0 B9R1.6 C=C(F)C1=CC=CC=C1 1021AL [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 CC(=N)C1=CC=CN=C1 Y6078 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.6 CC(Cl)C1=NC=CN=C1 Z2354 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 CC(N)C1=CN=NC=C1 0280AA [0,0,0,0,0,0|2,0,1]=3 4 B9R1.6 CC(O)C1=CN=CN=C1 9546AH [0,0,0,0,0,0|2,0,2]=4 5 B9R1.6 NC(=S)C1=CC=CN=N1 4151AC [0,0,0,0,0,0|1,1,0]=2 6 B9R1.6 O=C(O)C1=NC=CN=N1 9945AB [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 BrCC1=CN=CN=C1 1987AB [1,0,0,0,0,0|2,0,1]=4 8 B8R1.2 BrCC1=NN=CC=C1 X0198 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.2 ClCC1=NC=CN=C1 Y8973 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.2 ClCC1=NN=CC=C1 5659AB [1,0,0,0,0,0|2,0,1]=4 11 B8R1.2 NCC1=CN=CN=C1 W4845 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.2 NCC1=NC=CN=C1 9838AJ [1,0,0,0,0,0|1,0,1]=3 13 B8R1.2 NNC1=CC=CN=C1 Z1664 [1,0,0,0,0,0|1,0,0]=2 14 B8R1.2 O=CC1=CC=NC=N1 W4791 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 7866AF [0,1,0,0,0,0|3,0,0]=4 16 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 O022 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.13 CC1=NC=C(C(C)N)C=N1 1500AA [0,1,0,0,0,0|2,0,1]=4 18 B10R1.13 CC1=NC=C([N+](=O)[O-])C=N1 6835AA [0,1,0,0,0,0|3,0,0]=4 19 B10R1.13 CC1=NN=C(N(C)N)C=C1 W3823 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 W7028 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 W7688 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.13 ClC1=CC=C(C(Cl)Cl)C=N1 8779AE [0,1,0,0,0,0|2,0,1]=4 23 B10R1.13 N=C(N)C1=CC=C(Cl)N=C1 0357AB [0,1,0,0,0,0|1,0,0]=2 24 B10R1.13 N=C(N)C1=CC=C(Cl)N=C1 3424AA [0,1,0,0,0,0|1,0,0]=2 25 B10R1.13 N=C(N)C1=CN=C(Br)C=C1 6224AA [0,1,0,0,0,0|1,0,0]=2 26 B10R1.13 NC1=CN=C(C(=O)O)C=N1 Y3266 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.13 N[N+]1=CC=C(C(=O)[O-])C=C1 9677AH [0,1,0,0,0,0|3,0,0]=4 28 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)C=N1 Y4450 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.15 C=C(CBr)C1=CC=CC=C1 Z4610 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.15 COC(=O)C1=CN=NN=C1 7497AA [0,1,0,0,0,0|3,0,0]=4 31 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 1195AL [0,1,0,0,0,0|2,0,1]=4 32 B10R1.15 NCC(=O)C1=CC=NC=C1 1463AJ [0,1,0,0,0,0|2,0,0]=3 33 B10R1.15 NCC(=O)C1=NC=CC=C1 1454AJ [0,1,0,0,0,0|2,0,0]=3 34 B10R1.15 NCC(=O)C1=NC=CC=C1 1462AJ [0,1,0,0,0,0|2,0,0]=3 35 B10R1.15 NCC(O)C1=CC=CC=C1 3929AE [0,1,0,0,0,0|1,0,2]=4 36 B10R1.15 NC[C@@H](F)C1=CC=CC=C1 0407AQ [0,1,0,0,0,0|2,0,1]=4 37 B10R1.15 NNC(=O)C1=CN=CN=C1 5591AB [0,1,0,0,0,0|1,0,0]=2 38 B10R1.15 O=C(CBr)C1=CN=CN=C1 8569AB [0,1,0,0,0,0|2,0,0]=3 39 B10R1.15 O=C(CBr)C1=CN=CN=C1 8570AB [0,1,0,0,0,0|2,0,0]=3 40 B10R1.15 O=C(CBr)C1=NC=CN=C1 5221AA [0,1,0,0,0,0|2,0,0]=3 41 B10R1.15 O=CC(Br)C1=CC=CC=C1 8662AA [0,1,0,0,0,0|2,0,1]=4 42 B10R1.61 CC(=O)C1=C(C)C=CN=C1 1844AB [0,1,0,0,0,0|1,0,0]=2 43 B10R1.61 