0 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.1 CC1=CN=C(C#N)C=C1 SB-02B-002 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.1 COC1=CC=[N+]([O-])C=C1 WS-03E-001 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.1 ClCC1=CC=C(Cl)C=N1 ACI-04823 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.1 ClCC1=CC=C(Cl)C=N1 JM-011C-001 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.1 ClCC1=CN=C(Cl)C=C1 ACI-01442 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.1 N#CC1=CC=C(Cl)N=C1 ACI-NI-00401 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.1 N#CC1=NC=C(F)C=C1 ACI-00992 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.1 NCC1=CC=C(Cl)N=C1 ACI-01399 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.1 NNC1=CC=C(F)N=C1 ACI-04198 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.1 NNC1=CC=C(I)C=C1 ACI-00329 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.1 O=CC1=CC=C(Br)C=N1 ACI-04980 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.1 O=CC1=CC=C(Cl)N=N1 ACI-02604 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.1 OCC1=CC=C(Cl)C=N1 ACI-04824 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.1 OCC1=CN=C(Cl)C=C1 ACI-00428 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.3 NC1=NC=C(I)C=C1 ACI-00985 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.3 [O-][N+]1=CC=C(Br)C=C1 ACI-03814 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.3 [O-][N+]1=CC=C(Cl)C=C1 ACI-00998 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 FD-09D-001 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.3 C#CC1=CC=C(CO)C=C1 ACI-05708 [0,1,0,0,0,0|0,0,2]=3 25 B10R1.3 N#CC1=CC=C(C=O)N=C1 ACI-04981 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.3 N#CC1=CC=C(CO)N=C1 ACI-04982 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.3 O=CC1=CC=C(CBr)C=C1 ACI-02372 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.3 OCC1=CC=C(CCl)C=C1 ACI-03865 [0,1,0,0,0,0|1,0,1]=3 29 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.13 CC1=CC=C(C(=N)N)C=N1 ACI-02505 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.13 CC1=CN=C(C(=N)N)C=C1 RH-08K-006 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 ACI-NI-00221 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ACI-01689 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.13 N=C(N)C1=CC=C(F)C=C1 ACI-NI-00230 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.13 N=C(N)C1=CN=C(Cl)C=C1 ACI-NI-00209 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ACI-05362 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.13 NC(=O)C1=CC=C(F)N=C1 ACI-05369 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 ACI-05390 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.13 NC(=O)C1=NC=C(F)C=C1 ACI-05447 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 ACI-NI-00222 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.13 NC(=S)C1=CC=C(F)C=C1 ACI-NI-00231 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.13 NC(=S)C1=CN=C(Cl)C=C1 ACI-NI-00213 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.13 NC(=S)C1=CN=C(O)C=C1 SB-16B-002 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 ACI-00319 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 ACI-00437 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.13 O=C(Cl)C1=NC=C(Br)C=C1 ACI-01622 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 ACI-03847 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.13 O=C(O)C1=CC=C(O)N=N1 JL-11I-004 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.25 CC1=C(NN)C=CC(Cl)=C1 FD-10E-004 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.25 CC1=C(NN)C=CC(F)=C1 ACI-04083 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.25 NNC1=C(Br)C=C(F)C=C1 ACI-02453 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 ACI-03975 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.25 NNC1=CC=C(F)C=C1F ACI-00273 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.176 CC1=C(I)C=C(CO)C=C1 ACI-05610 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.176 CC1=CC(NN)=CC=C1Cl