0 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [1,0,0,0,0,0|2,0,0]=3 3 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 FD-09D-001 [0,1,0,0,0,0|2,0,1]=4 5 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06378 [0,1,0,0,0,0|3,0,0]=4 6 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06379 [0,1,0,0,0,0|3,0,0]=4 7 B10R1.10 CNCC1=NC(Br)=CC=C1 FD-09B-004 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [0,1,0,0,0,0|2,0,1]=4 9 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [0,1,0,0,0,0|1,0,1]=3 10 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ACI-00072 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.15 O=C(CBr)C1=CC=CN=C1 ACI-NI-00021 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.15 O=C(CBr)C1=CC=NC=C1 ACI-NI-00022 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.15 O=C(CBr)C1=NC=CC=C1 ACI-NI-00023 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.15 O\N=C(/Cl)C1=CC=CC=C1 RH-11K-001 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.17 C=CCNC1=CC=CN=C1 ACI-02637 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.17 N#CCOC1=CC=CC=C1 ACI-05140 [0,1,0,0,0,0|0,0,2]=3 19 B10R1.17 O=CNCC1=NC=CC=C1 ACI-01373 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.18 N=C(N)NC1=CC=CC=C1 ACI-04704 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [0,1,0,0,0,0|0,0,1]=2 23 B10R1.18 NC(N)=NC1=CC=CC=C1 ACI-00069 [0,1,0,0,0,0|1,0,1]=3 24 B8R1.8 NCCC1=CC=CS1 SB-11D-001 [0,0,0,0,1,0|1,0,0]=2 25 B7R1.3 NC1=CC=NC=N1 ACI-03852 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.1 COC1=CC=[N+]([O-])C=C1 WS-03E-001 [1,1,0,0,0,0|2,0,0]=4 27 B9R1.1 ClCC1=CC=C(Cl)C=N1 ACI-04823 [1,1,0,0,0,0|2,0,0]=4 28 B9R1.1 ClCC1=CC=C(Cl)C=N1 JM-011C-001 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.1 ClCC1=CN=C(Cl)C=C1 ACI-01442 [1,1,0,0,0,0|2,0,0]=4 30 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [1,1,0,0,0,0|1,0,0]=3 31 B9R1.1 NCC1=CC=C(Cl)N=C1 ACI-01399 [1,1,0,0,0,0|1,0,0]=3 32 B9R1.1 NCC1=NC=C(Cl)C=N1 ACI-02636 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.1 NNC1=CC=C(F)N=C1 ACI-04198 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.1 NNC1=CC=C(I)C=C1 ACI-00329 [1,1,0,0,0,0|1,0,0]=3 35 B9R1.1 OCC1=CC=C(Cl)C=N1 ACI-04824 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.1 OCC1=CN=C(Cl)C=C1 ACI-00428 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.2 ClCC1=CC(Br)=CN=C1 SB-09E-005 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.2 ClCC1=CC(Cl)=NC=C1 ACI-00425 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.2 OCC1=CC(Br)=CN=C1 ACI-01412 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.2 OCC1=CC(Cl)=NC=C1 ACI-00423 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.6 N=C(N)C1=CC=CC=N1 ACI-NI-00265 [1,1,0,0,0,0|1,0,1]=4 43 B9R1.6 N=C(N)C1=CC=CN=C1 ACI-00003 [1,1,0,0,0,0|1,0,1]=4 44 B9R1.6 N=C(N)C1=CC=NC=C1 ACI-NI-00269 [1,1,0,0,0,0|1,0,1]=4 45 B9R1.6 NC(=S)C1=CC=CC=N1 ACI-NI-00266 [1,1,0,0,0,0|1,0,1]=4 46 B9R1.15 CC1=CC=CN=C1NN ACI-01436 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [1,1,0,0,0,0|1,0,0]=3 48 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06376 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06377 