0 B10R1.18 CC(=O)CC1=CN=CC=C1 19862 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=O)CC1=NC=CC=C1 17928 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)NC1=CC=CC=C1 06813 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CC(=O)NC1=NC=CC=C1 27479 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 CC(N)CC1=CC=CN=C1 17923 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 CC(N)CC1=CC=NC=C1 17924 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.18 CC(N)CC1=NC=CC=C1 17610 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.18 NC(=S)NC1=NC=CC=C1 24854 [0,0,0,0,0,0|3,1,0]=4 8 B10R1.18 O=C(O)CC1=CC=CN=C1 27783 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.18 O=C(O)CC1=CC=NC=C1 28780 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.18 S=C(Cl)OC1=CC=CC=C1 26924 [0,0,0,0,0,0|2,1,0]=3 11 B9R1.8 CCCC1=CC=CC=C1 27219 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.8 CCCC1=CC=CC=C1 29530 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.8 CCOC1=CC=CC=C1 30856 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 CNCC1=CC=CC=C1 23236 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 CNCC1=CC=CN=C1 23300 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 CNCC1=CC=NC=C1 23632 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 CNCC1=NC=CC=C1 23554 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.8 COCC1=CC=CN=C1 29457 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.8 COCC1=CC=NC=C1 29392 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 COCC1=NC=CC=C1 27516 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 NCCC1=CC=CC=C1 21747 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.8 NOCC1=CC=CC=C1 02279 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 OCCC1=CC=CC=C1 01623 [1,0,0,0,0,0|0,0,1]=2 24 B9R1.8 ONCC1=CC=CC=C1 31261 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.8 O\N=C\C1=NC=CC=C1 00944 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 O\N=C\C1=NC=CC=C1 28129 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 S=C=NC1=CC=CC=C1 24479 [1,0,0,0,0,0|1,1,1]=4 28 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 30440 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.20 CC(=O)NC1=CC=C(Br)C=N1 25899 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.20 CC(=O)NC1=CC=C(F)C=N1 28895 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 21980 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 20841 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 24846 [0,1,0,0,0,0|2,1,0]=4 34 B11R1.20 CN(C)CC1=CC=C(N)C=C1 18995 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 24847 [0,1,0,0,0,0|2,1,0]=4 36 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 24848 [0,1,0,0,0,0|2,1,0]=4 37 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 02881 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 26910 [0,1,0,0,0,0|0,0,0]=1 39 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 21248 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 27878 [0,1,0,0,0,0|0,0,0]=1 41 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 21242 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 28402 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.36 CC(=O)C(Br)C1=CC=CC=C1 17905 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 24586 [0,1,0,0,0,0|0,0,0]=1 45 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 24585 [0,1,0,0,0,0|0,0,0]=1 46 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 11689 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 16622 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 11670 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 03537 [0,1,0,0,0,0|0,0,0]=1 50 B11R1.36 N[C@@H](C(=O)O)C1=CCC=CC1 11938 [0,1,0,0,0,0|0,0,2]=3 51 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 01317 [0,1,0,0,0,0|0,0,0]=1 52 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 27521 [0,1,0,0,0,0|0,0,0]=1 53 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 27766 [0,1,0,0,0,0|0,0,0]=1 54 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 12130 [0,1,0,0,0,0|0,0,0]=1 55 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 24590 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.40 COC(=O)CC1=CC=CC=C1 27176 [0,1,0,0,0,0|0,0,0]=1 57 B11R1.40 NCC(O)CC1=CC=CC=C1 23757 [0,1,0,0,0,0|1,0,1]=3 58 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 03209 [0,1,0,0,0,0|1,0,1]=3 59 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 03208 [0,1,0,0,0,0|1,0,1]=3 60 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 27093 [0,1,0,0,0,0|1,0,1]=3 61 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 23255 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20839 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20840 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 24849 [0,1,0,0,0,0|2,1,0]=4 65 B11R1.86 CN(C)CC1=C(N)C=CC=C1 20019 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.86 N=C(N)NC1=C(Cl)C=CC=C1 20803 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 20806 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.86 NC(=S)NC1=C(F)C=CC=C1 24851 [0,1,0,0,0,0|2,1,0]=4 69 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 21246 [0,1,0,0,0,0|0,0,0]=1 70 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 21887 [0,1,0,0,0,0|0,0,0]=1 71 B11R1.86 O=C(O)CN1C=CC=NC1=O 25013 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 30864 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.157 CC(=O)NC1=NC(C)=CC=C1 27900 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 24850 [0,1,0,0,0,0|2,1,0]=4 75 B11R1.157 CN(C)CC1=CC(N)=CC=C1 20128 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.157 NC(=O)CC1=CC(O)=CC=C1 28948 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 28953 [0,1,0,0,0,0|0,0,0]=1 78 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 27657 [0,1,0,0,0,0|0,0,0]=1 79 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 16519 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 30365 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 30411 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 30415 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 30417 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 31554 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 31555 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 31917 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.509 O=P(Cl)(Cl)OC1=CC=CC=C1 30439 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.509 O=P([O-])([O-])OC1=CC=CC=C1 01487 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 23234 [0,1,0,0,0,0|1,0,1]=3 90 B11R1.509 O=S(=O)(Cl)CC1=CC=CN=C1 23500 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.509 O=S(=O)(Cl)CC1=CC=NC=C1 23490 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.509 O=S(=O)(Cl)CC1=NC=CC=C1 23499 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 00632 [0,1,0,0,0,0|1,0,1]=3 94 B11R2.4 NC1CC1C2=CC=CC=C2 20042 [0,0,0,1,0,0|2,0,1]=4 95 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 28637 [0,0,0,1,0,0|2,1,0]=4 96 B11R2.10 CC1=CC2=C(C=CC=C2)N1 12992 [0,0,0,1,0,0|2,0,1]=4 97 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 31112 [0,0,0,1,0,0|3,0,0]=4 98 B11R2.10 NC1=NC2=C(C=CC=C2)N1 26960 [0,0,0,1,0,0|3,0,0]=4 99 B11R2.10 NC1CC2=C(C=CC=C2)C1 17047 [0,0,0,1,0,0|2,0,1]=4 100 B11R2.10 NC1CC2=C(C=CC=C2)C1 29942 [0,0,0,1,0,0|2,0,1]=4 101 B11R2.10 O=C1CC2=C(C=CC=C2)C1 14364 [0,0,0,1,0,0|1,0,0]=2 102 B11R2.10 O=C1CC2=C(C=CC=C2)N1 32065 [0,0,0,1,0,0|1,0,0]=2 103 B11R2.10 O=C1NC2=C(C=CC=C2)N1 32064 [0,0,0,1,0,0|2,0,0]=3 104 B11R2.10 OC1CC2=C(C=CC=C2)C1 07203 [0,0,0,1,0,0|1,0,1]=3 105 B11R2.10 S=C1NC2=C(C=CC=C2)N1 28342 [0,0,0,1,0,0|2,1,0]=4 106 B11R2.10 SC1=NC2=C(C=CC=C2)O1 24502 [0,0,0,1,0,0|1,1,0]=3 107 B9R1.6 CC(=O)C1=CC=CC=C1 27189 [0,0,0,0,1,0|1,0,0]=2 108 B9R1.6 CC(=O)C1=CC=CC=C1 29528 [0,0,0,0,1,0|1,0,0]=2 109 B9R1.6 CC(=O)C1=CC=NC=C1 27062 [0,0,0,0,1,0|2,0,0]=3 110 B9R1.6 C[C@@H](N)C1=CC=CC=C1 24594 [0,0,0,0,1,0|2,0,1]=4 111 B9R1.6 C[C@H](N)C1=CC=CC=C1 24595 [0,0,0,0,1,0|2,0,1]=4 112 B9R1.6 N=C(N)C1=CC=CC=C1 00376 [0,0,0,0,1,0|2,0,0]=3 113 B9R1.6 N=C(N)C1=CC=CC=C1 02005 [0,0,0,0,1,0|2,0,0]=3 114 B9R1.6 N=C(N)C1=CC=CN=C1 31254 [0,0,0,0,1,0|3,0,0]=4 115 B9R1.6 NC(=O)C1=CC=CN=C1 01504 [0,0,0,0,1,0|2,0,0]=3 116 B9R1.6 NC(=O)C1=CC=NC=C1 27061 [0,0,0,0,1,0|2,0,0]=3 117 B9R1.6 NC(=O)C1=NC=CN=C1 22211 [0,0,0,0,1,0|3,0,0]=4 118 B9R1.6 O=C(Cl)C1=CC=CN=C1 06993 [0,0,0,0,1,0|2,0,0]=3 119 B9R1.6 O=C(O)C1=CC=CC=C1 00477 [0,0,0,0,1,0|0,0,0]=1 120 B9R1.6 O=C(O)C1=CC=CC=C1 27349 [0,0,0,0,1,0|0,0,0]=1 121 B9R1.6 O=C(O)C1=CC=CC=C1 32003 [0,0,0,0,1,0|0,0,0]=1 122 B9R1.6 O=C(O)C1=CC=CN=C1 01616 [0,0,0,0,1,0|1,0,0]=2 123 B9R1.6 O=C(O)C1=CC=NC=C1 27060 [0,0,0,0,1,0|1,0,0]=2 124 B9R1.6 O=C(O)C1=NC=CC=C1 03556 [0,0,0,0,1,0|1,0,0]=2 125 B9R1.6 O=C(O)C1=NC=CC=N1 17811 [0,0,0,0,1,0|2,0,0]=3 126 B9R1.6 O=C(O)C1=NC=CN=C1 26983 [0,0,0,0,1,0|2,0,0]=3 127 B9R1.6 O=C(O)C1=NC=NC=C1 17543 [0,0,0,0,1,0|2,0,0]=3 128 B9R1.6 O=C(O)C1=NN=CC=C1 24005 [0,0,0,0,1,0|2,0,0]=3 129 B9R1.6 O=C([O-])C1=CC=CC=C1 01934 [0,0,0,0,1,0|0,0,1]=2 130 B9R1.6 O=C([O-])C1=CC=CC=C1 