0 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [0,0,0,0,0,0|1,0,1]=2 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|4,0,0]=4 3 B9R1.1 ClCC1=CC=C(Cl)C=N1 ACI-04823 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.1 ClCC1=CC=C(Cl)C=N1 JM-011C-001 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.1 ClCC1=CN=C(Cl)C=C1 ACI-01442 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.1 N#CC1=CC=C(Cl)N=C1 ACI-NI-00401 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.1 NCC1=CC=C(Cl)N=C1 ACI-01399 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.1 NNC1=CC=C(F)N=C1 ACI-04198 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.1 NNC1=CC=C(I)C=C1 ACI-00329 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.1 O=CC1=CC=C(Cl)N=N1 ACI-02604 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.1 OCC1=CC=C(Cl)C=N1 ACI-04824 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.1 OCC1=CN=C(Cl)C=C1 ACI-00428 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [1,0,0,0,0,0|1,0,0]=2 17 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [1,0,0,0,0,0|1,0,0]=2 18 B8R1.3 ClC1=NN=C(I)C=C1 ACI-00522 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.3 NC1=NC=C(I)C=C1 ACI-00985 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.1 O=C=NC1=CN=C(Cl)C=C1 SB-08E-001 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.3 C#CC1=CC=C(CO)C=C1 ACI-05708 [0,1,0,0,0,0|1,0,2]=4 22 B10R1.3 N#CC1=CC=C(C=O)N=C1 ACI-04981 [0,1,0,0,0,0|1,0,2]=4 23 B10R1.3 N#CC1=CC=C(CBr)N=C1 ACI-00463 [0,1,0,0,0,0|1,0,1]=3 24 B10R1.3 N#CC1=CC=C(CO)N=C1 ACI-04982 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.3 N#CC1=NC=C(CBr)C=C1 SB-02B-001 [0,1,0,0,0,0|1,0,1]=3 26 B10R1.3 O=CC1=CC=C(CBr)C=C1 ACI-02372 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.3 OCC1=CC=C(CCl)C=C1 ACI-03865 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [0,1,0,0,0,0|1,0,1]=3 29 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 ACI-05159 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.13 CC1=CC=C(C(=N)N)C=N1 ACI-02505 [0,1,0,0,0,0|1,0,1]=3 32 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [0,1,0,0,0,0|1,0,1]=3 33 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 ACI-01779 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.13 N=C(N)C1=CN=C(Cl)C=C1 ACI-NI-00209 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ACI-05362 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.13 NC(=O)C1=CC=C(F)N=C1 ACI-05369 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.13 NC(=S)C1=CN=C(Cl)C=C1 ACI-NI-00213 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.13 NC(=S)C1=CN=C(O)C=C1 SB-16B-002 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 ACI-00319 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 ACI-00437 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.25 CC1=CC=C(C#N)C(Cl)=N1 ACI-01441 [0,1,0,0,0,0|1,0,1]=3 44 B10R1.25 CC1=CC=C(C#N)C(O)=N1 ACI-NI-00169 [0,1,0,0,0,0|1,0,1]=3 45 B10R1.25 CC1=CC=C(CO)C(O)=N1 JM-12C-003 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.25 CC1=NC=C(C#N)C(N)=N1 ACI-01355 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.25 COC1=C(N)C=C(Cl)N=N1 RH-15J-001 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.25 COC1=CC=C(Br)N=C1Br ACI-03880 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.25 COC1=CC=C(N)N=C1Br ACI-01397 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.25 COC1=NN=C(N)C=C1Cl JM-12G-001 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.25 ClC1=NC(Cl)=C(CI)C=N1 ACI-01994 