0 B8R1.4 BrC1=CC(I)=NC=C1 A10666 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.4 CC1=CC(I)=NC=C1 D87895 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.4 CC1=CC=NC(I)=N1 N13215 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.4 CC1=NC(N)=CN=N1 D86296 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.4 ClC1=CC(I)=NC=N1 A51177 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.4 ClC1=CC=NC(Br)=N1 81850 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.4 ClC1=NC(Cl)=NN=C1 F53483 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.4 FC1=NC=CC(Br)=N1 AT18301 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.4 NC1=CC=CC(=S)N1 C15708 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.4 NC1=NC(Cl)=NN=C1 92269 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.4 O=C1C=C(S)NC=N1 FD7370 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.4 O=C1C=CNC(=O)O1 C15625 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.4 OC1=CC(I)=CN=C1 D74429 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.4 SC1=CC(Br)=CN=C1 P12662 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.4 [2H]C1=CC=CC([2H])=C1 D99674 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.4 [2H]C1=CC=CC([2H])=N1 D98925 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.3 ClC1=CC=NC=C1 F17303 [1,0,0,0,0,0|1,0,0]=2 18 B7R1.3 ClC1=CN=NC=C1 F19795 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.3 ClC1=NC=CC=N1 F20795 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.3 ClC1=NC=NC=C1 F18311 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.3 FC1=CC=NC=C1 F19691 [1,0,0,0,0,0|1,0,0]=2 22 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 IC1=NC=NC=C1 C15557 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.3 O=C1C=NN=CN1 F30273 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.3 OC1=CN=NC=C1 O12057 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.3 SC1=NN=CC=C1 AT13031 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 [2H]C1=CC=CC=C1 D98570 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 [2H]C1=CC=NC=C1 D98795 [1,0,0,0,0,0|1,0,0]=2 30 B7R1.3 [2H]C1=NC=CC=C1 D98277 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.2 C#CC1=CC(C)=CN=C1 AT12963 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.2 C#CC1=CC=NC(Cl)=N1 AT12429 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.2 C#CC1=NC(C)=CC=N1 AT18275 [0,1,0,0,0,0|1,0,1]=3 34 B9R1.2 C=CC1=CC=NC(N)=N1 AT12778 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.2 CC1=CC(C=O)=NC=N1 AT18315 [0,1,0,0,0,0|1,0,1]=3 36 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.2 CC1=CC(CCl)=NC=N1 F52607 [0,1,0,0,0,0|1,0,0]=2 38 B9R1.2 CC1=CC(CN)=NC=N1 AT18324 [0,1,0,0,0,0|1,0,0]=2 39 B9R1.2 CC1=CC=NC(CCl)=N1 P10964 [0,1,0,0,0,0|1,0,0]=2 40 B9R1.2 CC1=CC=NC(CN)=N1 P10960 [0,1,0,0,0,0|1,0,0]=2 41 B9R1.2 CC1=CN=CC(CCl)=N1 O10514 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.2 CC1=CN=CC(CCl)=N1 Y10493 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.2 CC1=CN=NC(CN)=C1 P13788 [0,1,0,0,0,0|1,0,0]=2 45 B9R1.2 CC1=NC=CC(CCl)=N1 F53395 [0,1,0,0,0,0|1,0,0]=2 46 B9R1.2 CC1=NC=CC(CN)=N1 F14224 [0,1,0,0,0,0|1,0,0]=2 47 B9R1.2 CC1=NC=CC(NN)=C1 F16202 [0,1,0,0,0,0|1,0,0]=2 48 B9R1.2 CCC1=CC(Cl)=NN=C1 S11387 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.2 CCC1=NC=CC(Cl)=N1 W12562 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.2 CNC1=CC(Br)=NC=N1 AT18306 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [0,1,0,0,0,0|1,0,0]=2 52 B9R1.2 COC1=CC(O)=NC=C1 F17762 [0,1,0,0,0,0|1,0,0]=2 53 B9R1.2 COC1=CCC=C(C)C1 AC4015 [0,1,0,0,0,0|1,0,2]=4 54 B9R1.2 COC1=CN=CC(N)=C1 P11509 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.2 CSC1=CC(Cl)=CN=C1 AT19857 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.2 CSC1=NC(N)=NC=C1 AT18329 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.2 CSC1=NN=CC(C)=N1 AT21837 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [0,1,0,0,0,0|0,0,1]=2 59 B9R1.2 ClC1=NC=CC(CBr)=C1 C16429 [0,1,0,0,0,0|1,0,0]=2 60 B9R1.2 