0 B10R1.10 CNCC1=NC(Br)=CC=C1 FD-09B-004 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.10 O=C=NC1=CN=CC(Br)=C1 SB-10B-001 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.2 COC1C=CC=C(Br)N1 ACI-06424 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.2 ClCC1=CC(Br)=CN=C1 SB-09E-005 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.2 ClCC1=CC(Cl)=NC=C1 ACI-00425 [1,0,0,0,0,0|2,1,0]=4 6 B9R1.2 N#CC1=NC=CC(Br)=C1 ACI-03815 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.2 O=CC1=NC(Br)=CC=C1 TB-05D-001 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.2 OCC1=CC(Br)=CN=C1 ACI-01412 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.2 OCC1=CC(Cl)=NC=C1 ACI-00423 [1,0,0,0,0,0|2,1,0]=4 10 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.23 CC(C=O)C1=CC=CC(Br)=C1 ACI-05596 [0,1,0,0,0,0|1,0,1]=3 13 B11R1.23 NCC(=O)C1=CC(Cl)=CC=C1 SB-05H-089 [0,1,0,0,0,0|0,1,1]=3 14 B11R1.23 NNC(=O)C1=CC(Br)=CC=C1 ACI-01721 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 ACI-01728 [0,1,0,0,0,0|1,1,1]=4 16 B11R1.23 N\C(=N/O)C1=CC=CC(Br)=C1 ACI-NI-00223 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 ACI-01709 [0,1,0,0,0,0|1,1,1]=4 18 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 ACI-01713 [0,1,0,0,0,0|1,1,1]=4 19 B11R1.24 CC1=CC(\C=C\CO)=CC=C1 ACI-05924 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.24 CC1=CC=CC(CCCO)=N1 ACI-01649 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.24 CC1=CC=CC(OCC#N)=C1 ACI-05107 [0,1,0,0,0,0|1,0,2]=4 22 B11R1.24 N#CCOC1=CC(Br)=CC=C1 ACI-05153 [0,1,0,0,0,0|0,0,2]=3 23 B11R1.24 N#CCOC1=CC(F)=CC=C1 ACI-05146 [0,1,0,0,0,0|0,1,2]=4 24 B11R1.24 N#CCOC1=CC=CC(Cl)=C1 ACI-05100 [0,1,0,0,0,0|0,1,2]=4 25 B11R1.24 OC\C=C\C1=CC=CC(Cl)=C1 ACI-05921 [0,1,0,0,0,0|1,1,1]=4 26 B11R1.24 OC\C=C\C1=CC=CC(F)=C1 ACI-05927 [0,1,0,0,0,0|1,1,1]=4 27 B11R1.34 N#CCC1=CC(Cl)=CC(Cl)=C1 WS-05I-006 [0,1,0,0,0,0|0,1,2]=4 28 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 ACI-01701 [0,1,0,0,0,0|0,1,1]=3 29 B11R1.157 NC(=O)CC1=CC(Br)=CC=C1 ACI-05461 [0,1,0,0,0,0|0,0,1]=2 30 B11R1.157 O=C(Cl)CC1=CC=CC(Br)=C1 ACI-05162 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.157 O=C(Cl)CC1=CC=CC(Cl)=C1 ACI-05795 [0,1,0,0,0,0|1,1,1]=4 32 B11R1.157 O=C(Cl)CC1=CC=CC(F)=C1 ACI-05799 [0,1,0,0,0,0|1,1,1]=4 33 B11R2.36 BrC1=CC2=NSN=C2C=C1 WS-04F-004 [0,0,0,1,0,0|2,0,1]=4 34 B11R2.36 NC1=CC2=C(C=C1)NN=N2 RJC-03E-005 [0,0,0,1,0,0|3,0,0]=4 35 B11R2.106 