FD-10E-001 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.176 CC1=CC=C(CBr)C=C1I ACI-05617 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.176 ClC1=CC=C(CBr)C=C1I ACI-05618 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.176 N#CC1=CC=C(N)C(Cl)=C1 ACI-00365 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.176 O=CC1=CC(Br)=C(Cl)N=C1 ACI-00868 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.176 OCC1=CC(I)=C(Cl)C=C1 ACI-05611 [0,1,0,0,0,0|2,0,1]=4 68 B8R1.1 O=CC1=CC(I)=CS1 ACI-02692 [0,0,0,0,1,0|3,0,0]=4 69 B7R1.3 OC1=CC=CN=N1 ACI-04745 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.2 O=CC1=CC(Cl)=NC=C1 ACI-00432 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.2 O=CC1=NC(Br)=CC=C1 TB-05D-001 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.6 N=C(N)C1=CC=CC=N1 ACI-NI-00265 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.6 N=C(N)C1=CC=CN=C1 ACI-00003 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.6 N=C(N)C1=CC=NC=C1 ACI-NI-00269 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.6 NC(=S)C1=CC=CC=N1 ACI-NI-00266 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [1,1,0,0,0,0|1,0,1]=4 77 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [1,1,0,0,0,0|1,0,0]=3 78 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [1,1,0,0,0,0|1,0,1]=4 79 B9R1.15 ClCC1=CC=CC=C1Br ACI-03860 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.15 O=CC1=CC=CN=C1Br WS-02K-001 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.15 O=CC1=CC=CN=C1Cl WS-02I-001 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.69 CC1=C(Br)C=C(S)C=C1 ACI-02349 [1,1,0,0,0,0|0,1,1]=4 84 B9R1.69 CC1=CC(Br)=C(S)C=C1 ACI-02406 [1,1,0,0,0,0|0,1,1]=4 85 B9R1.69 CC1=CC(S)=CC=C1Br ACI-02413 [1,1,0,0,0,0|1,1,0]=4 86 B9R1.69 CC1=CC=C(N)C(S)=C1 ACI-04795 [1,1,0,0,0,0|1,0,1]=4 87 B9R1.69 CC1=CC=C(O)C(Br)=N1 ACI-00986 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.69 CC1=CC=C(O)C(I)=N1 ACI-01009 [1,1,0,0,0,0|1,0,1]=4 89 B9R1.69 FC1=CC(Br)=CC=C1S ACI-02559 [1,1,0,0,0,0|1,1,0]=4 90 B9R1.69 FC1=CC(S)=CC=C1Br ACI-02581 [1,1,0,0,0,0|1,1,0]=4 91 B9R1.69 FC1=CC=C(Br)C(S)=C1 ACI-02557 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.69 FC1=CC=C(Br)C=C1S ACI-02554 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.69 FC1=CC=C(S)C(Br)=C1 ACI-02564 [1,1,0,0,0,0|1,1,0]=4 94 B9R1.69 FC1=CC=C(S)C=C1Br ACI-02567 [1,1,0,0,0,0|1,1,0]=4 95 B9R1.69 NC1=C(Cl)C=C(F)C=C1 ACI-04608 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.69 NC1=C(O)C=CC(O)=C1 ACI-06428 [1,1,0,0,0,0|1,0,0]=3 97 B9R1.69 NC1=CC=C(Br)C=C1N ACI-01651 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.69 NC1=CC=C(Br)C=C1S ACI-04794 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.69 NC1=CC=C(Cl)C=C1S ACI-04793 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.69 NC1=CC=C(I)C=C1N ACI-01596 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.69 OC1=C(Cl)N=C(I)C=C1 ACI-00389 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.69 OC1=CC=C(Br)N=C1Br ACI-03879 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.69 OC1=NC=C(I)C=C1Cl ACI-00457 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.1 CC1=CC=C(\C=C\CO)C=C1 ACI-05923 [0,2,0,0,0,0|1,0,0]=3 105 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 ACI-05929 [0,2,0,0,0,0|1,0,0]=3 106 B11R1.1 OC\C=C\C1=CC=C(Cl)C=C1 ACI-05922 [0,2,0,0,0,0|1,0,0]=3 107 B11R1.1 OC\C=C\C1=CC=C(F)C=C1 ACI-05928 [0,2,0,0,0,0|1,0,0]=3 108 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 ACI-01697 [0,2,0,0,0,0|1,0,1]=4 109 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 ACI-01700 [0,2,0,0,0,0|1,0,1]=4 110 B11R1.20 N=C(N)CC1=CC=C(F)C=C1 ACI-01698 [0,2,0,0,0,0|1,0,1]=4 111 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 RH-08K-004 [0,2,0,0,0,0|1,0,1]=4 112 B11R1.20 NC(=S)CC1=CC=C(Br)C=C1 ACI-NI-00199 [0,2,0,0,0,0|1,0,1]=4 113 B11R1.20 NC(N)=NC1=CC=C(Cl)C=C1 ACI-00070 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 ACI-05800 [0,2,0,0,0,0|1,0,1]=4 115 B11R1.22 COC(=N)C1=CC=C(C)C=C1 ACI-01594 [0,2,0,0,0,0|1,0,1]=4 116 B11R1.22 