ClC1=NC=CC(CBr)=N1 F12213 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.2 ClCC1=NC=CC(Cl)=C1 C13998 [0,1,0,0,0,0|1,0,0]=2 62 B9R1.2 FC1=CC(CCl)=CN=C1 O10881 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.2 FCC1=CC(Cl)=NC=N1 82110 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.2 N#CC1=CC(Cl)=NN=C1 AT17811 [0,1,0,0,0,0|2,0,1]=4 65 B9R1.2 N#CC1=CC(I)=NC=C1 A11430 [0,1,0,0,0,0|1,0,1]=3 66 B9R1.2 N#CC1=NC=CC(I)=C1 P10625 [0,1,0,0,0,0|1,0,1]=3 67 B9R1.2 NC1=NC=CC(C=O)=C1 O10660 [0,1,0,0,0,0|1,0,1]=3 68 B9R1.2 NCC1=CC(=O)NC=C1 37540 [0,1,0,0,0,0|1,0,1]=3 69 B9R1.2 NCC1=CC(Br)=CN=C1 F19818 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.2 NCC1=CC(F)=NC=C1 W18404 [0,1,0,0,0,0|1,0,0]=2 71 B9R1.2 NCC1=CC(N)=NC=C1 AC6477 [0,1,0,0,0,0|1,0,0]=2 72 B9R1.2 NCC1=CC=CC(Cl)=N1 C72946 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [0,1,0,0,0,0|1,0,0]=2 76 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [0,1,0,0,0,0|1,0,0]=2 77 B9R1.2 NCC1=NC=CC(N)=C1 77886 [0,1,0,0,0,0|1,0,0]=2 78 B9R1.2 NNC1=CC=NC(O)=N1 S10644 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.2 OCC1=CC(O)=NC=N1 59935 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.2 [O-][N+]1=CC=CC(CCl)=C1 96310 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.3 CC1=C(Br)C(=O)NC=C1 29620 [0,1,0,0,0,0|1,0,1]=3 83 B9R1.3 CC1=C(F)C(=O)NC=N1 54993 [0,1,0,0,0,0|2,0,0]=3 84 B9R1.3 CC1=C(F)C(Br)=NC=N1 54994 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.3 CC1=C(F)C(Cl)=NC=N1 C77032 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.3 CC1=C(I)C(=O)C=CN1 D84797 [0,1,0,0,0,0|1,0,1]=3 87 B9R1.3 CC1=C(N)C(Cl)=NC=N1 W15310 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.3 CC1=CC=CC(S)=C1C F20973 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.3 CC1=CC=CC(S)=C1N AT19641 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.3 CC1=CC=NC(C)=C1O F17537 [0,1,0,0,0,0|0,0,0]=1 91 B9R1.3 CC1=CC=NC(Cl)=C1I H11415 [0,1,0,0,0,0|1,0,0]=2 92 B9R1.3 CC1=CC=NC(F)=C1I AT21585 [0,1,0,0,0,0|1,0,0]=2 93 B9R1.3 CC1=CC=NC(N)=C1Cl D71951 [0,1,0,0,0,0|1,0,0]=2 94 B9R1.3 CC1=CC=NC(N)=C1I 65853 [0,1,0,0,0,0|1,0,0]=2 95 B9R1.3 CC1=CN=NC(N)=C1Br AT10447 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.3 CC1=NC=CC(Cl)=C1N O11210 [0,1,0,0,0,0|1,0,0]=2 97 B9R1.3 CC1=NC=CC(N)=C1Br D96170 [0,1,0,0,0,0|1,0,0]=2 98 B9R1.3 CC1=NC=C[N+]([O-])=C1Cl F18066 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.3 CC1=NC=NC(C)=C1N AT18386 [0,1,0,0,0,0|1,0,0]=2 100 B9R1.3 CN1C(=O)C=CN=C1N AT13875 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.3 CN1C=CN=C(Cl)C1=O AT19208 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.3 CN1C=CN=C(N)C1=O AT13880 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.3 CN1N=CC=C(Cl)C1=O 55553 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.3 ClC1=CC=NC(Br)=C1I C11069 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.3 FC1=CC=CC(Br)=C1S AT20836 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.3 FC1=CC=CC(Cl)=C1S AT20825 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.3 NC1=C(Br)C(=O)NC=N1 H10162 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.3 NC1=C(F)C(=O)NC=C1 F18691 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.3 NC1=C(S)C=CC=C1F C16304 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.3 NC1=C(S)N=CN=C1Cl C91546 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.3 NC1=CC=CC(Cl)=C1S AT19651 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.3 NC1=CC=CC(I)=C1Cl D96226 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.3 NC1=CC=CC(N)=C1N C75845 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.3 NC1=CC=CC(N)=C1O O10621 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.3 NC1=CC=CC(O)=C1O 30915 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.3 NC1=NC=CC(N)=C1N 98115 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.3 NC1=NC=CC(N)=C1N CS1386 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.3 NC1=NC=NC(N)=C1Cl P20502 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.3 