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.25 ClCC1=C(Cl)N=C(Cl)N=C1 ACI-01993 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.176 CC1=C(I)C=C(CO)C=C1 ACI-05610 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.176 CC1=CC=C(CBr)C=C1I ACI-05617 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.176 ClC1=CC=C(CBr)C=C1I ACI-05618 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.176 ClCC1=CC(Cl)=C(Cl)N=C1 RH-10J-001 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.176 N#CC1=CN=C(N)C(Br)=C1 RH-12E-001 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.176 O=CC1=CC(Br)=C(Cl)N=C1 ACI-00868 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.176 OCC1=CC(I)=C(Cl)C=C1 ACI-05611 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.1 CC1=CC(CBr)=NO1 ACI-00511 [0,0,0,0,1,0|3,0,0]=4 61 B8R1.1 CC1=CC(CCl)=NO1 ACI-00252 [0,0,0,0,1,0|3,0,0]=4 62 B8R1.1 CC1=CC(CN)=NO1 JM-11D-001 [0,0,0,0,1,0|3,0,0]=4 63 B8R1.1 CC1=CC(CO)=NO1 ACI-00368 [0,0,0,0,1,0|3,0,0]=4 64 B8R1.1 CC1=NC(C=O)=CO1 SB-08H-004 [0,0,0,0,1,0|2,0,1]=4 65 B8R1.1 CC1=NC(CCl)=CS1 ACI-00968 [0,0,0,0,1,0|2,0,0]=3 66 B8R1.1 CC1=NC(CCl)=NO1 ACI-00542 [0,0,0,0,1,0|3,0,0]=4 67 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [0,0,0,0,1,0|2,0,1]=4 68 B8R1.1 CC1=NOC(C=O)=C1 RH-06C-002 [0,0,0,0,1,0|2,0,1]=4 69 B8R1.1 CC1=NOC(CBr)=C1 ACI-01825 [0,0,0,0,1,0|2,0,0]=3 70 B8R1.1 CC1=NOC(CN)=C1 JM-05I-002 [0,0,0,0,1,0|2,0,0]=3 71 B8R1.1 CC1=NOC(CO)=C1 RH-08E-002 [0,0,0,0,1,0|2,0,0]=3 72 B8R1.1 CC1=NSC(C#N)=C1 ACI-00535 [0,0,0,0,1,0|2,0,1]=4 73 B8R1.1 CC1=NSC(C=O)=C1 ACI-NI-00725 [0,0,0,0,1,0|2,0,1]=4 74 B8R1.1 CN1C=C(C=O)C=N1 ACI-01990 [0,0,0,0,1,0|2,0,1]=4 75 B8R1.1 CN1C=CC(CCl)=N1 ACI-01838 [0,0,0,0,1,0|2,0,0]=3 76 B8R1.1 CN1C=CC(CO)=N1 RH-06L-001 [0,0,0,0,1,0|2,0,0]=3 77 B8R1.1 NC1=NC(CCl)=CS1 ACI-00675 [0,0,0,0,1,0|3,0,0]=4 78 B8R1.1 NCC1=CN=C(Br)S1 ACI-04677 [0,0,0,0,1,0|3,0,0]=4 79 B8R1.1 OCC1=CN=C(Br)S1 ACI-03791 [0,0,0,0,1,0|3,0,0]=4 80 B7R1.3 ClC1=CC=CN=N1 ACI-04746 [2,0,0,0,0,0|2,0,0]=4 81 B7R1.3 NC1=CC=NC=N1 ACI-03852 [2,0,0,0,0,0|2,0,0]=4 82 B7R1.3 OC1=CC=CN=N1 ACI-04745 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.2 CNC1=NC(Cl)=CN=C1 ACI-02178 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [1,1,0,0,0,0|1,0,0]=3 85 B9R1.2 ClCC1=CC(Br)=CN=C1 SB-09E-005 [1,1,0,0,0,0|1,0,0]=3 86 B9R1.2 OCC1=CC(Br)=CN=C1 ACI-01412 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.6 N=C(N)C1=CC=CN=C1 ACI-00003 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [1,1,0,0,0,0|1,0,0]=3 91 B9R1.15 ClCC1=CC=CC=C1Br ACI-03860 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.15 ClCC1=CC=CN=C1Cl WS-02I-002 [1,1,0,0,0,0|1,0,0]=3 93 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.15 O=CC1=CC=CN=C1Br WS-02K-001 [1,1,0,0,0,0|1,0,1]=4 95 B9R1.15 O=CC1=CC=CN=C1Cl WS-02I-001 [1,1,0,0,0,0|1,0,1]=4 96 B9R1.15 OCC1=CC=CN=C1Cl ACI-NI-00467 [1,1,0,0,0,0|1,0,0]=3 97 B9R1.69 CC1=C(Br)C=C(S)C=C1 ACI-02349 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.69 CC1=C(Cl)N=CC(N)=C1 ACI-NI-00759 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.69 CC1=CC(Br)=C(S)C=C1 ACI-02406 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.69 CC1=CC(Br)=CN=C1N ACI-00411 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.69 CC1=CC=C(N)C(N)=N1 ACI-04395 [1,1,0,0,0,0|1,0,0]=3 102 B9R1.69 CC1=CC=C(N)C(S)=C1 ACI-04795 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.69 CC1=CC=C(O)C(Br)=N1 ACI-00986 [1,1,0,0,0,0|1,0,0]=3 104 B9R1.69 CC1=CC=C(O)C(I)=N1 ACI-01009 [1,1,0,0,0,0|1,0,0]=3 105 