COC(=O)C1=NC=C(O)C=C1 JM-05D-002 [0,2,0,0,0,0|1,0,1]=4 117 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 ACI-01724 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 ACI-NI-00220 [0,2,0,0,0,0|2,0,0]=4 119 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 ACI-01635 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 ACI-NI-00229 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 ACI-00490 [0,2,0,0,0,0|1,0,1]=4 122 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 ACI-NI-00061 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.83 CNCC1=CC=C(OC)C=C1 WS-05I-015 [0,2,0,0,0,0|0,0,2]=4 124 B11R1.83 COC1=CC=C(\C=N\O)C=C1 ACI-01782 [0,2,0,0,0,0|1,0,0]=3 125 B11R1.192 O\N=C\C1=CC=C(Cl)C(Cl)=C1 ACI-01692 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.3 COC1=CC=C(C(=N)N)C=C1 ACI-NI-00262 [0,2,0,0,0,0|1,0,0]=3 127 B11R1.3 COC1=CC=C(C(N)=S)C=C1 ACI-NI-00263 [0,2,0,0,0,0|1,0,0]=3 128 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 ACI-05253 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.279 COC1=CC=C(NN)C(C)=C1 ACI-04726 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.279 COC1=CC=C(OC)C(Cl)=C1 ACI-04697 [0,2,0,0,0,0|1,0,1]=4 131 B11R1.21 CC(=O)C1=CC=C(N)C(N)=C1 JM-11E-001 [0,2,0,0,0,0|1,0,1]=4 132 B11R1.21 CC1=C(Br)C=CC(C(=N)N)=C1 ACI-03943 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.21 CC1=C(Br)C=CC(C(=O)Cl)=C1 ACI-03963 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 ACI-03954 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.21 CC1=C(C)C=C(C(=N)N)C=C1 ACI-03942 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.21 CC1=C(C)C=C(C(N)=O)C=C1 ACI-03953 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.21 CC1=CC=C(C(N)=S)C=C1F WS-04A-009 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.21 N=C(N)C1=CC(F)=C(Br)C=C1 ACI-03946 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.21 N=C(N)C1=CC(F)=C(F)C=C1 ACI-01052 [0,2,0,0,0,0|2,0,0]=4 140 B11R1.21 NC(=O)C1=CC(F)=C(Br)C=C1 ACI-02957 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.21 NC(=O)C1=CC=C(Br)C(Cl)=C1 ACI-05401 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.21 NC(=O)C1=CC=C(Cl)C(Br)=C1 ACI-05400 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.21 O=C(Cl)C1=CC(Br)=C(Cl)C=C1 ACI-01748 [0,2,0,0,0,0|2,0,0]=4 144 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Br)C=C1 ACI-01750 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 ACI-03967 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 ACI-00122 [0,2,0,0,0,0|2,0,0]=4 147 B11R1.21 O=C(O)C1=CC(Cl)=C(O)N=C1 ACI-01690 [0,2,0,0,0,0|2,0,0]=4 148 B11R1.21 O=C(O)C1=CC=C(O)C(I)=C1 ACI-02694 [0,2,0,0,0,0|1,0,0]=3 149 B11R1.166 CC1=C(C(=N)N)C=CC(Br)=C1 ACI-03944 [0,2,0,0,0,0|2,0,0]=4 150 B11R1.166 CC1=C(C(=O)Cl)C=CC(Br)=C1 ACI-03965 [0,2,0,0,0,0|2,0,0]=4 151 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 ACI-03955 [0,2,0,0,0,0|2,0,0]=4 152 B11R1.166 CC1=CC=C(C(=O)Cl)C(Br)=C1 ACI-01767 [0,2,0,0,0,0|2,0,0]=4 153 B11R1.166 CC1=CC=C(C(N)=O)C(Br)=C1 ACI-05403 [0,2,0,0,0,0|2,0,0]=4 154 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 ACI-03945 [0,2,0,0,0,0|2,0,0]=4 155 B11R1.166 N=C(N)C1=C(F)C=C(F)C=C1 ACI-00232 [0,2,0,0,0,0|2,0,0]=4 156 B11R1.166 NC(=O)C1=C(F)C=C(Br)C=C1 ACI-03956 [0,2,0,0,0,0|2,0,0]=4 157 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Cl ACI-05399 [0,2,0,0,0,0|2,0,0]=4 158 B11R1.166 O=C(Cl)C1=C(F)C=C(Br)C=C1 ACI-03966 [0,2,0,0,0,0|2,0,0]=4 159 B11R1.166 O=C(Cl)C1=CC=C(Br)C=C1Cl ACI-01735 [0,2,0,0,0,0|2,0,0]=4 160 B11R1.166 O=C(O)C1=CC=C(O)N=C1Cl ACI-00424 [0,2,0,0,0,0|2,0,0]=4 161 B11R1.278 CC1=C(Cl)C(F)=C(C=O)C=C1 ACI-05529 [0,2,0,0,0,0|2,0,0]=4 162 B11R1.14 N#CC1=CC(Br)=C(O)C(Br)=C1 ACI-00238 [0,2,0,0,0,0|1,0,1]=4 163 B11R1.280 CCC1=CC=C(O)C(C=O)=C1 JL-10I-001 [0,2,0,0,0,0|0,0,2]=4 164 B11R2.36 FC1=CN2C=CN=C2C=C1 ACI-04229 [0,1,0,1,0,0|2,0,0]=4 165 B11R2.36 NC1=CC2=C(C=C1)OC=C2 ACI-05788 [0,1,0,1,0,0|1,0,0]=3 166 B11R2.36 NC1=CC2=C(C=C1)SC=N2 ACI-00493 [0,1,0,1,0,0|2,0,0]=4 167 B11R2.36 OC1=CC2=C(C=C1)OC=C2 ACI-05787 [0,1,0,1,0,0|0,0,0]=2