O=C1NC=CC(Br)=C1Br 91734 [0,1,0,0,0,0|2,0,1]=4 120 B9R1.3 OC1=CC=CC(I)=C1O D82483 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.3 OC1=CC=NC(F)=C1Cl 91690 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.3 OC1=NC=NC(O)=C1Cl S10271 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.3 [2H]C1=CC=CC(I)=C1[2H] D97970 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.34 CC1=CC(Cl)=CC(F)=N1 91500 [0,1,0,0,0,0|1,0,0]=2 125 B9R1.34 CC1=CC(F)=CC(F)=N1 C16435 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.34 CC1=CC(F)=NC(N)=N1 92215 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.34 CC1=CC(I)=CC(C)=N1 O11249 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.34 CC1=CC(N)=CC(=O)O1 W11226 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.34 CC1=CC(N)=CC(O)=N1 D80759 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.34 CC1=CC(O)=CC(Cl)=N1 C15794 [0,1,0,0,0,0|1,0,0]=2 131 B9R1.34 ClC1=CC(I)=CC(Br)=N1 AT13204 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.34 FC1=NC(Cl)=NC(Cl)=C1 A51075 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.34 NC1=CC(Br)=CC(F)=N1 E71786 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.34 NC1=CC(Br)=CC(O)=C1 53862 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.34 NC1=CC(Cl)=NC(=O)N1 90675 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.34 NC1=CC(I)=CC(I)=C1 59844 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.34 NC1=CC(N)=NC(O)=N1 H10201 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.34 NC1=CC(O)=CC(O)=C1 11229 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.34 NC1=NC(I)=CC(I)=N1 F21429 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.34 O=C1C=C(Cl)N=C(Cl)N1 26535 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.34 OC1=CC(O)=NC(O)=N1 S12330 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.34 SC1=CC(Br)=CC(Cl)=C1 AT20882 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.34 SC1=CC(S)=CC(S)=C1 T70854 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.34 [2H]C1=CC([2H])=CC(Cl)=C1 D99131 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.34 [2H]C1=CC([2H])=CC(O)=C1 D99082 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.69 BrC1=C(Br)C=C(I)C=C1 T73057 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.69 CC1=C(C)N=C(Br)C=C1 F16237 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.69 CC1=C(C)N=C(O)C=C1 F51184 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.69 CC1=C(C)NC(=O)C=C1 F52969 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.69 CC1=C(N)C=CC(S)=C1 AT20958 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.69 CC1=C(O)N=C(Cl)N=C1 AC8001 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.69 CC1=C(S)C=C(Br)C=C1 AT20875 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.69 CC1=C(S)C=C(N)C=C1 AT20843 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.69 CC1=C(S)C=CC(Br)=C1 AT20848 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.69 CC1=C(S)N=C(S)N=C1 W17242 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.69 CC1=CC(Br)=COC1=O E71746 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.69 CC1=CC(Br)=NC=C1O 96317 [0,1,0,0,0,0|1,0,0]=2 158 B9R1.69 CC1=CC(Br)=NN=C1C AT17779 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.69 CC1=CC(C)=C(N)N=N1 A51049 [0,1,0,0,0,0|1,0,0]=2 160 B9R1.69 CC1=CC(Cl)=NN=C1N AT17812 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.69 CC1=CC(I)=C(Br)N=C1 I10150 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.69 CC1=CC(I)=C(Cl)N=C1 I10136 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.69 CC1=CC(I)=C(O)C=N1 96425 [0,1,0,0,0,0|1,0,0]=2 164 B9R1.69 CC1=CC(I)=NC=C1N 80294 [0,1,0,0,0,0|1,0,0]=2 165 B9R1.69 CC1=CC(N)=C(S)C=C1 AT19644 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.69 CC1=CC(S)=C(Cl)C=C1 AT20814 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19639 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19640 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.69 CC1=CC(S)=C(N)N=N1 P10200 