BrC1=C2OCCC2=CC=C1 ACI-NI-00707 [0,0,0,1,0,0|1,0,0]=2 36 B11R2.106 BrC1=C2SC=CC2=CC=C1 WS-05J-007 [0,0,0,1,0,0|1,0,2]=4 37 B11R2.106 BrC1=CC=CC2=C1N=CN2 ACI-01524 [0,0,0,1,0,0|1,0,2]=4 38 B11R2.106 BrC1=CC=CC2=C1OC=C2 ACI-02292 [0,0,0,1,0,0|1,0,2]=4 39 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.4 BrC1=CC=CC(Br)=N1 ACI-00415 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.4 CC1=CC(F)=NC=C1 ACI-00433 [2,0,0,0,0,0|1,1,0]=4 43 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [2,0,0,0,0,0|1,1,0]=4 44 B8R1.4 NC1=CC(Br)=CN=C1 ACI-00451 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.4 NC1=NC(Cl)=CC=C1 ACI-00840 [2,0,0,0,0,0|1,1,0]=4 46 B10R1.2 CC1=C(F)C=CC=C1NN ACI-04206 [1,1,0,0,0,0|1,1,0]=4 47 B10R1.2 COC1=CC=CC(N)=C1N WS-05L-004 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.2 FC1=C(I)C=CC=C1CBr ACI-05616 [1,1,0,0,0,0|1,1,0]=4 49 B10R1.2 FC1=CC=CC(CBr)=C1Cl ACI-04692 [1,1,0,0,0,0|1,1,0]=4 50 B10R1.2 NNC1=C(F)C(F)=CC=C1 ACI-04091 [1,1,0,0,0,0|1,1,0]=4 51 B10R1.2 OCC1=C(Cl)C(F)=CC=C1 ACI-04691 [1,1,0,0,0,0|1,1,0]=4 52 B10R1.2 OCC1=C(F)C(I)=CC=C1 ACI-05609 [1,1,0,0,0,0|1,1,0]=4 53 B10R1.8 ClC1=CC(CBr)=CC(I)=C1 ACI-05614 [1,1,0,0,0,0|1,1,0]=4 54 B10R1.8 ClCC1=CC(Cl)=CC(Cl)=C1 ACI-01695 [1,1,0,0,0,0|1,1,0]=4 55 B10R1.8 FC1=CC(Br)=CC(CBr)=C1 ACI-05615 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.8 O=CC1=CC(Br)=CC(O)=C1 ACI-03939 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.8 OCC1=CC(Br)=CC(F)=C1 ACI-05608 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 ACI-01693 [1,1,0,0,0,0|1,1,0]=4 59 B10R1.8 OCC1=CC(Cl)=CC(I)=C1 ACI-05607 [1,1,0,0,0,0|1,1,0]=4 60 B10R1.30 CC1=C(CO)C=C(I)C=C1 ACI-05606 [1,1,0,0,0,0|1,1,0]=4 61 B10R1.30 CC1=C(NN)C=C(Cl)C=C1 ACI-04081 [1,1,0,0,0,0|1,1,0]=4 62 B10R1.30 CC1=CC(NN)=C(Br)C=C1 ACI-04079 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.30 CC1=CC=C(I)C=C1CBr ACI-05613 [1,1,0,0,0,0|1,1,0]=4 64 B10R1.30 COC1=CC(N)=CC=C1F ACI-05283 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.30 ClC1=CC=C(I)C=C1CBr ACI-05612 [1,1,0,0,0,0|1,1,0]=4 66 B10R1.30 NNC1=C(Br)C=CC(Cl)=C1 ACI-04196 [1,1,0,0,0,0|1,1,0]=4 67 B10R1.30 NNC1=C(Br)C=CC(F)=C1 ACI-04076 [1,1,0,0,0,0|1,1,0]=4 68 B10R1.30 NNC1=C(Cl)C=CC(Br)=C1 ACI-04195 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.30 NNC1=CC(Cl)=CC=C1F ACI-03974 [1,1,0,0,0,0|1,1,0]=4 70 B10R1.30 OCC1=C(Cl)C=CC(I)=C1 ACI-05605 [1,1,0,0,0,0|1,1,0]=4 71 B10R1.30 OCC1=C(F)C=CC(I)=C1 