CC(=O)C1=C(F)C=CN=C1 4483AC [0,1,0,0,0,0|1,0,0]=2 44 B10R1.61 CC1=CC=CC=C1[C@@H](C)N X8767 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.61 CC1=CC=CN=C1C(=N)N 2363AJ [0,1,0,0,0,0|3,0,0]=4 46 B10R1.61 CC1=CC=NC=C1C(N)=S 2293AE [0,1,0,0,0,0|0,1,0]=2 47 B10R1.61 FC(F)C1=C(Cl)N=CC=C1 1022AF [0,1,0,0,0,0|2,0,1]=4 48 B10R1.61 N=C(N)C1=C(Cl)N=CC=C1 6445AB [0,1,0,0,0,0|1,0,0]=2 49 B10R1.61 N=C(N)C1=C(F)C=CC=N1 2279AJ [0,1,0,0,0,0|3,0,0]=4 50 B10R1.61 N=C(N)C1=CC=CC=C1O Y9154 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.61 N=C(N)C1=NC=CC=C1F 2280AJ [0,1,0,0,0,0|3,0,0]=4 52 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 W9002 [0,1,0,0,0,0|0,0,0]=1 53 B10R1.61 NC(=O)C1=CC=NNC1=O 0831AB [0,1,0,0,0,0|1,0,1]=3 54 B10R1.61 NC(=S)C1=C(N)C=CC=N1 5828AB [0,1,0,0,0,0|2,1,0]=4 55 B10R1.61 NC(=S)C1=C(N)C=CN=C1 5829AB [0,1,0,0,0,0|0,1,0]=2 56 B10R1.61 NC(=S)C1=C(N)C=NC=C1 7532AA [0,1,0,0,0,0|2,1,0]=4 57 B10R1.61 NC(=S)C1=C(N)N=CC=C1 5826AB [0,1,0,0,0,0|0,1,0]=2 58 B10R1.61 NC1=C(C(=O)O)N=NC=C1 0672AB [0,1,0,0,0,0|2,0,0]=3 59 B10R1.61 NC1=CC=NN=C1C(=O)O 2653AJ [0,1,0,0,0,0|2,0,0]=3 60 B10R1.61 NC1=CN=NC=C1C(=O)O 5790AH [0,1,0,0,0,0|2,0,0]=3 61 B10R1.61 O=C(O)C1=C(Cl)N=CN=C1 Y4739 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.61 O=C(O)C1=CC=COC1=O 9602AD [0,1,0,0,0,0|2,0,0]=3 63 B10R1.61 O=C(O)C1=CC=NN=C1Cl X8609 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.61 O=C(O)C1=NC=CC=C1F 5886AJ [0,1,0,0,0,0|3,0,0]=4 65 B10R1.61 O=[N+]([O-])C1=C(Br)C=CN=C1 Y5986 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.61 O=[N+]([O-])C1=C(I)N=CC=C1 0706AB [0,1,0,0,0,0|2,0,0]=3 67 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 3407AA [0,1,0,0,0,0|2,0,0]=3 68 B10R1.113 CC(N)C1=CC(O)=CC=C1 Y9690 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.113 CC(N)C1=CC=CC(N)=C1 2191AL [0,1,0,0,0,0|2,0,1]=4 70 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 W3721 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 2975AH [0,1,0,0,0,0|2,0,1]=4 72 B10R1.113 N=C(N)C1=CC(O)=CC=C1 7158AE [0,1,0,0,0,0|2,0,0]=3 73 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 2246AJ [0,1,0,0,0,0|2,0,0]=3 74 B10R1.113 N=C(N)C1=CC=NC(Cl)=C1 4779AA [0,1,0,0,0,0|3,0,0]=4 75 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 Y8555 [0,1,0,0,0,0|0,0,0]=1 76 B10R1.113 NC(=S)C1=CC(N)=CN=C1 6354AA [0,1,0,0,0,0|0,1,0]=2 77 B10R1.113 NC(=S)C1=NC(N)=CC=C1 6177AA [0,1,0,0,0,0|2,1,0]=4 78 B10R1.113 NC(=S)C1=NC=CC(N)=C1 6186AA [0,1,0,0,0,0|2,1,0]=4 79 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 8289AJ [0,1,0,0,0,0|2,0,0]=3 80 B10R1.113 O=C(O)C1=NC(F)=CN=C1 0752AD [0,1,0,0,0,0|2,0,0]=3 81 B10R1.113 O=C(O)C1=NC=CC(O)=C1 6183AJ [0,1,0,0,0,0|3,0,0]=4 82 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 3821AL [0,1,0,0,0,0|2,0,0]=3 83 B10R2.6 C1=CC(C2CC2)=CN=C1 Y1556 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.7 CC(=O)C1=COC=N1 9362AH [0,0,0,0,1,0|2,0,0]=3 85 