0 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 ACI-01697 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 ACI-01700 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.20 N=C(N)CC1=CC=C(F)C=C1 ACI-01698 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 RH-08K-004 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.20 NC(=S)CC1=CC=C(Br)C=C1 ACI-NI-00199 [0,0,0,0,0,0|3,1,0]=4 5 B11R1.20 NC(N)=NC1=CC=C(Cl)C=C1 ACI-00070 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 ACI-05800 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.18 N=C(N)NC1=CC=CC=C1 ACI-04704 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [1,0,0,0,0,0|2,1,0]=4 9 B10R1.18 NC(N)=NC1=CC=CC=C1 ACI-00069 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 ACI-05058 [0,1,0,0,0,0|1,0,0]=2 11 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 ACI-04703 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 ACI-02273 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.49 O=C(CBr)NC1=CC=C(Cl)C=C1 WS-04E-003 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.233 CC(=O)CC1=C(C)C=C(Cl)C=C1 ACI-05056 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.233 O=C(Cl)CC1=C(F)C=C(F)C=C1 ACI-05792 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.233 O=C(Cl)CC1=CC=C(Cl)C=C1Cl ACI-05796 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)S1 ACI-00966 [0,0,0,1,0,0|2,1,0]=4 18 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 ACI-02618 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [0,0,0,0,1,0|2,0,0]=3 20 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [0,0,0,0,1,0|2,0,0]=3 21 B10R1.13 CC1=CC=C(C(=N)N)C=N1 ACI-02505 [0,0,0,0,1,0|3,0,0]=4 22 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [0,0,0,0,1,0|2,0,0]=3 23 B10R1.13 CC1=CN=C(C(=N)N)C=C1 RH-08K-006 [0,0,0,0,1,0|3,0,0]=4 24 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [0,0,0,0,1,0|2,0,0]=3 25 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 ACI-01779 [0,0,0,0,1,0|3,0,0]=4 26 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 ACI-NI-00221 [0,0,0,0,1,0|3,0,0]=4 27 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ACI-01689 [0,0,0,0,1,0|3,0,0]=4 28 B10R1.13 N=C(N)C1=CC=C(F)C=C1 ACI-NI-00230 [0,0,0,0,1,0|3,0,0]=4 29 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ACI-05362 [0,0,0,0,1,0|3,0,0]=4 30 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [0,0,0,0,1,0|2,0,0]=3 31 B10R1.13 NC(=O)C1=CC=C(F)N=C1 ACI-05369 [0,0,0,0,1,0|3,0,0]=4 32 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 ACI-05390 [0,0,0,0,1,0|3,0,0]=4 33 B10R1.13 NC(=O)C1=NC=C(F)C=C1 ACI-05447 [0,0,0,0,1,0|3,0,0]=4 34 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 ACI-NI-00222 [0,0,0,0,1,0|2,1,0]=4 35 B10R1.13 NC(=S)C1=CC=C(F)C=C1 ACI-NI-00231 [0,0,0,0,1,0|2,1,0]=4 36 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 ACI-00319 [0,0,0,0,1,0|3,0,0]=4 37 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 ACI-00437 [0,0,0,0,1,0|3,0,0]=4 38 B10R1.13 O=C(Cl)C1=NC=C(Br)C=C1 ACI-01622 [0,0,0,0,1,0|3,0,0]=4 39 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 ACI-03847 [0,0,0,0,1,0|3,0,0]=4 40 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [0,0,0,0,1,0|3,0,0]=4 41 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [0,0,0,0,1,0|3,0,0]=4 42 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [0,0,0,0,1,0|3,0,0]=4 