0 B10R1.18 CC(=O)CC1=CN=CC=C1 19862 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(=O)CC1=NC=CC=C1 17928 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=O)NC1=CC=CC=C1 06813 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(=O)NC1=NC=CC=C1 27479 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 CC(N)CC1=CC=CN=C1 17923 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.18 CC(N)CC1=CC=NC=C1 17924 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.18 CC(N)CC1=CN=CC=N1 17922 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.18 CC(N)CC1=NC=CC=C1 17610 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.18 NC(=S)NC1=NC=CC=C1 24854 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.18 O=C(O)CC1=CC=CN=C1 27783 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.18 O=C(O)CC1=CC=NC=C1 28780 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.18 S=C(Cl)OC1=CC=CC=C1 26924 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.8 CCCC1=CC=CC=C1 27219 [1,0,0,0,0,0|0,0,0]=1 13 B9R1.8 CCCC1=CC=CC=C1 29530 [1,0,0,0,0,0|0,0,0]=1 14 B9R1.8 CCOC1=CC=CC=C1 30856 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 CCOC1=NC=CC=C1 27481 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 CNCC1=CC=CC=C1 23236 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.8 CNCC1=CC=CN=C1 23300 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 CNCC1=CC=NC=C1 23632 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 CNCC1=NC=CC=C1 23554 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 CNCC1=NC=CN=C1 17803 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 COCC1=CC=CN=C1 29457 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 COCC1=CC=NC=C1 29392 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 COCC1=NC=CC=C1 27516 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 NCCC1=CC=CC=C1 21747 [1,0,0,0,0,0|0,0,0]=1 25 B9R1.8 NCCC1=NC=CN=C1 17453 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 NCCC1=NC=CN=C1 23818 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 NOCC1=CC=CC=C1 02279 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.8 OCCC1=CC=CC=C1 01623 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.8 ONCC1=CC=CC=C1 31261 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 S=C=NC1=CC=CC=C1 24479 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 30440 [0,1,0,0,0,0|1,0,1]=3 32 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 21980 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 20841 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 24846 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.20 CN(C)CC1=CC=C(N)C=C1 18995 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 24847 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 24848 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 02881 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 26910 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 