B8R1.7 CC(=O)C1=CON=C1 2844AC [0,0,0,0,1,0|2,0,0]=3 86 B8R1.7 CC(=O)C1=CSN=C1 9903AH [0,0,0,0,1,0|2,0,0]=3 87 B8R1.7 CC(=O)C1=NC=CO1 W8389 [0,0,0,0,1,0|2,0,0]=3 88 B8R1.7 CC(=O)C1=NOC=C1 4155AC [0,0,0,0,1,0|2,0,0]=3 89 B8R1.7 CC(N)C1=CC=NO1 Z3517 [0,0,0,0,1,0|2,0,1]=4 90 B8R1.7 CC(N)C1=CN=CO1 3478AB [0,0,0,0,1,0|2,0,1]=4 91 B8R1.7 CC(N)C1=CNC=N1 9364AH [0,0,0,0,1,0|2,0,1]=4 92 B8R1.7 CC(N)C1=NC=CS1 5721AC [0,0,0,0,1,0|2,0,1]=4 93 B8R1.7 N=C(N)C1=CC=CO1 5380AE [0,0,0,0,1,0|2,0,0]=3 94 B8R1.7 N=C(N)C1=CC=CS1 1905AJ [0,0,0,0,1,0|2,0,0]=3 95 B8R1.7 N=C(N)N1C=CC=N1 5372AB [0,0,0,0,1,0|2,0,0]=3 96 B8R1.7 NC(=O)C1=COC=N1 Z4456 [0,0,0,0,1,0|1,0,0]=2 97 B8R1.7 NC(=S)C1=CNN=N1 9848AH [0,0,0,0,1,0|2,1,0]=4 98 B8R1.7 NC(=S)C1=NOC=N1 2425AE [0,0,0,0,1,0|2,1,0]=4 99 B8R1.7 O=C(O)C1=CSC=N1 2475AE [0,0,0,0,1,0|2,0,0]=3 100 B8R1.7 O=C(O)C1=NN=CS1 6775AB [0,0,0,0,1,0|3,0,0]=4 101 B8R1.7 O=C(O)N1C=CC=C1 Z3516 [0,0,0,0,1,0|2,0,0]=3 102 B8R1.7 O=C([O-])C1=CC=CO1 7350AF [0,0,0,0,1,0|2,0,0]=3 103 B8R1.7 O=C([O-])C1=CC=CO1 7351AF [0,0,0,0,1,0|2,0,0]=3 104 B8R1.7 O=[N+]([O-])C1=CNC=C1 8828AB [0,0,0,0,1,0|2,0,1]=4 105 B10R1.18 CC(=O)CC1=CN=CC=C1 4586AH [0,0,0,0,0,1|1,0,0]=2 106 B10R1.18 N=C(N)CC1=CN=CC=C1 4101AE [0,0,0,0,0,1|1,0,0]=2 107 B10R1.18 N=C(N)NC1=CC=NC=C1 4425AJ [0,0,0,0,0,1|3,0,0]=4 108 B10R1.18 O=C([O-])CC1=NC=CC=C1 0459AC [0,0,0,0,0,1|3,0,0]=4 109 B7R0.4 C\C=C\C=C\C(=O)Cl Y2082 [1,0,1,0,0,0|1,0,1]=4 110 B7R0.4 C\C=C\C=C\C(C)=O 5332AL [1,0,1,0,0,0|1,0,1]=4 111 B7R1.3 IC1=CC=NN=C1 Z2883 [2,0,0,0,0,0|2,0,0]=4 112 B7R1.3 IC1=NN=CC=C1 2308AJ [2,0,0,0,0,0|2,0,0]=4 113 B7R1.3 [O-]C1=CC=CN=C1 P818 [2,0,0,0,0,0|0,0,1]=3 114 B9R1.1 C=CC1=CN=C(N)N=C1 1697AA [1,1,0,0,0,0|2,0,0]=4 115 B9R1.1 CC1=CN=C(NN)C=N1 W3597 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.1 CC1=NC=C(CN)C=N1 6982AA [1,1,0,0,0,0|1,0,1]=4 117 B9R1.1 CCC1=CN=C(Cl)C=C1 1065AA [1,1,0,0,0,0|1,0,1]=4 118 B9R1.1 CSC1=CN=C(N)C=C1 2168AC [1,1,0,0,0,0|2,0,0]=4 119 B9R1.1 FC1=NC=C(CBr)C=C1 Y6935 [1,1,0,0,0,0|1,0,1]=4 120 B9R1.1 NC1=CC=C(C=O)C=C1 L628 [1,1,0,0,0,0|1,0,0]=3 121 B9R1.1 NCC1=CC=C(Br)N=C1 4185AA [1,1,0,0,0,0|0,0,1]=3 122 B9R1.1 NCC1=CN=C(Cl)C=C1 8881AH [1,1,0,0,0,0|0,0,1]=3 123 B9R1.1 NCC1=CN=C(N)C=C1 4936AD [1,1,0,0,0,0|0,0,1]=3 124 B9R1.1 NCC1=CN=C(N)N=C1 0341AC [1,1,0,0,0,0|1,0,1]=4 125 B9R1.1 O=CC1=CC=[N+]([O-])C=C1 0867AQ [1,1,0,0,0,0|2,0,0]=4 126 B9R1.2 NC1=NC=CC(C=O)=C1 4853AC [1,1,0,0,0,0|2,0,0]=4 127 B9R1.2 NCC1=CC(O)=CN=C1 Y1979 [1,1,0,0,0,0|0,0,1]=3 128 B9R1.2 NCC1=NC(Cl)=CN=C1 1377AA [1,1,0,0,0,0|1,0,1]=4 129 B9R1.2 O=CC1=NC=CC(F)=C1 1362AA [1,1,0,0,0,0|2,0,0]=4 130 B9R1.8 CNCC1=CN=CC=C1 7435AH [1,1,0,0,0,0|0,0,1]=3 131 B9R1.8 ClCCC1=CN=CC=C1 5261AB [1,1,0,0,0,0|1,0,1]=4 132 B9R1.8 NCCC1=CN=CN=C1 3332AC [1,1,0,0,0,0|1,0,1]=4 133 B9R1.8 NNCC1=NC=CN=C1 1808AL [1,1,0,0,0,0|1,0,1]=4 134 B9R1.8 NNCC1=NC=CN=C1 5211AA [1,1,0,0,0,0|1,0,1]=4 135 B9R1.8 O=CCC1=CC=CN=C1 5877AB [1,1,0,0,0,0|0,0,0]=2 136 