ACI-05604 [1,1,0,0,0,0|1,1,0]=4 72 B10R1.30 OCC1=CC(Br)=CN=C1Cl ACI-00198 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 WS-05F-004 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 ACI-04001 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.113 N=C(N)C1=CC(Br)=CN=C1 RH-06K-004 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 ACI-NI-00224 [1,1,0,0,0,0|0,0,1]=3 77 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 ACI-NI-00236 [1,1,0,0,0,0|0,1,1]=4 78 B10R1.113 N=C(N)C1=CC=CC(F)=C1 ACI-NI-00233 [1,1,0,0,0,0|0,1,1]=4 79 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 ACI-00462 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.113 NC(=O)C1=CC(F)=CC=C1 ACI-03952 [1,1,0,0,0,0|0,1,1]=4 81 B10R1.113 NC(=S)C1=CC=CC(Br)=C1 ACI-NI-00225 [1,1,0,0,0,0|0,0,1]=3 82 B10R1.113 NC(=S)C1=CC=CC(Cl)=C1 ACI-NI-00237 [1,1,0,0,0,0|0,1,1]=4 83 B10R1.113 NC(=S)C1=CC=CC(F)=C1 ACI-NI-00234 [1,1,0,0,0,0|0,1,1]=4 84 B10R1.172 O=CC1=CC=CC(CBr)=C1 ACI-03882 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.176 CC1=C(I)C=C(CO)C=C1 ACI-05610 [1,1,0,0,0,0|1,1,0]=4 86 B10R1.176 CC1=CC(NN)=CC=C1Cl FD-10E-001 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.176 CC1=CC=C(CBr)C=C1I ACI-05617 [1,1,0,0,0,0|1,1,0]=4 88 B10R1.176 ClC1=CC=C(CBr)C=C1I ACI-05618 [1,1,0,0,0,0|1,1,0]=4 89 B10R1.176 OCC1=CC(I)=C(Cl)C=C1 ACI-05611 [1,1,0,0,0,0|1,1,0]=4 90 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.17 N#CCOC1=CC=CC=C1 ACI-05140 [1,1,0,0,0,0|0,0,2]=4 93 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.18 N=C(N)NC1=CC=CC=C1 ACI-04704 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [1,1,0,0,0,0|0,0,1]=3 96 B10R1.18 NC(N)=NC1=CC=CC=C1 ACI-00069 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.25 CC1=C(Br)C=CC=C1SCCO ACI-02418 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.17 CCOC(=N)C1=CC(Br)=CC=C1 SB-10F-002 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.17 N#CCC(=O)C1=CC(Br)=CC=C1 ACI-01090 [0,2,0,0,0,0|0,0,2]=4 100 B12R1.225 CC(Br)C(=O)C1=CC(Br)=CC=C1 ACI-04027 [0,2,0,0,0,0|1,0,1]=4 101 B12R1.354 NNC(=O)C1=CC(Br)=CC=C1Cl ACI-01731 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.367 NNC(=O)C1=CC(Br)=C(Cl)C=C1 ACI-01746 [0,2,0,0,0,0|1,0,1]=4 103 B12R1.28 CC1=CC(CSCCN)=CC=C1 ACI-05264 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.28 CC1=CC(CSCCN)=CC=C1 ACI-05278 [0,2,0,0,0,0|1,0,0]=3 105 B12R1.28 NCCSCC1=CC(Br)=CC=C1 ACI-05273 [0,2,0,0,0,0|0,0,0]=2 106 B12R1.28 NCCSCC1=CC(Cl)=CC=C1 ACI-05272 [0,2,0,0,0,0|0,1,0]=3 107 B12R1.28 NCCSCC1=CC(F)=CC=C1 ACI-05271 [0,2,0,0,0,0|0,1,0]=3 108 B12R1.28 NCCSCC1=CC=CC(Br)=C1 ACI-05259 [0,2,0,0,0,0|0,0,0]=2 109 B12R1.28 NCCSCC1=CC=CC(Cl)=C1 ACI-05258 [0,2,0,0,0,0|0,1,0]=3 110 B12R1.28 NCCSCC1=CC=CC(F)=C1 ACI-05257 [0,2,0,0,0,0|0,1,0]=3 111 B12R1.50 N\C(CC1=CC=CC(F)=C1)=N/O ACI-05006 [0,2,0,0,0,0|0,1,1]=4 112 B12R1.100 CC1=CC(SCCO)=CC(Br)=C1 ACI-02422 [0,2,0,0,0,0|1,0,0]=3 113 B12R1.100 OCCSC1=CC(Br)=CC(Cl)=C1 ACI-02426 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.100 OCCSC1=CC(F)=CC(Cl)=C1 ACI-04612 [0,2,0,0,0,0|1,1,0]=4 115 B12R1.226 CC1=CC=CC(OCC(=N)N)=C1 ACI-05109 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.226 N=C(/N)COC1=CC=CC(Cl)=C1 ACI-05098 [0,2,0,0,0,0|0,1,1]=4 117 B12R1.226 N=C(N)COC1=CC(Br)=CC=C1 ACI-05155 [0,2,0,0,0,0|0,0,1]=3 118 B12R1.226 N=C(N)COC1=CC(F)=CC=C1 ACI-05144 [0,2,0,0,0,0|0,1,1]=4 119 B12R1.385 CC1=CC(SCCO)=CC=C1Br ACI-02414 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.385 CC1=CC=C(SCCO)C=C1Br ACI-02351 [0,2,0,0,0,0|1,0,0]=3 121 B12R1.438 COC1=CC(CC(=N)N)=CC=C1 ACI-01699 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.438 COC1=CC=CC(CC(N)=S)=C1 ACI-00137 [0,2,0,0,0,0|1,0,1]=4 123 B12R2.1081 NC1=C2OCCOC2=CC=C1 ACI-NI-00705 [0,1,0,1,0,0|2,0,0]=4 124 B12R2.1081 NC1=C2OCCOC2=CC=C1 SB-12L-001 [0,1,0,1,0,0|2,0,0]=4 125 B12R2.24 BrC1=NC2=C(C=C1)OCCN2 ACI-03796 [0,1,0,1,0,0|2,0,0]=4 126 B12R2.24 OC1=CC=C2OCCNC2=C1 JM-08B-001 [0,1,0,1,0,0|2,0,0]=4 127 B12R2.203 CN1C=CC2=CC=CC(Br)=C21 RH-08K-005 [0,1,0,1,0,0|0,0,2]=4 128 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 JM-07I-001 [0,1,0,1,0,0|0,0,2]=4 129 B12R2.612 CN1CCC2=C1C=CC(Br)=C2 JM-09H-001 [0,1,0,1,0,0|0,0,0]=2 130 B12R2.612 NC1=NNC2=C1C=CC(Br)=C2 ACI-00934 [0,1,0,1,0,0|1,0,1]=4 131 B12R2.246 BrC1=CC(Br)=C2OCCC2=C1 RH-07B-005 [0,1,0,1,0,0|1,0,0]=3 132 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)S1 ACI-NI-00297 [0,1,0,1,0,0|1,0,1]=4 133 B12R2.44 O=CC1=CC=C2OCCC2=C1 ACI-01523 [0,1,0,1,0,0|2,0,0]=4 134 B12R2.291 NC1=CC=C(C2CC2)C=C1F ACI-06430 [0,1,0,1,0,0|1,1,0]=4 135 B8R1.1 NCC1=CN=C(Br)S1 ACI-04677 [1,0,0,0,1,0|2,0,0]=4 136 B8R1.11 CC1=C(CN)C=CO1 JM-10L-001 [1,0,0,0,1,0|2,0,0]=4 137 B8R1.11 CC1=C(CN)SC=C1 ACI-04730 [1,0,0,0,1,0|2,0,0]=4 138 B8R1.11 OCC1=C(Br)SC=C1 RH-08D-002 [1,0,0,0,1,0|2,0,0]=4 139 B8R1.8 NCCC1=CC=CS1 SB-11D-001 [1,0,0,0,1,0|1,0,0]=3