21248 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 27878 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 21242 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 28402 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.36 CC(=O)C(Br)C1=CC=CC=C1 17905 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 32066 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 24586 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 24585 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 11689 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 16622 [0,1,0,0,0,0|1,0,1]=3 50 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 11670 [0,1,0,0,0,0|1,0,1]=3 51 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 03537 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 01317 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 27521 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 27766 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 12130 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 24590 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.40 CC(CN)OC1=CC=CC=C1 23800 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.40 CC(CN)OC1=CC=CN=C1 23692 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.40 COC(=O)CC1=CC=CC=C1 27176 [0,1,0,0,0,0|1,0,1]=3 60 B11R1.40 NCC(O)CC1=CC=CC=C1 23757 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 03209 [0,1,0,0,0,0|0,0,0]=1 62 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 03208 [0,1,0,0,0,0|0,0,0]=1 63 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 23255 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20839 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20840 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 24849 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.86 CN(C)CC1=C(N)C=CC=C1 20019 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.86 CN(C)CC1=NC=CC=C1O 27041 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.86 N=C(N)NC1=C(Cl)C=CC=C1 20803 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 20806 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.86 NC(=S)NC1=C(F)C=CC=C1 24851 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 21246 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 21887 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 30864 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.157 CC(C)NC1=CC(F)=CC=C1 17554 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 24850 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.157 CN(C)CC1=CC(N)=CC=C1 20128 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.157 NC(=O)CC1=CC(O)=CC=C1 28948 [0,1,0,0,0,0|1,0,1]=3 79 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 28953 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 27657 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 16519 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 30365 