B9R1.8 O\N=C/C1=CC=CC=C1 9354AB [1,1,0,0,0,0|1,0,1]=4 137 B9R1.15 C=CC1=CC=CNC1=O 5186AB [1,1,0,0,0,0|1,0,1]=4 138 B9R1.15 CC1=NC=CC=C1CBr X4783 [1,1,0,0,0,0|1,0,1]=4 139 B9R1.15 CC1=NC=CC=C1CO X2884 [1,1,0,0,0,0|0,0,2]=4 140 B9R1.15 NCC1=C(F)N=CC=C1 3392AC [1,1,0,0,0,0|0,0,1]=3 141 B9R1.15 NCC1=CC=CN=C1N 4362AD [1,1,0,0,0,0|0,0,1]=3 142 B9R1.15 NCC1=CC=CNC1=O Y1980 [1,1,0,0,0,0|0,0,2]=4 143 B9R1.15 NCC1=NC=CN=C1N 5683AJ [1,1,0,0,0,0|1,0,1]=4 144 B9R1.15 O=CC1=C(F)C=CN=C1 Y1524 [1,1,0,0,0,0|0,0,0]=2 145 B9R1.11 NNC(=O)C1=CON=C1 4174AJ [0,1,0,0,1,0|1,0,0]=3 146 B9R1.11 O=C(CBr)C1=CN=CS1 1590AJ [0,1,0,0,1,0|2,0,0]=4 147 B9R1.11 O=C(CBr)C1=CSC=N1 1595AJ [0,1,0,0,1,0|2,0,0]=4 148 B9R1.11 O=C(CCl)C1=CC=CS1 9376AD [0,1,0,0,1,0|2,0,0]=4 149 B9R1.35 CC(=O)C1=CC(C)=NO1 W6915 [0,1,0,0,1,0|2,0,0]=4 150 B9R1.35 CC(=O)C1=CNC(C)=N1 2255AC [0,1,0,0,1,0|2,0,0]=4 151 B9R1.35 CC(=O)C1=NC(C)=CN1 2011AB [0,1,0,0,1,0|2,0,0]=4 152 B9R1.35 CC1=CC(C(=O)O)=CO1 Y8297 [0,1,0,0,1,0|2,0,0]=4 153 B9R1.35 CC1=CC=C(C(=N)N)O1 0812AF [0,1,0,0,1,0|2,0,0]=4 154 B9R1.35 CC1=CN=C(C(=O)[O-])S1 X8956 [0,1,0,0,1,0|2,0,0]=4 155 B9R1.35 CC1=NC(C(=N)N)=CS1 1819AJ [0,1,0,0,1,0|2,0,0]=4 156 B9R1.35 CC1=NC=C(C(N)=O)O1 3322AC [0,1,0,0,1,0|1,0,0]=3 157 B9R1.35 CC1=NN(C(N)=O)C=C1 7373AF [0,1,0,0,1,0|1,0,0]=3 158 B9R1.35 NC(=O)C1=CC=C(Br)N1 9191AA [0,1,0,0,1,0|0,0,1]=3 159 B9R1.35 NC1=CC=C(C(=O)O)N1 3677AC [0,1,0,0,1,0|1,0,1]=4 160 B9R1.35 NC1=CN=C(C(=O)O)S1 6796AB [0,1,0,0,1,0|2,0,0]=4 161 B9R1.35 NC1=CNC(C(=O)O)=C1 7817AA [0,1,0,0,1,0|1,0,1]=4 162 B9R1.35 NC1=NC(C(=O)O)=CN1 3411AC [0,1,0,0,1,0|2,0,0]=4 163 B9R1.35 O=C(O)C1=COC(F)=N1 X6415 [0,1,0,0,1,0|2,0,0]=4 164 B9R1.35 O=C(O)C1=CSC(F)=C1 2919AL [0,1,0,0,1,0|2,0,0]=4 165 B9R1.41 CC(=O)C1=C(C)N=CO1 1471AB [0,1,0,0,1,0|2,0,0]=4 166 B9R1.41 CC(=O)C1=C(O)C=CS1 U507 [0,1,0,0,1,0|2,0,0]=4 167 B9R1.41 CC1=C(C(N)=O)C=CS1 0775AQ [0,1,0,0,1,0|1,0,0]=3 168 B9R1.41 CC1=CON=C1C(=O)O 0980AB [0,1,0,0,1,0|2,0,0]=4 169 B9R1.41 CN1C=CN=C1C(N)=O 9911AH [0,1,0,0,1,0|1,0,0]=3 170 B9R1.41 CN1C=CN=C1C(N)=S 9910AH [0,1,0,0,1,0|1,1,0]=4 171 B9R1.41 CN1N=CC=C1C(N)=O 4636AF [0,1,0,0,1,0|1,0,0]=3 172 B9R1.41 NC(=O)C1=C(N)OC=N1 3175AB [0,1,0,0,1,0|1,0,0]=3 173 B9R1.41 NC(=O)C1=NON=C1N 3786AD [0,1,0,0,1,0|2,0,0]=4 174 B9R1.41 NC1=C(C(=O)O)OC=C1 5003AA [0,1,0,0,1,0|2,0,0]=4 175 B9R1.41 NC1=CSC=C1C(=O)O 2236AB [0,1,0,0,1,0|2,0,0]=4 176 B9R1.41 NC1=CSN=C1C(=O)O 8778AE [0,1,0,0,1,0|2,0,0]=4 177 B9R1.41 O=C(O)C1=C(Br)OC=C1 Z5486 [0,1,0,0,1,0|2,0,0]=4 178 B9R1.41 O=C(O)C1=C(Br)OC=N1 4555AA [0,1,0,0,1,0|2,0,0]=4 179 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 8525AL [0,1,0,0,0,1|2,0,0]=4 180 B11R1.36 NC(C(=O)O)C1=NC=CN=C1 7986AC [0,1,0,0,0,1|2,0,0]=4 181 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 8039AF [0,1,0,0,0,1|2,0,0]=4 182 B11R1.40 COC(=O)CC1=CC=CN=C1 7040AJ [0,1,0,0,0,1|1,0,0]=3 183 B11R1.40 COC(=O)CC1=CC=CN=N1 Y1677 [0,1,0,0,0,1|2,0,0]=4 184 B11R1.40 O=C(CCl)NC1=NC=CN=C1 