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.69 CC1=CC(S)=NN=C1C AT17808 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.69 CC1=CC=C(I)C(=O)N1 93733 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.69 CC1=CC=C(N)C(N)=N1 C16371 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.69 CC1=CC=C(N)C(O)=N1 68793 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.69 CC1=CN=C(Cl)C=C1F F18561 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.69 CC1=CN=C(N)C(N)=C1 27799 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.69 CC1=CN=C(O)C=C1C AT24357 [0,1,0,0,0,0|1,0,0]=2 177 B9R1.69 CC1=NC(=O)C(N)=CN1 O11345 [0,1,0,0,0,0|2,0,1]=4 178 B9R1.69 CC1=NC(=O)[C@@H](N)C=N1 O11346 [0,1,0,0,0,0|2,0,1]=4 179 B9R1.69 CC1=NC(Cl)=C(I)C=N1 O11217 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.69 CC1=[N+]([O-])C=CC(Cl)=C1 AT14034 [0,1,0,0,0,0|1,0,1]=3 181 B9R1.69 CN1C=CC(=O)C=C1Br C73679 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.69 ClC1=C(Br)C=C(Br)C=C1 N12666 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.69 ClC1=CC(I)=C(Cl)N=N1 AC3694 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.69 FC1=C(Br)C=C(S)C=C1 AT20850 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.69 FC1=C(Br)C=NC(Cl)=N1 F51201 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.69 FC1=C(I)C=C(I)C=C1 AT18537 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.69 FC1=C(S)C=C(Br)C=C1 AT20849 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.69 FC1=C(S)C=C(Cl)C=C1 AT20862 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.69 FC1=CC(Br)=C(S)C=C1 AT20837 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.69 FC1=CC(Cl)=C(I)C=N1 O11206 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.69 FC1=CC(S)=C(Br)C=C1 AT20853 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.69 N=C1NC(O)=NC=C1F H10295 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.69 NC1=C(F)C=C(Br)C=C1 36801 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.69 NC1=C(I)C=C(Br)N=N1 94920 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.69 NC1=C(I)C=C(Cl)C=C1 F13699 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.69 NC1=C(I)C=NC(F)=C1 W19621 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.69 NC1=C(O)C=CC(I)=C1 I10250 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.69 NC1=C(S)C=C(Br)C=C1 AT20886 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.69 NC1=C(S)C=CC(F)=C1 C90392 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.69 NC1=CC(Br)=C(S)C=C1 AT20835 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.69 NC1=CC(Cl)=C(S)C=C1 AT20821 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.69 NC1=CC(Cl)=NNC1=O W19056 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.69 NC1=CC(I)=C(F)C=C1 98239 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.69 NC1=CC(O)=C(Br)C=C1 C91066 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.69 NC1=CC(S)=C(Cl)C=C1 AT20816 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.69 NC1=CN=C(Cl)C=C1N SC3001 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.69 NC1=CNC(=O)C=C1Cl 94340 [0,1,0,0,0,0|2,0,1]=4 208 B9R1.69 O=C1C=C(Cl)C(Br)=CN1 C90977 [0,1,0,0,0,0|2,0,1]=4 209 B9R1.69 O=C1C=C(O)C(Cl)=CN1 43948 [0,1,0,0,0,0|2,0,1]=4 210 B9R1.69 OC1=C(Br)C=NC(F)=C1 F30342 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.69 OC1=C(I)C=C(F)N=C1 AT19114 [0,1,0,0,0,0|2,0,0]=3 212 B9R1.69 OC1=C(I)C=NC(F)=C1 E71631 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.69 OC1=CC(Br)=NC=C1Br 94341 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.69 OC1=CC(I)=C(F)C=C1 79298 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.69 OC1=CC(S)=C(O)C=C1 79473 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.69 SC1=C(Br)C=CC(Cl)=C1 AT20839 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.69 SC1=C(Cl)C=C(Br)C=C1 AT20954 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.69 SC1=CC(Cl)=C(Br)C=C1 AT20846 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.69 [BH3-]C1=C(F)C=NC(N)=C1 AC8350 