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 30411 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 30415 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 30417 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 31554 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 31555 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 31917 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 23234 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 00632 [0,1,0,0,0,0|3,0,0]=4 91 B11R2.4 NC1CC1C2=CC=CC=C2 20042 [0,0,0,1,0,0|0,0,0]=1 92 B11R2.10 CC1=CC2=C(C=CC=C2)N1 12992 [0,0,0,1,0,0|0,0,2]=3 93 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 31112 [0,0,0,1,0,0|2,0,1]=4 94 B11R2.10 NC1=NC2=C(C=CC=C2)N1 26960 [0,0,0,1,0,0|2,0,1]=4 95 B11R2.10 NC1CC2=C(C=CC=C2)C1 17047 [0,0,0,1,0,0|0,0,0]=1 96 B11R2.10 NC1CC2=C(C=CC=C2)C1 29942 [0,0,0,1,0,0|0,0,0]=1 97 B11R2.10 O=C1CC2=C(C=CC=C2)C1 14364 [0,0,0,1,0,0|1,0,1]=3 98 B11R2.10 O=C1CC2=C(C=CC=C2)N1 32065 [0,0,0,1,0,0|1,0,1]=3 99 B11R2.10 O=C1NC2=C(C=CC=C2)N1 32064 [0,0,0,1,0,0|2,0,1]=4 100 B11R2.10 OC1CC2=C(C=CC=C2)C1 07203 [0,0,0,1,0,0|1,0,0]=2 101 B11R2.10 S=C1NC2=C(C=CC=C2)N1 28342 [0,0,0,1,0,0|2,0,1]=4 102 B9R1.6 CC(=O)C1=CC=CC=C1 27189 [0,0,0,0,1,0|1,0,1]=3 103 B9R1.6 CC(=O)C1=CC=CC=C1 29528 [0,0,0,0,1,0|1,0,1]=3 104 B9R1.6 CC(=O)C1=CC=NC=C1 27062 [0,0,0,0,1,0|2,0,1]=4 105 B9R1.6 CC(N)C1=CC=NC=C1 17007 [0,0,0,0,1,0|1,0,0]=2 106 B9R1.6 CC(N)C1=CN=CC=C1 17106 [0,0,0,0,1,0|1,0,0]=2 107 B9R1.6 CC(N)C1=NC=CC=C1 17105 [0,0,0,0,1,0|1,0,0]=2 108 B9R1.6 CN(C)C1=CC=NC=C1 00120 [0,0,0,0,1,0|3,0,0]=4 109 B9R1.6 CN(C)C1=CC=NC=C1 30845 [0,0,0,0,1,0|3,0,0]=4 110 B9R1.6 CN(C)C1=CC=NC=C1 30846 [0,0,0,0,1,0|3,0,0]=4 111 B9R1.6 C[C@@H](N)C1=CC=CC=C1 24594 [0,0,0,0,1,0|0,0,0]=1 112 B9R1.6 C[C@H](N)C1=CC=CC=C1 24595 [0,0,0,0,1,0|0,0,0]=1 113 B9R1.6 N=C(N)C1=CC=CC=C1 00376 [0,0,0,0,1,0|1,0,1]=3 114 B9R1.6 N=C(N)C1=CC=CC=C1 02005 [0,0,0,0,1,0|1,0,1]=3 115 B9R1.6 N=C(N)C1=CC=CN=C1 31254 [0,0,0,0,1,0|2,0,1]=4 116 B9R1.6 NC(=O)C1=CC=CN=C1 01504 [0,0,0,0,1,0|2,0,1]=4 117 B9R1.6 NC(=O)C1=CC=NC=C1 27061 [0,0,0,0,1,0|2,0,1]=4 118 B9R1.6 O=C(O)C1=CC=CC=C1 00477 [0,0,0,0,1,0|2,0,1]=4 119 B9R1.6 O=C(O)C1=CC=CC=C1 27349 [0,0,0,0,1,0|2,0,1]=4 120 B9R1.6 O=C(O)C1=CC=CC=C1 32003 [0,0,0,0,1,0|2,0,1]=4 121 B9R1.6 O=C([O-])C1=CC=CC=C1 01934 [0,0,0,0,1,0|2,0,1]=4 122 B9R1.6 O=C([O-])C1=CC=CC=C1 26491 [0,0,0,0,1,0|2,0,1]=4 123 B9R1.6 OB(O)C1=CC=CC=C1 26799 [0,0,0,0,1,0|3,0,0]=4 124 B9R1.6 OB(O)C1=CC=CC=C1 29551 [0,0,0,0,1,0|3,0,0]=4 125 B9R1.13 CC(N)CN1C=CN=C1 23766 [0,0,0,0,1,0|2,0,0]=3 126 B11R1.91 CC(=O)NCC1=CC=CC=C1 24146 [0,0,0,0,0,1|1,0,1]=3 127 B11R1.91 CC(=O)OCC1=CC=CC=C1 27188 [0,0,0,0,0,1|1,0,1]=3 128 B11R1.91 NC(=O)OCC1=CC=CC=C1 27153 [0,0,0,0,0,1|1,0,1]=3 129 B11R1.91 O=C(O)CCC1=CC=CC=C1 25774 [0,0,0,0,0,1|2,0,1]=4 130 B11R1.91 O=C(O)CNC1=CC=CC=C1 03076 [0,0,0,0,0,1|2,0,1]=4 131 B11R1.91 O=C([O-])COC1=CC=CC=C1 01413 [0,0,0,0,0,1|2,0,1]=4 132 