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.30 NNC1=CC(Cl)=CC=C1F ACI-03974 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.30 O=CC1=CC(Cl)=CC=C1F ACI-00824 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.30 OCC1=C(Cl)C=CC(I)=C1 ACI-05605 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.30 OCC1=C(F)C=CC(I)=C1 ACI-05604 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.30 OCC1=CC(Br)=CN=C1Cl ACI-00198 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.30 OCC1=CC(Cl)=CN=C1Cl ACI-00223 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.118 CC1=C(C)C=C(N)C(N)=C1 ACI-05880 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.118 NC1=CC(Br)=C(Br)C=C1N ACI-02627 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.118 NC1=CC(F)=C(F)C=C1N ACI-01648 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.119 CC1=C(F)C(N)=C(F)C=C1 ACI-02223 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.176 CC1=C(I)C=C(CO)C=C1 ACI-05610 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.176 CC1=CC(NN)=CC=C1Cl FD-10E-001 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.176 CC1=CC=C(CBr)C=C1I ACI-05617 [0,1,0,0,0,0|1,0,0]=2 98 B10R1.176 ClC1=CC=C(CBr)C=C1I ACI-05618 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.176 ClCC1=CC(Cl)=C(Cl)N=C1 RH-10J-001 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.176 N#CC1=CC=C(N)C(Cl)=C1 ACI-00365 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.176 OCC1=CC(I)=C(Cl)C=C1 ACI-05611 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.18 CC1=C(Cl)SC(Cl)=C1 ACI-04717 [0,0,0,0,1,0|3,0,0]=4 103 B8R1.18 CC1=CC(C)=NN1C ACI-00025 [0,0,0,0,1,0|3,0,0]=4 104 B8R1.18 CC1=NN(C)C(Cl)=C1 ACI-01470 [0,0,0,0,1,0|3,0,0]=4 105 B8R1.18 CC1=NN(C)C(O)=C1 ACI-01469 [0,0,0,0,1,0|2,0,0]=3 106 B8R1.50 CC1=NNC(C)=C1Br ACI-01464 [0,0,0,0,1,0|3,0,0]=4 107 B8R1.50 CC1=NOC(C)=C1I ACI-02249 [0,0,0,0,1,0|3,0,0]=4 108 B7R1.3 OC1=CC=CN=N1 ACI-04745 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [1,1,0,0,0,0|1,0,1]=4 110 B9R1.1 CC1=CN=C(C#N)C=C1 SB-02B-002 [1,1,0,0,0,0|1,0,1]=4 111 B9R1.1 COC1=CC=[N+]([O-])C=C1 WS-03E-001 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.1 ClCC1=CC=C(Cl)C=N1 ACI-04823 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.1 ClCC1=CC=C(Cl)C=N1 JM-011C-001 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.1 ClCC1=CN=C(Cl)C=C1 ACI-01442 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [1,1,0,0,0,0|1,0,0]=3 116 B9R1.1 NCC1=CC=C(Cl)N=C1 ACI-01399 [1,1,0,0,0,0|2,0,0]=4 117 B9R1.1 NNC1=CC=C(I)C=C1 ACI-00329 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.1 OCC1=CC=C(Cl)C=N1 ACI-04824 [1,1,0,0,0,0|2,0,0]=4 119 B9R1.1 OCC1=CN=C(Cl)C=C1 ACI-00428 [1,1,0,0,0,0|2,0,0]=4 120 B9R1.2 CC1=NC=CC(C#N)=C1 ACI-02494 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [1,1,0,0,0,0|2,0,0]=4 122 B9R1.2 ClCC1=CC(Br)=CN=C1 SB-09E-005 