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.69 [O-][N+]1=C(Cl)C=C(I)C=C1 W15291 [0,1,0,0,0,0|2,0,1]=4 221 B7R0.2 C=CC(=O)C=C(C)C F12626 [0,0,1,0,0,0|2,0,0]=3 222 B7R0.2 C\C(C=O)=C\N(C)C F13117 [0,0,1,0,0,0|3,0,0]=4 223 B7R0.4 C=C(C)CC\C=C\C T72820 [0,0,1,0,0,0|1,0,1]=3 224 B7R1.2 BrC1=CN=C(I)N1 P17529 [0,0,0,0,1,0|3,0,0]=4 225 B7R1.2 BrC1=CN=C(I)S1 89501 [0,0,0,0,1,0|3,0,0]=4 226 B7R1.2 BrC1=CSC(I)=C1 F10349 [0,0,0,0,1,0|3,0,0]=4 227 B7R1.2 BrC1=NC=C(I)S1 F16091 [0,0,0,0,1,0|3,0,0]=4 228 B7R1.2 CC1=CC(Br)=CO1 I11460 [0,0,0,0,1,0|2,0,0]=3 229 B7R1.2 CC1=CC(N)=CS1 27442 [0,0,0,0,1,0|2,0,0]=3 230 B7R1.2 CC1=CC(N)=NS1 A51223 [0,0,0,0,1,0|2,0,0]=3 231 B7R1.2 CC1=CC=C(S)S1 AT16550 [0,0,0,0,1,0|2,0,0]=3 232 B7R1.2 CC1=CN=C(C)O1 AC5679 [0,0,0,0,1,0|1,0,0]=2 233 B7R1.2 CC1=CN=C(Cl)O1 AT18559 [0,0,0,0,1,0|2,0,0]=3 234 B7R1.2 CC1=CN=C(N)N1 27977 [0,0,0,0,1,0|2,0,0]=3 235 B7R1.2 CC1=COC(Br)=N1 AT18461 [0,0,0,0,1,0|3,0,0]=4 236 B7R1.2 CC1=COC(Cl)=N1 A51023 [0,0,0,0,1,0|3,0,0]=4 237 B7R1.2 CC1=CSC(N)=C1 N12877 [0,0,0,0,1,0|2,0,0]=3 238 B7R1.2 CC1=CSC(N)=C1 S11464 [0,0,0,0,1,0|2,0,0]=3 239 B7R1.2 CC1=CSC(S)=C1 AT16548 [0,0,0,0,1,0|2,0,0]=3 240 B7R1.2 CC1=NC(Br)=NN1 98648 [0,0,0,0,1,0|3,0,0]=4 241 B7R1.2 CC1=NC(Cl)=NN1 AT12255 [0,0,0,0,1,0|3,0,0]=4 242 B7R1.2 CC1=NC(N)=CS1 AC2762 [0,0,0,0,1,0|3,0,0]=4 243 B7R1.2 CC1=NC=C(Br)O1 AT18670 [0,0,0,0,1,0|2,0,0]=3 244 B7R1.2 CC1=NC=C(Cl)S1 AT15021 [0,0,0,0,1,0|2,0,0]=3 245 B7R1.2 CC1=NC=C(N)S1 D85841 [0,0,0,0,1,0|2,0,0]=3 246 B7R1.2 CC1=NN=C(Cl)O1 AT18769 [0,0,0,0,1,0|3,0,0]=4 247 B7R1.2 CC1=NN=C(I)O1 AT18781 [0,0,0,0,1,0|3,0,0]=4 248 B7R1.2 CC1=NN=C(I)S1 AT18990 [0,0,0,0,1,0|3,0,0]=4 249 B7R1.2 CC1=NSC(I)=C1 W12926 [0,0,0,0,1,0|2,0,0]=3 250 B7R1.2 CC1=NSC(I)=N1 E72754 [0,0,0,0,1,0|3,0,0]=4 251 B7R1.2 CC1=NSC(N)=C1 C77679 [0,0,0,0,1,0|2,0,0]=3 252 B7R1.2 CN1C=C(F)C=N1 D79458 [0,0,0,0,1,0|2,0,0]=3 253 B7R1.2 CN1C=CC(N)=C1 77871 [0,0,0,0,1,0|2,0,0]=3 254 B7R1.2 CN1C=C[N+](C)=C1 91466 [0,0,0,0,1,0|2,0,0]=3 255 B7R1.2 CN1C=NC(=O)N1 AT21263 [0,0,0,0,1,0|3,0,0]=4 256 B7R1.2 CN1C=NC(Cl)=N1 AT12342 [0,0,0,0,1,0|3,0,0]=4 257 B7R1.2 CN1C=NC(N)=C1 F13269 [0,0,0,0,1,0|2,0,0]=3 258 B7R1.2 CN1C=NC(N)=N1 AT12103 [0,0,0,0,1,0|3,0,0]=4 259 B7R1.2 CN1N=CC(N)=N1 F13454 [0,0,0,0,1,0|3,0,0]=4 260 B7R1.2 ClC1=CC=C(I)S1 C74472 [0,0,0,0,1,0|3,0,0]=4 261 B7R1.2 ClC1=CSC(Br)=C1 AT16371 [0,0,0,0,1,0|3,0,0]=4 262 B7R1.2 NC1=CC(N)=NN1 F17293 [0,0,0,0,1,0|3,0,0]=4 263 B7R1.2 NC1=CC(N)=NO1 AT19796 [0,0,0,0,1,0|3,0,0]=4 264 B7R1.2 NC1=CC=C(Cl)S1 D87671 [0,0,0,0,1,0|3,0,0]=4 265 B7R1.2 NC1=CN=C(N)S1 C90580 [0,0,0,0,1,0|3,0,0]=4 266 B7R1.2 NC1=CSC(Cl)=C1 38492 [0,0,0,0,1,0|3,0,0]=4 267 B7R1.2 NC1=CSC(Cl)=C1 P13129 [0,0,0,0,1,0|3,0,0]=4 268 B7R1.2 SC1=NC=C(Cl)S1 AT15027 [0,0,0,0,1,0|3,0,0]=4 269 B7R1.2 [2H]C1=CC=C([2H])S1 D99575 [0,0,0,0,1,0|3,0,0]=4 270 B7R1.4 BrC1=C(Br)SC=N1 C11305 [0,0,0,0,1,0|3,0,0]=4 271 B7R1.4 BrC1=C(I)C=CS1 AT16380 [0,0,0,0,1,0|3,0,0]=4 272 B7R1.4 CC1=C(Br)C=NN1 O11185 [0,0,0,0,1,0|2,0,1]=4 273 B7R1.4 CC1=C(Br)NN=N1 27531 [0,0,0,0,1,0|3,0,0]=4 274 B7R1.4 CC1=C(Br)OC=C1 F53471 [0,0,0,0,1,0|2,0,0]=3 275 B7R1.4 CC1=C(C)CNC1 AT22666 [0,0,0,0,1,0|2,0,1]=4 276 B7R1.4 CC1=C(I)NN=C1 72687 [0,0,0,0,1,0|2,0,1]=4 277 B7R1.4 CC1=C(N)C=NO1 AT19805 [0,0,0,0,1,0|3,0,0]=4 278 B7R1.4 CC1=C(N)N=CN1 C15418 [0,0,0,0,1,0|2,0,0]=3 279 B7R1.4 CC1=C(N)NN=C1 P11216 [0,0,0,0,1,0|2,0,1]=4 280 B7R1.4 CC1=C(S)C=CS1 A10974 [0,0,0,0,1,0|2,0,0]=3 281 B7R1.4 CC1=CNN=C1I 72684 [0,0,0,0,1,0|2,0,0]=3 282 B7R1.4 CC1=NN=NN1C F16819 [0,0,0,0,1,0|3,0,0]=4 283 B7R1.4 CC1=NNC=C1Cl AT10929 [0,0,0,0,1,0|2,0,0]=3 284 B7R1.4 CC1=NOC=C1N AT19806 [0,0,0,0,1,0|2,0,0]=3 285 B7R1.4 CN1C=NN=C1Cl C90502 [0,0,0,0,1,0|3,0,0]=4 286 B7R1.4 CN1C=NN=C1I 98649 [0,0,0,0,1,0|3,0,0]=4 287 B7R1.4 CN1C=NN=C1N AT21330 [0,0,0,0,1,0|3,0,0]=4 288 B7R1.4 CN1N=CC=C1Cl AT15843 [0,0,0,0,1,0|2,0,0]=3 289 B7R1.4 CN1N=CN=C1Cl AT12341 [0,0,0,0,1,0|3,0,0]=4 290 B7R1.4 CN1N=CNC1=O AT21264 [0,0,0,0,1,0|3,0,0]=4 291 B7R1.4 ClC1=C(Br)N=CN1 AT15551 [0,0,0,0,1,0|3,0,0]=4 292 B7R1.4 NC1=C(Br)C=CS1 C16366 [0,0,0,0,1,0|3,0,0]=4 