0 B8R1.1 C#CC1=NC(C)=CS1 E42681 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 CC1=CC(C=O)=CS1 M29797 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.1 CC1=CC(CN)=NO1 M15781 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CC1=CC=C(C#N)N1 M32172 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.1 CC1=CC=C(C#N)S1 M12843 [0,0,0,0,0,0|1,1,1]=3 5 B8R1.1 CC1=CC=C(C=O)N1 M43134 [0,0,0,0,0,0|1,0,2]=3 6 B8R1.1 CC1=CC=C(C=O)S1 M39272 [0,0,0,0,0,0|0,1,2]=3 7 B8R1.1 CC1=CC=C(CN)O1 M37131 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.1 CC1=CC=C(CO)O1 M43304 [0,0,0,0,0,0|0,0,0]=0 9 B8R1.1 CC1=CN=C(C=O)S1 M19270 [0,0,0,0,0,0|1,1,2]=4 10 B8R1.1 CC1=CN=C(CO)S1 M41173 [0,0,0,0,0,0|1,1,0]=2 11 B8R1.1 CC1=CNC(C#N)=N1 M40951 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.1 CC1=COC(C=O)=C1 M13538 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.1 CC1=COC(C=O)=N1 M12937 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.1 CC1=CSC(C#N)=N1 M8139 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.1 CC1=CSC(C=O)=C1 M42959 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.1 CC1=CSC(C=O)=N1 M14992 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.1 CC1=CSC(CN)=N1 M64512 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.1 CC1=NC(C=O)=CO1 M3278 [0,0,0,0,0,0|2,0,2]=4 19 B8R1.1 CC1=NC(C=O)=CS1 F2075 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.1 CC1=NC(CCl)=NO1 C40128 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.1 CC1=NC(CN)=CO1 M41196 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.1 CC1=NC(CN)=CO1 M41310 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.1 CC1=NC=C(C=O)S1 F2897 [0,0,0,0,0,0|1,1,2]=4 24 B8R1.1 CC1=NC=C(CBr)S1 B41111 [0,0,0,0,0,0|2,1,0]=3 25 B8R1.1 CC1=NC=C(CN)O1 M41197 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.1 CC1=NC=C(CO)O1 M37561 [0,0,0,0,0,0|1,0,0]=1 27 B8R1.1 CC1=NC=C(CO)S1 M1967 [0,0,0,0,0,0|1,1,0]=2 28 B8R1.1 CC1=NN=C(C=O)O1 M36607 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.1 CC1=NN=C(CCl)S1 M66901 [0,0,0,0,0,0|3,1,0]=4 30 B8R1.1 CC1=NOC(CN)=C1 M41364 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.1 CCC1=CC=C(C)S1 E43745 [0,0,0,0,0,0|1,1,0]=2 32 B8R1.1 CCC1=CN=C(C)N1 E41428 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.1 CCC1=CN=C(N)S1 E41203 [0,0,0,0,0,0|3,1,0]=4 34 B8R1.1 CCC1=CN=C(N)S1 E69753 [0,0,0,0,0,0|3,1,0]=4 35 B8R1.1 CCC1=NC(C)=CS1 E43395 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.1 CCC1=NN=C(N)O1 A12274 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.1 CC[N+]1=CN(C)C=C1 E38121 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.1 CC[N+]1=CN(C)C=C1 E41405 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.1 CC[N+]1=CN(C)C=C1 E43585 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.1 CC[N+]1=CN(C)C=C1 E46615 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.1 CN1C=C(CBr)C=N1 B27149 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.1 CN1C=C(CN)C=N1 M16591 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.1 CN1C=C(CN)C=N1 M17032 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.1 CN1C=C(CN)C=N1 M9443 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.1 CN1C=C(CO)C=N1 M10343 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.1 CN1C=CC(C#N)=N1 M12751 [0,0,0,0,0,0|3,0,1]=4 47 B8R1.1 CN1C=CC(C=O)=N1 M22764 [0,0,0,0,0,0|2,0,2]=4 48 B8R1.1 CN1C=CC(CCl)=N1 C25609 [0,0,0,0,0,0|3,0,0]=3 49 B8R1.1 CN1C=CC(CN)=N1 M9952 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.1 CN1C=CC(CO)=N1 M9953 [0,0,0,0,0,0|2,0,0]=2 51 B8R1.1 CN1C=NC(CCl)=C1 C21803 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.1 CN1C=NC(CCl)=N1 C40197 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.1 CN1C=NC(CN)=C1 A11226 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.1 CN1C=NC(CN)=C1 A11227 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.1 CN1C=NC(CN)=C1 A29740 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.1 CN1C=NC(CN)=N1 A14790 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.1 CN1C=NC(CN)=N1 M29766 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.1 CN1C=NC(CO)=C1 M12982 [0,0,0,0,0,0|3,0,0]=3 59 B8R1.1 CN1C=NC(CO)=N1 M14789 [0,0,0,0,0,0|3,0,0]=3 60 B8R1.1 ClCC1=CC=C(Cl)S1 C40699 [0,0,0,0,0,0|2,1,0]=3 61 B8R1.1 ClCC1=CN=C(Cl)S1 C2059 [0,0,0,0,0,0|3,1,0]=4 62 B8R1.1 ClCC1=CSC(Cl)=N1 C2721 [0,0,0,0,0,0|4,0,0]=4 63 B8R1.1 N#CC1=CC=C(Br)O1 B40544 [0,0,0,0,0,0|2,0,1]=3 64 B8R1.1 N#CC1=CC=C(Br)S1 B7699 [0,0,0,0,0,0|2,1,1]=4 65 B8R1.1 N#CC1=CC=C(Cl)S1 C7716 [0,0,0,0,0,0|2,1,1]=4 66 B8R1.1 N#CC1=CC=C(F)S1 C7719 [0,0,0,0,0,0|2,1,1]=4 67 B8R1.1 N#CC1=CC=C(I)S1 K40542 [0,0,0,0,0,0|2,1,1]=4 68 B8R1.1 N#CC1=CC=C(N)S1 A40782 [0,0,0,0,0,0|2,1,1]=4 69 B8R1.1 NC1=NC(CCl)=CS1 A2564 [0,0,0,0,0,0|4,0,0]=4 70 B8R1.1 NC1=NC(CO)=CS1 A40186 [0,0,0,0,0,0|3,0,0]=3 71 B8R1.1 NC1=NC=C(CO)S1 A40187 [0,0,0,0,0,0|2,1,0]=3 72 B8R1.1 NC1=NNC(CO)=C1 A14738 [0,0,0,0,0,0|4,0,0]=4 73 B8R1.1 NCC1=CC(Br)=CS1 B41112 [0,0,0,0,0,0|4,0,0]=4 74 B8R1.1 NCC1=CC=C(Br)S1 A12757 [0,0,0,0,0,0|2,1,0]=3 75 B8R1.1 NCC1=CC=C(Cl)S1 A12836 [0,0,0,0,0,0|2,1,0]=3 76 B8R1.1 NCC1=CC=C(Cl)S1 C27089 [0,0,0,0,0,0|2,1,0]=3 77 B8R1.1 NCC1=CC=C(F)S1 F8124 [0,0,0,0,0,0|2,1,0]=3 78 B8R1.1 NCC1=CN=C(Cl)S1 C40120 [0,0,0,0,0,0|3,1,0]=4 79 B8R1.1 NCC1=CSC(Br)=C1 B16484 [0,0,0,0,0,0|4,0,0]=4 80 B8R1.1 NCC1=CSC(Cl)=C1 C7665 [0,0,0,0,0,0|4,0,0]=4 81 B8R1.1 NCC1=NC=C(Br)S1 B10574 [0,0,0,0,0,0|3,1,0]=4 82 B8R1.1 NCC1=NC=C(Br)S1 B13057 [0,0,0,0,0,0|3,1,0]=4 83 B8R1.1 NCC1=NC=C(Cl)S1 C13932 [0,0,0,0,0,0|3,1,0]=4 84 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 A43437 [0,0,0,0,0,0|2,0,2]=4 85 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,0,0,0,0,0|3,0,1]=4 86 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,0,0,0,0,0|1,0,3]=4 87 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,0,0,0,0,0|1,0,3]=4 88 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,0,0,0,0,0|2,0,2]=4 89 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,0,0,0,0,0|2,0,2]=4 90 B8R1.1 O=CC1=CC=C(Br)N1 B67724 [0,0,0,0,0,0|2,0,2]=4 91 B8R1.1 O=CC1=CC=C(Br)O1 B67849 [0,0,0,0,0,0|1,0,2]=3 92 B8R1.1 O=CC1=CC=C(Br)S1 B10476 [0,0,0,0,0,0|1,1,2]=4 93 B8R1.1 O=CC1=CC=C(Cl)O1 C38278 [0,0,0,0,0,0|1,0,2]=3 94 B8R1.1 O=CC1=CC=C(Cl)S1 C7717 [0,0,0,0,0,0|1,1,2]=4 95 B8R1.1 OCC1=CC(Br)=CS1 B12759 [0,0,0,0,0,0|3,0,0]=3 96 B8R1.1 OCC1=CC(Br)=NO1 B2177 [0,0,0,0,0,0|4,0,0]=4 97 B8R1.1 OCC1=CC(Cl)=CS1 C7722 [0,0,0,0,0,0|3,0,0]=3 98 B8R1.1 OCC1=CC=C(Br)S1 B12756 [0,0,0,0,0,0|1,1,0]=2 99 B8R1.1 OCC1=CC=C(Br)S1 B41016 [0,0,0,0,0,0|1,1,0]=2 100 B8R1.1 OCC1=CC=C(Cl)S1 C1567 [0,0,0,0,0,0|1,1,0]=2 101 B8R1.1 OCC1=CC=C(F)S1 F8123 [0,0,0,0,0,0|1,1,0]=2 102 B8R1.1 OCC1=CN=C(Br)S1 B2127 [0,0,0,0,0,0|2,1,0]=3 103 B8R1.1 OCC1=CN=C(Cl)S1 C2061 [0,0,0,0,0,0|2,1,0]=3 104 B8R1.1 OCC1=COC(Br)=N1 B3572 [0,0,0,0,0,0|3,0,0]=3 105 B8R1.1 OCC1=CSC(Br)=N1 B2126 [0,0,0,0,0,0|3,0,0]=3 106 B8R1.1 OCC1=CSC(Cl)=C1 C7721 [0,0,0,0,0,0|3,0,0]=3 107 B8R1.1 OCC1=CSC(Cl)=N1 C2782 [0,0,0,0,0,0|3,0,0]=3 108 B8R1.1 OCC1=NC(Br)=CN1 B32450 [0,0,0,0,0,0|3,0,0]=3 109 B8R1.1 OCC1=NC(Br)=CS1 B10817 [0,0,0,0,0,0|3,0,0]=3 110 B8R1.1 OCC1=NC=C(Br)S1 B10575 [0,0,0,0,0,0|2,1,0]=3 111 B8R1.1 OCC1=NC=C(Cl)S1 C13054 [0,0,0,0,0,0|2,1,0]=3 112 B7R1.1 BrCC1=CSC=C1 B60823 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.1 BrCC1=NC=CN1 B40117 [1,0,0,0,0,0|3,0,0]=4 114 B7R1.1 C#CC1=CC=CS1 E42371 [1,0,0,0,0,0|1,1,1]=4 115 B7R1.1 C=CC1=CC=CS1 V38168 [1,0,0,0,0,0|1,1,1]=4 116 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,0,0,0|3,0,0]=4 117 B7R1.1 CCC1=NN=CO1 E37555 [1,0,0,0,0,0|3,0,0]=4 118 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,0,0,0|2,1,0]=4 119 B7R1.1 CSC1=NC=CO1 M40164 [1,0,0,0,0,0|3,0,0]=4 120 B7R1.1 ClCC1=CN=CS1 C32421 [1,0,0,0,0,0|2,1,0]=4 121 B7R1.1 ClCC1=CNC=N1 C2088 [1,0,0,0,0,0|3,0,0]=4 122 B7R1.1 ClCC1=CSC=N1 C2334 [1,0,0,0,0,0|3,0,0]=4 123 B7R1.1 ClCC1=NC=CO1 C40107 [1,0,0,0,0,0|2,0,0]=3 124 B7R1.1 N#CC1=CC=CN1 P0691 [1,0,0,0,0,0|2,0,1]=4 125 B7R1.1 N#CC1=CC=CO1 F40652 [1,0,0,0,0,0|1,0,1]=3 126 B7R1.1 N#CC1=CC=CS1 T40685 [1,0,0,0,0,0|1,1,1]=4 127 B7R1.1 N#CC1=CC=NO1 X67351 [1,0,0,0,0,0|2,0,1]=4 128 B7R1.1 NCC1=CC=CN1 P41359 [1,0,0,0,0,0|2,0,0]=3 129 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,0,0,0|1,1,0]=3 130 B7R1.1 NCC1=CC=NO1 K40323 [1,0,0,0,0,0|2,0,0]=3 131 B7R1.1 NCC1=CN=CN1 A69377 [1,0,0,0,0,0|3,0,0]=4 132 B7R1.1 NCC1=CN=CO1 X11178 [1,0,0,0,0,0|2,0,0]=3 133 B7R1.1 NCC1=CN=CO1 X17340 [1,0,0,0,0,0|2,0,0]=3 134 B7R1.1 NCC1=CN=CS1 T11225 [1,0,0,0,0,0|2,1,0]=4 135 B7R1.1 NCC1=CN=CS1 T37607 [1,0,0,0,0,0|2,1,0]=4 136 B7R1.1 NCC1=CN=CS1 T40190 [1,0,0,0,0,0|2,1,0]=4 137 B7R1.1 NCC1=CNC=C1 P26218 [1,0,0,0,0,0|3,0,0]=4 138 B7R1.1 NCC1=CNC=N1 K40332 [1,0,0,0,0,0|3,0,0]=4 139 B7R1.1 NCC1=COC=N1 A40322 [1,0,0,0,0,0|3,0,0]=4 140 B7R1.1 NCC1=COC=N1 O7924 [1,0,0,0,0,0|3,0,0]=4 141 B7R1.1 NCC1=COC=N1 X11296 [1,0,0,0,0,0|3,0,0]=4 142 B7R1.1 NCC1=CSC=C1 T41357 [1,0,0,0,0,0|3,0,0]=4 143 B7R1.1 NCC1=CSC=N1 T13924 [1,0,0,0,0,0|3,0,0]=4 144 B7R1.1 NCC1=CSC=N1 T29521 [1,0,0,0,0,0|3,0,0]=4 145 B7R1.1 NCC1=NC=CN1 A14237 [1,0,0,0,0,0|3,0,0]=4 146 B7R1.1 NCC1=NC=CN1 K40331 [1,0,0,0,0,0|3,0,0]=4 147 B7R1.1 NCC1=NC=CS1 A11223 [1,0,0,0,0,0|2,1,0]=4 148 B7R1.1 NCC1=NC=CS1 T11224 [1,0,0,0,0,0|2,1,0]=4 149 B7R1.1 NCC1=NC=CS1 T24256 [1,0,0,0,0,0|2,1,0]=4 150 B7R1.1 NCC1=NNC=C1 P9792 [1,0,0,0,0,0|3,0,0]=4 151 B7R1.1 NCC1=NOC=C1 I29536 [1,0,0,0,0,0|3,0,0]=4 152 B7R1.1 NCC1=NOC=C1 I7943 [1,0,0,0,0,0|3,0,0]=4 153 B7R1.1 NCC1=NSC=C1 I15218 [1,0,0,0,0,0|3,0,0]=4 154 B7R1.1 O=CC1=CC=CN1 P64891 [1,0,0,0,0,0|1,0,2]=4 155 B7R1.1 O=CC1=CC=CS1 T68614 [1,0,0,0,0,0|0,1,2]=4 156 B7R1.1 O=CC1=CC=NO1 K40060 [1,0,0,0,0,0|1,0,2]=4 157 B7R1.1 O=CC1=CN=CO1 X11928 [1,0,0,0,0,0|1,0,2]=4 158 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,0,0,0|0,1,0]=2 159 B7R1.1 OCC1=CC=NO1 K40159 [1,0,0,0,0,0|1,0,0]=2 160 B7R1.1 OCC1=CN=CN1 I14077 [1,0,0,0,0,0|2,0,0]=3 161 B7R1.1 OCC1=CN=CO1 X14033 [1,0,0,0,0,0|1,0,0]=2 162 B7R1.1 OCC1=CN=CS1 T2166 [1,0,0,0,0,0|1,1,0]=3 163 B7R1.1 OCC1=CNC=N1 H2067 [1,0,0,0,0,0|2,0,0]=3 164 B7R1.1 OCC1=CNN=C1 H1729 [1,0,0,0,0,0|3,0,0]=4 165 B7R1.1 OCC1=COC=C1 F41115 [1,0,0,0,0,0|2,0,0]=3 166 B7R1.1 OCC1=COC=N1 O7923 [1,0,0,0,0,0|2,0,0]=3 167 B7R1.1 OCC1=CON=C1 H14705 [1,0,0,0,0,0|3,0,0]=4 168 B7R1.1 OCC1=CSC=C1 T12827 [1,0,0,0,0,0|2,0,0]=3 169 B7R1.1 OCC1=CSC=N1 T2165 [1,0,0,0,0,0|2,0,0]=3 170 B7R1.1 OCC1=NC=CN1 I38716 [1,0,0,0,0,0|2,0,0]=3 171 B7R1.1 OCC1=NC=CO1 X14019 [1,0,0,0,0,0|1,0,0]=2 172 B7R1.1 OCC1=NC=CS1 H3028 [1,0,0,0,0,0|1,1,0]=3 173 B7R1.1 OCC1=NC=NN1 T39912 [1,0,0,0,0,0|3,0,0]=4 174 B7R1.1 OCC1=NNC=C1 H7696 [1,0,0,0,0,0|2,0,0]=3 175 B7R1.1 OCC1=NOC=C1 I11321 [1,0,0,0,0,0|2,0,0]=3 176 B7R1.1 OCC1CC=CC1 C11867 [1,0,0,0,0,0|1,0,2]=4 177 B7R1.1 OCN1C=CC=N1 P9800 [1,0,0,0,0,0|2,0,0]=3 178 B7R1.1 OCN1C=NC=N1 T39855 [1,0,0,0,0,0|3,0,0]=4 179 B7R1.2 CC1=CC(Br)=CS1 B40867 [1,0,0,0,0,0|3,0,0]=4 180 B7R1.2 CC1=CC(C)=NO1 D39182 [1,0,0,0,0,0|3,0,0]=4 181 B7R1.2 CC1=CC=C(Br)O1 B41015 [1,0,0,0,0,0|1,0,0]=2 182 B7R1.2 CC1=CC=C(Br)S1 B40865 [1,0,0,0,0,0|1,1,0]=3 183 B7R1.2 CC1=CC=C(C)S1 D43320 [1,0,0,0,0,0|0,1,0]=2 184 B7R1.2 CC1=CC=C(I)S1 K40868 [1,0,0,0,0,0|1,1,0]=3 185 B7R1.2 CC1=CN(C)N=C1 D69464 [1,0,0,0,0,0|3,0,0]=4 186 B7R1.2 CC1=CN=C(Br)S1 B40104 [1,0,0,0,0,0|2,1,0]=4 187 B7R1.2 CC1=CN=C(C)S1 D38993 [1,0,0,0,0,0|1,1,0]=3 188 B7R1.2 CC1=CN=C(Cl)S1 C1978 [1,0,0,0,0,0|2,1,0]=4 189 B7R1.2 CC1=CN=C(N)S1 A69715 [1,0,0,0,0,0|2,1,0]=4 190 B7R1.2 CC1=CN=C(N)S1 M69725 [1,0,0,0,0,0|2,1,0]=4 191 B7R1.2 CC1=CNC(Br)=N1 B40115 [1,0,0,0,0,0|3,0,0]=4 192 B7R1.2 CC1=CNC(C)=N1 D41187 [1,0,0,0,0,0|2,0,0]=3 193 B7R1.2 CC1=CNC(I)=N1 K40123 [1,0,0,0,0,0|3,0,0]=4 194 B7R1.2 CC1=COC(N)=N1 A2053 [1,0,0,0,0,0|3,0,0]=4 195 B7R1.2 CC1=CSC(Br)=N1 B2087 [1,0,0,0,0,0|3,0,0]=4 196 B7R1.2 CC1=CSC(C)=N1 D41174 [1,0,0,0,0,0|2,0,0]=3 197 B7R1.2 CC1=CSC(N)=C1 A0597 [1,0,0,0,0,0|3,0,0]=4 198 B7R1.2 CC1=NC(Br)=CN1 B2121 [1,0,0,0,0,0|3,0,0]=4 199 B7R1.2 CC1=NC(Br)=CS1 B2069 [1,0,0,0,0,0|3,0,0]=4 200 B7R1.2 CC1=NC=C(Br)S1 B5222 [1,0,0,0,0,0|2,1,0]=4 201 B7R1.2 CC1=NC=C(I)N1 K40124 [1,0,0,0,0,0|3,0,0]=4 202 B7R1.2 CC1=NC=C(N)S1 M40189 [1,0,0,0,0,0|2,1,0]=4 203 B7R1.2 CC1=NN(C)C=C1 D4115 [1,0,0,0,0,0|2,0,0]=3 204 B7R1.2 CC1=NN=C(Br)O1 B62443 [1,0,0,0,0,0|3,0,0]=4 205 B7R1.2 CC1=NN=C(C)N1 D0366 [1,0,0,0,0,0|3,0,0]=4 206 B7R1.2 CC1=NN=C(C)O1 D13454 [1,0,0,0,0,0|2,0,0]=3 207 B7R1.2 CC1=NN=C(N)O1 M5216 [1,0,0,0,0,0|3,0,0]=4 208 B7R1.2 CC1=NNC(=O)O1 M39837 [1,0,0,0,0,0|2,0,1]=4 209 B7R1.2 CC1=NNC(=S)O1 M62067 [1,0,0,0,0,0|2,1,0]=4 210 B7R1.2 CC1=NNC(O)=C1 M0907 [1,0,0,0,0,0|3,0,0]=4 211 B7R1.2 CN1C=C(O)C=N1 M38839 [1,0,0,0,0,0|3,0,0]=4 212 B7R1.2 CN1C=CC(=O)N1 M40182 [1,0,0,0,0,0|2,0,1]=4 213 B7R1.2 CN1C=CC(Br)=N1 B5930 [1,0,0,0,0,0|3,0,0]=4 214 B7R1.2 CN1C=CC(Cl)=N1 C64917 [1,0,0,0,0,0|3,0,0]=4 215 B7R1.2 CN1C=CC(I)=N1 M13226 [1,0,0,0,0,0|3,0,0]=4 216 B7R1.2 CN1C=CC(N)=N1 A3263 [1,0,0,0,0,0|3,0,0]=4 217 B7R1.2 CN1C=C[N+](C)=C1 D23670 [1,0,0,0,0,0|3,0,0]=4 218 B7R1.2 ClC1=CC=C(Br)S1 B39971 [1,0,0,0,0,0|2,1,0]=4 219 B7R1.2 ClC1=CC=C(I)S1 C39974 [1,0,0,0,0,0|2,1,0]=4 220 B7R1.2 NC1=NC(O)=CS1 A39839 [1,0,0,0,0,0|3,0,0]=4 221 B7R1.2 O=C1CC(O)=CO1 H1405 [1,0,0,0,0,0|3,0,0]=4 222 B7R1.2 OC1=CC=C(Br)S1 B40069 [1,0,0,0,0,0|1,1,0]=3 223 B7R1.2 OC1=NC(Br)=CS1 B39814 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.7 CC1=CC=C(CCO)O1 M43716 [0,1,0,0,0,0|0,0,0]=1 225 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [0,1,0,0,0,0|2,1,0]=4 226 B9R1.7 N#CCC1=CC=C(Br)S1 B61534 [0,1,0,0,0,0|2,1,0]=4 227 B9R1.7 NC1=NC=C(CCO)S1 A41202 [0,1,0,0,0,0|2,1,0]=4 228 B9R1.7 NC1=NN(CCO)C=C1 A41247 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.7 NNCC1=CC=C(Cl)S1 C13974 [0,1,0,0,0,0|2,1,0]=4 230 B9R1.21 COC1=CC=C(OC)S1 D43309 [0,1,0,0,0,0|2,1,0]=4 231 B9R1.21 N#CC1=CC=C(CBr)S1 B42220 [0,1,0,0,0,0|1,1,1]=4 232 B9R1.21 O=CC1=CC=C(C=O)O1 F65460 [0,1,0,0,0,0|0,0,3]=4 233 B9R1.21 O=CC1=CC=C(CO)N1 H43148 [0,1,0,0,0,0|1,0,1]=3 234 B9R1.21 OCC1=CC=C(CO)O1 F69147 [0,1,0,0,0,0|0,0,0]=1 235 B9R1.22 CC1=C(CCl)OC(=O)O1 C39175 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.22 CC1=C(CO)OC(=O)O1 H32111 [0,1,0,0,0,0|2,0,0]=3 237 B9R1.22 CC1=CC(C)=C(C=O)N1 D37937 [0,1,0,0,0,0|1,0,2]=4 238 B9R1.22 CC1=NC(Br)=C(CBr)S1 B40988 [0,1,0,0,0,0|2,1,0]=4 239 B9R1.22 CC1=NC(C)=C(CO)S1 D43393 [0,1,0,0,0,0|1,1,0]=3 240 B9R1.22 CC1=NN(C)C(CO)=C1 D3957 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.22 OCC1=C(Br)SC(Br)=N1 D2683 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.22 OCC1=C(Cl)N=C(Cl)S1 D40065 [0,1,0,0,0,0|2,1,0]=4 243 B9R1.23 CC1=CC(CCl)=NN1C C11366 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.23 CC1=CC(CN)=NN1C A11367 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.23 CC1=CC(CO)=NN1C H11365 [0,1,0,0,0,0|2,0,0]=3 246 B9R1.23 CCC1=NC(C)=C(Br)S1 B43293 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.23 CCN1C=C(N)C(C)=N1 A15545 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.23 CCN1C=C(N)C(C)=N1 E61343 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [0,1,0,0,0,0|0,1,2]=4 250 B9R1.35 CC1=CC(C(=O)O)=CN1 M43147 [0,1,0,0,0,0|2,0,1]=4 251 B9R1.35 CC1=CC(C(=O)O)=CS1 M5852 [0,1,0,0,0,0|2,0,1]=4 252 B9R1.35 CC1=CC=C(B(O)O)O1 M4380 [0,1,0,0,0,0|1,0,0]=2 253 B9R1.35 CC1=CC=C(B(O)O)S1 M4600 [0,1,0,0,0,0|1,1,0]=3 254 B9R1.35 CC1=CC=C(C(=O)O)N1 M36732 [0,1,0,0,0,0|1,0,1]=3 255 B9R1.35 CC1=CC=C(C(=O)O)O1 M38051 [0,1,0,0,0,0|0,0,1]=2 256 B9R1.35 CC1=CC=C(C(=O)O)S1 M42943 [0,1,0,0,0,0|0,1,1]=3 257 B9R1.35 CC1=CN=C(C(=O)O)S1 M40996 [0,1,0,0,0,0|1,1,1]=4 258 B9R1.35 CC1=CN=C(C(=O)[O-])O1 S27747 [0,1,0,0,0,0|1,0,2]=4 259 B9R1.35 CC1=CSC(B(O)O)=C1 M4580 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.35 CC1=CSC(C(=O)O)=N1 M14993 [0,1,0,0,0,0|2,0,1]=4 261 B9R1.35 CC1=CSC(C(C)C)=N1 P43783 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.35 CC1=NC(C(=O)O)=CN1 M19958 [0,1,0,0,0,0|2,0,1]=4 263 B9R1.35 CC1=NC(C(=O)O)=CO1 M62066 [0,1,0,0,0,0|2,0,1]=4 264 B9R1.35 CC1=NC(C(=O)O)=CO1 M7132 [0,1,0,0,0,0|2,0,1]=4 265 B9R1.35 CC1=NC(C(=O)O)=CS1 M3047 [0,1,0,0,0,0|2,0,1]=4 266 B9R1.35 CC1=NC=C(C(=O)O)O1 M9856 [0,1,0,0,0,0|1,0,1]=3 267 B9R1.35 CC1=NC=C(C(=O)O)S1 M5426 [0,1,0,0,0,0|1,1,1]=4 268 B9R1.35 CN1C=CC(C(=O)O)=C1 M43143 [0,1,0,0,0,0|2,0,1]=4 269 B9R1.35 CN1C=CC(C(=O)O)=N1 M9460 [0,1,0,0,0,0|2,0,1]=4 270 B9R1.35 C[C@H](O)C1=CN(C)C=N1 M0652 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.35 C[C@H](O)C1=CSC(Cl)=C1 C7957 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.35 O=C(O)C1=CC=C(Br)O1 B4712 [0,1,0,0,0,0|1,0,1]=3 273 B9R1.35 O=C(O)C1=CC=C(Br)S1 B12755 [0,1,0,0,0,0|1,1,1]=4 274 B9R1.35 O=C(O)C1=CC=C(Cl)O1 C40690 [0,1,0,0,0,0|1,0,1]=3 275 B9R1.35 O=C(O)C1=CC=C(Cl)S1 C10492 [0,1,0,0,0,0|1,1,1]=4 276 B9R1.35 O=C(O)C1=CC=C(F)S1 F7718 [0,1,0,0,0,0|1,1,1]=4 277 B9R1.35 O=C(O)C1=CC=C(I)S1 K40688 [0,1,0,0,0,0|1,1,1]=4 278 B9R1.35 O=C(O)C1=CN=C(Br)O1 B32073 [0,1,0,0,0,0|2,0,1]=4 279 B9R1.35 OB(O)C1=CC=C(Br)S1 B1958 [0,1,0,0,0,0|2,1,0]=4 280 B9R1.35 OB(O)C1=CC=C(Cl)S1 C2300 [0,1,0,0,0,0|2,1,0]=4 281 B9R1.132 CC1=CC=C(CN)N1C A13529 [0,1,0,0,0,0|2,0,0]=3 282 B9R1.132 CN1C(Cl)=CN=C1CO C41136 [0,1,0,0,0,0|3,0,0]=4 283 B7R0.2 CC(C)OC(=O)CO I38145 [0,0,1,0,0,0|1,0,2]=4 284 B7R0.2 CCC(=O)OC(C)=O A41227 [0,0,1,0,0,0|3,0,0]=4 285 B7R0.4 CCC\C=C\C(=O)O H41460 [0,0,1,0,0,0|2,0,1]=4 286 B7R0.4 CCOC=CC(=O)O E41226 [0,0,1,0,0,0|3,0,0]=4 287 B9R2.39 OC1CC2C=CC1C2 B43711 [0,0,0,1,0,0|1,0,2]=4 288 B9R1.1 BrCC1=CC=C(I)C=C1 B45171 [0,0,0,0,0,1|3,0,0]=4 289 B9R1.1 BrCC1=NC=C(Br)C=C1 B42521 [0,0,0,0,0,1|3,0,0]=4 290 B9R1.1 BrCC1=NN=C(Br)C=C1 B36805 [0,0,0,0,0,1|3,0,0]=4 291 B9R1.1 C#CC1=CC=C(C)C=C1 E68609 [0,0,0,0,0,1|2,0,1]=4 292 B9R1.1 C=CC1=CN=C(C)C=C1 M11564 [0,0,0,0,0,1|2,0,1]=4 293 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [0,0,0,0,0,1|1,0,2]=4 294 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [0,0,0,0,0,1|2,0,0]=3 295 B9R1.1 CC1=CC=C(CN)N=N1 M0158 [0,0,0,0,0,1|2,0,0]=3 296 B9R1.1 CC1=CC=C(CN)N=N1 M27037 [0,0,0,0,0,1|2,0,0]=3 297 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [0,0,0,0,0,1|1,0,0]=2 298 B9R1.1 CC1=CC=C(NN)C=C1 T68855 [0,0,0,0,0,1|3,0,0]=4 299 B9R1.1 CC1=CC=C(NN)N=N1 H23440 [0,0,0,0,0,1|3,0,0]=4 300 B9R1.1 CC1=CN=C(C#N)C=C1 C4792 [0,0,0,0,0,1|2,0,1]=4 301 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [0,0,0,0,0,1|1,0,2]=4 302 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [0,0,0,0,0,1|2,0,0]=3 303 B9R1.1 CC1=CN=C(CCl)C=N1 C11548 [0,0,0,0,0,1|3,0,0]=4 304 B9R1.1 CC1=CN=C(CCl)C=N1 C43004 [0,0,0,0,0,1|3,0,0]=4 305 B9R1.1 CC1=CN=C(CCl)N=C1 C14428 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.1 CC1=CN=C(CCl)N=C1 C8015 [0,0,0,0,0,1|3,0,0]=4 307 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [0,0,0,0,0,1|2,0,0]=3 308 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [0,0,0,0,0,1|2,0,0]=3 309 B9R1.1 CC1=CN=C(CN)C=N1 A3139 [0,0,0,0,0,1|3,0,0]=4 310 B9R1.1 CC1=CN=C(CN)N=C1 M11333 [0,0,0,0,0,1|3,0,0]=4 311 B9R1.1 CC1=CN=C(CO)C=N1 M43210 [0,0,0,0,0,1|2,0,0]=3 312 B9R1.1 CC1=CN=C(CO)N=C1 H11473 [0,0,0,0,0,1|2,0,0]=3 313 B9R1.1 CC1=CN=C(NN)C=C1 H63578 [0,0,0,0,0,1|3,0,0]=4 314 B9R1.1 CC1=NC=C(C#N)C=C1 M12704 [0,0,0,0,0,1|2,0,1]=4 315 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [0,0,0,0,0,1|1,0,2]=4 316 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [0,0,0,0,0,1|2,0,0]=3 317 B9R1.1 CC1=NC=C(CBr)C=N1 B42978 [0,0,0,0,0,1|3,0,0]=4 318 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [0,0,0,0,0,1|2,0,0]=3 319 B9R1.1 CC1=NC=C(CCl)C=N1 C19650 [0,0,0,0,0,1|3,0,0]=4 320 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [0,0,0,0,0,1|2,0,0]=3 321 B9R1.1 CC1=NC=C(CN)C=N1 A1723 [0,0,0,0,0,1|3,0,0]=4 322 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [0,0,0,0,0,1|1,0,0]=2 323 B9R1.1 CC1=NC=C(CO)C=N1 H12381 [0,0,0,0,0,1|2,0,0]=3 324 B9R1.1 CC1=NC=C(NN)C=C1 H14024 [0,0,0,0,0,1|3,0,0]=4 325 B9R1.1 CC1=NN=C(C#N)C=C1 M0552 [0,0,0,0,0,1|2,0,1]=4 326 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [0,0,0,0,0,1|3,0,0]=4 327 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [0,0,0,0,0,1|3,0,0]=4 328 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [0,0,0,0,0,1|3,0,0]=4 329 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [0,0,0,0,0,1|3,0,0]=4 330 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [0,0,0,0,0,1|3,0,0]=4 331 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [0,0,0,0,0,1|3,0,0]=4 332 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [0,0,0,0,0,1|3,0,0]=4 333 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [0,0,0,0,0,1|3,0,0]=4 334 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [0,0,0,0,0,1|3,0,0]=4 335 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [0,0,0,0,0,1|3,0,0]=4 336 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [0,0,0,0,0,1|3,0,0]=4 337 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [0,0,0,0,0,1|3,0,0]=4 