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 ACI-00843 [1,1,0,0,0,0|1,0,0]=3 106 B9R1.69 CC1=CN=C(Cl)C(Br)=C1 ACI-00863 [1,1,0,0,0,0|1,0,0]=3 107 B9R1.69 CC1=CN=C(Cl)N=C1Cl ACI-01013 [1,1,0,0,0,0|2,0,0]=4 108 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-00837 [1,1,0,0,0,0|1,0,0]=3 109 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-01625 [1,1,0,0,0,0|1,0,0]=3 110 B9R1.69 FC1=CC(Br)=CN=C1I ACI-04370 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.69 NC1=C(I)C=C(F)N=C1 ACI-06271 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.69 NC1=C(I)C=C(F)N=C1 ACI-06273 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.69 NC1=CC(Cl)=CN=C1Cl ACI-00248 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.69 NC1=NC=C(Br)C=C1F JL-15A-001 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.69 OC1=C(Cl)N=C(I)C=C1 ACI-00389 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.69 OC1=CC=C(Br)N=C1Br ACI-03879 [1,1,0,0,0,0|2,0,0]=4 117 B9R1.69 OC1=NC=C(I)C=C1Cl ACI-00457 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.7 COCC1=NOC(C)=N1 ACI-05013 [0,1,0,0,1,0|2,0,0]=4 119 B9R1.22 CC1=NN(C)C(CCl)=C1 ACI-00853 [0,1,0,0,1,0|2,0,0]=4 120 B9R1.22 CC1=NN(C)C(CO)=C1 ACI-00854 [0,1,0,0,1,0|2,0,0]=4 121 B9R1.23 CCC1=NN(C)C(Cl)=C1 ACI-04721 [0,1,0,0,1,0|1,0,0]=3 122 B9R1.23 CCC1=NN(C)C(O)=C1 ACI-04719 [0,1,0,0,1,0|1,0,0]=3 123 B9R1.35 CC(=O)C1=CC(C)=NS1 ACI-NI-00751 [0,1,0,0,1,0|1,0,1]=4 124 B11R1.1 CC1=CC=C(OCC#N)C=C1 ACI-05112 [0,2,0,0,0,0|1,0,1]=4 125 B11R1.1 CC1=CC=C(\C=C\CO)C=C1 ACI-05923 [0,2,0,0,0,0|1,0,1]=4 126 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 ACI-01697 [0,2,0,0,0,0|1,0,1]=4 127 B11R1.22 CC1=CC=C(\C(N)=N\O)C=N1 ACI-02491 [0,2,0,0,0,0|1,0,1]=4 128 B11R1.22 COC(=N)C1=CC=C(C)C=C1 ACI-01594 [0,2,0,0,0,0|1,0,1]=4 129 B11R1.22 COC(=O)C1=CC=C(C)N=C1 ACI-01120 [0,2,0,0,0,0|0,0,1]=3 130 B11R1.22 COC(=O)C1=CC=C(N)N=C1 SB-07E-003 [0,2,0,0,0,0|1,0,1]=4 131 B11R1.83 CNCC1=CC=C(OC)C=C1 WS-05I-015 [0,2,0,0,0,0|1,0,0]=3 132 B11R1.279 COC1=CC=C(OC)C(Cl)=C1 ACI-04697 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=N1 ACI-NI-00765 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=N1 ACI-04575 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.19 FC(F)(F)C1=CN=C(Br)C=C1 ACI-00261 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.19 FC(F)(F)C1=CN=C(S)C=C1 ACI-05023 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.19 OC1=NC=C(C(F)(F)F)C=C1 ACI-NI-00188 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.166 CC1=CC=C(C(N)=O)C(Cl)=N1 ACI-05353 [0,2,0,0,0,0|1,0,1]=4 139 B11R1.464 CC1=CC(C)=C(C#N)C(Cl)=N1 WS-01E-003 [0,2,0,0,0,0|1,0,1]=4 140 B11R1.464 CC1=CC(C)=C(C#N)C(S)=N1 ACI-NI-00180 [0,2,0,0,0,0|1,0,1]=4 141 B11R1.280 CCC1=CC=C(O)C(C=O)=C1 JL-10I-001 [0,2,0,0,0,0|2,0,0]=4 142 B7R1.1 NCC1=CSC=C1 ACI-00305 [1,0,0,0,1,0|2,0,0]=4 143 B7R1.1 OCC1=CN=CN1 ACI-01502 [1,0,0,0,1,0|2,0,0]=4 144 B7R1.1 OCC1=CN=CS1 ACI-00689 [1,0,0,0,1,0|2,0,0]=4 145 B7R1.2 CC1=CC(C)=NN1 ACI-00749 [1,0,0,0,1,0|1,0,0]=3 146 B7R1.2 CC1=COC(N)=N1 ACI-00543 [1,0,0,0,1,0|2,0,0]=4 147 B7R1.2 CC1=CSC(N)=N1 RJC-04J-001 [1,0,0,0,1,0|2,0,0]=4 148 B7R1.2 CC1=NSC(Br)=C1 ACI-00534 [1,0,0,0,1,0|2,0,0]=4 149 B7R1.2 CC1=NSC(I)=C1 ACI-NI-00723 [1,0,0,0,1,0|2,0,0]=4 150 B7R1.2 CC1=NSC(N)=C1 ACI-00530 [1,0,0,0,1,0|2,0,0]=4 151 B7R1.2 CN1C=C(Cl)C=N1 ACI-01463 [1,0,0,0,1,0|2,0,0]=4 152 B7R1.2 CN1C=C(N)C=N1 ACI-03790 [1,0,0,0,1,0|2,0,0]=4 153 B7R1.2 CN1C=CC(Cl)=N1 ACI-02549 [1,0,0,0,1,0|2,0,0]=4 154 B7R1.2 CN1C=CC(N)=N1 ACI-00344 [1,0,0,0,1,0|2,0,0]=4