293 B7R1.4 NC1=C(Cl)SC=C1 AT16569 [0,0,0,0,1,0|3,0,0]=4 294 B7R1.4 NC1=CNN=C1N 37367 [0,0,0,0,1,0|3,0,0]=4 295 B7R1.4 NC1=NOC=C1Cl A50064 [0,0,0,0,1,0|3,0,0]=4 296 B6R0.4 C=C\C=C/C(=O)O C74528 [1,0,1,0,0,0|2,0,0]=4 297 B6R0.4 C=C\C=C\C(=O)O 35918 [1,0,1,0,0,0|2,0,0]=4 298 B6R0.6 O=C\C=C\C=C\[O-] 98104 [1,0,1,0,0,0|2,0,0]=4 299 B8R1.2 BrCC1=NC=CC=N1 D79434 [1,1,0,0,0,0|1,0,0]=3 300 B8R1.2 C=CC1=NC=CN=C1 T72447 [1,1,0,0,0,0|1,0,1]=4 301 B8R1.2 CNC1=CC=CN=N1 79165 [1,1,0,0,0,0|1,0,0]=3 302 B8R1.2 CSC1=NC=CC=N1 O10841 [1,1,0,0,0,0|1,0,0]=3 303 B8R1.2 ClCC1=NC=NC=C1 A10562 [1,1,0,0,0,0|1,0,0]=3 304 B8R1.2 NCC1=CC=CC=C1 T70846 [1,1,0,0,0,0|1,0,0]=3 305 B8R1.2 NNC1=CC=CN=N1 C15759 [1,1,0,0,0,0|2,0,0]=4 306 B8R1.2 NNC1=NC=NC=C1 57488 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.2 SCC1=NC=CN=C1 78318 [1,1,0,0,0,0|1,0,0]=3 308 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [1,1,0,0,0,0|2,0,0]=4 309 B8R1.3 BrC1=NN=C(I)C=C1 AT17784 [1,1,0,0,0,0|2,0,0]=4 310 B8R1.3 CC1=CN=C(C)N=C1 C15366 [1,1,0,0,0,0|1,0,0]=3 311 B8R1.3 CC1=CN=C(Cl)N=C1 F13414 [1,1,0,0,0,0|2,0,0]=4 312 B8R1.3 CC1=CN=C(I)N=C1 90174 [1,1,0,0,0,0|2,0,0]=4 313 B8R1.3 CC1=CN=C(O)N=C1 W10551 [1,1,0,0,0,0|2,0,0]=4 314 B8R1.3 CC1=NC=C(I)C=N1 82252 [1,1,0,0,0,0|1,0,0]=3 315 B8R1.3 FC1=CN=C(I)N=C1 89571 [1,1,0,0,0,0|2,0,0]=4 316 B8R1.3 FC1=NC=C(Cl)C=N1 AT18407 [1,1,0,0,0,0|2,0,0]=4 317 B8R1.3 NC1=CC=C(N)N=N1 D78632 [1,1,0,0,0,0|2,0,0]=4 318 B8R1.3 NC1=CN=C(O)C=N1 N13380 [1,1,0,0,0,0|2,0,0]=4 319 B8R1.3 NC1=CN=C(S)C=C1 AT20609 [1,1,0,0,0,0|1,0,0]=3 320 B8R1.3 NC1=NC=C(O)C=N1 D78823 [1,1,0,0,0,0|2,0,0]=4 321 B8R1.3 NC1=NC=C([S-])C=N1 F51717 [1,1,0,0,0,0|2,0,0]=4 322 B8R1.3 NC1=NNC(=O)C=C1 AT17777 [1,1,0,0,0,0|2,0,0]=4 323 B8R1.3 O=C1C=CC(=O)N=N1 83325 [1,1,0,0,0,0|2,0,0]=4 324 B8R1.3 O=C1C=CC(F)=NN1 AT24740 [1,1,0,0,0,0|2,0,0]=4 325 B8R1.3 S=C1N=CC(Cl)=CN1 O11414 [1,1,0,0,0,0|2,0,0]=4 326 B8R1.3 [2H]C1=CC=C(Cl)C=C1 D98354 [1,1,0,0,0,0|2,0,0]=4 327 B8R1.3 [2H]C1=CC=C([2H])C=C1 D99669 [1,1,0,0,0,0|2,0,0]=4 328 B8R1.5 BrC1=C(Br)C=NN=C1 AT11972 [1,1,0,0,0,0|2,0,0]=4 329 B8R1.5 BrC1=CN=CN=C1I P11647 [1,1,0,0,0,0|2,0,0]=4 330 B8R1.5 CC1=CC=NNC1=O 20227 [1,1,0,0,0,0|1,0,0]=3 331 B8R1.5 CC1=CN=CN=C1Cl 72600 [1,1,0,0,0,0|2,0,0]=4 332 B8R1.5 CC1=CN=NC=C1C C15709 [1,1,0,0,0,0|1,0,0]=3 333 B8R1.5 CC1=NC=CN=C1I P10643 [1,1,0,0,0,0|1,0,0]=3 334 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [1,1,0,0,0,0|0,0,1]=3 335 B8R1.5 C[C@H]1C=NC=CC1=S AT18149 [1,1,0,0,0,0|1,0,1]=4 336 B8R1.5 ClC1=C(Cl)C=NN=C1 S10980 [1,1,0,0,0,0|2,0,0]=4 337 B8R1.5 FC1=C(F)C=NC=C1 O10910 [1,1,0,0,0,0|1,0,0]=3 338 B8R1.5 FC1=CC=CN=C1S AT18759 [1,1,0,0,0,0|1,0,0]=3 339 B8R1.5 FC1=NC=CN=C1I D76573 [1,1,0,0,0,0|2,0,0]=4 340 B8R1.5 IC1=NC=CN=C1I N13386 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.5 NC1=C(S)C=NC=C1 P11896 [1,1,0,0,0,0|1,0,0]=3 342 B8R1.5 O=C1NC=NC=C1Cl P12334 [1,1,0,0,0,0|2,0,0]=4 343 B8R1.5 O=C1NC=NC=C1I P13009 [1,1,0,0,0,0|2,0,0]=4 344 B8R1.5 OC1=C(Cl)C=NC=N1 25825 [1,1,0,0,0,0|2,0,0]=4 345 B8R1.5 OC1=C(O)C=NN=C1 S10982 [1,1,0,0,0,0|2,0,0]=4 346 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [1,1,0,0,0,0|2,0,0]=4 347 B8R1.5 S=C1C=CNC=C1Cl AT18152 [1,1,0,0,0,0|1,0,1]=4 348 B8R1.5 [2H]C1=C([2H])C=CC=C1 D97880 [1,1,0,0,0,0|2,0,0]=4 349 B8R1.5 [O-][N+]1=C([S-])C=CC=C1 S12409 [1,1,0,0,0,0|1,0,1]=4 350 B8R1.1 BrCC1=CC(Br)=NO1 69283 [0,1,0,0,1,0|2,0,0]=4 351 B8R1.1 BrCC1=CC=C(Br)O1 55253 [0,1,0,0,1,0|2,0,0]=4 352 B8R1.1 BrCC1=CC=C(Br)S1 AC9027 [0,1,0,0,1,0|2,0,0]=4 353 B8R1.1 BrCC1=CSC(Br)=C1 AT16378 [0,1,0,0,1,0|2,0,0]=4 354 B8R1.1 BrCC1=NC=C(Br)S1 AT14726 [0,1,0,0,1,0|2,0,0]=4 355 B8R1.1 CC1=CC(CCl)=NN1 AT15945 [0,1,0,0,1,0|1,0,0]=3 356 B8R1.1 CC1=CC(CN)=CO1 AT17525 [0,1,0,0,1,0|1,0,0]=3 357 B8R1.1 CC1=CC(CO)=CO1 AT17479 [0,1,0,0,1,0|1,0,0]=3 358 B8R1.1 CC1=CC(CO)=CS1 AT16765 [0,1,0,0,1,0|1,0,0]=3 359 B8R1.1 CC1=CC(CO)=NN1 O10131 [0,1,0,0,1,0|1,0,0]=3 360 B8R1.1 CC1=CC(CO)=NS1 AT21126 [0,1,0,0,1,0|1,0,0]=3 361 B8R1.1 CC1=CN=C(C=O)O1 AT17128 [0,1,0,0,1,0|1,0,1]=4 362 B8R1.1 CC1=CN=C(CCl)O1 