338 B9R1.1 COC1=NC=C(C)C=C1 M67554 [0,0,0,0,0,1|3,0,0]=4 339 B9R1.1 COC1=NN=C(C)C=C1 M43203 [0,0,0,0,0,1|3,0,0]=4 340 B9R1.1 ClC1=CC=C(CBr)C=C1 B45158 [0,0,0,0,0,1|3,0,0]=4 341 B9R1.1 ClC1=CN=C(CBr)C=C1 B42537 [0,0,0,0,0,1|3,0,0]=4 342 B9R1.1 ClCC1=CC=C(Br)C=C1 B45160 [0,0,0,0,0,1|3,0,0]=4 343 B9R1.1 ClCC1=CN=C(Br)C=C1 B42528 [0,0,0,0,0,1|3,0,0]=4 344 B9R1.1 ClCC1=CN=C(Br)C=C1 B42539 [0,0,0,0,0,1|3,0,0]=4 345 B9R1.1 ClCC1=NC=C(Br)C=C1 B42540 [0,0,0,0,0,1|3,0,0]=4 346 B9R1.1 ClCC1=NC=C(Br)C=C1 B61533 [0,0,0,0,0,1|3,0,0]=4 347 B9R1.1 ClCC1=NC=C(Cl)C=C1 C14676 [0,0,0,0,0,1|3,0,0]=4 348 B9R1.1 ClCC1=NC=C(Cl)C=C1 C42565 [0,0,0,0,0,1|3,0,0]=4 349 B9R1.1 ClCC1=NN=C(Cl)C=C1 C14685 [0,0,0,0,0,1|3,0,0]=4 350 B9R1.1 ClCC1=NN=C(Cl)C=C1 C40731 [0,0,0,0,0,1|3,0,0]=4 351 B9R1.1 FC1=CC=C(C[Mg+])C=C1 F6777 [0,0,0,0,0,1|3,0,0]=4 352 B9R1.1 FC1=NC=C(CBr)C=C1 B39061 [0,0,0,0,0,1|3,0,0]=4 353 B9R1.1 FC1=NC=C(CBr)C=C1 B7888 [0,0,0,0,0,1|3,0,0]=4 354 B9R1.1 FC1=NC=C(CCl)C=C1 C7887 [0,0,0,0,0,1|3,0,0]=4 355 B9R1.1 NC1=CC=C(CO)C=C1 A36619 [0,0,0,0,0,1|2,0,0]=3 356 B9R1.1 NC1=NC=C(CO)C=C1 A0345 [0,0,0,0,0,1|2,0,0]=3 357 B9R1.1 NC1=NC=C(CO)C=N1 A11298 [0,0,0,0,0,1|3,0,0]=4 358 B9R1.1 NCC1=CC=C(Br)C=C1 B36612 [0,0,0,0,0,1|3,0,0]=4 359 B9R1.1 NCC1=CC=C(Br)C=C1 B46090 [0,0,0,0,0,1|3,0,0]=4 360 B9R1.1 NCC1=CC=C(Cl)C=C1 C46099 [0,0,0,0,0,1|3,0,0]=4 361 B9R1.1 NCC1=CC=C(I)C=C1 I36689 [0,0,0,0,0,1|3,0,0]=4 362 B9R1.1 NCC1=CC=C(I)C=C1 K46123 [0,0,0,0,0,1|3,0,0]=4 363 B9R1.1 NCC1=CC=C(N)C=C1 A46581 [0,0,0,0,0,1|3,0,0]=4 364 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [0,0,0,0,0,1|3,0,0]=4 365 B9R1.1 NCC1=CN=C(Br)C=C1 B42976 [0,0,0,0,0,1|3,0,0]=4 366 B9R1.1 NCC1=CN=C(Cl)C=C1 A0585 [0,0,0,0,0,1|3,0,0]=4 367 B9R1.1 NCC1=CN=C(F)C=C1 A13990 [0,0,0,0,0,1|3,0,0]=4 368 B9R1.1 NCC1=CNC(=O)C=C1 A1719 [0,0,0,0,0,1|3,0,0]=4 369 B9R1.1 NCC1=NC=C(Br)C=C1 B15775 [0,0,0,0,0,1|3,0,0]=4 370 B9R1.1 NCC1=NC=C(Br)C=C1 B42983 [0,0,0,0,0,1|3,0,0]=4 371 B9R1.1 NCC1=NC=C(Br)C=C1 B7021 [0,0,0,0,0,1|3,0,0]=4 372 B9R1.1 NCC1=NC=C(Cl)C=C1 C43002 [0,0,0,0,0,1|3,0,0]=4 373 B9R1.1 NCC1=NC=C(Cl)C=C1 C43003 [0,0,0,0,0,1|3,0,0]=4 374 B9R1.1 NCC1=NC=C(N)C=C1 A36932 [0,0,0,0,0,1|3,0,0]=4 375 B9R1.1 NCC1=NN=C(Cl)C=C1 C36937 [0,0,0,0,0,1|3,0,0]=4 376 B9R1.1 O=C1C=CC(CO)=CN1 H37111 [0,0,0,0,0,1|2,0,0]=3 377 B9R1.1 OCC1=CC=C(Br)C=C1 B67585 [0,0,0,0,0,1|2,0,0]=3 378 B9R1.1 OCC1=CC=C(Cl)C=C1 C39406 [0,0,0,0,0,1|2,0,0]=3 379 B9R1.1 OCC1=CC=C(F)C=C1 F39409 [0,0,0,0,0,1|2,0,0]=3 380 B9R1.1 OCC1=CC=C(I)C=C1 I36662 [0,0,0,0,0,1|2,0,0]=3 381 B9R1.1 OCC1=CN=C(Br)C=C1 B12392 [0,0,0,0,0,1|2,0,0]=3 382 B9R1.1 OCC1=CN=C(Cl)C=C1 C9389 [0,0,0,0,0,1|2,0,0]=3 383 B9R1.1 OCC1=CN=C(Cl)C=N1 C1534 [0,0,0,0,0,1|3,0,0]=4 384 B9R1.1 OCC1=CN=C(Cl)N=C1 C1532 [0,0,0,0,0,1|3,0,0]=4 385 B9R1.1 OCC1=CN=C(F)C=C1 F13989 [0,0,0,0,0,1|2,0,0]=3 386 B9R1.1 OCC1=NC=C(Br)C=C1 B3203 [0,0,0,0,0,1|2,0,0]=3 387 B9R1.1 OCC1=NC=C(Br)C=N1 B14040 [0,0,0,0,0,1|3,0,0]=4 388 B9R1.1 OCC1=NC=C(Cl)C=C1 C22297 [0,0,0,0,0,1|2,0,0]=3 389 B9R1.1 OCC1=NC=C(Cl)C=N1 C14437 [0,0,0,0,0,1|3,0,0]=4 390 B9R1.1 OCC1=NC=C(F)C=C1 F0644 [0,0,0,0,0,1|2,0,0]=3 391 B9R1.1 OCC1=NC=C(F)C=N1 F11272 [0,0,0,0,0,1|3,0,0]=4 392 B9R1.1 OCC1=NN=C(Cl)C=C1 C14684 [0,0,0,0,0,1|2,0,0]=3 393 B9R1.2 BrCC1=CC(Br)=NC=C1 B36914 [0,0,0,0,0,1|3,0,0]=4 394 B9R1.2 BrCC1=CC(Br)=NC=C1 B42520 [0,0,0,0,0,1|3,0,0]=4 395 B9R1.2 BrCC1=CC=CC(Br)=C1 B39369 [0,0,0,0,0,1|3,0,0]=4 396 B9R1.2 BrCC1=CC=CC(Br)=N1 B42519 [0,0,0,0,0,1|3,0,0]=4 397 B9R1.2 BrCC1=CC=CC(I)=C1 B45170 [0,0,0,0,0,1|3,0,0]=4 398 B9R1.2 C#CC1=CC(C)=CC=C1 E51331 [0,0,0,0,0,1|2,0,1]=4 399 B9R1.2 C#CC1=NC(C)=CC=C1 E13754 [0,0,0,0,0,1|2,0,1]=4 400 B9R1.2 C=CC1=NC(C)=CC=C1 M16640 [0,0,0,0,0,1|2,0,1]=4 401 B9R1.2 CC1=CC(C#N)=CN=C1 M45202 [0,0,0,0,0,1|2,0,1]=4 402 B9R1.2 CC1=CC(C#N)=NC=C1 M3710 [0,0,0,0,0,1|2,0,1]=4 403 B9R1.2 CC1=CC(C=O)=CN=C1 M12908 [0,0,0,0,0,1|1,0,2]=4 404 B9R1.2 CC1=CC(C=O)=NC=C1 M3027 [0,0,0,0,0,1|1,0,2]=4 405 B9R1.2 CC1=CC(CCl)=CN=C1 C46109 [0,0,0,0,0,1|2,0,0]=3 406 B9R1.2 CC1=CC(CCl)=NC=C1 C46106 [0,0,0,0,0,1|2,0,0]=3 407 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [0,0,0,0,0,1|2,0,0]=3 408 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [0,0,0,0,0,1|2,0,0]=3 409 B9R1.2 CC1=CC(CO)=CN=C1 H10516 [0,0,0,0,0,1|1,0,0]=2 410 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [0,0,0,0,0,1|1,0,0]=2 411 B9R1.2 CC1=CC(CO)=NC=N1 M11486 [0,0,0,0,0,1|2,0,0]=3 412 B9R1.2 CC1=CC(CO)=NN=C1 M27710 [0,0,0,0,0,1|2,0,0]=3 413 B9R1.2 CC1=CC=CC(C#N)=N1 C7796 [0,0,0,0,0,1|2,0,1]=4 414 B9R1.2 CC1=CC=CC(C=O)=N1 M67935 [0,0,0,0,0,1|1,0,2]=4 415 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [0,0,0,0,0,1|2,0,0]=3 416 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [0,0,0,0,0,1|2,0,0]=3 417 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [0,0,0,0,0,1|2,0,0]=3 418 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [0,0,0,0,0,1|2,0,0]=3 419 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [0,0,0,0,0,1|2,0,0]=3 420 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [0,0,0,0,0,1|1,0,0]=2 421 B9R1.2 CC1=CC=CC(NN)=C1 M46458 [0,0,0,0,0,1|3,0,0]=4 422 B9R1.2 CC1=CC=CC(NN)=N1 H69493 [0,0,0,0,0,1|3,0,0]=4 423 B9R1.2 CC1=CC=NC(C#N)=N1 M14134 [0,0,0,0,0,1|2,0,1]=4 424 B9R1.2 CC1=CC=NC(C=O)=N1 M14427 [0,0,0,0,0,1|1,0,2]=4 425 B9R1.2 CC1=CC=NC(CCl)=N1 C11471 [0,0,0,0,0,1|2,0,0]=3 426 B9R1.2 CC1=CC=NC(CN)=N1 A14426 [0,0,0,0,0,1|2,0,0]=3 427 B9R1.2 CC1=CC=NC(CN)=N1 M29730 [0,0,0,0,0,1|2,0,0]=3 428 B9R1.2 CC1=CC=NC(CO)=N1 H11472 [0,0,0,0,0,1|1,0,0]=2 429 B9R1.2 CC1=CN=CC(C#N)=N1 M42469 [0,0,0,0,0,1|2,0,1]=4 430 B9R1.2 CC1=CN=CC(C=O)=N1 M16928 [0,0,0,0,0,1|1,0,2]=4 431 B9R1.2 CC1=CN=CC(CCl)=N1 C43005 [0,0,0,0,0,1|2,0,0]=3 432 B9R1.2 CC1=CN=NC(CN)=C1 A13026 [0,0,0,0,0,1|3,0,0]=4 433 B9R1.2 CC1=CN=NC(CN)=C1 M27097 [0,0,0,0,0,1|3,0,0]=4 434 B9R1.2 CC1=NC=CC(C=O)=C1 M36797 [0,0,0,0,0,1|1,0,2]=4 435 B9R1.2 CC1=NC=CC(C=O)=N1 M42771 [0,0,0,0,0,1|1,0,2]=4 436 B9R1.2 CC1=NC=CC(CBr)=C1 B37231 [0,0,0,0,0,1|2,0,0]=3 437 B9R1.2 CC1=NC=CC(CN)=C1 M46586 [0,0,0,0,0,1|2,0,0]=3 438 B9R1.2 CC1=NC=CC(CO)=C1 M4019 [0,0,0,0,0,1|1,0,0]=2 439 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [0,0,0,0,0,1|3,0,0]=4 440 B9R1.2 CCC1=CC(N)=NC=C1 E4696 [0,0,0,0,0,1|3,0,0]=4 441 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [0,0,0,0,0,1|3,0,0]=4 442 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [0,0,0,0,0,1|3,0,0]=4 443 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [0,0,0,0,0,1|3,0,0]=4 444 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [0,0,0,0,0,1|3,0,0]=4 445 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [0,0,0,0,0,1|3,0,0]=4 446 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [0,0,0,0,0,1|3,0,0]=4 447 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [0,0,0,0,0,1|3,0,0]=4 448 B9R1.2 CCC1=NC=CC(Cl)=N1 C29661 [0,0,0,0,0,1|3,0,0]=4 449 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [0,0,0,0,0,1|3,0,0]=4 