43 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 FD-09B-003 [0,0,0,0,0,1|1,1,0]=3 44 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 ACI-01232 [0,0,0,0,0,1|2,0,0]=3 45 B12R1.21 CC1=CC=C(OCC(=N)N)C=C1 ACI-05110 [0,0,0,0,0,1|2,0,0]=3 46 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 ACI-05910 [0,0,0,0,0,1|2,0,0]=3 47 B12R1.21 N=C(N)COC1=CC=C(Br)C=C1 ACI-05156 [0,0,0,0,0,1|3,0,0]=4 48 B12R1.21 N=C(N)COC1=CC=C(Cl)C=C1 ACI-05103 [0,0,0,0,0,1|3,0,0]=4 49 B12R1.21 N=C(N)COC1=CC=C(F)C=C1 ACI-05149 [0,0,0,0,0,1|3,0,0]=4 50 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 ACI-05916 [0,0,0,0,0,1|3,0,0]=4 51 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 ACI-05909 [0,0,0,0,0,1|3,0,0]=4 52 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 ACI-05915 [0,0,0,0,0,1|3,0,0]=4 53 B9R1.1 COC1=CC=[N+]([O-])C=C1 WS-03E-001 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.1 O=CC1=CC=C(Br)C=N1 ACI-04980 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [2,0,0,0,0,0|1,0,0]=3 56 B11R1.1 CC1=CC=C(OCC#N)C=C1 ACI-05112 [1,1,0,0,0,0|0,0,2]=4 57 B11R1.1 CC1=CC=C(\C=C\CO)C=C1 ACI-05923 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 ACI-05929 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.1 OC\C=C\C1=CC=C(Cl)C=C1 ACI-05922 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.1 OC\C=C\C1=CC=C(F)C=C1 ACI-05928 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.22 COC(=N)C1=CC=C(C)C=C1 ACI-01594 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.83 CNCC1=CC=C(OC)C=C1 WS-05I-015 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ACI-01811 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ACI-05777 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 ACI-05057 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.86 CC1=CC=CC=C1CC(=O)Cl ACI-05798 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.86 NC(=O)CC1=C(I)C=CC=C1 ACI-05460 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 ACI-05793 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.86 O=C(Cl)CC1=C(I)C=CC=C1 ACI-05161 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.157 NC(=O)CC1=CC(Br)=CC=C1 ACI-05461 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.157 O=C(Cl)CC1=CC=CC(Br)=C1 ACI-05162 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.157 O=C(Cl)CC1=CC=CC(Cl)=C1 ACI-05795 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.157 O=C(Cl)CC1=CC=CC(F)=C1 ACI-05799 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.3 COC1=CC=C(C(=N)N)C=C1 ACI-NI-00262 [0,1,0,0,1,0|2,0,0]=4 75 B11R1.3 COC1=CC=C(C(N)=S)C=C1 ACI-NI-00263 [0,1,0,0,1,0|1,1,0]=4 76 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 ACI-05253 [0,1,0,0,1,0|1,0,0]=3 77 B11R1.21 CC(=O)C1=CC=C(N)C(N)=C1 JM-11E-001 [0,1,0,0,1,0|1,0,0]=3 78 B11R1.21 CC1=C(Br)C=CC(C(=O)Cl)=C1 ACI-03963 [0,1,0,0,1,0|2,0,0]=4 79 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 ACI-03954 [0,1,0,0,1,0|2,0,0]=4 80 B11R1.21 CC1=C(C)C=C(C(=N)N)C=C1 ACI-03942 [0,1,0,0,1,0|2,0,0]=4 81 B11R1.21 CC1=C(C)C=C(C(N)=O)C=C1 ACI-03953 [0,1,0,0,1,0|1,0,0]=3 82 B11R1.21 CC1=CC=C(C(N)=S)C=C1F WS-04A-009 [0,1,0,0,1,0|1,1,0]=4 83 B11R1.21 NC(=O)C1=CC(F)=C(Br)C=C1 ACI-02957 [0,1,0,0,1,0|2,0,0]=4 84 B11R1.21 NC(=O)C1=CC=C(Br)C(Cl)=C1 ACI-05401 [0,1,0,0,1,0|2,0,0]=4 85 B11R1.21 NC(=O)C1=CC=C(Cl)C(Br)=C1 ACI-05400 [0,1,0,0,1,0|2,0,0]=4 86 