B8R1.2 BrCC1=CC=CC=C1 00332 [2,0,0,0,0,0|1,0,0]=3 133 B8R1.2 C#CC1=CC=CC=C1 24540 [2,0,0,0,0,0|0,0,2]=4 134 B8R1.2 CC[N+]1=CC=CC=C1 31419 [2,0,0,0,0,0|1,0,0]=3 135 B8R1.2 CNC1=CN=CC=C1 18208 [2,0,0,0,0,0|2,0,0]=4 136 B8R1.2 COC1=CC=CC=C1 02045 [2,0,0,0,0,0|1,0,0]=3 137 B8R1.2 COC1=CC=NC=C1 28387 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.2 COC1=NC=CC=C1 27017 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.2 ClCC1=CC=CN=C1 06928 [2,0,0,0,0,0|2,0,0]=4 140 B8R1.2 ClCC1=CC=NC=C1 06929 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.2 ClCC1=NC=CC=C1 06927 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.2 N#CC1=CC=CC=C1 27352 [2,0,0,0,0,0|0,0,2]=4 143 B8R1.2 NCC1=CC=CC=C1 29916 [2,0,0,0,0,0|0,0,0]=2 144 B8R1.2 NCC1=CC=CN=C1 27056 [2,0,0,0,0,0|1,0,0]=3 145 B8R1.2 NCC1=CC=NC=C1 27066 [2,0,0,0,0,0|1,0,0]=3 146 B8R1.2 NCC1=CC=NC=C1 28201 [2,0,0,0,0,0|1,0,0]=3 147 B8R1.2 NCC1=CN=CC=N1 23715 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.2 NCC1=NC=CC=N1 18223 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.2 NCC1=NC=CC=N1 23716 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.2 NNC1=CC=CC=C1 02348 [2,0,0,0,0,0|1,0,0]=3 151 B8R1.2 OCC1=CC=CC=C1 00371 [2,0,0,0,0,0|1,0,0]=3 152 B8R1.2 OCC1=CC=CN=C1 27054 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.2 OCC1=CC=NC=C1 12966 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.1 CCCC1=CC=C(Br)C=C1 27327 [1,1,0,0,0,0|0,0,0]=2 155 B10R1.1 CCOC1=CC=C(Br)C=C1 30421 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.1 CCOC1=CC=C(Br)C=N1 25744 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.1 CCOC1=CC=C(N)C=N1 28529 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.1 NCCC1=CC=C(Br)C=C1 18380 [1,1,0,0,0,0|0,0,0]=2 159 B10R1.1 NCCC1=CC=C(N)C=C1 17000 [1,1,0,0,0,0|0,0,0]=2 160 B10R1.1 NCCC1=CC=C(O)C=C1 00831 [1,1,0,0,0,0|0,0,0]=2 161 B10R1.1 NCCC1=CC=C(O)C=C1 21913 [1,1,0,0,0,0|0,0,0]=2 162 B10R1.1 O=CCC1=CC=C(Cl)C=C1 17835 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.1 O=CCC1=CC=C(F)C=C1 17837 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.1 OCCC1=CC=C(Cl)C=C1 26850 [1,1,0,0,0,0|1,0,0]=3 165 B10R1.4 CCOC1=C(Br)C=CC=N1 28270 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.4 CCOC1=C(Br)C=CN=C1 29223 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.4 CCOC1=CC=NC=C1N 28271 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.4 NCCC1=C(N)C=CC=C1 17930 [1,1,0,0,0,0|0,0,0]=2 169 B10R1.4 NOCC1=CC=CC=C1Cl 28477 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.4 NOCC1=CC=CC=C1F 29333 [1,1,0,0,0,0|1,0,0]=3 171 B10R1.10 CCCC1=CC=CC(N)=N1 18146 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.10 CCOC1=CC(F)=CC=C1 28380 [1,1,0,0,0,0|1,0,0]=3 173 B10R1.10 CCOC1=CC=CC(N)=C1 27146 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.10 CCOC1=CC=NC(N)=C1 18996 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.10 CCOC1=NC(Br)=CC=C1 28276 