26491 [0,0,0,0,1,0|0,0,1]=2 131 B9R1.6 O=[N+]([O-])C1=CN=CC=C1 28277 [0,0,0,0,1,0|2,0,1]=4 132 B9R1.6 OB(O)C1=CC=CC=C1 26799 [0,0,0,0,1,0|1,0,1]=3 133 B9R1.6 OB(O)C1=CC=CC=C1 29551 [0,0,0,0,1,0|1,0,1]=3 134 B9R1.6 OB(O)C1=CC=CC=N1 31151 [0,0,0,0,1,0|2,0,1]=4 135 B9R1.6 OB(O)C1=CC=NC=C1 29071 [0,0,0,0,1,0|2,0,1]=4 136 B9R1.6 OB(O)C1=CN=CC=C1 28849 [0,0,0,0,1,0|2,0,1]=4 137 B9R1.13 O=C(O)CC1=CNC=N1 26054 [0,0,0,0,1,0|2,0,0]=3 138 B9R1.13 O=C(O)CN1C=CN=C1 28546 [0,0,0,0,1,0|2,0,0]=3 139 B11R1.91 CC(=O)NCC1=CC=CC=C1 24146 [0,0,0,0,0,1|1,0,0]=2 140 B11R1.91 CC(=O)OCC1=CC=CC=C1 27188 [0,0,0,0,0,1|1,0,0]=2 141 B11R1.91 NC(=O)OCC1=CC=CC=C1 27153 [0,0,0,0,0,1|1,0,0]=2 142 B11R1.91 O=C(O)C#CC1=CC=CC=C1 22061 [0,0,0,0,0,1|0,0,1]=2 143 B11R1.91 O=C(O)CCC1=CC=CC=C1 25774 [0,0,0,0,0,1|0,0,0]=1 144 B11R1.91 O=C(O)CNC1=CC=CC=C1 03076 [0,0,0,0,0,1|0,0,0]=1 145 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 01532 [0,0,0,0,0,1|0,0,1]=2 146 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 27055 [0,0,0,0,0,1|1,0,1]=3 147 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 28730 [0,0,0,0,0,1|1,0,1]=3 148 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 28144 [0,0,0,0,0,1|1,0,1]=3 149 B11R1.91 O=C([O-])COC1=CC=CC=C1 01413 [0,0,0,0,0,1|0,0,1]=2 150 B8R1.2 BrCC1=CC=CC=C1 00332 [2,0,0,0,0,0|1,0,0]=3 151 B8R1.2 C#CC1=CC=CC=C1 24540 [2,0,0,0,0,0|0,0,2]=4 152 B8R1.2 CC[N+]1=CC=CC=C1 31419 [2,0,0,0,0,0|1,0,1]=4 153 B8R1.2 COC1=CC=CC=C1 02045 [2,0,0,0,0,0|1,0,1]=4 154 B8R1.2 ClCC1=CC=CN=C1 06928 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.2 ClCC1=CC=NC=C1 06929 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.2 ClCC1=NC=CC=C1 06927 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.2 N#CC1=CC=CC=C1 27352 [2,0,0,0,0,0|1,0,1]=4 158 B8R1.2 NCC1=CC=CC=C1 29916 [2,0,0,0,0,0|1,0,0]=3 159 B8R1.2 NCC1=CC=CN=C1 27056 [2,0,0,0,0,0|2,0,0]=4 160 B8R1.2 NCC1=CC=NC=C1 27066 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.2 NCC1=CC=NC=C1 28201 [2,0,0,0,0,0|2,0,0]=4 162 B8R1.2 NNC1=CC=CC=C1 02348 [2,0,0,0,0,0|2,0,0]=4 163 B8R1.2 O=CC1=CC=NC=C1 07252 [2,0,0,0,0,0|1,0,0]=3 164 B8R1.2 O=CC1=CN=CN=C1 17090 [2,0,0,0,0,0|2,0,0]=4 165 B8R1.2 O=CC1=NC=CC=C1 02023 [2,0,0,0,0,0|1,0,0]=3 166 B8R1.2 O=CC1=NC=CN=C1 17542 [2,0,0,0,0,0|2,0,0]=4 167 B8R1.2 OCC1=CC=CC=C1 00371 [2,0,0,0,0,0|0,0,0]=2 168 B8R1.2 OCC1=CC=CN=C1 27054 [2,0,0,0,0,0|1,0,0]=3 169 B8R1.2 OCC1=CC=CN=N1 26187 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.2 OCC1=CC=NC=C1 12966 [2,0,0,0,0,0|1,0,0]=3 171 B8R1.2 OCC1=CN=CN=C1 26173 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.1 CCCC1=CC=C(Br)C=C1 27327 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.1 NCCC1=CC=C(Br)C=C1 18380 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.1 NCCC1=CC=C(N)C=C1 17000 [1,1,0,0,0,0|1,0,1]=4 175 B10R1.1 NCCC1=CC=C(O)C=C1 00831 [1,1,0,0,0,0|1,0,1]=4 176 B10R1.1 NCCC1=CC=C(O)C=C1 21913 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.1 O=CCC1=CC=C(Cl)C=C1 17835 [1,1,0,0,0,0|0,0,0]=2 178 B10R1.1 O=CCC1=CC=C(F)C=C1 17837 [1,1,0,0,0,0|0,0,0]=2 179 B10R1.1 OCCC1=CC=C(Cl)C=C1 26850 [1,1,0,0,0,0|0,0,1]=3 180 B10R1.4 NCCC1=C(N)C=CC=C1 17930 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.4 NOCC1=CC=CC=C1Cl 28477 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.4 NOCC1=CC=CC=C1F 29333 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 24130 [1,1,0,0,0,0|1,0,1]=4 184 B10R1.4 O\N=C\C1=C(O)C=CC=C1 22050 [1,1,0,0,0,0|1,0,1]=4 185 B10R1.10 N#CCC1=CC(Br)=CC=C1 26792 [1,1,0,0,0,0|1,0,1]=4 186 B10R1.10 N#CCC1=CC(I)=CC=C1 27588 [1,1,0,0,0,0|1,0,1]=4 187 B10R1.10 N#CCC1=CC(O)=CC=C1 28724 [1,1,0,0,0,0|1,0,1]=4 188 B10R1.15 BrCC(Br)C1=CC=CC=C1 26738 [1,1,0,0,0,0|1,0,1]=4 189 B10R1.15 CNC(C)C1=CC=CC=C1 28338 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [1,1,0,0,0,0|1,0,1]=4 191 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [1,1,0,0,0,0|0,0,1]=3 192 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [1,1,0,0,0,0|0,0,1]=3 193 B10R1.15 O=NN([O-])C1=CC=CC=C1 24604 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.15 OC[C@H](O)C1=CC=CC=C1 24591 [1,1,0,0,0,0|0,0,1]=3 195 B10R1.17 CCCCC1=CC=CC=C1 27221 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.17 CNCCC1=CC=CC=C1 23237 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.17 ClCOCC1=CC=CC=C1 00728 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.17 N#C\C=C\C1=CC=CC=C1 30870 [1,1,0,0,0,0|1,0,1]=4 199 B10R1.17 O=C\C=C\C1=CC=CC=C1 24523 [1,1,0,0,0,0|0,0,1]=3 200 B10R1.17 OCC#CC1=CC=CC=C1 27592 [1,1,0,0,0,0|0,0,2]=4 