B11R1.21 O=C(Cl)C1=CC(Br)=C(Cl)C=C1 ACI-01748 [0,1,0,0,1,0|2,0,0]=4 87 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Br)C=C1 ACI-01750 [0,1,0,0,1,0|2,0,0]=4 88 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 ACI-03967 [0,1,0,0,1,0|2,0,0]=4 89 B11R1.21 O=C(O)C1=CC=C(O)C(I)=C1 ACI-02694 [0,1,0,0,1,0|2,0,0]=4 90 B11R1.166 CC1=C(C(=O)Cl)C=CC(Br)=C1 ACI-03965 [0,1,0,0,1,0|2,0,0]=4 91 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 ACI-03955 [0,1,0,0,1,0|2,0,0]=4 92 B11R1.166 CC1=CC=C(C(=O)Cl)C(Br)=C1 ACI-01767 [0,1,0,0,1,0|1,0,0]=3 93 B11R1.166 CC1=CC=C(C(N)=O)C(Br)=C1 ACI-05403 [0,1,0,0,1,0|1,0,0]=3 94 B11R1.166 CC1=CC=C(C(N)=O)C(Cl)=N1 ACI-05353 [0,1,0,0,1,0|2,0,0]=4 95 B11R1.166 CC1=CN=C(C(N)=O)C(N)=C1 WS-03K-001 [0,1,0,0,1,0|2,0,0]=4 96 B11R1.166 NC(=O)C1=C(F)C=C(Br)C=C1 ACI-03956 [0,1,0,0,1,0|2,0,0]=4 97 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Cl ACI-05399 [0,1,0,0,1,0|2,0,0]=4 98 B11R1.166 O=C(Cl)C1=C(F)C=C(Br)C=C1 ACI-03966 [0,1,0,0,1,0|2,0,0]=4 99 B11R1.166 O=C(Cl)C1=CC=C(Br)C=C1Cl ACI-01735 [0,1,0,0,1,0|2,0,0]=4 100 B13R1.3 COC1=CC=C(OCC(=N)N)C=C1 ACI-05121 [0,1,0,0,0,1|2,0,0]=4 101 B13R1.14 CC1=CC=C(OC\C(N)=N\O)C=C1 ACI-05111 [0,1,0,0,0,1|1,0,1]=4 102 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 ACI-05249 [0,1,0,0,0,1|2,0,0]=4 103 B13R1.14 COC(=O)COC1=CC=C(O)C=C1 JM-14I-001 [0,1,0,0,0,1|1,0,0]=3 104 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 ACI-04770 [0,1,0,0,0,1|1,0,0]=3 105 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 ACI-04771 [0,1,0,0,0,1|2,0,0]=4 106 B13R1.164 CC(=O)\C=C\C1=CC=C(Cl)C=C1Cl ACI-01217 [0,1,0,0,0,1|2,0,0]=4 107 B13R1.653 CC(=O)OC1=CC=C(C=O)C=C1Br SB-14A-002 [0,2,0,0,0,0|0,0,1]=3 108 B13R1.653 COC1=CC=C(NC(C)=O)C(N)=C1 JM-03A-001 [0,2,0,0,0,0|1,0,0]=3 109 B13R1.876 CC(=O)NC1=C(N)C=C(F)C(Cl)=C1 ACI-00372 [0,2,0,0,0,0|2,0,0]=4 110 B13R1.21 COC(=O)C(N)C1=CC=C(Cl)C=C1 WS-05D-003 [0,2,0,0,0,0|2,0,0]=4 111 B11R2.36 NC1=CC2=C(C=C1)OC=C2 ACI-05788 [1,0,0,1,0,0|1,0,1]=4 112 B11R2.36 OC1=CC2=C(C=C1)OC=C2 ACI-05787 [1,0,0,1,0,0|1,0,1]=4 113 B11R2.10 S=C1CC2=CC=CC=C2N1 ACI-00937 [1,0,0,1,0,0|1,1,0]=4 114 B13R2.155 O=C1COC2=CC=C(O)C=C2N1 JM-08B-002 [0,0,0,1,0,1|2,0,0]=4 115 B13R2.43 CC1=CC2=C(C=C1)SC(C=O)=C2 ACI-02137 [0,1,0,1,0,0|0,1,1]=4 116 B13R2.43 CC1=CC2=C(C=C1)SC(CO)=C2 ACI-02138 [0,1,0,1,0,0|1,1,0]=4 117 B13R2.43 CC1=CC=C2OC(C#N)=CC2=C1 ACI-04991 [0,1,0,1,0,0|1,0,1]=4 118 B13R2.43 CC1=CC=C2SC(CBr)=CC2=C1 ACI-02514 [0,1,0,1,0,0|1,1,0]=4 119 B13R2.43 ClCC1=NC2=CC(Br)=CC=C2O1 ACI-00810 [0,1,0,1,0,0|2,0,0]=4 120 B13R2.43 NCC1=CC2=CC(Br)=CC=C2O1 ACI-04706 [0,1,0,1,0,0|2,0,0]=4 121 B13R2.43 OCC1=CC2=CC(Br)=CC=C2O1 ACI-04707 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.5397 O=C1CC2=CC(Br)=CC(Br)=C2N1 ACI-00015 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.35 CC(=O)C1=CC(C)=NS1 ACI-NI-00751 [0,0,0,0,2,0|2,0,0]=4 124 B9R1.35 CC1=CSC(C(=O)Cl)=C1 RH-06B-005 [0,0,0,0,2,0|2,0,0]=4 125 B9R1.35 CC1=CSC(C(N)=O)=C1 ACI-05409 [0,0,0,0,2,0|2,0,0]=4 126 B11R1.91 CC(=O)COC1=CC=CC=C1 ACI-01577 [1,0,0,0,0,1|0,0,0]=2 127 B11R1.91 N=C(N)COC1=CC=CC=C1 ACI-05139 [1,0,0,0,0,1|2,0,0]=4 128 B11R1.91 O=C(O)COC1=CC=C[NH+]=C1 WS-05B-008 [1,0,0,0,0,1|2,0,0]=4 129 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 ACI-04356 [0,0,0,0,0,2|2,0,0]=4 130 B13R1.513 O=C(O)COCC1=CC=C(Br)C=C1 FD-11A-001 [0,0,0,0,0,2|2,0,0]=4