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.10 CCOC1=NC(N)=CC=C1 17759 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.10 CCOC1=NC=CC(N)=C1 17650 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.10 N#CCC1=CC(Br)=CC=C1 26792 [1,1,0,0,0,0|0,0,2]=4 179 B10R1.10 N#CCC1=CC(I)=CC=C1 27588 [1,1,0,0,0,0|0,0,2]=4 180 B10R1.10 N#CCC1=CC(O)=CC=C1 28724 [1,1,0,0,0,0|0,0,2]=4 181 B10R1.15 BrCC(Br)C1=CC=CC=C1 26738 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.15 CCC(=O)C1=CC=CC=C1 27218 [1,1,0,0,0,0|0,0,1]=3 183 B10R1.15 CCC(=O)C1=CC=CN=C1 27485 [1,1,0,0,0,0|1,0,1]=4 184 B10R1.15 CNC(C)C1=CC=CC=C1 28338 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.15 COC(=O)C1=CC=CC=C1 27174 [1,1,0,0,0,0|1,0,1]=4 186 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [1,1,0,0,0,0|0,0,0]=2 187 B10R1.15 NCC(O)C1=CC=CN=C1 17144 [1,1,0,0,0,0|1,0,0]=3 188 B10R1.15 NCC(O)C1=CC=CN=C1 23828 [1,1,0,0,0,0|1,0,0]=3 189 B10R1.15 NCC(O)C1=NC=CC=C1 23837 [1,1,0,0,0,0|1,0,0]=3 190 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.15 O=C(CBr)C1=CC=CC=C1 01681 [1,1,0,0,0,0|1,0,1]=4 193 B10R1.15 O=C(CCl)C1=CC=CC=C1 12998 [1,1,0,0,0,0|1,0,1]=4 194 B10R1.15 OC[C@H](O)C1=CC=CC=C1 24591 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.17 CCCCC1=CC=CC=C1 27221 [1,1,0,0,0,0|0,0,0]=2 196 B10R1.17 CCCC[N+]1=CC=CC=C1 31412 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.17 CCCC[N+]1=CC=CC=C1 31413 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.17 CNCCC1=CC=CC=C1 23237 [1,1,0,0,0,0|0,0,0]=2 199 B10R1.17 CNCCC1=CC=CN=C1 23587 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.17 CNCCC1=CC=NC=C1 17201 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.17 CNCCC1=NC=CC=C1 23232 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.17 ClCC#CC1=CC=CC=C1 28941 [1,1,0,0,0,0|0,0,2]=4 203 B10R1.17 ClCOCC1=CC=CC=C1 00728 [1,1,0,0,0,0|1,0,0]=3 204 B10R1.17 OCC#CC1=CC=CC=C1 27592 [1,1,0,0,0,0|0,0,2]=4 205 B10R1.13 CC(=O)C1=CC=C(C)C=C1 27193 [0,1,0,0,1,0|1,0,1]=4 206 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 26758 [0,1,0,0,1,0|1,0,1]=4 207 B10R1.13 CC(=O)C1=CC=C(F)C=C1 26748 [0,1,0,0,1,0|1,0,1]=4 208 B10R1.13 CC(=O)C1=CC=C(I)C=C1 27645 [0,1,0,0,1,0|1,0,1]=4 209 B10R1.13 CC(=O)C1=CC=C(O)C=C1 30857 [0,1,0,0,1,0|1,0,1]=4 210 B10R1.13 CC(C)C1=CC=C(I)C=C1 27365 [0,1,0,0,1,0|1,0,0]=3 211 B10R1.13 CC(N)C1=CC=C(Br)C=C1 24660 [0,1,0,0,1,0|0,0,0]=2 212 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 24995 [0,1,0,0,1,0|0,0,0]=2 213 B10R1.13 CC(N)C1=CC=C(O)C=C1 24161 [0,1,0,0,1,0|0,0,0]=2 214 B10R1.13 CC(O)C1=CC=C(Br)C=C1 26914 [0,1,0,0,1,0|1,0,0]=3 215 B10R1.13 CC1=CC=C(C(=N)N)C=C1 17210 [0,1,0,0,1,0|1,0,1]=4 216 B10R1.13 CC1=CC=C(C(C)C)C=C1 27775 [0,1,0,0,1,0|1,0,0]=3 217 B10R1.13 CC1=CC=C(C(C)N)C=C1 24701 [0,1,0,0,1,0|0,0,0]=2 218 B10R1.13 CC1=CC=C(C(C)N)N=C1 18435 [0,1,0,0,1,0|1,0,0]=3 219 B10R1.13 CC1=CC=C(C(C)O)C=C1 27421 [0,1,0,0,1,0|1,0,0]=3 220 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 