9588AC [0,1,0,0,0,1|2,0,0]=4 185 B11R1.40 O=C(CF)CC1=CC=CC=C1 7647AA [0,1,0,0,0,1|2,0,0]=4 186 B11R1.40 O=C(CO)CC1=CC=CC=C1 6761AB [0,1,0,0,0,1|2,0,0]=4 187 B11R1.86 CC(=O)CC1=CC=CC=C1O 5670AA [0,1,0,0,0,1|2,0,0]=4 188 B11R1.86 NC1=C(CC(=O)O)C=NC=C1 4341AA [0,1,0,0,0,1|1,0,0]=3 189 B11R1.157 CC(=O)CC1=CC=CC(C)=C1 9812AA [0,1,0,0,0,1|2,0,0]=4 190 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 C941 [0,1,0,0,0,1|2,0,0]=4 191 B11R1.157 O=C(O)CC1=CC(S)=CC=C1 9631AB [0,1,0,0,0,1|2,0,0]=4 192 B11R1.3 C=CC1=CC=C([N+](=O)[O-])C=N1 3428AA [0,2,0,0,0,0|2,0,0]=4 193 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 3772AC [0,2,0,0,0,0|2,0,0]=4 194 B11R1.3 CNC1=NN=C(C(=O)O)C=C1 6414AJ [0,2,0,0,0,0|2,0,0]=4 195 B11R1.3 COC1=CN=C(C(C)=O)C=N1 Z1655 [0,2,0,0,0,0|2,0,0]=4 196 B11R1.3 N#CC1=CC=C(C(=N)N)C=C1 6152AJ [0,2,0,0,0,0|2,0,0]=4 197 B11R1.3 N#CC1=NC=C(C(=O)O)C=N1 5532AJ [0,2,0,0,0,0|2,0,0]=4 198 B11R1.3 N=C(N)C1=CC=C(C=O)C=C1 9688AB [0,2,0,0,0,0|2,0,0]=4 199 B11R1.3 NC(=O)C1=NC=C(CO)N=C1 5660AB [0,2,0,0,0,0|1,0,0]=3 200 B11R1.3 NCC1=CN=C(C(N)=O)C=C1 Y1977 [0,2,0,0,0,0|2,0,0]=4 201 B11R1.3 O=C(O)C1=CC=C(CBr)N=C1 3341AJ [0,2,0,0,0,0|1,0,0]=3 202 B11R1.19 CC(C)(N)C1=CC=C(Cl)N=C1 7912AA [0,2,0,0,0,0|1,0,1]=4 203 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 X7016 [0,2,0,0,0,0|2,0,0]=4 204 B11R1.21 CC(=O)C1=CC(I)=C(O)C=C1 1108AQ [0,2,0,0,0,0|2,0,0]=4 205 B11R1.21 CC(=O)C1=CC(N)=C(Br)C=C1 1073AQ [0,2,0,0,0,0|2,0,0]=4 206 B11R1.21 CC(=O)C1=CC(O)=C(N)C=C1 7979AB [0,2,0,0,0,0|2,0,0]=4 207 B11R1.21 CC(=O)C1=CC=C(N)C(Br)=C1 9448AH [0,2,0,0,0,0|2,0,0]=4 208 B11R1.21 CC(=O)C1=CC=C(O)C(N)=C1 7803AB [0,2,0,0,0,0|2,0,0]=4 209 B11R1.21 CC1=CC(C(=N)N)=CC=C1Br 2704AJ [0,2,0,0,0,0|2,0,0]=4 210 B11R1.21 CC1=CC(C(=O)O)=CN=C1N 8550AA [0,2,0,0,0,0|1,0,0]=3 211 B11R1.21 CC1=CC(C(N)=O)=CC=C1N X8784 [0,2,0,0,0,0|1,0,0]=3 212 B11R1.21 CC1=CC=C(C(=N)N)C=C1C 2090AJ [0,2,0,0,0,0|2,0,0]=4 213 B11R1.21 CC1=NC=C(C(=O)O)C=C1O 1540AC [0,2,0,0,0,0|1,0,0]=3 214 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1N B344 [0,2,0,0,0,0|2,0,0]=4 215 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)C=C1 3194AB [0,2,0,0,0,0|1,0,1]=4 216 B11R1.21 N=C(N)C1=CC(F)=C(Br)C=C1 5581AH [0,2,0,0,0,0|2,0,0]=4 217 B11R1.21 N=C(N)C1=CC=C(F)C(Br)=C1 2189AJ [0,2,0,0,0,0|2,0,0]=4 218 B11R1.21 NC1=CC([N+](=O)[O-])=CN=C1O Y3209 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br 4575AC [0,2,0,0,0,0|2,0,0]=4 220 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 5025AJ [0,2,0,0,0,0|1,0,1]=4 221 B11R1.21 O=C([O-])C1=CC=C(O)C(O)=C1 5476AC [0,2,0,0,0,0|2,0,0]=4 222 B11R1.21 O=[N+]([O-])C1=CN=C(S)C(Cl)=C1 7250AE [0,2,0,0,0,0|2,0,0]=4 223 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 9510AH [0,2,0,0,0,0|1,0,0]=3 224 B11R1.22 NC1=CC=C(C(=O)CCl)C=C1 2322AB [0,2,0,0,0,0|2,0,0]=4 225 B11R1.166 CC(=O)C1=CN=C(C)C=C1N 5382AA [0,2,0,0,0,0|1,0,0]=3 226 B11R1.166 CC1=C(C(=N)N)C=CC(Br)=C1 2697AJ [0,2,0,0,0,0|2,0,0]=4 227 B11R1.166 CC1=CC(Br)=CC=C1C(=N)N 2698AJ [0,2,0,0,0,0|2,0,0]=4 228 B11R1.166 CC1=CC(I)=NC=C1[N+](=O)[O-] 9642AB [0,2,0,0,0,0|2,0,0]=4 229 B11R1.166 CC1=CC(N)=C(C(N)=O)N=C1 1002AD [0,2,0,0,0,0|2,0,0]=4 230 B11R1.166 CC1=CC=C(C(=N)N)C(C)=C1 1390AJ [0,2,0,0,0,0|2,0,0]=4 231 B11R1.166 CC1=NC(Br)=CC=C1C(=O)O Y3603 [0,2,0,0,0,0|1,0,0]=3 232 B11R1.166 CC1=NC(N)=C(C(N)=O)N=C1 6986AB [0,2,0,0,0,0|1,0,0]=3 233 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 2690AJ [0,2,0,0,0,0|2,0,0]=4 234 B11R1.166 NC(=O)C1=C(F)C=C(Cl)C=N1 3186AJ [0,2,0,0,0,0|2,0,0]=4 235 B11R1.166 NC(=O)C1=C(O)C=C(Cl)C=C1 4852AB [0,2,0,0,0,0|1,0,0]=3 236 B11R1.166 NC(=O)C1=CC=C(N)C=C1O 8918AB [0,2,0,0,0,0|1,0,0]=3 237 B11R1.166 NC(=O)C1=CN=C(N)C=C1N 8802AA [0,2,0,0,0,0|0,0,0]=2 238 B11R1.166 NC1=C(C(=O)O)C=NC(S)=N1 1291AF [0,2,0,0,0,0|2,0,0]=4 239 B11R1.166 NC1=CC(F)=CC=C1C(=O)O 5527AA [0,2,0,0,0,0|2,0,0]=4 240 B11R1.166 NC1=CC(N)=C(C(=O)O)C=N1 1767AC [0,2,0,0,0,0|1,0,0]=3 241 B11R1.166 NC1=NC(N)=C(C(=O)O)C=C1 1410AJ [0,2,0,0,0,0|1,0,0]=3 242 B11R1.166 NC1=NC=C(C(=O)O)C(N)=N1 Z2443 [0,2,0,0,0,0|2,0,0]=4 243 B11R1.166 NC1=NC=C([N+](=O)[O-])C(Br)=C1 2981AC [0,2,0,0,0,0|2,0,0]=4 244 B11R1.166 O=C(Cl)C1=CC=C(Cl)N=C1Cl Z0711 [0,2,0,0,0,0|1,0,0]=3 245 B11R1.166 O=C(O)C1=C(F)C=C(Br)N=C1 1363AA [0,2,0,0,0,0|1,0,0]=3 246 B11R1.166 O=C(O)C1=C(I)C=C(Cl)N=C1 Y3821 [0,2,0,0,0,0|1,0,0]=3 247 B11R1.166 O=C(O)C1=CN=C(O)C=C1Br W8133 [0,2,0,0,0,0|1,0,0]=3 248 B11R1.166 O=[N+]([O-])C1=CN=C(Cl)C=C1O X2976 [0,2,0,0,0,0|2,0,0]=4 249 B11R1.16 O=C(CCBr)C1=CC=CC=C1 Y1959 [0,2,0,0,0,0|2,0,0]=4 250 B11R1.16 O=C(\C=C\Cl)C1=CC=CC=C1 0138AQ [0,2,0,0,0,0|2,0,0]=4 251 B11R1.23 CNC(=O)C1=NC=CC(O)=C1 2837AJ [0,2,0,0,0,0|2,0,0]=4 252 B11R1.23 NNC(=O)C1=NC(N)=CC=C1 Z3024 [0,2,0,0,0,0|2,0,0]=4 253 B11R1.222 CNC(=O)C1=CC=CC=C1S 0033AP [0,2,0,0,0,0|1,0,0]=3 254 B11R1.222 COC(=O)C1=CN=CC=C1C 6297AA [0,2,0,0,0,0|1,0,0]=3 255 B11R1.222 NC1=CC=CC=C1C(=O)CCl 3303AL [0,2,0,0,0,0|2,0,0]=4 256 B11R1.222 NCC(=O)C1=CC=CC=C1F L160 [0,2,0,0,0,0|1,0,0]=3 257 B11R1.222 N\C(=N/O)C1=C(Cl)N=CC=C1 6396AB [0,2,0,0,0,0|0,0,1]=3 258 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 4897AJ [0,2,0,0,0,0|2,0,0]=4 259 B11R1.222 O=C(NO)C1=CC=NC=C1O 2371AF [0,2,0,0,0,0|2,0,0]=4 260 B11R1.87 NC1=C(S(N)(=O)=O)C=NC=C1 Y5101 [0,2,0,0,0,0|1,0,0]=3 261 B11R1.87 O=S(=O)(Cl)C1=C(Br)N=CC=C1 1372AA [0,2,0,0,0,0|2,0,0]=4 262 B11R1.155 O=S(=O)(Cl)C1=CC(F)=CN=C1 X6773 [0,2,0,0,0,0|2,0,0]=4 263 B11R1.53 C=CC1=NC=CC=C1[N+](=O)[O-] 7526AA [0,2,0,0,0,0|2,0,0]=4 264 B11R1.53 CCC1=CC=CC=C1C(N)=S 1710AJ [0,2,0,0,0,0|1,1,0]=4 265 B11R1.53 CCC1=NC=CC=C1[N+](=O)[O-] 1702AJ [0,2,0,0,0,0|2,0,0]=4 266 B11R1.53 COC1=C([N+](=O)[O-])C=CC=N1 0217AP [0,2,0,0,0,0|2,0,0]=4 267 B11R1.53 N#CC1=C(C(=O)O)C=NC=C1 Z0867 [0,2,0,0,0,0|1,0,0]=3 268 B11R1.53 N#CC1=CC=CC=C1C(=N)N 5531AJ [0,2,0,0,0,0|2,0,0]=4 269 B11R1.53 NC(=O)C1=CC=CC=C1CBr Z5233 [0,2,0,0,0,0|1,0,0]=3 270 