450 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [0,0,0,0,0,1|3,0,0]=4 451 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [0,0,0,0,0,1|3,0,0]=4 452 B9R1.2 COC1=CC(C)=NC=C1 M22575 [0,0,0,0,0,1|3,0,0]=4 453 B9R1.2 COC1=NC(C)=CC=C1 M46380 [0,0,0,0,0,1|3,0,0]=4 454 B9R1.2 COC1=NC(C)=CC=N1 M43202 [0,0,0,0,0,1|3,0,0]=4 455 B9R1.2 COC1=NC(C)=NC=C1 M43205 [0,0,0,0,0,1|3,0,0]=4 456 B9R1.2 COC1=NC=CC(C)=C1 M46379 [0,0,0,0,0,1|3,0,0]=4 457 B9R1.2 ClC1=CC=CC(CBr)=C1 B39371 [0,0,0,0,0,1|3,0,0]=4 458 B9R1.2 ClC1=NC=CC(CBr)=C1 B42538 [0,0,0,0,0,1|3,0,0]=4 459 B9R1.2 ClCC1=CC(Br)=CN=C1 B15185 [0,0,0,0,0,1|3,0,0]=4 460 B9R1.2 ClCC1=CC(Cl)=CN=C1 C1777 [0,0,0,0,0,1|3,0,0]=4 461 B9R1.2 ClCC1=CC(Cl)=NC=C1 C12077 [0,0,0,0,0,1|3,0,0]=4 462 B9R1.2 ClCC1=CC=CC(Br)=C1 B45159 [0,0,0,0,0,1|3,0,0]=4 463 B9R1.2 ClCC1=CC=CC(Br)=N1 B27809 [0,0,0,0,0,1|3,0,0]=4 464 B9R1.2 ClCC1=CC=CC(Cl)=N1 C42562 [0,0,0,0,0,1|3,0,0]=4 465 B9R1.2 ClCC1=CC=CC(I)=C1 C45183 [0,0,0,0,0,1|3,0,0]=4 466 B9R1.2 ClCC1=NC=CC(Cl)=C1 C32395 [0,0,0,0,0,1|3,0,0]=4 467 B9R1.2 FC1=CC(CBr)=CN=C1 B37165 [0,0,0,0,0,1|3,0,0]=4 468 B9R1.2 FC1=CC(CCl)=CN=C1 C1821 [0,0,0,0,0,1|3,0,0]=4 469 B9R1.2 FC1=CC=CC(CBr)=C1 B45165 [0,0,0,0,0,1|3,0,0]=4 470 B9R1.2 FC1=CC=CC(CBr)=N1 B42547 [0,0,0,0,0,1|3,0,0]=4 471 B9R1.2 FC1=CC=CC(CCl)=N1 C42570 [0,0,0,0,0,1|3,0,0]=4 472 B9R1.2 NC1=CC(CO)=CN=C1 A43207 [0,0,0,0,0,1|2,0,0]=3 473 B9R1.2 NC1=CC(CO)=NC=C1 A15900 [0,0,0,0,0,1|2,0,0]=3 474 B9R1.2 NC1=CC=CC(CO)=C1 A37868 [0,0,0,0,0,1|2,0,0]=3 475 B9R1.2 NC1=CC=CC(CO)=N1 A43208 [0,0,0,0,0,1|2,0,0]=3 476 B9R1.2 NC1=NC=CC(CO)=C1 A10460 [0,0,0,0,0,1|2,0,0]=3 477 B9R1.2 NC1=NC=CC(CO)=N1 A38214 [0,0,0,0,0,1|2,0,0]=3 478 B9R1.2 NCC1=CC(=O)NC=C1 A1717 [0,0,0,0,0,1|3,0,0]=4 479 B9R1.2 NCC1=CC(Br)=NC=C1 B25759 [0,0,0,0,0,1|3,0,0]=4 480 B9R1.2 NCC1=CC(Cl)=NC=C1 A10467 [0,0,0,0,0,1|3,0,0]=4 481 B9R1.2 NCC1=CC(Cl)=NC=C1 C30000 [0,0,0,0,0,1|3,0,0]=4 482 B9R1.2 NCC1=CC(F)=CN=C1 F5829 [0,0,0,0,0,1|3,0,0]=4 483 B9R1.2 NCC1=CC(F)=NC=C1 F43572 [0,0,0,0,0,1|3,0,0]=4 484 B9R1.2 NCC1=CC(F)=NC=C1 F61414 [0,0,0,0,0,1|3,0,0]=4 485 B9R1.2 NCC1=CC(N)=NC=C1 A43343 [0,0,0,0,0,1|3,0,0]=4 486 B9R1.2 NCC1=CC=CC(Br)=C1 B46079 [0,0,0,0,0,1|3,0,0]=4 487 B9R1.2 NCC1=CC=CC(Br)=N1 B42981 [0,0,0,0,0,1|3,0,0]=4 488 B9R1.2 NCC1=CC=CC(Cl)=C1 C46098 [0,0,0,0,0,1|3,0,0]=4 489 B9R1.2 NCC1=CC=CC(Cl)=N1 C43006 [0,0,0,0,0,1|3,0,0]=4 490 B9R1.2 NCC1=CC=CC(F)=C1 F15968 [0,0,0,0,0,1|3,0,0]=4 491 B9R1.2 NCC1=CC=CC(I)=C1 K46122 [0,0,0,0,0,1|3,0,0]=4 492 B9R1.2 NCC1=CC=CC(N)=C1 A43599 [0,0,0,0,0,1|3,0,0]=4 493 B9R1.2 NCC1=CC=NC(Cl)=N1 C29619 [0,0,0,0,0,1|3,0,0]=4 494 B9R1.2 NCC1=CN=CC(Cl)=N1 C18971 [0,0,0,0,0,1|3,0,0]=4 495 B9R1.2 NCC1=NC=CC(Br)=C1 A1747 [0,0,0,0,0,1|3,0,0]=4 496 B9R1.2 NCC1=NC=CC(Br)=C1 B42982 [0,0,0,0,0,1|3,0,0]=4 497 B9R1.2 NCC1=NC=CC(Cl)=C1 A14281 [0,0,0,0,0,1|3,0,0]=4 498 B9R1.2 NCC1=NC=CC(F)=C1 F43529 [0,0,0,0,0,1|3,0,0]=4 499 B9R1.2 O=C1C=C(CO)C=CN1 H0460 [0,0,0,0,0,1|2,0,0]=3 500 B9R1.2 O=C1C=CC=C(CO)N1 H23237 [0,0,0,0,0,1|2,0,0]=3 501 B9R1.2 O=C1C=CN=C(CCl)N1 C40934 [0,0,0,0,0,1|3,0,0]=4 502 B9R1.2 OC1=CC=CC(CBr)=C1 B38962 [0,0,0,0,0,1|3,0,0]=4 503 B9R1.2 OCC1=CC(Br)=CN=C1 B12503 [0,0,0,0,0,1|2,0,0]=3 504 B9R1.2 OCC1=CC(Br)=NC=C1 B42880 [0,0,0,0,0,1|2,0,0]=3 505 B9R1.2 OCC1=CC(Cl)=CN=C1 C42912 [0,0,0,0,0,1|2,0,0]=3 506 B9R1.2 OCC1=CC(Cl)=NC=C1 C12733 [0,0,0,0,0,1|2,0,0]=3 507 B9R1.2 OCC1=CC(Cl)=NC=N1 C11372 [0,0,0,0,0,1|3,0,0]=4 508 B9R1.2 OCC1=CC(F)=CN=C1 F0704 [0,0,0,0,0,1|2,0,0]=3 509 B9R1.2 OCC1=CC(O)=CN=C1 H39124 [0,0,0,0,0,1|2,0,0]=3 510 B9R1.2 OCC1=CC=CC(Br)=N1 B12271 [0,0,0,0,0,1|2,0,0]=3 511 B9R1.2 OCC1=CC=CC(Cl)=C1 C39405 [0,0,0,0,0,1|2,0,0]=3 512 B9R1.2 OCC1=CC=CC(Cl)=N1 C38619 [0,0,0,0,0,1|2,0,0]=3 513 B9R1.2 OCC1=CC=CC(Cl)=N1 C42916 [0,0,0,0,0,1|2,0,0]=3 514 B9R1.2 OCC1=CC=CC(F)=C1 F39408 [0,0,0,0,0,1|2,0,0]=3 515 B9R1.2 OCC1=CC=CC(F)=N1 F67771 [0,0,0,0,0,1|2,0,0]=3 516 B9R1.2 OCC1=CC=CC(I)=C1 H61971 [0,0,0,0,0,1|2,0,0]=3 517 B9R1.2 OCC1=CN=CC(Br)=N1 B40916 [0,0,0,0,0,1|2,0,0]=3 518 B9R1.2 OCC1=CN=CC(Cl)=N1 C14609 [0,0,0,0,0,1|2,0,0]=3 519 B9R1.2 OCC1=NC=CC(Br)=C1 B0602 [0,0,0,0,0,1|2,0,0]=3 520 B9R1.2 OCC1=NC=CC(Cl)=C1 C12436 [0,0,0,0,0,1|2,0,0]=3 521 B9R1.2 OCC1=NC=CC(F)=C1 F37340 [0,0,0,0,0,1|2,0,0]=3 522 B6R0.1 C#C\C(C)=C/CO M43300 [1,0,1,0,0,0|0,0,2]=4 523 B6R0.1 CC=CC(=O)CC H41457 [1,0,1,0,0,0|1,0,1]=4 524 B6R0.1 CCOC(=O)CO E37817 [1,0,1,0,0,0|1,0,1]=4 525 B6R0.4 C=C\C=C/C(=O)O P41118 [1,0,1,0,0,0|0,0,2]=4 526 B6R0.4 COC=CC(C)=O M41222 [1,0,1,0,0,0|1,0,1]=4 527 B6R0.4 O=C(O)\C=C\CBr B37272 [1,0,1,0,0,0|2,0,0]=4 528 B6R0.6 CC=CCCCO H41548 [1,0,1,0,0,0|0,0,2]=4 529 B6R0.6 CCC\C=C\CO H41550 [1,0,1,0,0,0|0,0,2]=4 530 B6R0.6 C\C=C\C=C\CO H69109 [1,0,1,0,0,0|0,0,0]=2 531 B6R1.2 BrC1=CC=CS1 B69329 [2,0,0,0,0,0|1,1,0]=4 532 B6R1.2 CC1=CC=CN1 M37933 [2,0,0,0,0,0|1,0,0]=3 533 B6R1.2 CC1=CC=CS1 M39179 [2,0,0,0,0,0|0,1,0]=3 534 B6R1.2 CC1=CC=NO1 M24354 [2,0,0,0,0,0|1,0,0]=3 535 B6R1.2 CC1=CN=CS1 M40166 [2,0,0,0,0,0|1,1,0]=4 536 B6R1.2 CC1=CNC=C1 M14657 [2,0,0,0,0,0|2,0,0]=4 537 B6R1.2 CC1=COC=N1 M13405 [2,0,0,0,0,0|2,0,0]=4 538 B6R1.2 CC1=CSC=N1 M24933 [2,0,0,0,0,0|2,0,0]=4 539 B6R1.2 CC1=NC=CS1 M40165 [2,0,0,0,0,0|1,1,0]=4 540 B6R1.2 CC1=NN=CO1 M32022 [2,0,0,0,0,0|2,0,0]=4 541 B6R1.2 CC1=NNC=C1 M36663 [2,0,0,0,0,0|2,0,0]=4 542 B6R1.2 CC1=NOC=C1 M40157 [2,0,0,0,0,0|2,0,0]=4 543 B6R1.2 CN1C=CC=N1 M12066 [2,0,0,0,0,0|2,0,0]=4 544 B6R1.2 IC1=CC=CS1 K39149 [2,0,0,0,0,0|1,1,0]=4 545 B6R1.2 IC1=NC=CO1 I11270 [2,0,0,0,0,0|2,0,0]=4 546 B6R1.2 NC1=CC=NO1 X67704 [2,0,0,0,0,0|2,0,0]=4 547 B6R1.2 NC1=NC=CO1 O5740 [2,0,0,0,0,0|2,0,0]=4 548 B6R1.2 O=C1C=CCO1 F5673 [2,0,0,0,0,0|0,0,2]=4 549 B6R1.2 O=C1NC=CO1 X39828 [2,0,0,0,0,0|1,0,1]=4 550 B6R1.2 OC1=NC=CS1 H39829 [2,0,0,0,0,0|1,1,0]=4 551 B6R1.2 OC1=NNC=C1 P24482 [2,0,0,0,0,0|2,0,0]=4 552 B6R1.2 ON1C=CC=N1 P25523 [2,0,0,0,0,0|2,0,0]=4 553 B8R1.7 CC(C)C1=CC=CO1 P43710 [1,1,0,0,0,0|1,0,0]=3 554 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [1,1,0,0,0,0|1,1,0]=4 555 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [1,1,0,0,0,0|0,0,0]=2 556 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [1,1,0,0,0,0|1,1,0]=4 557 B8R1.7 O=C(O)C1=CC=CN1 P24658 [1,1,0,0,0,0|1,0,1]=4 558 B8R1.7 O=C(O)C1=CC=CO1 F38499 [1,1,0,0,0,0|0,0,1]=3 559 B8R1.7 O=C(O)C1=CC=CS1 T69312 [1,1,0,0,0,0|0,1,1]=4 560 B8R1.7 O=C(O)C1=CC=NO1 K40064 [1,1,0,0,0,0|1,0,1]=4 561 B8R1.7 O=C(O)C1=CN=CO1 O9363 [1,1,0,0,0,0|1,0,1]=4 562 B8R1.7 OB(O)C1=CC=CO1 F3580 [1,1,0,0,0,0|1,0,0]=3 563 B8R1.8 CCCC1=CC=CS1 P43744 [1,1,0,0,0,0|1,1,0]=4 564 B8R1.8 CNCC1=CC=CS1 M43398 [1,1,0,0,0,0|1,1,0]=4 565 B8R1.8 N#CCC1=CC=CS1 T39260 [1,1,0,0,0,0|1,1,0]=4 566 B8R1.8 NCCC1=CC=CS1 T12818 [1,1,0,0,0,0|1,1,0]=4 567 B8R1.8 NNCC1=CC=CS1 H13973 [1,1,0,0,0,0|1,1,0]=4 568 B8R1.8 OCCC1=CC=CS1 T12817 [1,1,0,0,0,0|0,1,0]=3 569 B8R1.8 OCCC1=CN=CN1 K41362 [1,1,0,0,0,0|2,0,0]=4 570 B8R1.8 OCCC1=CNC=N1 I10449 [1,1,0,0,0,0|2,0,0]=4 571 B8R1.8 OCCC1=CSC=C1 T12832 [1,1,0,0,0,0|2,0,0]=4 