24263 [0,1,0,0,1,0|0,0,0]=2 221 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 24262 [0,1,0,0,1,0|0,0,0]=2 222 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 20244 [0,1,0,0,1,0|1,0,1]=4 223 B10R1.13 N=C(N)C1=CC=C(F)C=C1 18998 [0,1,0,0,1,0|1,0,1]=4 224 B10R1.13 N=C(N)C1=CC=C(N)C=C1 03291 [0,1,0,0,1,0|1,0,1]=4 225 B10R1.13 N=C(N)C1=CC=C(O)C=C1 31279 [0,1,0,0,1,0|1,0,1]=4 226 B10R1.13 NC(=O)C1=CC=C(N)C=C1 31572 [0,1,0,0,1,0|1,0,1]=4 227 B10R1.13 NC(=O)C1=CC=C(O)C=C1 27157 [0,1,0,0,1,0|1,0,1]=4 228 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 17385 [0,1,0,0,1,0|1,0,1]=4 229 B10R1.28 CC(C)(O)C1=CC=CC=C1 14408 [0,1,0,0,1,0|1,0,0]=3 230 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 24129 [0,1,0,0,1,0|2,0,0]=4 231 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 30377 [0,1,0,0,1,0|2,0,0]=4 232 B10R1.61 CC(=O)C1=C(C)C=CC=C1 30419 [0,1,0,0,1,0|1,0,1]=4 233 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 26752 [0,1,0,0,1,0|1,0,1]=4 234 B10R1.61 CC(=O)C1=C(F)C=CC=C1 26745 [0,1,0,0,1,0|1,0,1]=4 235 B10R1.61 CC1=CC=CC=C1C(=N)N 20038 [0,1,0,0,1,0|1,0,1]=4 236 B10R1.61 N=C(N)C1=CC=CC=C1Br 19996 [0,1,0,0,1,0|1,0,1]=4 237 B10R1.61 N=C(N)C1=CC=CC=C1Cl 20015 [0,1,0,0,1,0|1,0,1]=4 238 B10R1.61 N=C(N)C1=CC=CC=C1F 17984 [0,1,0,0,1,0|1,0,1]=4 239 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 27155 [0,1,0,0,1,0|1,0,1]=4 240 B10R1.61 NC(=O)C1=C(N)C=CC=C1 24534 [0,1,0,0,1,0|1,0,1]=4 241 B10R1.61 NC(=S)C1=C(O)C=CC=C1 28538 [0,1,0,0,1,0|1,0,1]=4 242 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 26733 [0,1,0,0,1,0|1,0,1]=4 243 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 26755 [0,1,0,0,1,0|1,0,1]=4 244 B10R1.113 CC(=O)C1=CC=CC(F)=C1 26746 [0,1,0,0,1,0|1,0,1]=4 245 B10R1.113 CC(=O)C1=CC=CC(O)=C1 30369 [0,1,0,0,1,0|1,0,1]=4 246 B10R1.113 CC1=CC=CC(C(=N)N)=C1 17682 [0,1,0,0,1,0|1,0,1]=4 247 B10R1.113 CC1=CC=NC(C(C)N)=C1 18431 [0,1,0,0,1,0|1,0,0]=3 248 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 20111 [0,1,0,0,1,0|1,0,1]=4 249 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 18893 [0,1,0,0,1,0|1,0,1]=4 250 B10R1.113 N=C(N)C1=CC=CC(F)=C1 17461 [0,1,0,0,1,0|1,0,1]=4 251 B10R1.113 N=C(N)C1=CC=CC(F)=C1 18901 [0,1,0,0,1,0|1,0,1]=4 252 B10R1.113 N=C(N)C1=CC=CC(F)=C1 31282 [0,1,0,0,1,0|1,0,1]=4 253 B10R1.113 NC(=O)C1=CC(N)=CC=C1 31578 [0,1,0,0,1,0|1,0,1]=4 254 B10R1.113 NC(=O)C1=CC=CC(I)=C1 27982 [0,1,0,0,1,0|1,0,1]=4 255 B10R1.27 N[C@H](CO)CC1=CNC=N1 06285 [0,1,0,0,1,0|2,0,0]=4 256 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 20175 [0,1,0,0,0,1|2,0,0]=4 257 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 32480 [0,1,0,0,0,1|2,0,0]=4 258 B12R1.21 N=C(N)SCC1=CC=C(Cl)C=C1 23238 [0,1,0,0,0,1|1,0,1]=4 259 B12R1.21 N=C(N)SCC1=CC=C(F)C=C1 23288 [0,1,0,0,0,1|1,0,1]=4 260 B12R1.27 NCC(=O)OCC1=CC=CC=C1 03071 [0,1,0,0,0,1|1,0,1]=4 261 B12R1.27 NCC(=O)OCC1=CC=CC=C1 03352 [0,1,0,0,0,1|1,0,1]=4 262 B12R1.27 