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.15 ClCC1=CC=CC=C1Br ACI-03860 [1,1,0,0,0,0|1,0,0]=3 52 B9R1.15 ClCC1=CC=CN=C1Cl WS-02I-002 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [1,1,0,0,0,0|0,0,0]=2 54 B9R1.15 OCC1=CC=CN=C1Cl ACI-NI-00467 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.1 CC1=CC=C(OCC#N)C=C1 ACI-05112 [0,2,0,0,0,0|0,0,2]=4 56 B11R1.1 CC1=CC=C(\C=C\CO)C=C1 ACI-05923 [0,2,0,0,0,0|1,0,1]=4 57 B11R1.1 FC1=CC=C(CN=C=S)C=C1 JL-10F-002 [0,2,0,0,0,0|1,0,1]=4 58 B11R1.1 N#CCOC1=CC=C(Br)C=C1 ACI-05158 [0,2,0,0,0,0|0,0,2]=4 59 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 ACI-05101 [0,2,0,0,0,0|0,0,2]=4 60 B11R1.1 N#CCOC1=CC=C(F)C=C1 ACI-05147 [0,2,0,0,0,0|0,0,2]=4 61 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 ACI-05929 [0,2,0,0,0,0|1,0,1]=4 62 B11R1.1 OC\C=C\C1=CC=C(Cl)C=C1 ACI-05922 [0,2,0,0,0,0|1,0,1]=4 63 B11R1.1 OC\C=C\C1=CC=C(F)C=C1 ACI-05928 [0,2,0,0,0,0|1,0,1]=4 64 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 ACI-01697 [0,2,0,0,0,0|0,0,1]=3 65 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 ACI-01700 [0,2,0,0,0,0|0,0,1]=3 66 B11R1.20 N=C(N)CC1=CC=C(F)C=C1 ACI-01698 [0,2,0,0,0,0|0,0,1]=3 67 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 RH-08K-004 [0,2,0,0,0,0|0,0,1]=3 68 B11R1.20 NC(=S)CC1=CC=C(Br)C=C1 ACI-NI-00199 [0,2,0,0,0,0|0,0,1]=3 69 B11R1.20 NC(N)=NC1=CC=C(Cl)C=C1 ACI-00070 [0,2,0,0,0,0|1,0,1]=4 70 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 ACI-05800 [0,2,0,0,0,0|1,0,1]=4 71 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 ACI-01724 [0,2,0,0,0,0|1,0,1]=4 72 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 ACI-00490 [0,2,0,0,0,0|1,0,1]=4 73 B11R1.83 CNCC1=CC=C(OC)C=C1 WS-05I-015 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.17 CC1=C(OCC#N)C=CC=C1 ACI-05106 [0,2,0,0,0,0|0,0,2]=4 75 B11R1.17 CC1=CC=CC=C1\C=C\CO ACI-05925 [0,2,0,0,0,0|1,0,1]=4 76 B11R1.17 N#CCOC1=C(Br)C=CC=C1 ACI-05152 [0,2,0,0,0,0|0,0,2]=4 77 B11R1.17 N#CCOC1=C(F)C=CC=C1 ACI-05141 [0,2,0,0,0,0|0,0,2]=4 78 B11R1.17 N#CCOC1=CC=CC=C1Cl ACI-05096 [0,2,0,0,0,0|0,0,2]=4 79 B11R1.17 OC\C=C\C1=CC=CC=C1F ACI-05926 [0,2,0,0,0,0|1,0,1]=4 80 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 ACI-05057 [0,2,0,0,0,0|1,0,1]=4 81 B11R1.86 CC1=CC=CC=C1CC(=O)Cl ACI-05798 [0,2,0,0,0,0|1,0,1]=4 82 B11R1.86 NC(=O)CC1=C(I)C=CC=C1 ACI-05460 [0,2,0,0,0,0|0,0,1]=3 83 B11R1.86 NC(=S)CC1=CC=CC=C1Br ACI-NI-00198 [0,2,0,0,0,0|0,0,1]=3 84 B11R1.86 NC(=S)NC1=CC=CC=C1Cl ACI-00828 [0,2,0,0,0,0|1,0,1]=4 85 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 ACI-05793 [0,2,0,0,0,0|1,0,1]=4 86 B11R1.86 O=C(Cl)CC1=C(I)C=CC=C1 ACI-05161 [0,2,0,0,0,0|1,0,1]=4 87 B11R1.222 CCC(=O)C1=CC=CC=C1Br ACI-04019 [0,2,0,0,0,0|1,0,1]=4 88 B11R1.222 CCC(=O)C1=CC=CC=C1Cl ACI-04018 [0,2,0,0,0,0|1,0,1]=4 89 B11R1.222 NNC(=O)C1=CC=CC=C1Br ACI-01722 [0,2,0,0,0,0|1,0,1]=4 90 B11R1.222 NNC(=O)C1=CC=CC=C1F ACI-01726 [0,2,0,0,0,0|1,0,1]=4 91 B11R1.605 CNCC1=C(Cl)C=CC=C1Cl RH-10J-002 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.23 CC(C=O)C1=CC=CC(Br)=C1 ACI-05596 [0,2,0,0,0,0|1,0,1]=4 93 B11R1.23 NCC(=O)C1=CC(Cl)=CC=C1 SB-05H-089 [0,2,0,0,0,0|0,0,1]=3 94 B11R1.23 NNC(=O)C1=CC(Br)=CC=C1 ACI-01721 [0,2,0,0,0,0|1,0,1]=4 95 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 ACI-01728 [0,2,0,0,0,0|1,0,1]=4 96 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 ACI-01709 [0,2,0,0,0,0|1,0,1]=4 97 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 ACI-01713 [0,2,0,0,0,0|1,0,1]=4 98 B11R1.24 CC1=CC(\C=C\CO)=CC=C1 ACI-05924 [0,2,0,0,0,0|1,0,1]=4 99 B11R1.24 CC1=CC=CC(CCCO)=N1 ACI-01649 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.24 CC1=CC=CC(OCC#N)=C1 ACI-05107 [0,2,0,0,0,0|0,0,2]=4 101 B11R1.24 N#CCOC1=CC(Br)=CC=C1 ACI-05153 [0,2,0,0,0,0|0,0,2]=4 102 B11R1.24 N#CCOC1=CC(F)=CC=C1 ACI-05146 [0,2,0,0,0,0|0,0,2]=4 103 B11R1.24 N#CCOC1=CC=CC(Cl)=C1 ACI-05100 [0,2,0,0,0,0|0,0,2]=4 104 B11R1.24 OC\C=C\C1=CC=CC(Cl)=C1 ACI-05921 [0,2,0,0,0,0|1,0,1]=4 105 B11R1.24 OC\C=C\C1=CC=CC(F)=C1 ACI-05927 [0,2,0,0,0,0|1,0,1]=4 106 B11R1.34 N#CCC1=CC(Cl)=CC(Cl)=C1 WS-05I-006 [0,2,0,0,0,0|0,0,2]=4 107 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 ACI-01701 [0,2,0,0,0,0|0,0,1]=3 108 B11R1.157 NC(=O)CC1=CC(Br)=CC=C1 ACI-05461 [0,2,0,0,0,0|0,0,1]=3 109 B11R1.157 O=C(Cl)CC1=CC=CC(Br)=C1 ACI-05162 [0,2,0,0,0,0|1,0,1]=4 110 B11R1.157 O=C(Cl)CC1=CC=CC(Cl)=C1 ACI-05795 [0,2,0,0,0,0|1,0,1]=4 111 B11R1.157 O=C(Cl)CC1=CC=CC(F)=C1 ACI-05799 [0,2,0,0,0,0|1,0,1]=4 112 B11R1.12 C(C#N)(NC)C1=CC=CC=C1 ACI-NI-00463 [0,2,0,0,0,0|0,0,2]=4 113 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 ACI-01570 [0,2,0,0,0,0|1,0,1]=4 114 B11R1.28 N#CCOCC1=CC=CC=C1 ACI-04838 [0,2,0,0,0,0|0,0,1]=3 115 B11R1.28 NCCSCC1=CC=CC=C1 ACI-05254 [0,2,0,0,0,0|0,0,0]=2 116 B11R1.28 NCCSCC1=CC=CC=C1 ACI-05268 [0,2,0,0,0,0|0,0,0]=2 117 B11R1.28 OCCOCC1=CC=CC=C1 ACI-15284 [0,2,0,0,0,0|1,0,0]=3 118 B11R1.40 N#CC(Cl)CC1=CC=CC=C1 ACI-01611 [0,2,0,0,0,0|0,0,1]=3 119 B11R1.40 N\C(CC1=CC=CC=C1)=N/O ACI-00152 [0,2,0,0,0,0|0,0,1]=3 120 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ACI-01811 [0,2,0,0,0,0|1,0,1]=4 121 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ACI-05777 [0,2,0,0,0,0|1,0,1]=4 122 B11R1.91 CC(=O)COC1=CC=CC=C1 ACI-01577 [0,2,0,0,0,0|1,0,1]=4 123 B11R1.91 N=C(N)COC1=CC=CC=C1 ACI-05139 [0,2,0,0,0,0|0,0,1]=3 124 B11R1.91 N=C(N)NCC1=CC=CC=C1 ACI-01687 [0,2,0,0,0,0|0,0,1]=3 125 B11R1.91 NC(N)=NCC1=CC=CC=C1 ACI-00071 [0,2,0,0,0,0|0,0,1]=3 126 B11R2.36 NC1=CC2=C(C=C1)NN=N2 RJC-03E-005 [0,1,0,1,0,0|2,0,0]=4 127 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 ACI-00930 [0,1,0,1,0,0|1,0,1]=4 128 B11R2.10 S=C1CC2=CC=CC=C2N1 ACI-00937 [0,1,0,1,0,0|0,0,1]=3 129 B11R2.20 C1=CC=C2OCCNC2=C1 ACI-00558 [0,1,0,1,0,0|0,0,0]=2 130 B11R2.106 BrC1=C2OCCC2=CC=C1 ACI-NI-00707 [0,1,0,1,0,0|1,0,0]=3 131 B11R2.106 BrC1=CC=CC2=C1N=CN2 ACI-01524 [0,1,0,1,0,0|1,0,1]=4 132 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [0,1,0,1,0,0|0,0,0]=2 133 B11R2.1 NC1=NNC2=C1C=CC=C2 ACI-NI-00387 [0,1,0,1,0,0|1,0,1]=4 134 B11R2.239 C1=CC(C2CNC2)=CC=N1 ACI-02449 [0,1,0,1,0,0|1,0,0]=3 135 B11R2.239 C1=CN=C(C2CNC2)C=C1 ACI-02447 [0,1,0,1,0,0|1,0,0]=3 136 B11R2.239 C1=CN=CC(C2CNC2)=C1 ACI-02435 [0,1,0,1,0,0|1,0,0]=3 137 B7R1.1 NCC1=CSC=C1 ACI-00305 [1,0,0,0,1,0|1,0,0]=3