572 B8R1.8 OCCN1C=CC=N1 P41188 [1,1,0,0,0,0|2,0,0]=4 573 B8R1.11 CC1=C(CO)NC=N1 H2822 [1,1,0,0,0,0|2,0,0]=4 574 B8R1.11 CC1=CNN=C1CO M63844 [1,1,0,0,0,0|2,0,0]=4 575 B8R1.11 CN1C=CC=C1CN M41429 [1,1,0,0,0,0|2,0,0]=4 576 B8R1.11 CN1C=CN=C1CO M41198 [1,1,0,0,0,0|2,0,0]=4 577 B8R1.11 CN1C=NC=C1CO H14300 [1,1,0,0,0,0|2,0,0]=4 578 B8R1.11 NCC1=C(Cl)C=CS1 A7919 [1,1,0,0,0,0|1,1,0]=4 579 B8R1.11 O=CC1=C(Br)C=CO1 B6471 [1,1,0,0,0,0|0,0,2]=4 580 B8R1.11 OCC1=C(Br)C=CS1 B14083 [1,1,0,0,0,0|0,1,0]=3 581 B8R1.11 OCC1=C(Br)N=CS1 B38277 [1,1,0,0,0,0|1,1,0]=4 582 B8R1.11 OCC1=C(Br)SC=C1 B41017 [1,1,0,0,0,0|2,0,0]=4 583 B8R1.11 OCC1=C(Cl)C=CS1 C11289 [1,1,0,0,0,0|0,1,0]=3 584 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [1,1,0,0,0,0|1,0,1]=4 585 B8R1.18 CC1=CC(=O)OC1=O C60582 [1,1,0,0,0,0|1,0,1]=4 586 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [1,1,0,0,0,0|1,0,1]=4 587 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [1,1,0,0,0,0|0,0,1]=3 588 B8R1.18 CC1=CC(C)=NN1C T41425 [1,1,0,0,0,0|2,0,0]=4 589 B8R1.18 CC1=NC(Br)=C(C)S1 B41110 [1,1,0,0,0,0|1,1,0]=4 590 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [1,1,0,0,0,0|1,0,0]=3 591 B8R1.18 CC1=NN(C)C(Br)=C1 B27171 [1,1,0,0,0,0|2,0,0]=4 592 B8R1.18 CC1=NN(C)C(Br)=C1 B2989 [1,1,0,0,0,0|2,0,0]=4 593 B8R1.18 CC1=NN(C)C(N)=C1 D1041 [1,1,0,0,0,0|2,0,0]=4 594 B8R1.18 CC1=NN(C)C(O)=C1 D9461 [1,1,0,0,0,0|2,0,0]=4 595 B8R1.18 CC1=NN(C)C=C1Br B12747 [1,1,0,0,0,0|2,0,0]=4 596 B8R1.18 CC1=NN(C)C=C1I K41135 [1,1,0,0,0,0|2,0,0]=4 597 B8R1.18 CC1=NN(C)C=C1N A10473 [1,1,0,0,0,0|2,0,0]=4 598 B8R1.18 CC1=NN(C)C=C1N D41244 [1,1,0,0,0,0|2,0,0]=4 599 B8R1.18 O=C1C=C(Br)C(=O)O1 B69515 [1,1,0,0,0,0|1,0,1]=4 600 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C40066 [1,1,0,0,0,0|1,0,1]=4 601 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [0,1,0,0,0,1|2,0,0]=4 602 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [0,1,0,0,0,1|2,0,0]=4 603 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [0,1,0,0,0,1|1,0,0]=3 604 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [0,1,0,0,0,1|2,0,0]=4 605 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.1 CC1=CN=C(CC#N)C=C1 M48792 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [0,1,0,0,0,1|1,0,0]=3 608 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [0,1,0,0,0,1|2,0,0]=4 610 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [0,1,0,0,0,1|2,0,0]=4 611 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [0,1,0,0,0,1|2,0,0]=4 612 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [0,1,0,0,0,1|2,0,0]=4 613 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [0,1,0,0,0,1|2,0,0]=4 614 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [0,1,0,0,0,1|2,0,0]=4 615 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [0,1,0,0,0,1|2,0,0]=4 616 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [0,1,0,0,0,1|2,0,0]=4 617 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [0,1,0,0,0,1|2,0,0]=4 618 B10R1.1 OCCC1=NC=C(Br)C=C1 B7705 [0,1,0,0,0,1|2,0,0]=4 619 B10R1.3 BrCC1=CC=C(CBr)C=C1 B48752 [0,1,0,0,0,1|2,0,0]=4 620 B10R1.3 C#CC1=CC=C(CO)C=C1 E51546 [0,1,0,0,0,1|1,0,1]=4 621 B10R1.3 C=CC1=CC=C(CO)C=C1 V32337 [0,1,0,0,0,1|1,0,1]=4 622 B10R1.3 CCC1=CC=C(OC)C=C1 E50270 [0,1,0,0,0,1|2,0,0]=4 623 B10R1.3 COC1=CC=C(CN)C=C1 M4627 [0,1,0,0,0,1|2,0,0]=4 624 B10R1.3 COC1=CC=C(CO)C=C1 M68895 [0,1,0,0,0,1|1,0,0]=3 625 B10R1.3 COC1=CN=C(CCl)C=C1 C15224 [0,1,0,0,0,1|2,0,0]=4 626 B10R1.3 COC1=CN=C(CO)C=C1 H15223 [0,1,0,0,0,1|1,0,0]=3 627 B10R1.3 COC1=NC=C(CBr)C=C1 B37014 [0,1,0,0,0,1|2,0,0]=4 628 B10R1.3 COC1=NC=C(CCl)C=C1 C46199 [0,1,0,0,0,1|2,0,0]=4 629 B10R1.3 COC1=NC=C(CN)C=C1 A10463 [0,1,0,0,0,1|2,0,0]=4 630 B10R1.3 COC1=NC=C(CN)C=C1 M29962 [0,1,0,0,0,1|2,0,0]=4 631 B10R1.3 COC1=NC=C(CN)C=C1 M46593 [0,1,0,0,0,1|2,0,0]=4 632 B10R1.3 COC1=NC=C(CO)C=C1 M0584 [0,1,0,0,0,1|1,0,0]=3 633 B10R1.3 COC1=NC=C(CO)C=N1 M16831 [0,1,0,0,0,1|2,0,0]=4 634 B10R1.3 COC1=NC=C(CO)N=C1 M61572 [0,1,0,0,0,1|2,0,0]=4 635 B10R1.3 CSC1=NC=C(CO)C=N1 M36801 [0,1,0,0,0,1|2,0,0]=4 636 B10R1.3 N#CC1=CC=C(CO)C=C1 H48443 [0,1,0,0,0,1|1,0,1]=4 637 B10R1.3 N#CC1=CN=C(CO)C=C1 H45222 [0,1,0,0,0,1|1,0,1]=4 638 B10R1.3 N#CC1=NC=C(CO)C=C1 H24396 [0,1,0,0,0,1|1,0,1]=4 639 B10R1.3 NCC1=CC=C(CN)C=C1 P46958 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.3 NCC1=CC=C(CO)C=C1 A37992 [0,1,0,0,0,1|1,0,0]=3 641 B10R1.3 O=CC1=CC=C(CO)C=C1 H49069 [0,1,0,0,0,1|1,0,1]=4 642 B10R1.3 OCC1=CC=C(CBr)C=C1 B38754 [0,1,0,0,0,1|1,0,0]=3 643 B10R1.3 OCC1=CC=C(CCl)C=C1 C49451 [0,1,0,0,0,1|1,0,0]=3 644 B10R1.3 OCC1=CC=C(CO)C=C1 B68897 [0,1,0,0,0,1|1,0,0]=3 645 B10R1.13 CC1=CC=C(B(O)O)C=C1 T5215 [0,1,0,0,0,1|2,0,0]=4 646 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [0,1,0,0,0,1|1,0,1]=4 647 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [0,1,0,0,0,1|2,0,0]=4 648 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [0,1,0,0,0,1|2,0,0]=4 650 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [0,1,0,0,0,1|1,0,0]=3 651 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M23707 [0,1,0,0,0,1|1,0,1]=4 652 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M46550 [0,1,0,0,0,1|1,0,1]=4 653 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.13 CC1=NC=C(B(O)O)C=C1 M24773 [0,1,0,0,0,1|2,0,0]=4 655 B10R1.13 CC1=NC=C(C(=O)O)C=C1 M10933 [0,1,0,0,0,1|1,0,1]=4 656 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [0,1,0,0,0,1|1,0,0]=3 657 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 B49428 [0,1,0,0,0,1|2,0,0]=4 658 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 C49454 [0,1,0,0,0,1|2,0,0]=4 659 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 F49461 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 B49431 [0,1,0,0,0,1|2,0,0]=4 661 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49442 [0,1,0,0,0,1|2,0,0]=4 662 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49449 [0,1,0,0,0,1|2,0,0]=4 663 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 F49463 [0,1,0,0,0,1|2,0,0]=4 664 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [0,1,0,0,0,1|2,0,0]=4 665 B10R1.13 O=C1C=CC(C(=O)O)=CO1 C7780 [0,1,0,0,0,1|1,0,1]=4 666 B10R1.25 CC1=C(CO)C=CC(Br)=C1 B61046 [0,1,0,0,0,1|2,0,0]=4 667 B10R1.25 CC1=C(CO)C=CC(F)=N1 F46222 [0,1,0,0,0,1|2,0,0]=4 668 B10R1.25 CC1=C(CO)C=CC(N)=C1 A39080 [0,1,0,0,0,1|2,0,0]=4 669 B10R1.25 CC1=CC(C)=C(CBr)C=C1 B49966 [0,1,0,0,0,1|2,0,0]=4 670 B10R1.25 CC1=CC(C)=C(CO)C=C1 D50273 [0,1,0,0,0,1|1,0,0]=3 671 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 C46753 [0,1,0,0,0,1|2,0,0]=4 672 B10R1.25 CC1=CC(N)=C(CO)C=C1 A46913 [0,1,0,0,0,1|1,0,0]=3 673 B10R1.25 CC1=CC(N)=C(CO)C=N1 A43644 [0,1,0,0,0,1|1,0,0]=3 674 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 B45763 [0,1,0,0,0,1|2,0,0]=4 675 B10R1.25 CC1=CN=C(CCl)C(C)=C1 C38639 [0,1,0,0,0,1|2,0,0]=4 676 B10R1.25 CC1=CN=C(CO)C(C)=C1 D46914 [0,1,0,0,0,1|1,0,0]=3 677 B10R1.25 CC1=NC(=O)C(CO)=CN1 H43232 [0,1,0,0,0,1|2,0,0]=4 