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 0662AD [0,2,0,0,0,0|1,0,0]=3 271 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 1236AJ [0,2,0,0,0,0|1,0,0]=3 272 B11R1.53 NCC1=CC=CC=C1C(=O)O 7123AC [0,2,0,0,0,0|2,0,0]=4 273 B11R1.53 O=C(O)C1=C(CO)N=CC=C1 2599AC [0,2,0,0,0,0|1,0,0]=3 274 B11R1.156 CC1=C(C(=N)N)C(Cl)=CC=C1 1669AJ [0,2,0,0,0,0|2,0,0]=4 275 B11R1.156 CC1=C([N+](=O)[O-])C(I)=NC=C1 1742AJ [0,2,0,0,0,0|2,0,0]=4 276 B11R1.156 N=C(N)C1=C(F)C=CC=C1Cl 5026AH [0,2,0,0,0,0|2,0,0]=4 277 B11R1.156 NC(=O)C1=C(N)N=CC=C1N 6631AA [0,2,0,0,0,0|0,0,0]=2 278 B11R1.156 NC(=O)C1=[N+]([O-])C=CN=C1N 7916AB [0,2,0,0,0,0|1,0,0]=3 279 B11R1.156 NC1=CC=CC(O)=C1C(=O)O W7041 [0,2,0,0,0,0|2,0,0]=4 280 B11R1.156 NC1=NC=CC(N)=C1C(=O)O 6770AA [0,2,0,0,0,0|1,0,0]=3 281 B11R1.156 O=C(Cl)C1=C(Cl)C=CN=C1Cl 0732AQ [0,2,0,0,0,0|1,0,0]=3 282 B11R1.156 O=C(O)C1=C(Cl)N=CC=C1Br Y3602 [0,2,0,0,0,0|1,0,0]=3 283 B11R1.156 O=C(O)C1=C(O)N=CC=C1Cl Z4929 [0,2,0,0,0,0|1,0,0]=3 284 B11R1.159 CC(=O)C1=CC=CC(N)=C1C 0725AB [0,2,0,0,0,0|2,0,0]=4 285 B11R1.159 N=C(N)C1=CC=CC(Cl)=C1Cl 1342AJ [0,2,0,0,0,0|2,0,0]=4 286 B11R1.159 NC(=O)C1=C(Cl)C(Cl)=NC=C1 Y3789 [0,2,0,0,0,0|2,0,0]=4 287 B11R1.159 NC1=CN=CC(C(=O)O)=C1O 3077AJ [0,2,0,0,0,0|1,0,0]=3 288 B11R1.159 O=C(O)C1=CC=CC(O)=C1Br 5445AC [0,2,0,0,0,0|2,0,0]=4 289 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O X8744 [0,2,0,0,0,0|1,0,0]=3 290 B11R1.167 CC(=O)C1=CC(N)=CC=C1Br 7482AA [0,2,0,0,0,0|2,0,0]=4 291 B11R1.167 CC(=O)C1=CC(O)=CC=C1N 3283AB [0,2,0,0,0,0|2,0,0]=4 292 B11R1.167 CC1=C(C(=O)O)C=C(I)C=N1 0904AQ [0,2,0,0,0,0|1,0,0]=3 293 B11R1.167 CC1=C(C(N)=O)C=[N+](C)C=C1 2020AA [0,2,0,0,0,0|0,0,1]=3 294 B11R1.167 CC1=CC(C(=O)O)=C(Br)N=C1 0132AC [0,2,0,0,0,0|1,0,0]=3 295 B11R1.167 CC1=CN=C(Cl)C(C(N)=O)=C1 9971AB [0,2,0,0,0,0|0,0,0]=2 296 B11R1.167 CC1=CNC(=O)C(C(N)=O)=C1 3304AC [0,2,0,0,0,0|0,0,1]=3 297 B11R1.167 NC(=O)C1=C(O)N=NC(Cl)=C1 4064AB [0,2,0,0,0,0|1,0,0]=3 298 B11R1.167 NC(=O)C1=CC(F)=CN=C1Cl 1698AC [0,2,0,0,0,0|0,0,0]=2 299 B11R1.167 NC(=O)C1=NC(Cl)=CC=C1Br 5390AA [0,2,0,0,0,0|2,0,0]=4 300 B11R1.167 NC(=O)C1=NC(I)=CN=C1N 4607AA [0,2,0,0,0,0|1,0,0]=3 301 B11R1.167 NC1=CNC(=O)C(C(=O)O)=C1 Y3265 [0,2,0,0,0,0|1,0,1]=4 302 B11R1.167 NC1=NC=C(I)N=C1C(=O)O 3890AC [0,2,0,0,0,0|2,0,0]=4 303 B11R1.167 O=C(O)C1=CC(Br)=CC=C1S X6084 [0,2,0,0,0,0|2,0,0]=4 304 B11R1.266 COC1=CN=CC(C(N)=S)=N1 Y5516 [0,2,0,0,0,0|1,1,0]=4 305 B11R1.266 NC(=O)C1=NC(CO)=CC=C1 5693AB [0,2,0,0,0,0|2,0,0]=4 306 B11R1.266 NCC1=CC(C(N)=O)=CN=C1 6456AB [0,2,0,0,0,0|0,0,0]=2 307 B9R1.13 NC(=O)CC1=CSC=N1 4708AE [0,0,1,1,0,0|1,0,1]=4 308 B9R1.69 CC1=CC=C(Cl)NC1=O 5043AA [0,0,1,1,0,0|1,0,1]=4 309 B9R1.69 CC1=NC=C(I)C(=O)N1 2031AA [0,0,1,1,0,0|1,0,1]=4 310 B9R1.69 CC1=NC=C(N)C(=O)N1 7532AB [0,0,1,1,0,0|1,0,1]=4 311 B11R2.10 BrC1=CC2=NC=CC=C2S1 6065AC [0,0,0,1,0,1|2,0,0]=4 312 B11R2.10 BrC1=NC2=C(C=CC=N2)N1 6646AA [0,0,0,1,0,1|1,0,1]=4 313 B11R2.10 CC1=CC2=C(C=NC=C2)N1 