NNC(=O)OCC1=CC=CC=C1 05288 [0,1,0,0,0,1|1,0,1]=4 263 B12R1.27 O=C(NO)OCC1=CC=CC=C1 31324 [0,1,0,0,0,1|1,0,1]=4 264 B12R1.43 CC(OC1=CC=CC=C1)C(N)=O 23313 [0,1,0,0,0,1|1,0,1]=4 265 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 24165 [0,1,0,0,0,1|2,0,0]=4 266 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 08461 [0,1,0,0,0,1|1,0,1]=4 267 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 03113 [0,1,0,0,0,1|1,0,1]=4 268 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 06180 [0,1,0,0,0,1|1,0,1]=4 269 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 03114 [0,1,0,0,0,1|1,0,1]=4 270 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 05994 [0,1,0,0,0,1|1,0,1]=4 271 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 02274 [0,1,0,0,0,1|1,0,1]=4 272 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 23435 [0,1,0,0,0,1|2,0,0]=4 273 B12R1.891 CC(C)(C)NCC1=CC=CC=C1 27196 [0,1,0,0,0,1|1,0,0]=3 274 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 30371 [0,2,0,0,0,0|1,0,1]=4 275 B12R1.19 CC(=O)CC1=CC(Cl)=C(Cl)C=C1 28197 [0,2,0,0,0,0|1,0,1]=4 276 B12R1.20 CC1=CC=C(C(=O)C(C)Br)C=C1 30861 [0,2,0,0,0,0|1,0,1]=4 277 B12R1.49 CC(CN)OC1=CC=C(F)C=C1 23526 [0,2,0,0,0,0|1,0,0]=3 278 B12R1.49 CC1=CC=C(OC(C)CN)C=C1 23693 [0,2,0,0,0,0|1,0,0]=3 279 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 16170 [0,2,0,0,0,0|0,0,0]=2 280 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 16629 [0,2,0,0,0,0|0,0,0]=2 281 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 16227 [0,2,0,0,0,0|0,0,0]=2 282 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 03127 [0,2,0,0,0,0|1,0,1]=4 283 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 16613 [0,2,0,0,0,0|1,0,1]=4 284 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 05997 [0,2,0,0,0,0|1,0,1]=4 285 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 16541 [0,2,0,0,0,0|1,0,1]=4 286 B12R1.225 CC(Br)C(=O)C1=CC=CC(Cl)=C1 17443 [0,2,0,0,0,0|1,0,1]=4 287 B12R1.225 CC(Cl)C(=O)C1=CC=CC(Cl)=C1 20003 [0,2,0,0,0,0|1,0,1]=4 288 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 24119 [0,2,0,0,0,0|1,0,1]=4 289 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 23394 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F 18656 [0,2,0,0,0,0|2,0,0]=4 291 B12R1.32 CCOC(=O)CC1=CC=CC=C1 27212 [0,2,0,0,0,0|1,0,1]=4 292 B12R1.371 CC(CN)OC1=C(Cl)C=CC=C1 23694 [0,2,0,0,0,0|1,0,0]=3 293 B10R2.7 C1=CC2=C(C=C1)CC=C2 21927 [1,0,0,1,0,0|0,0,2]=4 294 B10R2.7 C1=CC2=C(C=C1)NC=C2 21854 [1,0,0,1,0,0|0,0,2]=4 295 B10R2.7 C1=CC2=C(C=C1)NC=N2 26958 [1,0,0,1,0,0|1,0,1]=4 296 B10R2.7 C1=CC2=C(C=C1)NN=N2 24501 [1,0,0,1,0,0|2,0,0]=4 297 B10R2.7 C1=CC2=C(CCC2)N=C1 26968 [1,0,0,1,0,0|1,0,0]=3 298 B10R2.7 C1=CC2=C(N=C1)NCC2 28977 [1,0,0,1,0,0|1,0,0]=3 299 B12R2.24 NC1CCC2=C(C=CC=C2)C1 18439 [0,0,0,1,0,1|0,0,0]=2 300 B12R2.24 NC1COC2=C(C=CC=C2)C1 20658 [0,0,0,1,0,1|0,0,0]=2 301 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 18446 [0,0,0,1,0,1|1,0,1]=4 302 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 14365 [0,0,0,1,0,1|1,0,1]=4 303 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 17342 [0,0,0,1,0,1|1,0,1]=4 304 B12R2.24 O=C1COC2=C(C=CC=C2)N1 24676 [0,0,0,1,0,1|1,0,1]=4 305 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 25858 [0,0,0,1,0,1|1,0,1]=4 306 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 19127 [0,1,0,1,0,0|1,0,1]=4 307 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)N1 21512 [0,1,0,1,0,0|0,0,2]=4 308 B12R2.606 CC1=CC2=C(C=CC(Cl)=C2)N1 21712 [0,1,0,1,0,0|0,0,2]=4 309 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 21286 [0,1,0,1,0,0|0,0,2]=4 310 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 20386 [0,1,0,1,0,0|0,0,0]=2 311 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 17218 [0,1,0,1,0,0|1,0,1]=4 312 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 22024 [0,1,0,1,0,0|1,0,1]=4 313 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 21498 [0,1,0,1,0,0|1,0,1]=4 314 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 21830 [0,1,0,1,0,0|1,0,1]=4 315 B12R2.606 O=C1CC2=C(C=CC(Cl)=C2)N1 22003 [0,1,0,1,0,0|1,0,1]=4 316 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 28613 [0,1,0,1,0,0|1,0,1]=4 317 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 21800 [0,1,0,1,0,0|1,0,1]=4 318 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 22059 [0,1,0,1,0,0|0,0,2]=4 319 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 21185 [0,1,0,1,0,0|0,0,2]=4 320 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 20954 [0,1,0,1,0,0|0,0,2]=4 321 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 17139 [0,1,0,1,0,0|0,0,2]=4 322 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 20647 [0,1,0,1,0,0|0,0,2]=4 323 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 18173 [0,1,0,1,0,0|1,0,1]=4 324 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 16551 [0,1,0,1,0,0|0,0,0]=2 325 B12R2.202 CC1=CC2=C(C=CC=C2O)N1 21519 [0,1,0,1,0,0|0,0,2]=4 326 B12R2.202 O=C1CC2=C(C=CC=C2Br)N1 26203 [0,1,0,1,0,0|1,0,1]=4 327 B12R2.202 O=C1CC2=C(C=CC=C2Cl)N1 17482 [0,1,0,1,0,0|1,0,1]=4 328 B12R2.202 O=C1CC2=C(N1)C(F)=CC=C2 21289 [0,1,0,1,0,0|1,0,1]=4 329 B8R1.8 CCCC1=NC=CN1 27740 [1,0,0,0,1,0|2,0,0]=4 330 B8R1.8 CCCN1C=CN=C1 27748 [1,0,0,0,1,0|2,0,0]=4 331 B8R1.8 CNCC1=CC=CS1 17366 [1,0,0,0,1,0|2,0,0]=4 332 B8R1.8 NCCC1=CNC=N1 00178 [1,0,0,0,1,0|2,0,0]=4 333 B8R1.8 NCCC1=CNC=N1 21888 [1,0,0,0,1,0|2,0,0]=4 334 B8R1.8 NCCC1=CNC=N1 32474 [1,0,0,0,1,0|2,0,0]=4 335 B8R1.8 NCCC1=CON=C1 18732 [1,0,0,0,1,0|2,0,0]=4 336 B8R1.8 NCCC1=CSC=C1 26286 [1,0,0,0,1,0|1,0,0]=3 337 B8R1.8 NCCC1=NC=CS1 18801 [1,0,0,0,1,0|2,0,0]=4 338 B8R1.8 NCCN1C=CN=C1 23546 [1,0,0,0,1,0|2,0,0]=4 339 B8R1.8 NCCN1C=CN=C1 23717 [1,0,0,0,1,0|2,0,0]=4 340 B8R1.7 CC(N)C1=CC=NO1 18519 [0,0,0,0,2,0|2,0,0]=4 341 B8R1.7 CC(N)C1=COC=C1 18499 [0,0,0,0,2,0|1,0,0]=3 342 B8R1.7 CC(N)C1=CSC=N1 18534 [0,0,0,0,2,0|2,0,0]=4