AT18576 [0,1,0,0,1,0|1,0,0]=3 363 B8R1.1 CC1=CN=C(CN)O1 P18975 [0,1,0,0,1,0|1,0,0]=3 364 B8R1.1 CC1=CN=C(CN)S1 32702 [0,1,0,0,1,0|1,0,0]=3 365 B8R1.1 CC1=CN=C(CO)N1 P12877 [0,1,0,0,1,0|1,0,0]=3 366 B8R1.1 CC1=CN=C(CO)O1 AT18512 [0,1,0,0,1,0|1,0,0]=3 367 B8R1.1 CC1=COC(C#N)=C1 AT17407 [0,1,0,0,1,0|1,0,1]=4 368 B8R1.1 CC1=COC(CO)=C1 AT17124 [0,1,0,0,1,0|1,0,0]=3 369 B8R1.1 CC1=NC(CCl)=CN1 AT15569 [0,1,0,0,1,0|1,0,1]=4 370 B8R1.1 CC1=NC(CN)=CN1 AT15472 [0,1,0,0,1,0|1,0,1]=4 371 B8R1.1 CC1=NC(CN)=CO1 C71257 [0,1,0,0,1,0|2,0,0]=4 372 B8R1.1 CC1=NC(CN)=CO1 D83900 [0,1,0,0,1,0|2,0,0]=4 373 B8R1.1 CC1=NC(CN)=CS1 D86402 [0,1,0,0,1,0|2,0,0]=4 374 B8R1.1 CC1=NC=C(CCl)O1 C77476 [0,1,0,0,1,0|1,0,0]=3 375 B8R1.1 CC1=NC=C(CCl)S1 AT15077 [0,1,0,0,1,0|1,0,0]=3 376 B8R1.1 CC1=NC=C(CO)N1 W10507 [0,1,0,0,1,0|1,0,0]=3 377 B8R1.1 CC1=NC=C(CO)O1 F12980 [0,1,0,0,1,0|1,0,0]=3 378 B8R1.1 CC1=NN=C(CBr)O1 AT18780 [0,1,0,0,1,0|2,0,0]=4 379 B8R1.1 CC1=NN=C(CN)S1 AT18920 [0,1,0,0,1,0|2,0,0]=4 380 B8R1.1 CC1=NNC(C=O)=C1 79805 [0,1,0,0,1,0|1,0,1]=4 381 B8R1.1 CC1=NNC(CCl)=N1 AT12311 [0,1,0,0,1,0|2,0,0]=4 382 B8R1.1 CC1=NNC(CN)=C1 AC1083 [0,1,0,0,1,0|1,0,0]=3 383 B8R1.1 CC1=NNC(CO)=N1 AT12312 [0,1,0,0,1,0|2,0,0]=4 384 B8R1.1 CC1=NOC(CN)=C1 A10590 [0,1,0,0,1,0|1,0,0]=3 385 B8R1.1 CC1=NSC(C=O)=C1 C16590 [0,1,0,0,1,0|1,0,1]=4 386 B8R1.1 CC1=NSC(CN)=C1 AT21220 [0,1,0,0,1,0|1,0,0]=3 387 B8R1.1 CCC1=CC=C(S)S1 AT16555 [0,1,0,0,1,0|2,0,0]=4 388 B8R1.1 CCC1=CN=C(Br)S1 56511 [0,1,0,0,1,0|2,0,0]=4 389 B8R1.1 CCC1=CN=C(S)S1 E72343 [0,1,0,0,1,0|2,0,0]=4 390 B8R1.1 CCC1=NN(C)C=C1 C91459 [0,1,0,0,1,0|2,0,0]=4 391 B8R1.1 CCN1C=C(I)C=N1 77861 [0,1,0,0,1,0|2,0,0]=4 392 B8R1.1 CCN1C=NC(I)=C1 S10075 [0,1,0,0,1,0|2,0,0]=4 393 B8R1.1 CN1C=C(CBr)C=N1 P19158 [0,1,0,0,1,0|1,0,0]=3 394 B8R1.1 CN1C=C(CCl)N=N1 AT26665 [0,1,0,0,1,0|2,0,0]=4 395 B8R1.1 CN1C=C(CCl)N=N1 AT26915 [0,1,0,0,1,0|2,0,0]=4 396 B8R1.1 CN1C=CC(CBr)=N1 AT15924 [0,1,0,0,1,0|2,0,0]=4 397 B8R1.1 CN1C=CC(CCl)=N1 AT15950 [0,1,0,0,1,0|2,0,0]=4 398 B8R1.1 CN1C=CC(CN)=C1 AT16243 [0,1,0,0,1,0|1,0,0]=3 399 B8R1.1 CN1C=NC(CBr)=C1 O11081 [0,1,0,0,1,0|1,0,0]=3 400 B8R1.1 CN1C=NC(CN)=N1 P12179 [0,1,0,0,1,0|2,0,0]=4 401 B8R1.1 CN1N=CC(CBr)=N1 95943 [0,1,0,0,1,0|2,0,0]=4 402 B8R1.1 CN1N=CC(CO)=N1 95942 [0,1,0,0,1,0|2,0,0]=4 403 B8R1.1 CNC1=NC=C(Br)S1 AT14732 [0,1,0,0,1,0|2,0,0]=4 404 B8R1.1 CNC1=NN(C)C=C1 AT14076 [0,1,0,0,1,0|2,0,0]=4 405 B8R1.1 CNC1=NNC(Br)=C1 57327 [0,1,0,0,1,0|2,0,0]=4 406 B8R1.1 CNC1=NNC(C)=C1 57298 [0,1,0,0,1,0|1,0,0]=3 407 B8R1.1 CNC1=NOC(C)=C1 AT19802 [0,1,0,0,1,0|1,0,0]=3 408 B8R1.1 COC1=CC(N)=NN1 76300 [0,1,0,0,1,0|2,0,0]=4 409 B8R1.1 COC1=CC=C(Br)S1 N10622 [0,1,0,0,1,0|2,0,0]=4 410 B8R1.1 COC1=CN(C)N=C1 C91427 [0,1,0,0,1,0|1,0,0]=3 411 B8R1.1 COC1=NN(C)C=C1 AT24917 [0,1,0,0,1,0|2,0,0]=4 412 B8R1.1 COC1=NNC(Br)=C1 P13052 [0,1,0,0,1,0|2,0,0]=4 413 B8R1.1 COC1=NNC(C)=C1 E71889 [0,1,0,0,1,0|1,0,0]=3 414 B8R1.1 ClC1=CC(CBr)=CS1 AT16579 [0,1,0,0,1,0|2,0,0]=4 415 B8R1.1 ClC1=CC=C(CBr)S1 AT16577 [0,1,0,0,1,0|2,0,0]=4 416 B8R1.1 ClC1=NC=C(CI)S1 AC9205 [0,1,0,0,1,0|2,0,0]=4 417 B8R1.1 ClCC1=CC(Br)=CS1 F30091 [0,1,0,0,1,0|2,0,0]=4 418 B8R1.1 ClCC1=CC(Br)=NO1 69282 [0,1,0,0,1,0|2,0,0]=4 419 B8R1.1 ClCC1=CC=C(Br)S1 AT16373 [0,1,0,0,1,0|2,0,0]=4 420 B8R1.1 ClCC1=CSC(Br)=C1 AT16374 [0,1,0,0,1,0|2,0,0]=4 421 B8R1.1 ClCC1=NC=C(Br)S1 AT14714 [0,1,0,0,1,0|2,0,0]=4 422 B8R1.1 ClCC1=NC=C(Cl)S1 AT15029 [0,1,0,0,1,0|2,0,0]=4 423 B8R1.1 NCC1=CC(Br)=CN1 AT16225 [0,1,0,0,1,0|1,0,1]=4 424 B8R1.1 NCC1=CC(Br)=NO1 25297 [0,1,0,0,1,0|2,0,0]=4 425 B8R1.1 NCC1=CC(Br)=NO1 69284 [0,1,0,0,1,0|2,0,0]=4 426 B8R1.1 NCC1=CC(Cl)=CO1 50492 [0,1,0,0,1,0|2,0,0]=4 427 B8R1.1 NCC1=CC=C(Br)O1 79914 [0,1,0,0,1,0|2,0,0]=4 428 B8R1.1 NCC1=CC=C(Br)O1 94512 [0,1,0,0,1,0|2,0,0]=4 429 B8R1.1 NCC1=CC=C(Cl)S1 P19111 [0,1,0,0,1,0|2,0,0]=4 430 B8R1.1 NCC1=CSC(Br)=C1 AT16376 [0,1,0,0,1,0|2,0,0]=4 431 B8R1.1 NCC1=NC=C(Br)S1 P12853 [0,1,0,0,1,0|2,0,0]=4 432 B8R1.1 NCC1=NC=C(Cl)S1 P11510 [0,1,0,0,1,0|2,0,0]=4 433 B8R1.1 OCC1=CC(Cl)=CS1 37631 [0,1,0,0,1,0|2,0,0]=4 434 B8R1.1 