201 B10R1.13 CC(=O)C1=CC=C(C)C=C1 27193 [0,1,0,0,1,0|1,0,0]=3 202 B10R1.13 CC(=O)C1=CC=C(C)C=N1 17579 [0,1,0,0,1,0|2,0,0]=4 203 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 26758 [0,1,0,0,1,0|1,0,0]=3 204 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 28727 [0,1,0,0,1,0|2,0,0]=4 205 B10R1.13 CC(=O)C1=CC=C(F)C=C1 26748 [0,1,0,0,1,0|1,0,0]=3 206 B10R1.13 CC(=O)C1=CC=C(I)C=C1 27645 [0,1,0,0,1,0|1,0,0]=3 207 B10R1.13 CC(=O)C1=CC=C(O)C=C1 30857 [0,1,0,0,1,0|1,0,0]=3 208 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 17580 [0,1,0,0,1,0|2,0,0]=4 209 B10R1.13 CC(O)C1=CC=C(Br)C=C1 26914 [0,1,0,0,1,0|1,0,1]=4 210 B10R1.13 CC1=CC=C(B(O)O)C=C1 30418 [0,1,0,0,1,0|1,0,1]=4 211 B10R1.13 CC1=CC=C(C(=N)N)C=C1 17210 [0,1,0,0,1,0|2,0,0]=4 212 B10R1.13 CC1=CC=C(C(C)O)C=C1 27421 [0,1,0,0,1,0|1,0,1]=4 213 B10R1.13 CC1=NC=C(C(N)=O)C=C1 27040 [0,1,0,0,1,0|2,0,0]=4 214 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 20244 [0,1,0,0,1,0|2,0,0]=4 215 B10R1.13 N=C(N)C1=CC=C(F)C=C1 18998 [0,1,0,0,1,0|2,0,0]=4 216 B10R1.13 N=C(N)C1=CC=C(N)C=C1 03291 [0,1,0,0,1,0|2,0,0]=4 217 B10R1.13 N=C(N)C1=CC=C(O)C=C1 31279 [0,1,0,0,1,0|2,0,0]=4 218 B10R1.13 NC(=O)C1=CC=C(N)C=C1 31572 [0,1,0,0,1,0|1,0,0]=3 219 B10R1.13 NC(=O)C1=CC=C(O)C=C1 27157 [0,1,0,0,1,0|1,0,0]=3 220 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 28295 [0,1,0,0,1,0|2,0,0]=4 221 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 27009 [0,1,0,0,1,0|2,0,0]=4 222 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 17385 [0,1,0,0,1,0|1,1,0]=4 223 B10R1.13 NC1=CC=C(B(O)O)C=C1 26157 [0,1,0,0,1,0|1,0,1]=4 224 B10R1.13 NC1=CC=C(C(=O)O)C=C1 01431 [0,1,0,0,1,0|0,0,0]=2 225 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 01581 [0,1,0,0,1,0|0,0,1]=3 226 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 14327 [0,1,0,0,1,0|1,0,1]=4 227 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17086 [0,1,0,0,1,0|1,0,0]=3 228 B10R1.13 NC1=CN=C(C(=O)O)C=N1 19075 [0,1,0,0,1,0|2,0,0]=4 229 B10R1.13 NC1=NC=C(C(=O)O)C=C1 16981 [0,1,0,0,1,0|1,0,0]=3 230 B10R1.13 NC1=NN=C(C(=O)O)C=C1 19168 [0,1,0,0,1,0|2,0,0]=4 231 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 27696 [0,1,0,0,1,0|2,0,0]=4 232 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 28259 [0,1,0,0,1,0|1,0,0]=3 233 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 31562 [0,1,0,0,1,0|0,0,0]=2 234 B10R1.13 O=C(O)C1=CC=C(F)C=C1 26837 [0,1,0,0,1,0|0,0,0]=2 235 B10R1.13 O=C(O)C1=CC=C(I)C=C1 04894 [0,1,0,0,1,0|0,0,0]=2 236 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 25743 [0,1,0,0,1,0|1,0,0]=3 237 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 27008 [0,1,0,0,1,0|1,0,0]=3 238 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 29559 [0,1,0,0,1,0|1,0,0]=3 239 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 18713 [0,1,0,0,1,0|2,0,0]=4 240 B10R1.13 O=C(O)C1=CN=C(O)C=C1 24512 [0,1,0,0,1,0|1,0,0]=3 241 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 28862 [0,1,0,0,1,0|1,0,0]=3 242 B10R1.13 O=C(O)C1=NC=C(O)C=C1 28835 [0,1,0,0,1,0|1,0,0]=3 243 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 00597 [0,1,0,0,1,0|0,0,1]=3 244 B10R1.13 O=C1C=CC(C(=O)O)=CO1 28092 [0,1,0,0,1,0|1,0,0]=3 245 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 31760 [0,1,0,0,1,0|1,0,1]=4 246 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 02340 [0,1,0,0,1,0|1,0,1]=4 247 B10R1.13 OB(O)C1=CC=C(Br)C=C1 26800 [0,1,0,0,1,0|1,0,1]=4 248 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 27554 [0,1,0,0,1,0|1,0,1]=4 249 B10R1.13 OB(O)C1=CC=C(F)C=C1 27553 [0,1,0,0,1,0|1,0,1]=4 250 B10R1.13 OB(O)C1=CC=C(O)C=C1 31431 [0,1,0,0,1,0|1,0,1]=4 251 B10R1.28 CC(C)(O)C1=CC=CC=C1 14408 [0,1,0,0,1,0|1,0,1]=4 252 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 24129 [0,1,0,0,1,0|1,0,1]=4 253 B10R1.61 CC(=O)C1=C(C)C=CC=C1 30419 [0,1,0,0,1,0|1,0,0]=3 254 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 26752 [0,1,0,0,1,0|1,0,0]=3 255 B10R1.61 CC(=O)C1=C(F)C=CC=C1 26745 [0,1,0,0,1,0|1,0,0]=3 256 B10R1.61 CC(=O)C1=C(N)C=CC=N1 17575 [0,1,0,0,1,0|2,0,0]=4 257 B10R1.61 CC(=O)C1=CC=CN=C1Br 18013 [0,1,0,0,1,0|2,0,0]=4 258 B10R1.61 CC(=O)C1=CC=CN=C1Cl 28803 [0,1,0,0,1,0|2,0,0]=4 259 B10R1.61 CC(=O)C1=CC=CN=C1N 17315 [0,1,0,0,1,0|2,0,0]=4 260 B10R1.61 CC1=C(B(O)O)C=CC=C1 24607 [0,1,0,0,1,0|1,0,1]=4 261 B10R1.61 CC1=C(C(=O)O)C=CN=C1 17262 [0,1,0,0,1,0|1,0,0]=3 262 B10R1.61 CC1=CC=CC=C1C(=N)N 20038 [0,1,0,0,1,0|2,0,0]=4 263 B10R1.61 N=C(N)C1=CC=CC=C1Br 19996 [0,1,0,0,1,0|2,0,0]=4 264 B10R1.61 N=C(N)C1=CC=CC=C1Cl 20015 [0,1,0,0,1,0|2,0,0]=4 