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.2 ClCC1=CC(Cl)=NC=C1 ACI-00425 [1,1,0,0,0,0|2,0,0]=4 124 B9R1.2 OC1=NC=NC(CCl)=C1 SB-11A-001 [1,1,0,0,0,0|2,0,0]=4 125 B9R1.2 OCC1=CC(Br)=CN=C1 ACI-01412 [1,1,0,0,0,0|2,0,0]=4 126 B9R1.2 OCC1=CC(Cl)=NC=C1 ACI-00423 [1,1,0,0,0,0|2,0,0]=4 127 B9R1.3 CC1=C(Br)C=CC=C1S ACI-02417 [1,1,0,0,0,0|1,1,0]=4 128 B9R1.3 CC1=C(N)C(Cl)=NC=C1 ACI-00862 [1,1,0,0,0,0|2,0,0]=4 129 B9R1.3 CC1=CC=CC(Br)=C1S ACI-04004 [1,1,0,0,0,0|1,0,0]=3 130 B9R1.3 CC1=NC=NC(O)=C1Br ACI-06419 [1,1,0,0,0,0|2,0,0]=4 131 B9R1.3 FC1=C(Br)C=CC=C1S ACI-02552 [1,1,0,0,0,0|1,1,0]=4 132 B9R1.3 FC1=CC=CC(Br)=C1S ACI-02556 [1,1,0,0,0,0|2,0,0]=4 133 B9R1.3 FC1=CC=CC(S)=C1Br ACI-02562 [1,1,0,0,0,0|1,1,0]=4 134 B9R1.34 CC1=CC(S)=CC(Br)=C1 ACI-02421 [1,1,0,0,0,0|0,1,0]=3 135 B9R1.34 FC1=CC(Br)=CC(S)=C1 ACI-02565 [1,1,0,0,0,0|1,1,0]=4 136 B9R1.34 FC1=CC(Cl)=CC(S)=C1 ACI-04611 [1,1,0,0,0,0|1,1,0]=4 137 B9R1.34 SC1=CC(Br)=CC(Cl)=C1 ACI-02425 [1,1,0,0,0,0|1,1,0]=4 138 B9R1.34 SC1=CC(S)=CC(S)=C1 JM-11J-004 [1,1,0,0,0,0|1,1,0]=4 139 B9R1.15 CC1=C(C#N)C=CN=C1 ACI-02495 [1,1,0,0,0,0|2,0,0]=4 140 B9R1.15 CC1=CC=CN=C1NN ACI-01436 [1,1,0,0,0,0|2,0,0]=4 141 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [1,1,0,0,0,0|0,0,0]=2 142 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06376 [1,1,0,0,0,0|2,0,0]=4 143 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06377 [1,1,0,0,0,0|2,0,0]=4 144 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [1,1,0,0,0,0|2,0,0]=4 145 B9R1.15 ClCC1=CC=CC=C1Br ACI-03860 [1,1,0,0,0,0|1,0,0]=3 146 B9R1.15 ClCC1=CC=CN=C1Cl WS-02I-002 [1,1,0,0,0,0|2,0,0]=4 147 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [1,1,0,0,0,0|0,0,0]=2 148 B9R1.15 OCC1=CC=CN=C1Cl ACI-NI-00467 [1,1,0,0,0,0|2,0,0]=4 149 B9R1.22 CC1=NN(C)C(CO)=C1 ACI-00854 [0,1,0,0,1,0|2,0,0]=4 150 B9R1.23 CCC1=NN(C)C(O)=C1 ACI-04719 [0,1,0,0,1,0|2,0,0]=4 151 B9R1.27 CC1=C(CO)N(C)N=C1 ACI-04857 [0,1,0,0,1,0|2,0,0]=4 152 B11R1.8 OCC1=C(Cl)C(Cl)=CC(Cl)=C1 ACI-03751 [0,2,0,0,0,0|2,0,0]=4 153 B11R1.166 CC1=C(N(C)C)C=CC(Br)=C1 ACI-06402 [0,2,0,0,0,0|2,0,0]=4 154 B11R1.166 CC1=CC=C(C(=O)Cl)C(Br)=C1 ACI-01767 [0,2,0,0,0,0|1,0,1]=4 155 B11R1.166 CC1=CC=C(C(N)=O)C(Br)=C1 ACI-05403 [0,2,0,0,0,0|1,0,1]=4 156 B11R1.278 CC1=C(Cl)C(F)=C(C=O)C=C1 ACI-05529 [0,2,0,0,0,0|1,0,1]=4 157 B11R1.279 COC1=CC=C(NN)C(C)=C1 ACI-04726 [0,2,0,0,0,0|2,0,0]=4 158 B11R1.279 COC1=CC=C(OC)C(Cl)=C1 ACI-04697 [0,2,0,0,0,0|1,0,0]=3 159 B11R1.280 CCC1=CC=C(O)C(C=O)=C1 JL-10I-001 [0,2,0,0,0,0|1,0,1]=4 160 B11R1.280 COC1=CC(NN)=C(Cl)C=C1 FD-10E-005 [0,2,0,0,0,0|2,0,0]=4 161 B11R1.21 CC(=O)C1=CC=C(N)C(N)=C1 JM-11E-001 [0,2,0,0,0,0|2,0,0]=4 162 B11R1.21 CC1=C(C)C=C(C(=N)N)C=C1 ACI-03942 [0,2,0,0,0,0|1,0,1]=4 163 B11R1.21 CC1=C(C)C=C(C(N)=O)C=C1 ACI-03953 [0,2,0,0,0,0|1,0,1]=4 164 B11R1.21 CC1=CC=C(C(N)=S)C=C1F WS-04A-009 [0,2,0,0,0,0|1,0,1]=4 165 B7R1.2 CC1=CC(C)=NN1 ACI-00749 [1,0,0,0,1,0|2,0,0]=4