0066AC [0,0,0,1,0,1|2,0,0]=4 314 B11R2.10 CC1=NC2=C(C=CN=C2)O1 2351AC [0,0,0,1,0,1|1,0,1]=4 315 B11R2.10 CC1=NC2=CC=CN=C2O1 Y4700 [0,0,0,1,0,1|1,0,1]=4 316 B11R2.10 ClC1=NC2=C(C=NC=C2)N1 9350AE [0,0,0,1,0,1|1,0,1]=4 317 B11R2.10 ClC1=NC2=C(N=CN=C2)N1 9212AA [0,0,0,1,0,1|2,0,0]=4 318 B11R2.10 ClC1=NC2=NC=CC=C2N1 Z2543 [0,0,0,1,0,1|1,0,1]=4 319 B11R2.10 IC1=NC2=C(C=CC=C2)N1 1741AJ [0,0,0,1,0,1|2,0,0]=4 320 B11R2.10 NC1=CC2=C(C=CC=C2)N1 X2016 [0,0,0,1,0,1|2,0,0]=4 321 B11R2.10 NC1=NC2=C(C=CC=N2)S1 6382AA [0,0,0,1,0,1|1,0,0]=3 322 B11R2.10 NC1=NC2=C(C=NC=C2)O1 5017AA [0,0,0,1,0,1|1,0,0]=3 323 B11R2.10 NC1=NC2=C(N=CN=C2)S1 5546AC [0,0,0,1,0,1|1,1,0]=4 324 B11R2.10 NC1=NC2=CN=CC=C2N1 0486AC [0,0,0,1,0,1|1,0,0]=3 325 B11R2.10 NC1=NC2=CN=CC=C2S1 4884AC [0,0,0,1,0,1|0,1,0]=3 326 B11R2.10 O=C1C=C2C=CC=CN2N1 8937AB [0,0,0,1,0,1|2,0,0]=4 327 B11R2.10 O=C1CC2=C(C=NC=C2)N1 W6869 [0,0,0,1,0,1|1,0,0]=3 328 B11R2.10 O=C1NC2=C(N=CC=C2)O1 3093AA [0,0,0,1,0,1|1,0,0]=3 329 B11R2.10 O=C1NC2=C(N=CC=C2)S1 4991AC [0,0,0,1,0,1|1,0,0]=3 330 B11R2.10 SC1=NC2=C(C=NC=C2)S1 9765AC [0,0,0,1,0,1|0,1,1]=4 331 B11R2.1 BrC1=C2C=CC=NC2=NS1 5827AB [0,1,0,1,0,0|1,0,1]=4 332 B11R2.1 CC1=CNC2=C1C=NC=C2 1454AB [0,1,0,1,0,0|1,0,0]=3 333 B11R2.1 CC1=COC2=C1C=CC=N2 1819AA [0,1,0,1,0,0|1,0,1]=4 334 B11R2.1 ClC1=CNC2=CC=NC=C12 0045AA [0,1,0,1,0,0|1,0,0]=3 335 B11R2.1 ClC1=CNC2=NC=CC=C12 Y5559 [0,1,0,1,0,0|1,0,0]=3 336 B11R2.1 ClC1=CSC2=NC=CC=C12 7594AB [0,1,0,1,0,0|1,1,0]=4 337 B11R2.1 ClC1=NNC2=C1N=CC=N2 4979AA [0,1,0,1,0,0|2,0,0]=4 338 B11R2.1 IC1=CSC2=NC=CC=C12 7595AB [0,1,0,1,0,0|1,1,0]=4 339 B11R2.1 NC1=C2C=CC=CC2=NO1 0380AB [0,1,0,1,0,0|1,0,1]=4 340 B11R2.1 NC1=C2C=CC=NC2=NS1 2145AJ [0,1,0,1,0,0|0,1,0]=3 341 B11R2.1 NC1CCC2=NC=CC=C21 7640AB [0,1,0,1,0,0|1,0,1]=4 342 B11R2.1 O=C1CCC2=C1C=NC=C2 3226AJ [0,1,0,1,0,0|1,0,0]=3 343 B11R2.1 O=C1N=NC2=CC=CC=C12 8326AB [0,1,0,1,0,0|1,0,1]=4 344 B11R2.1 O=C1NNC2=C1C=NC=C2 3671AB [0,1,0,1,0,0|0,0,0]=2 345 B11R2.1 O=C1NNC2=CC=CN=C12 7206AB [0,1,0,1,0,0|2,0,0]=4 346 B11R2.1 OC1=NOC2=C1C=CC=N2 8623AA [0,1,0,1,0,0|0,0,2]=4 347 B11R2.468 O=C1CC2=CC=CC(F)=C12 Y5936 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.1 C=CC1=NC=CS1 Y1855 [1,0,0,0,1,0|2,0,0]=4 349 B7R1.1 NCC1=CC=NO1 5355AB [1,0,0,0,1,0|1,0,1]=4 350 B7R1.1 NCC1=CNN=C1 3378AA [1,0,0,0,1,0|1,0,1]=4 351 B7R1.1 NCC1=CON=C1 3103AA [1,0,0,0,1,0|1,0,1]=4 352 B7R1.1 NCC1=CON=C1 8976AA [1,0,0,0,1,0|1,0,1]=4 353 B7R1.1 NCC1=NC=CS1 Y9458 [1,0,0,0,1,0|1,0,1]=4 354 B7R1.1 NNC1=NC=CN1 8326AH [1,0,0,0,1,0|2,0,0]=4 355 B7R1.1 O=CC1=CNN=N1 Z5678 [1,0,0,0,1,0|2,0,0]=4 356 B7R1.1 O=CC1=NN=CO1 X2008 [1,0,0,0,1,0|2,0,0]=4 357 B7R1.1 O=CN1C=CN=C1 4713AH [1,0,0,0,1,0|1,0,0]=3 358 B11R1.91 CC(=O)SCC1=CC=CN=C1 Z2639 [0,0,0,0,0,2|1,0,0]=3 359 B11R1.91 CC(=O)\N=N\C1=CC=CC=C1 3867AD [0,0,0,0,0,2|2,0,0]=4 360 B11R1.91 NC(=O)CCC1=CC=CN=C1 5646AJ [0,0,0,0,0,2|0,0,0]=2 361 B11R1.91 NC(=O)CCC1=CC=NC=C1 5669AJ [0,0,0,0,0,2|2,0,0]=4