265 B10R1.61 N=C(N)C1=CC=CC=C1F 17984 [0,1,0,0,1,0|2,0,0]=4 266 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 27155 [0,1,0,0,1,0|1,0,0]=3 267 B10R1.61 NC(=O)C1=C(N)C=CC=C1 24534 [0,1,0,0,1,0|1,0,0]=3 268 B10R1.61 NC(=O)C1=C(N)C=CC=N1 18868 [0,1,0,0,1,0|2,0,0]=4 269 B10R1.61 NC(=O)C1=C(N)C=NC=C1 26244 [0,1,0,0,1,0|2,0,0]=4 270 B10R1.61 NC(=O)C1=CN=CC=C1N 26283 [0,1,0,0,1,0|2,0,0]=4 271 B10R1.61 NC(=S)C1=C(O)C=CC=C1 28538 [0,1,0,0,1,0|1,1,0]=4 272 B10R1.61 NC1=CC=CN=C1C(=O)O 17022 [0,1,0,0,1,0|1,0,0]=3 273 B10R1.61 NC1=CC=NC=C1C(=O)O 16977 [0,1,0,0,1,0|1,0,0]=3 274 B10R1.61 NC1=CN=CC=C1C(=O)O 16979 [0,1,0,0,1,0|1,0,0]=3 275 B10R1.61 NC1=CN=NC=C1C(=O)O 20373 [0,1,0,0,1,0|2,0,0]=4 276 B10R1.61 NC1=NC=CC=C1C(=O)O 27030 [0,1,0,0,1,0|1,0,0]=3 277 B10R1.61 NC1=NC=NC=C1C(=O)O 17477 [0,1,0,0,1,0|2,0,0]=4 278 B10R1.61 NC1=NN=CC=C1C(=O)O 18020 [0,1,0,0,1,0|2,0,0]=4 279 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 28502 [0,1,0,0,1,0|1,0,0]=3 280 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18059 [0,1,0,0,1,0|1,0,0]=3 281 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 31560 [0,1,0,0,1,0|0,0,0]=2 282 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 28530 [0,1,0,0,1,0|1,0,0]=3 283 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 27926 [0,1,0,0,1,0|1,0,0]=3 284 B10R1.61 O=C(O)C1=C(Cl)N=CC=N1 17679 [0,1,0,0,1,0|2,0,0]=4 285 B10R1.61 O=C(O)C1=C(F)C=CC=C1 30015 [0,1,0,0,1,0|0,0,0]=2 286 B10R1.61 O=C(O)C1=C(I)C=CC=C1 24457 [0,1,0,0,1,0|0,0,0]=2 287 B10R1.61 O=C(O)C1=C(I)C=CC=N1 28576 [0,1,0,0,1,0|1,0,0]=3 288 B10R1.61 O=C(O)C1=C(O)C=CC=C1 01498 [0,1,0,0,1,0|0,0,0]=2 289 B10R1.61 O=C(O)C1=C(O)C=CC=C1 30167 [0,1,0,0,1,0|0,0,0]=2 290 B10R1.61 O=C(O)C1=C(S)C=CC=C1 24480 [0,1,0,0,1,0|0,0,0]=2 291 B10R1.61 O=C(O)C1=CC=CN=C1Cl 31902 [0,1,0,0,1,0|1,0,0]=3 292 B10R1.61 O=C(O)C1=CC=CN=C1F 27581 [0,1,0,0,1,0|1,0,0]=3 293 B10R1.61 O=C(O)C1=CC=NC=C1Br 17194 [0,1,0,0,1,0|1,0,0]=3 294 B10R1.61 O=C(O)C1=CC=NC=C1I 26142 [0,1,0,0,1,0|1,0,0]=3 295 B10R1.61 O=C(O)C1=NC=CC=C1O 24514 [0,1,0,0,1,0|1,0,0]=3 296 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 26494 [0,1,0,0,1,0|0,0,1]=3 297 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 27094 [0,1,0,0,1,0|1,0,1]=4 298 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 27099 [0,1,0,0,1,0|1,0,1]=4 299 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 02339 [0,1,0,0,1,0|1,0,1]=4 300 B10R1.61 OB(O)C1=CC=CC=C1Br 31066 [0,1,0,0,1,0|1,0,1]=4 301 B10R1.61 OB(O)C1=CC=CC=C1Br 31430 [0,1,0,0,1,0|1,0,1]=4 302 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 28669 [0,1,0,0,1,0|2,0,0]=4 303 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 29041 [0,1,0,0,1,0|2,0,0]=4 304 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 26733 [0,1,0,0,1,0|1,0,0]=3 305 B10R1.113 CC(=O)C1=CC=CC(C)=N1 17414 [0,1,0,0,1,0|2,0,0]=4 306 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 26755 [0,1,0,0,1,0|1,0,0]=3 307 B10R1.113 CC(=O)C1=CC=CC(F)=C1 26746 [0,1,0,0,1,0|1,0,0]=3 308 B10R1.113 CC(=O)C1=CC=CC(O)=C1 30369 [0,1,0,0,1,0|1,0,0]=3 309 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 28308 [0,1,0,0,1,0|2,0,0]=4 310 B10R1.113 CC(=O)C1=NC=CC(C)=C1 28572 [0,1,0,0,1,0|2,0,0]=4 311 B10R1.113 CC1=CC=CC(C(=N)N)=C1 17682 [0,1,0,0,1,0|2,0,0]=4 312 B10R1.113 CC1=CC=CC(C(=O)O)=C1 29915 [0,1,0,0,1,0|0,0,0]=2 313 B10R1.113 CC1=CN=CC(C(=O)O)=C1 28423 [0,1,0,0,1,0|1,0,0]=3 314 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 21732 [0,1,0,0,1,0|1,0,0]=3 315 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 32536 [0,1,0,0,1,0|1,0,0]=3 316 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 20111 [0,1,0,0,1,0|2,0,0]=4 317 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 18893 [0,1,0,0,1,0|2,0,0]=4 318 B10R1.113 N=C(N)C1=CC=CC(F)=C1 17461 [0,1,0,0,1,0|2,0,0]=4 319 B10R1.113 N=C(N)C1=CC=CC(F)=C1 18901 [0,1,0,0,1,0|2,0,0]=4 320 B10R1.113 N=C(N)C1=CC=CC(F)=C1 31282 [0,1,0,0,1,0|2,0,0]=4 321 B10R1.113 NC(=O)C1=CC(N)=CC=C1 31578 [0,1,0,0,1,0|1,0,0]=3 322 B10R1.113 NC(=O)C1=CC(N)=NC=C1 28791 [0,1,0,0,1,0|2,0,0]=4 323 B10R1.113 NC(=O)C1=CC=CC(I)=C1 27982 [0,1,0,0,1,0|1,0,0]=3 324 B10R1.113 NC(=O)C1=CC=C[N+]([O-])=C1 26992 [0,1,0,0,1,0|2,0,0]=4 325 B10R1.113 NC1=CC(B(O)O)=CC=C1 27141 [0,1,0,0,1,0|1,0,1]=4 326 B10R1.113 NC1=CC(C(=O)O)=CC=C1 06887 [0,1,0,0,1,0|0,0,0]=2 327 B10R1.113 NC1=CC(C(=O)O)=CC=N1 28237 [0,1,0,0,1,0|1,0,0]=3 328 B10R1.113 NC1=CC(C(=O)O)=NC=C1 17204 [0,1,0,0,1,0|1,0,0]=3 329 B10R1.113 NC1=NC(C(=O)O)=CC=C1 28235 [0,1,0,0,1,0|1,0,0]=3 330 B10R1.113 NC1=NC(C(=O)O)=CC=N1 