678 B10R1.25 CC1=NC(C)=C(CO)C=C1 D64003 [0,1,0,0,0,1|1,0,0]=3 679 B10R1.25 CC1=NC(N)=C(CO)C=N1 A67768 [0,1,0,0,0,1|2,0,0]=4 680 B10R1.25 NC1=C(CO)C=CC(Br)=C1 A46164 [0,1,0,0,0,1|2,0,0]=4 681 B10R1.25 NC1=C(CO)C=CC(Cl)=C1 A46195 [0,1,0,0,0,1|2,0,0]=4 682 B10R1.25 NC1=CC(Br)=CN=C1CO A12038 [0,1,0,0,0,1|2,0,0]=4 683 B10R1.25 NC1=CC(Cl)=CN=C1CO A59939 [0,1,0,0,0,1|2,0,0]=4 684 B10R1.25 NC1=CC(Cl)=NC=C1CO A25618 [0,1,0,0,0,1|2,0,0]=4 685 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 D45544 [0,1,0,0,0,1|2,0,0]=4 686 B10R1.25 OCC1=C(Br)C=C(Cl)C=N1 B17743 [0,1,0,0,0,1|2,0,0]=4 687 B10R1.25 OCC1=C(Br)C=C(F)C=C1 B45567 [0,1,0,0,0,1|2,0,0]=4 688 B10R1.25 OCC1=C(Br)C=C(O)C=C1 B45904 [0,1,0,0,0,1|2,0,0]=4 689 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 D63315 [0,1,0,0,0,1|2,0,0]=4 690 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 D6829 [0,1,0,0,0,1|2,0,0]=4 691 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 C45594 [0,1,0,0,0,1|2,0,0]=4 692 B10R1.25 OCC1=C(F)C=C(Br)C=C1 B61349 [0,1,0,0,0,1|2,0,0]=4 693 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 C45596 [0,1,0,0,0,1|2,0,0]=4 694 B10R1.25 OCC1=C(F)C=C(F)C=C1 D45607 [0,1,0,0,0,1|2,0,0]=4 695 B10R1.25 OCC1=C(F)C=C(O)C=C1 F38990 [0,1,0,0,0,1|2,0,0]=4 696 B10R1.25 OCC1=C(O)C=C(Br)C=C1 B38232 [0,1,0,0,0,1|2,0,0]=4 697 B10R1.25 OCC1=CC=C(Br)N=C1Br D42635 [0,1,0,0,0,1|2,0,0]=4 698 B10R1.25 OCC1=CC=C(Cl)N=C1Cl D0718 [0,1,0,0,0,1|2,0,0]=4 699 B10R1.25 OCC1=CN=C(Cl)C=C1Cl D42662 [0,1,0,0,0,1|2,0,0]=4 700 B10R1.25 OCC1=NC=C(Br)C=C1Cl B42651 [0,1,0,0,0,1|2,0,0]=4 701 B10R1.25 OCC1=NC=C(Br)C=C1F B0544 [0,1,0,0,0,1|2,0,0]=4 702 B10R1.25 OCC1=NC=C(Cl)C=C1F C13727 [0,1,0,0,0,1|2,0,0]=4 703 B10R1.176 CC1=C(Br)C=C(CBr)C=C1 B38347 [0,1,0,0,0,1|2,0,0]=4 704 B10R1.176 CC1=C(Br)C=C(CO)C=C1 B49432 [0,1,0,0,0,1|1,0,0]=3 705 B10R1.176 CC1=C(Br)C=CC(CO)=C1 B49433 [0,1,0,0,0,1|2,0,0]=4 706 B10R1.176 CC1=C(Br)C=NC(CO)=C1 B46178 [0,1,0,0,0,1|2,0,0]=4 707 B10R1.176 CC1=C(C)C=C(CCl)C=C1 C49971 [0,1,0,0,0,1|2,0,0]=4 708 B10R1.176 CC1=C(C)C=C(CO)C=C1 D50275 [0,1,0,0,0,1|1,0,0]=3 709 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 C46749 [0,1,0,0,0,1|2,0,0]=4 710 B10R1.176 CC1=C(F)C=C(CO)C=N1 F46223 [0,1,0,0,0,1|1,0,0]=3 711 B10R1.176 CC1=C(I)C=C(CO)C=C1 K63324 [0,1,0,0,0,1|1,0,0]=3 712 B10R1.176 CC1=C(O)C=CC(CO)=C1 H46832 [0,1,0,0,0,1|2,0,0]=4 713 B10R1.176 CCC1=CC(C)=C(C)C=C1 E53022 [0,1,0,0,0,1|2,0,0]=4 714 B10R1.176 CN1C=C(CO)C=CC1=O H7538 [0,1,0,0,0,1|2,0,0]=4 715 B10R1.176 CN1C=CC(CO)=CC1=O M7545 [0,1,0,0,0,1|2,0,0]=4 716 B10R1.176 NC1=C(Br)C=C(CO)C=N1 A43064 [0,1,0,0,0,1|2,0,0]=4 717 B10R1.176 NC1=C(Br)C=CC(CO)=C1 A63987 [0,1,0,0,0,1|2,0,0]=4 718 B10R1.176 NC1=C(Br)C=NC(CO)=C1 A13425 [0,1,0,0,0,1|2,0,0]=4 719 B10R1.176 NC1=C(F)C=CC(CO)=C1 A46218 [0,1,0,0,0,1|2,0,0]=4 720 B10R1.176 NC1=C(O)C=CC(CO)=C1 A46403 [0,1,0,0,0,1|2,0,0]=4 721 B10R1.176 OCC1=CC(Br)=C(Cl)C=C1 B45556 [0,1,0,0,0,1|2,0,0]=4 722 B10R1.176 OCC1=CC(Br)=C(O)C=C1 B45902 [0,1,0,0,0,1|2,0,0]=4 723 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 D45586 [0,1,0,0,0,1|2,0,0]=4 724 B10R1.176 OCC1=CC(Cl)=C(F)C=N1 C5396 [0,1,0,0,0,1|2,0,0]=4 725 B10R1.176 OCC1=CC(F)=C(Br)C=C1 B45570 [0,1,0,0,0,1|2,0,0]=4 726 B10R1.176 OCC1=CC(F)=C(Cl)C=C1 C45597 [0,1,0,0,0,1|2,0,0]=4 727 B10R1.176 OCC1=CC(F)=C(F)C=C1 D45608 [0,1,0,0,0,1|2,0,0]=4 728 B10R1.176 OCC1=CC(I)=C(Cl)N=C1 C42675 [0,1,0,0,0,1|2,0,0]=4 729 B10R1.176 OCC1=CC(O)=C(Br)C=C1 B45903 [0,1,0,0,0,1|2,0,0]=4 730 B10R1.176 OCC1=CC(O)=C(F)C=C1 F45920 [0,1,0,0,0,1|2,0,0]=4 731 B10R1.176 OCC1=CC(O)=C(I)C=C1 H45924 [0,1,0,0,0,1|2,0,0]=4 732 B10R1.176 OCC1=CN=C(Cl)C(Cl)=C1 D9504 [0,1,0,0,0,1|2,0,0]=4 733 B10R1.2 CC1=C(Br)C=CC=C1CO B36982 [0,1,0,0,0,1|2,0,0]=4 734 B10R1.2 CC1=CC=CC(CBr)=C1C B49965 [0,1,0,0,0,1|2,0,0]=4 735 B10R1.2 CC1=CC=CC(CN)=C1O A49525 [0,1,0,0,0,1|2,0,0]=4 736 B10R1.2 CC1=CC=CC(CO)=C1C D50272 [0,1,0,0,0,1|1,0,0]=3 737 B10R1.2 CC1=CC=CC(CO)=C1N A46912 [0,1,0,0,0,1|1,0,0]=3 738 B10R1.2 CN1C=CC=C(CO)C1=O M0353 [0,1,0,0,0,1|2,0,0]=4 739 B10R1.2 NC1=C(Br)C=CC=C1CO A46163 [0,1,0,0,0,1|2,0,0]=4 740 B10R1.2 NC1=C(Br)C=NC=C1CO A43063 [0,1,0,0,0,1|2,0,0]=4 741 B10R1.2 NC1=C(Cl)C=CC=C1CO A46194 [0,1,0,0,0,1|2,0,0]=4 742 B10R1.2 NC1=C(F)C(CO)=CC=C1 A46217 [0,1,0,0,0,1|2,0,0]=4 743 B10R1.2 NC1=C(F)C=CC=C1CO A46214 [0,1,0,0,0,1|2,0,0]=4 744 B10R1.2 NC1=CC=CC(CO)=C1N D43630 [0,1,0,0,0,1|2,0,0]=4 745 B10R1.2 OCC1=C(F)C(Br)=NC=C1 B42655 [0,1,0,0,0,1|2,0,0]=4 746 B10R1.2 OCC1=CC=CC(Br)=C1Cl B45555 [0,1,0,0,0,1|2,0,0]=4 747 B10R1.2 OCC1=CC=CC(Br)=C1F B37891 [0,1,0,0,0,1|2,0,0]=4 748 B10R1.2 OCC1=CC=CC(Cl)=C1Cl D45588 [0,1,0,0,0,1|2,0,0]=4 749 B10R1.2 OCC1=CC=CC(F)=C1F D45606 [0,1,0,0,0,1|2,0,0]=4 750 B10R1.2 OCC1=CC=CC(I)=C1Br B45578 [0,1,0,0,0,1|2,0,0]=4 751 B10R1.8 CC1=CC(Br)=CC(CN)=N1 B38998 [0,1,0,0,0,1|2,0,0]=4 752 B10R1.8 CC1=CC(Br)=CC(CO)=N1 B46176 [0,1,0,0,0,1|1,0,0]=3 753 B10R1.8 CC1=CC(C)=CC(CBr)=C1 B49967 [0,1,0,0,0,1|2,0,0]=4 754 B10R1.8 CC1=CC(C)=NC(CCl)=N1 C25169 [0,1,0,0,0,1|2,0,0]=4 755 B10R1.8 CC1=CC(C)=NC(CO)=N1 D24164 [0,1,0,0,0,1|1,0,0]=3 756 B10R1.8 CC1=CC(CCl)=CC(C)=N1 C37487 [0,1,0,0,0,1|2,0,0]=4 757 B10R1.8 CC1=CC(CO)=CC(C)=N1 D3612 [0,1,0,0,0,1|1,0,0]=3 758 B10R1.8 CCC1=CC(C)=CC(O)=C1 E50268 [0,1,0,0,0,1|2,0,0]=4 759 B10R1.8 CCC1=CC(O)=NC(C)=N1 E43643 [0,1,0,0,0,1|2,0,0]=4 760 B10R1.8 NC1=CC(CO)=CC(Cl)=C1 A46198 [0,1,0,0,0,1|2,0,0]=4 761 B10R1.8 NC1=CC(N)=NC(CO)=N1 A8780 [0,1,0,0,0,1|2,0,0]=4 762 B10R1.8 O=C1C=C(CO)NC(=O)N1 H66447 [0,1,0,0,0,1|2,0,0]=4 763 B10R1.8 OCC1=CC(Br)=CC(Br)=C1 D45547 [0,1,0,0,0,1|2,0,0]=4 764 B10R1.8 OCC1=CC(Br)=CC(F)=C1 B38393 [0,1,0,0,0,1|2,0,0]=4 765 B10R1.8 OCC1=CC(Br)=NC(Br)=C1 D15391 [0,1,0,0,0,1|2,0,0]=4 766 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 D45587 [0,1,0,0,0,1|2,0,0]=4 767 B10R1.8 OCC1=CC(Cl)=CC(Cl)=N1 D38835 [0,1,0,0,0,1|2,0,0]=4 768 B10R1.8 OCC1=CC(Cl)=NC(Cl)=C1 D9371 [0,1,0,0,0,1|2,0,0]=4 769 B10R1.8 OCC1=CC(I)=CC(I)=C1 D45611 [0,1,0,0,0,1|2,0,0]=4 770 B10R1.8 OCC1=NC(Cl)=CC(Cl)=N1 D32146 [0,1,0,0,0,1|2,0,0]=4 771 B10R1.8 OCC1=NC(Cl)=NC(Cl)=C1 C23036 [0,1,0,0,0,1|2,0,0]=4 772 B10R1.10 CC1=CC=CC(CC#N)=C1 M67706 [0,1,0,0,0,1|2,0,0]=4 773 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [0,1,0,0,0,1|2,0,0]=4 774 B10R1.10 CC1=NC=CC(CC#N)=C1 M29959 [0,1,0,0,0,1|2,0,0]=4 775 B10R1.10 CCOC1=NC(C)=CN=C1 E43628 [0,1,0,0,0,1|2,0,0]=4 776 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [0,1,0,0,0,1|2,0,0]=4 777 B10R1.10 COCC1=CC=NC(Cl)=N1 C43072 [0,1,0,0,0,1|2,0,0]=4 778 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [0,1,0,0,0,1|2,0,0]=4 779 B10R1.10 OCCC1=CC=CC(Br)=N1 B46160 [0,1,0,0,0,1|2,0,0]=4 780 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [0,1,0,0,0,1|2,0,0]=4 781 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [0,1,0,0,0,1|2,0,0]=4 782 B10R1.30 CC1=C(CO)C=C(Br)C=C1 B67343 [0,1,0,0,0,1|2,0,0]=4 783 B10R1.30 CC1=C(CO)C=C(I)C=C1 K49473 [0,1,0,0,0,1|2,0,0]=4 784 B10R1.30 CC1=CC(CO)=C(Br)C=C1 B63209 [0,1,0,0,0,1|1,0,0]=3 785 B10R1.30 CC1=CC(CO)=C(Br)C=N1 B46177 [0,1,0,0,0,1|1,0,0]=3 786 B10R1.30 CC1=CC=C(N)C(CO)=N1 A13503 [0,1,0,0,0,1|1,0,0]=3 787 B10R1.30 CC1=CC=C(O)C(CCl)=N1 C65989 [0,1,0,0,0,1|2,0,0]=4 788 B10R1.30 CC1=NC(CO)=C(Br)C=C1 B63914 [0,1,0,0,0,1|1,0,0]=3 789 B10R1.30 CC1=NC(CO)=C(O)C=C1 H46408 [0,1,0,0,0,1|1,0,0]=3 790 B10R1.30 NC1=C(CO)C=C(Br)C=C1 A10854 [0,1,0,0,0,1|2,0,0]=4 791 B10R1.30 NC1=C(CO)C=C(Cl)C=C1 A46196 [0,1,0,0,0,1|2,0,0]=4 792 B10R1.30 NC1=C(CO)C=C(F)C=C1 A46215 [0,1,0,0,0,1|2,0,0]=4 793 B10R1.30 NC1=C(CO)N=C(Br)C=N1 A37107 [0,1,0,0,0,1|2,0,0]=4 794 B10R1.30 NC1=CC(CO)=C(F)C=C1 A46219 [0,1,0,0,0,1|2,0,0]=4 795 B10R1.30 NC1=NC=C(Br)C=C1CO A43065 [0,1,0,0,0,1|2,0,0]=4 796 B10R1.30 NC1=NC=C(I)C=C1CO A68723 [0,1,0,0,0,1|2,0,0]=4 797 B10R1.30 OCC1=C(Br)C=CC(Br)=C1 D45545 [0,1,0,0,0,1|2,0,0]=4 798 B10R1.30 OCC1=C(Br)C=CC(Cl)=C1 B45558 [0,1,0,0,0,1|2,0,0]=4 799 B10R1.30 OCC1=C(Br)C=CC(F)=C1 B45568 [0,1,0,0,0,1|2,0,0]=4 800 B10R1.30 OCC1=C(Br)C=CC(I)=C1 B45579 [0,1,0,0,0,1|2,0,0]=4 801 B10R1.30 OCC1=C(Cl)C=CC(Br)=C1 B45559 [0,1,0,0,0,1|2,0,0]=4 802 B10R1.30 OCC1=C(Cl)C=CC(Cl)=C1 D45589 [0,1,0,0,0,1|2,0,0]=4 803 B10R1.30 OCC1=C(Cl)C=CC(F)=C1 C45595 [0,1,0,0,0,1|2,0,0]=4 804 B10R1.30 OCC1=C(Cl)C=CC(O)=C1 C45913 [0,1,0,0,0,1|2,0,0]=4 805 B10R1.30 OCC1=C(F)C=CC(Br)=C1 B45571 [0,1,0,0,0,1|2,0,0]=4 806 B10R1.30 OCC1=C(F)C=CC(Cl)=N1 C42671 [0,1,0,0,0,1|2,0,0]=4 807 B10R1.30 OCC1=C(I)C=CC(Br)=C1 B45580 [0,1,0,0,0,1|2,0,0]=4 808 B10R1.30 OCC1=C(O)C=CC(Br)=C1 B68796 [0,1,0,0,0,1|2,0,0]=4 809 B10R1.30 OCC1=CC(Br)=CN=C1Cl B12727 [0,1,0,0,0,1|2,0,0]=4 810 B10R1.30 OCC1=CC(Br)=CN=C1F B12899 [0,1,0,0,0,1|2,0,0]=4 811 B10R1.30 OCC1=CC(Cl)=CN=C1Br B42649 [0,1,0,0,0,1|2,0,0]=4 812 B10R1.30 OCC1=CC(Cl)=NC=C1F C42670 [0,1,0,0,0,1|2,0,0]=4 813 B10R1.113 CC1=CC(B(O)O)=CN=C1 M5113 [0,1,0,0,0,1|2,0,0]=4 814 B10R1.113 CC1=CC(C(=O)O)=CN=C1 M10515 [0,1,0,0,0,1|1,0,1]=4 815 B10R1.113 CC1=CC(C(=O)O)=NC=C1 M38719 [0,1,0,0,0,1|1,0,1]=4 816 B10R1.113 CC1=CC=CC(B(O)O)=C1 T5210 [0,1,0,0,0,1|2,0,0]=4 817 B10R1.113 CC1=CC=CC(C(=O)O)=N1 M45823 [0,1,0,0,0,1|1,0,1]=4 818 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T50311 [0,1,0,0,0,1|2,0,0]=4 819 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T52159 [0,1,0,0,0,1|2,0,0]=4 820 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 T50309 [0,1,0,0,0,1|2,0,0]=4 821 B10R1.113 CC1=CC=NC(C(=O)O)=N1 M14425 [0,1,0,0,0,1|1,0,1]=4 822 B10R1.113 CC1=CN=CC(C(=O)O)=N1 M10680 [0,1,0,0,0,1|1,0,1]=4 823 B10R1.113 CC1=NC=CC(B(O)O)=C1 M24370 [0,1,0,0,0,1|2,0,0]=4 824 B10R1.113 CC1=NC=CC(B(O)O)=C1 M43543 [0,1,0,0,0,1|2,0,0]=4 825 B10R1.113 CC1=NC=CC(C(=O)O)=C1 M15805 [0,1,0,0,0,1|1,0,1]=4 826 B10R1.113 CC1=NC=CC(C(=O)O)=N1 M42778 [0,1,0,0,0,1|1,0,1]=4 827 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 C49447 [0,1,0,0,0,1|2,0,0]=4 828 B10R1.113 C[C@H](O)C1=CC(N)=CC=C1 A46893 [0,1,0,0,0,1|2,0,0]=4 829 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 B49430 [0,1,0,0,0,1|2,0,0]=4 830 B10R1.113 C[C@H](O)C1=CC=CC(Br)=N1 B37443 [0,1,0,0,0,1|2,0,0]=4 831 B10R1.113 C[C@H](O)C1=NC=CC(Cl)=C1 C46192 [0,1,0,0,0,1|2,0,0]=4 832 B10R1.172 BrCC1=CC=CC(CBr)=C1 B48751 [0,1,0,0,0,1|2,0,0]=4 833 B10R1.172 CCC1=CC=CC(CC)=N1 D50308 [0,1,0,0,0,1|2,0,0]=4 834 B10R1.172 CCC1=CC=CC(CO)=N1 E46907 [0,1,0,0,0,1|1,0,0]=3 835 B10R1.172 CCC1=CC=CC(NC)=N1 E46969 [0,1,0,0,0,1|2,0,0]=4 836 B10R1.172 CNC1=NC=CC(CO)=N1 M63073 [0,1,0,0,0,1|1,0,0]=3 837 B10R1.172 COC1=CC(CCl)=NC=C1 C46205 [0,1,0,0,0,1|2,0,0]=4 838 B10R1.172 COC1=CC(CN)=CC=C1 M27985 [0,1,0,0,0,1|2,0,0]=4 839 B10R1.172 COC1=CC(CN)=NC=C1 M36712 [0,1,0,0,0,1|2,0,0]=4 840 B10R1.172 COC1=CC(CN)=NC=C1 M46591 [0,1,0,0,0,1|2,0,0]=4 841 B10R1.172 COC1=CC(CO)=CC=C1 M39430 [0,1,0,0,0,1|1,0,0]=3 842 B10R1.172 COC1=CC(CO)=NC=C1 M38100 [0,1,0,0,0,1|1,0,0]=3 843 B10R1.172 COC1=CC=CC(CBr)=N1 B46166 [0,1,0,0,0,1|2,0,0]=4 844 B10R1.172 COC1=CC=CC(CCl)=C1 C49452 [0,1,0,0,0,1|2,0,0]=4 845 B10R1.172 COC1=CC=CC(CCl)=N1 C46206 [0,1,0,0,0,1|2,0,0]=4 846 B10R1.172 COC1=CN=CC(CN)=C1 M11309 [0,1,0,0,0,1|2,0,0]=4 847 B10R1.172 COC1=CN=CC(CO)=C1 M14136 [0,1,0,0,0,1|1,0,0]=3 848 B10R1.172 COC1=NC(CN)=CC=C1 M46592 [0,1,0,0,0,1|2,0,0]=4 849 B10R1.172 COC1=NC(CN)=CC=N1 M43577 [0,1,0,0,0,1|2,0,0]=4 850 B10R1.172 COC1=NC(CN)=NC=C1 M27520 [0,1,0,0,0,1|2,0,0]=4 851 B10R1.172 COC1=NC(CO)=CC=C1 M46402 [0,1,0,0,0,1|1,0,0]=3 852 B10R1.172 COC1=NC(CO)=CC=N1 H11374 [0,1,0,0,0,1|1,0,0]=3 853 B10R1.172 COC1=NC=CC(CN)=C1 M0578 [0,1,0,0,0,1|2,0,0]=4 854 B10R1.172 COC1=NC=CC(CO)=C1 M0582 [0,1,0,0,0,1|1,0,0]=3 855 B10R1.172 CSC1=NC(CN)=CC=N1 M43374 [0,1,0,0,0,1|2,0,0]=4 856 B10R1.172 CSC1=NC(CO)=CC=N1 M32432 [0,1,0,0,0,1|1,0,0]=3 857 B10R1.172 ClCC1=CC=CC(CCl)=C1 B48773 [0,1,0,0,0,1|2,0,0]=4 858 B10R1.172 N#CC1=CC(CO)=CN=C1 H37587 [0,1,0,0,0,1|1,0,1]=4 859 B10R1.172 N#CC1=CC=CC(CO)=C1 C48440 [0,1,0,0,0,1|1,0,1]=4 860 B10R1.172 N#CC1=CC=CC(CO)=N1 H63393 [0,1,0,0,0,1|1,0,1]=4 861 B10R1.172 NCC1=CC=CC(CO)=C1 A46908 [0,1,0,0,0,1|1,0,0]=3 862 B10R1.172 NCC1=CC=CC(CO)=N1 A46595 [0,1,0,0,0,1|1,0,0]=3 863 B10R1.172 O=CC1=CC(CO)=CC=C1 H36764 [0,1,0,0,0,1|1,0,1]=4 864 B10R1.172 OCC1=CC=CC(CCl)=C1 C49450 [0,1,0,0,0,1|1,0,0]=3 865 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 M49548 [0,2,0,0,0,0|1,0,0]=3 866 B10R1.14 COC(=O)C1=CC=C(Br)O1 M42716 [0,2,0,0,0,0|1,0,1]=4 867 B10R1.14 COC(=O)C1=CC=C(C)N1 M46412 [0,2,0,0,0,0|1,0,1]=4 868 B10R1.14 COC(=O)C1=CC=C(C)O1 M46254 [0,2,0,0,0,0|0,0,1]=3 869 B10R1.14 COC(=O)C1=CC=C(N)O1 A11105 [0,2,0,0,0,0|1,0,1]=4 870 B10R1.14 COC(=O)C1=CN=C(C)O1 M3277 [0,2,0,0,0,0|1,0,1]=4 871 B10R1.14 COC(=O)C1=NC=C(C)O1 M17998 [0,2,0,0,0,0|1,0,1]=4 872 B10R1.16 CC1=CC=C(C=CC=O)O1 M49076 [0,2,0,0,0,0|0,0,2]=4 873 B10R1.130 CC1=CC(C)=NN1CCO D63007 [0,2,0,0,0,0|2,0,0]=4 874 B10R1.31 CC(C)C1=NC(CO)=CS1 H2956 [0,2,0,0,0,0|2,0,0]=4 875 B10R1.31 COC1=CN=C(C(=O)O)O1 M41003 [0,2,0,0,0,0|1,0,1]=4 876 B10R1.31 N#CC1=CC=C(C(=O)O)O1 C41961 [0,2,0,0,0,0|0,0,2]=4 877 B10R1.31 O=CC1=CC=C(B(O)O)O1 F3420 [0,2,0,0,0,0|1,0,1]=4 878 B10R1.31 O=CC1=CC=C(C(=O)O)O1 F42334 [0,2,0,0,0,0|0,0,2]=4 879 B10R1.31 OCC1=CC=C(B(O)O)O1 H37169 [0,2,0,0,0,0|1,0,0]=3 880 B10R1.31 OCC1=CC=C(B(O)O)S1 H41182 [0,2,0,0,0,0|1,1,0]=4 881 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 D46833 [0,2,0,0,0,0|0,0,2]=4 882 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 D43161 [0,2,0,0,0,0|1,0,1]=4 883 B10R1.58 CC1=C(Br)C=C(B(O)O)S1 B41120 [0,2,0,0,0,0|1,1,0]=4 884 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B42699 [0,2,0,0,0,0|0,1,1]=4 885 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 D40555 [0,2,0,0,0,0|1,0,1]=4 886 B10R1.55 CC1=CC=C([B-](F)(F)F)O1 P61794 [0,2,0,0,0,0|2,0,0]=4 887 B8R1.2 OCC1=CN=CC=C1 P15946 [0,0,1,1,0,0|2,0,0]=4 888 B8R1.2 OCC1=NC=CC=C1 P69303 [0,0,1,1,0,0|1,0,1]=4 889 B8R1.2 OCC1=NN=CC=C1 P0155 [0,0,1,1,0,0|2,0,0]=4 890 B8R1.3 CC1=CN=C(O)C=C1 M63706 [0,0,1,1,0,0|2,0,0]=4 891 B8R1.3 CC1=NC=C(O)C=C1 H4553 [0,0,1,1,0,0|1,0,1]=4