26235 [0,1,0,0,1,0|2,0,0]=4 331 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 25550 [0,1,0,0,1,0|1,0,0]=3 332 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 31561 [0,1,0,0,1,0|0,0,0]=2 333 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 28167 [0,1,0,0,1,0|1,0,0]=3 334 B10R1.113 O=C(O)C1=CC(F)=CC=C1 30016 [0,1,0,0,1,0|0,0,0]=2 335 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 28102 [0,1,0,0,1,0|1,0,0]=3 336 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 26991 [0,1,0,0,1,0|1,0,0]=3 337 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 28522 [0,1,0,0,1,0|1,0,0]=3 338 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 18712 [0,1,0,0,1,0|2,0,0]=4 339 B10R1.113 O=C(O)C1=CC=NC(O)=C1 17184 [0,1,0,0,1,0|1,0,0]=3 340 B10R1.113 O=C(O)C1=CN=CC(F)=C1 17284 [0,1,0,0,1,0|1,0,0]=3 341 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 27904 [0,1,0,0,1,0|1,0,0]=3 342 B10R1.113 O=C(O)C1=NC=CC(I)=C1 17484 [0,1,0,0,1,0|1,0,0]=3 343 B10R1.113 O=[N+]([O-])C1=CC(Br)=CC=C1 27497 [0,1,0,0,1,0|1,0,1]=4 344 B10R1.113 O=[N+]([O-])C1=CC(I)=CC=C1 27106 [0,1,0,0,1,0|1,0,1]=4 345 B10R1.113 O=[N+]([O-])C1=CC(O)=CC=C1 21241 [0,1,0,0,1,0|1,0,1]=4 346 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 31440 [0,1,0,0,1,0|1,0,1]=4 347 B10R1.113 OB(O)C1=CC(F)=CC=C1 31441 [0,1,0,0,1,0|1,0,1]=4 348 B10R1.113 OB(O)C1=CC=CC(Br)=C1 31067 [0,1,0,0,1,0|1,0,1]=4 349 B10R1.113 OB(O)C1=CC=CC(Br)=C1 31433 [0,1,0,0,1,0|1,0,1]=4 350 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 16638 [0,1,0,0,1,0|1,0,0]=3 351 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 16641 [0,1,0,0,1,0|1,0,0]=3 352 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 16644 [0,1,0,0,1,0|1,0,0]=3 353 B10R1.23 N[C@H](C(=O)O)C1=CSC=C1 16647 [0,1,0,0,1,0|1,0,0]=3 354 B10R1.54 CC1=NC(CC(=O)O)=CS1 17131 [0,1,0,0,1,0|2,0,0]=4 355 B10R1.54 CC1=NN(CC(=O)O)C=C1 17224 [0,1,0,0,1,0|2,0,0]=4 356 B10R1.64 CC1=CC=NN1CC(=O)O 17312 [0,1,0,0,1,0|2,0,0]=4 357 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 26066 [0,1,0,0,0,1|1,0,1]=4 358 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 25777 [0,1,0,0,0,1|0,0,0]=2 359 B12R1.21 N=C(N)SCC1=CC=C(Cl)C=C1 23238 [0,1,0,0,0,1|2,0,0]=4 360 B12R1.21 N=C(N)SCC1=CC=C(F)C=C1 23288 [0,1,0,0,0,1|2,0,0]=4 361 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 29066 [0,1,0,0,0,1|0,0,0]=2 362 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 25775 [0,1,0,0,0,1|0,0,0]=2 363 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 25776 [0,1,0,0,0,1|0,0,0]=2 364 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 05284 [0,1,0,0,0,1|0,0,0]=2 365 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 01471 [0,1,0,0,0,1|0,0,0]=2 366 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 24940 [0,1,0,0,0,1|0,0,1]=3 367 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 30865 [0,1,0,0,0,1|0,0,1]=3 368 B12R1.27 NCC(=O)OCC1=CC=CC=C1 03071 [0,1,0,0,0,1|1,0,0]=3 369 B12R1.27 NCC(=O)OCC1=CC=CC=C1 03352 [0,1,0,0,0,1|1,0,0]=3 370 B12R1.27 NNC(=O)OCC1=CC=CC=C1 05288 [0,1,0,0,0,1|1,0,0]=3 371 B12R1.27 O=C(NO)OCC1=CC=CC=C1 31324 [0,1,0,0,0,1|0,0,0]=2 372 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 23228 [0,1,0,0,0,1|0,0,0]=2 373 B12R1.43 CC(OC1=CC=CC=C1)C(N)=O 23313 [0,1,0,0,0,1|1,0,0]=3 374 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 08461 [0,1,0,0,0,1|1,0,0]=3 375 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 03113 [0,1,0,0,0,1|1,0,0]=3 376 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 06180 [0,1,0,0,0,1|1,0,0]=3 377 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 03114 [0,1,0,0,0,1|1,0,0]=3 378 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 05994 [0,1,0,0,0,1|1,0,0]=3 379 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 00710 [0,1,0,0,0,1|0,0,0]=2 380 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O 07082 [0,1,0,0,0,1|1,0,0]=3 381 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O 06213 [0,1,0,0,0,1|1,0,0]=3 382 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 00243 [0,1,0,0,0,1|0,0,0]=2 383 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 02853 [0,1,0,0,0,1|1,0,0]=3 384 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 06924 [0,1,0,0,0,1|1,0,0]=3 385 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O 06211 [0,1,0,0,0,1|1,0,0]=3 386 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 00244 [0,1,0,0,0,1|0,0,0]=2 387 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O 06212 [0,1,0,0,0,1|1,0,0]=3 388 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 06217 [0,1,0,0,0,1|1,0,0]=3 389 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O 06925 [0,1,0,0,0,1|1,0,0]=3 390 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 08027 [0,1,0,0,0,1|0,0,0]=2 391 B12R1.43 O=C(O)C(O)CC1=CN=CC=C1 11562 [0,1,0,0,0,1|1,0,0]=3 392 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 09427 [0,1,0,0,0,1|0,0,0]=2 393 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 08031 [0,1,0,0,0,1|0,0,0]=2 394 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 21660 [0,1,0,0,0,1|0,0,1]=3 395 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 02274 [0,1,0,0,0,1|1,0,0]=3 396 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 29996 [0,1,0,0,0,1|0,0,0]=2 397 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 11563 [0,1,0,0,0,1|1,0,0]=3 398 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 15326 [0,1,0,0,0,1|0,0,0]=2 399 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 15205 [0,1,0,0,0,1|1,0,0]=3 400 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 15327 [0,1,0,0,0,1|0,0,0]=2 401 B12R1.107 N[C@H](CC(=O)O)C1=CN=CC=C1 15220 [0,1,0,0,0,1|1,0,0]=3 402 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 27370 [0,1,0,0,0,1|0,0,0]=2 403 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 17094 [0,1,0,0,0,1|0,0,0]=2 404 B12R1.4 CC(=O)NC1=CC=C(CO)C=C1 31338 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 26881 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 30371 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 18055 [0,2,0,0,0,0|0,0,0]=2 408 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 00044 [0,2,0,0,0,0|0,0,0]=2 409 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 27781 [0,2,0,0,0,0|0,0,0]=2 410 B12R1.19 CC(=O)CC1=CC(Cl)=C(Cl)C=C1 28197 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.19 CC1=CC(CC(=O)O)=CC=C1O 28947 [0,2,0,0,0,0|0,0,0]=2 412 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 21643 [0,2,0,0,0,0|0,0,0]=2 413 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 21188 [0,2,0,0,0,0|0,0,0]=2 414 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 29249 [0,2,0,0,0,0|0,0,0]=2 415 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 11758 [0,2,0,0,0,0|0,0,0]=2 416 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 26907 [0,2,0,0,0,0|0,0,0]=2 417 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 27619 [0,2,0,0,0,0|0,0,0]=2 418 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 16170 [0,2,0,0,0,0|1,0,1]=4 419 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 16629 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 16227 [0,2,0,0,0,0|1,0,1]=4 421 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=C1 25944 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.106 CC1=CC=C(CS(=O)(=O)Cl)C=C1 23391 [0,2,0,0,0,0|1,0,1]=4 423 B12R1.106 O=S(=O)(Cl)CC1=CC=C(Cl)C=C1 23387 [0,2,0,0,0,0|1,0,1]=4 424 B12R1.106 O=S(=O)(Cl)CC1=CC=C(F)C=C1 23390 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.233 CC(=O)NC1=C(F)C=C(Br)C=C1 29874 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 29150 [0,2,0,0,0,0|0,0,0]=2 427 B12R1.233 O=C(O)CC1=C(Br)C=C(O)C=C1 28993 [0,2,0,0,0,0|0,0,0]=2 428 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 31182 [0,2,0,0,0,0|0,0,0]=2 429 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 03127 [0,2,0,0,0,0|0,0,0]=2 430 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 16613 [0,2,0,0,0,0|0,0,0]=2 431 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 05997 [0,2,0,0,0,0|0,0,0]=2 432 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 16541 [0,2,0,0,0,0|0,0,0]=2 433 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 28774 [0,2,0,0,0,0|0,0,0]=2 434 B12R1.124 O=C(O)[C@H](O)C1=CC=CC=C1Cl 31723 [0,2,0,0,0,0|0,0,0]=2 435 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 22474 [0,2,0,0,0,0|0,0,0]=2 436 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 24119 [0,2,0,0,0,0|1,0,0]=3 437 B12R1.478 CCC(C(=O)Cl)C1=CC=CC=C1 30868 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 30847 [0,2,0,0,0,0|0,0,0]=2 439 B12R1.478 CNC(C(=O)O)C1=CC=CC=C1 09611 [0,2,0,0,0,0|0,0,0]=2 440 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 16407 [0,2,0,0,0,0|0,0,0]=2 441 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 16408 [0,2,0,0,0,0|0,0,0]=2 442 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 16594 [0,2,0,0,0,0|0,0,0]=2 443 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 16614 [0,2,0,0,0,0|0,0,0]=2 444 B12R1.32 CCOC(=O)CC1=CC=CC=C1 27212 [0,2,0,0,0,0|0,0,0]=2 445 B12R1.371 C=CC(=O)NC1=C(I)C=CC=C1 23921 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 27375 [0,2,0,0,0,0|0,0,0]=2 447 B12R1.224 NC1=CC=CN(CC(=O)O)C1=O 14051 [0,2,0,0,0,0|1,0,0]=3 448 B12R1.438 O=C(O)CC1=CC(CCl)=CC=C1 17553 [0,2,0,0,0,0|0,0,0]=2 449 B10R2.7 C1=CC2=C(C=C1)CC=C2 21927 [1,0,0,1,0,0|1,0,0]=3 450 B10R2.7 C1=CC2=C(C=C1)NC=C2 21854 [1,0,0,1,0,0|1,0,1]=4 451 B10R2.7 C1=CC2=C(C=C1)NC=N2 26958 [1,0,0,1,0,0|2,0,0]=4 452 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 18446 [0,0,0,1,0,1|1,0,0]=3 453 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 14365 [0,0,0,1,0,1|1,0,0]=3 454 B12R2.24 O=C1CCC2=C(N=CC=C2)N1 20082 [0,0,0,1,0,1|2,0,0]=4 455 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 17342 [0,0,0,1,0,1|1,0,0]=3 456 B12R2.24 O=C1COC2=C(C=CC=C2)N1 24676 [0,0,0,1,0,1|1,0,0]=3 457 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 25858 [0,0,0,1,0,1|1,0,0]=3 458 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 19127 [0,1,0,1,0,0|1,0,0]=3 459 B12R2.606 CC1=CC=C2OC(=O)NC2=C1 26069 [0,1,0,1,0,0|1,0,0]=3 460 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 30817 [0,1,0,1,0,0|2,0,0]=4 461 B12R2.606 FC1=CC=C2OC(S)=NC2=C1 25939 [0,1,0,1,0,0|1,1,0]=4 462 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 25003 [0,1,0,1,0,0|1,0,0]=3 463 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 17218 [0,1,0,1,0,0|1,0,0]=3 464 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 22024 [0,1,0,1,0,0|1,0,0]=3 465 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 21498 [0,1,0,1,0,0|1,0,0]=3 466 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 21830 [0,1,0,1,0,0|1,0,0]=3 467 B12R2.606 O=C1CC2=C(C=CC(Cl)=C2)N1 22003 [0,1,0,1,0,0|1,0,0]=3 468 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 28613 [0,1,0,1,0,0|1,0,0]=3 469 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 21800 [0,1,0,1,0,0|1,0,0]=3 470 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 19085 [0,1,0,1,0,0|2,0,0]=4 471 B12R2.606 O=C1NC2=C(C=C(O)C=C2)O1 24712 [0,1,0,1,0,0|1,0,0]=3 472 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 26067 [0,1,0,1,0,0|1,0,0]=3 473 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)S1 27747 [0,1,0,1,0,0|1,1,0]=4 474 B12R2.606 O=C1NC2=CC(F)=CC=C2O1 26068 [0,1,0,1,0,0|1,0,0]=3 475 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 28331 [0,1,0,1,0,0|1,0,0]=3 476 B12R2.606 SC1=NC2=C(C=CC(Cl)=C2)O1 25937 [0,1,0,1,0,0|1,1,0]=4 477 B12R2.606 SC1=NC2=CC(Br)=CC=C2O1 25938 [0,1,0,1,0,0|1,1,0]=4 478 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O 00851 [0,1,0,1,0,0|1,0,1]=4 479 B12R2.32 CCC1=CC2=C(C=CC=C2)O1 30354 [0,1,0,1,0,0|1,0,1]=4 480 B12R2.32 NNC1=NC2=C(C=CC=C2)O1 17220 [0,1,0,1,0,0|2,0,0]=4 481 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 17607 [0,1,0,1,0,0|1,0,1]=4 482 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 17138 [0,1,0,1,0,0|2,0,0]=4 483 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 17164 [0,1,0,1,0,0|1,1,0]=4 484 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 16551 [0,1,0,1,0,0|1,0,1]=4 485 B12R2.202 O=C1CC2=C(C=CC=C2Br)N1 26203 [0,1,0,1,0,0|1,0,0]=3 486 B12R2.202 O=C1CC2=C(C=CC=C2Cl)N1 17482 [0,1,0,1,0,0|1,0,0]=3 487 B12R2.202 O=C1CC2=C(N1)C(F)=CC=C2 21289 [0,1,0,1,0,0|1,0,0]=3 488 B8R1.7 CC(=O)C1=CC=CO1 29786 [0,0,0,0,2,0|2,0,0]=4 489 B8R1.7 CC(=O)C1=CSC=C1 26949 [0,0,0,0,2,0|2,0,0]=4 490 B8R1.7 O=C(O)C1=CC=CN1 24486 [0,0,0,0,2,0|1,0,0]=3 491 B8R1.7 O=C(O)C1=CC=CO1 31538 [0,0,0,0,2,0|1,0,0]=3 492 B8R1.7 O=C(O)C1=CC=NN1 17336 [0,0,0,0,2,0|2,0,0]=4 493 B8R1.7 O=C(O)C1=CN=CO1 17808 [0,0,0,0,2,0|2,0,0]=4 494 B8R1.7 O=C(O)C1=CN=CS1 17129 [0,0,0,0,2,0|2,0,0]=4 495 B8R1.7 O=C(O)C1=CNC=N1 29769 [0,0,0,0,2,0|2,0,0]=4 496 B8R1.7 O=C(O)C1=COC=C1 26942 [0,0,0,0,2,0|1,0,0]=3 497 B8R1.7 O=C(O)C1=COC=N1 17539 [0,0,0,0,2,0|2,0,0]=4 498 B8R1.7 O=C(O)C1=CON=C1 18200 [0,0,0,0,2,0|2,0,0]=4 499 B8R1.7 O=C(O)C1=CSC=C1 16738 [0,0,0,0,2,0|1,0,0]=3 500 B8R1.7 O=C(O)C1=CSC=C1 26948 [0,0,0,0,2,0|1,0,0]=3 501 B8R1.7 O=C(O)C1=CSC=N1 17027 [0,0,0,0,2,0|2,0,0]=4 502 B8R1.7 O=C(O)C1=NC=CO1 19468 [0,0,0,0,2,0|2,0,0]=4 503 B8R1.7 O=C(O)C1=NC=CS1 17814 [0,0,0,0,2,0|2,0,0]=4 504 B8R1.7 O=C(O)C1=NOC=C1 17364 [0,0,0,0,2,0|2,0,0]=4 505 B12R1.252 O=C(O)CCCC1=CC=CC=C1 30722 [0,0,0,0,0,2|0,0,0]=2 506 B12R1.252 O=C(O)CCCC1=CCC=CC1 24375 [0,0,0,0,0,2|0,0,2]=4 507 B12R1.252 O=C(O)CNCC1=CC=CC=C1 05637 [0,0,0,0,0,2|0,0,0]=2 508 B12R1.252 O=C(O)CNCC1=CC=CC=C1 17126 [0,0,0,0,0,2|0,0,0]=2 509 B12R1.252 O=C(O)COCC1=CC=CC=C1 28313 [0,0,0,0,0,2|0,0,0]=2 510 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 22384 [0,0,0,0,0,2|0,0,0]=2