OCC1=CSC(Br)=C1 AT16369 [0,1,0,0,1,0|2,0,0]=4 435 B8R1.1 OCC1=NC=C(Br)N1 P17528 [0,1,0,0,1,0|2,0,0]=4 436 B8R1.1 OCC1=NNC(O)=C1 C90528 [0,1,0,0,1,0|2,0,0]=4 437 B8R1.18 CC1=C(C)OC(Br)=N1 AT18457 [0,1,0,0,1,0|2,0,0]=4 438 B8R1.18 CC1=C(C)OC(S)=N1 AT18536 [0,1,0,0,1,0|2,0,0]=4 439 B8R1.18 CC1=C(C)SC(Br)=C1 95200 [0,1,0,0,1,0|2,0,0]=4 440 B8R1.18 CC1=C(Cl)N=C(Cl)S1 O10590 [0,1,0,0,1,0|2,0,0]=4 441 B8R1.18 CC1=CC(C)=C(S)S1 AT16553 [0,1,0,0,1,0|1,0,0]=3 442 B8R1.18 CC1=CC(I)=C(C)S1 CS2241 [0,1,0,0,1,0|1,0,0]=3 443 B8R1.18 CC1=CN(C)C(Br)=N1 71593 [0,1,0,0,1,0|1,0,0]=3 444 B8R1.18 CC1=NN(C)C(Br)=N1 AT12326 [0,1,0,0,1,0|2,0,0]=4 445 B8R1.18 CC1=NN(C)C(Cl)=N1 AT12325 [0,1,0,0,1,0|2,0,0]=4 446 B8R1.18 CC1=NN(C)C(I)=C1 71879 [0,1,0,0,1,0|2,0,0]=4 447 B8R1.18 CC1=NN(C)C(N)=N1 AT12327 [0,1,0,0,1,0|2,0,0]=4 448 B8R1.18 CC1=NN(C)C=C1N CL3439 [0,1,0,0,1,0|2,0,0]=4 449 B8R1.18 CN1C=C(Br)C(O)=N1 AT14036 [0,1,0,0,1,0|2,0,0]=4 450 B8R1.18 CN1C=C(Cl)C(N)=N1 AT14074 [0,1,0,0,1,0|2,0,0]=4 451 B8R1.18 CN1C=C(I)C(O)=N1 AT14039 [0,1,0,0,1,0|2,0,0]=4 452 B8R1.18 CN1C=C(N)C(Br)=N1 AT13631 [0,1,0,0,1,0|2,0,0]=4 453 B8R1.50 CC1=C(C)C(O)=NO1 AT21054 [0,1,0,0,1,0|2,0,0]=4 454 B8R1.50 CC1=C(Cl)C(N)=NN1 AT25139 [0,1,0,0,1,0|2,0,0]=4 455 B8R1.50 CC1=C(Cl)C(N)=NO1 AT19795 [0,1,0,0,1,0|2,0,0]=4 456 B8R1.50 CC1=C(N)C=NN1C C10730 [0,1,0,0,1,0|2,0,0]=4 457 B8R1.50 CC1=CC=C(C)N1N AT25958 [0,1,0,0,1,0|1,0,0]=3 458 B8R1.50 CC1=NOC(C)=C1Cl D76793 [0,1,0,0,1,0|1,0,0]=3 459 B8R1.50 CC1=NOC(N)=C1I AT19824 [0,1,0,0,1,0|2,0,0]=4 460 B8R1.50 CC1=NSC(N)=C1Br AT21089 [0,1,0,0,1,0|2,0,0]=4 461 B8R1.50 CC1=NSC(N)=C1Cl AT21116 [0,1,0,0,1,0|2,0,0]=4 462 B8R1.50 CC1=NSC(N)=C1I AT21119 [0,1,0,0,1,0|2,0,0]=4 463 B8R1.50 CN1C=NC(Cl)=C1Cl D92838 [0,1,0,0,1,0|2,0,0]=4 464 B8R1.50 CN1N=CC(I)=C1N AT14123 [0,1,0,0,1,0|2,0,0]=4 465 B8R1.50 CN1N=CC(N)=C1Br AT13634 [0,1,0,0,1,0|2,0,0]=4 466 B8R1.50 CN1N=CC(N)=C1Cl AT25123 [0,1,0,0,1,0|2,0,0]=4 467 B8R1.50 CN1N=CC(N)=C1N A10126 [0,1,0,0,1,0|2,0,0]=4 468 B8R1.11 C=CN1C=CN=C1C T72225 [0,1,0,0,1,0|1,0,1]=4 469 B8R1.11 CC1=C(C#N)C=CO1 AT17522 [0,1,0,0,1,0|1,0,1]=4 470 B8R1.11 CC1=C(C#N)N=CO1 58494 [0,1,0,0,1,0|1,0,1]=4 471 B8R1.11 CC1=C(C#N)SC=N1 AT15031 [0,1,0,0,1,0|1,0,1]=4 472 B8R1.11 CC1=C(C=O)C=CS1 AT16762 [0,1,0,0,1,0|1,0,1]=4 473 B8R1.11 CC1=C(C=O)N=CO1 AT18594 [0,1,0,0,1,0|1,0,1]=4 474 B8R1.11 CC1=C(CBr)SC=N1 AT24615 [0,1,0,0,1,0|1,0,0]=3 475 B8R1.11 CC1=C(CCl)C=NO1 AC2811 [0,1,0,0,1,0|2,0,0]=4 476 B8R1.11 CC1=C(CCl)N=CS1 AT15300 [0,1,0,0,1,0|1,0,0]=3 477 B8R1.11 CC1=C(CCl)OC=N1 C11081 [0,1,0,0,1,0|1,0,0]=3 478 B8R1.11 CC1=C(CCl)SC=N1 74336 [0,1,0,0,1,0|1,0,0]=3 479 B8R1.11 CC1=C(CCl)SC=N1 AT15073 [0,1,0,0,1,0|1,0,0]=3 480 B8R1.11 CC1=C(CN)C=CO1 AT17524 [0,1,0,0,1,0|1,0,0]=3 481 B8R1.11 CC1=C(CN)C=CO1 AT17541 [0,1,0,0,1,0|1,0,0]=3 482 B8R1.11 CC1=C(CN)C=CS1 AT16801 [0,1,0,0,1,0|1,0,0]=3 483 B8R1.11 CC1=C(CN)C=NO1 72465 [0,1,0,0,1,0|2,0,0]=4 484 B8R1.11 CC1=C(CN)C=NO1 W10068 [0,1,0,0,1,0|2,0,0]=4 485 B8R1.11 CC1=C(CN)N=CN1 AT15470 [0,1,0,0,1,0|1,0,0]=3 486 B8R1.11 CC1=C(CN)N=CO1 AT18605 [0,1,0,0,1,0|1,0,0]=3 487 B8R1.11 CC1=C(CN)NC=N1 F19544 [0,1,0,0,1,0|1,0,0]=3 488 B8R1.11 CC1=C(CN)OC=C1 AT17196 [0,1,0,0,1,0|1,0,0]=3 489 B8R1.11 CC1=C(CN)OC=N1 AT18687 [0,1,0,0,1,0|1,0,0]=3 490 B8R1.11 CC1=C(CN)SC=C1 71361 [0,1,0,0,1,0|1,0,0]=3 491 B8R1.11 CC1=C(CO)N=CS1 AT21447 [0,1,0,0,1,0|1,0,0]=3 492 B8R1.11 CC1=C(CO)ON=C1 A51017 [0,1,0,0,1,0|2,0,0]=4 493 B8R1.11 CC1=C(CO)SC=N1 74180 [0,1,0,0,1,0|1,0,0]=3 494 B8R1.11 CC1=CNN=C1CCl AT15943 [0,1,0,0,1,0|1,0,0]=3 495 B8R1.11 CC1=CON=C1C#N 95086 [0,1,0,0,1,0|1,0,1]=4 496 B8R1.11 CC1=CON=C1CO 95084 [0,1,0,0,1,0|1,0,0]=3 497 B8R1.11 CC1=CSC=C1CN AT16790 [0,1,0,0,1,0|2,0,0]=4 498 B8R1.11 CC1=NOC=C1CCl AT19032 [0,1,0,0,1,0|1,0,0]=3 499 B8R1.11 CC1=NON=C1CBr D74168 [0,1,0,0,1,0|2,0,0]=4 500 B8R1.11 CC1=NON=C1CCl 70874 [0,1,0,0,1,0|2,0,0]=4 501 B8R1.11 CC1=NON=C1CO D74169 [0,1,0,0,1,0|2,0,0]=4 502 B8R1.11 CC1=NSC=C1CO AT21132 [0,1,0,0,1,0|1,0,0]=3 503 B8R1.11 CCC1=C(N)SC=N1 W15853 [0,1,0,0,1,0|2,0,0]=4 504 B8R1.11 CCC1=CNN=C1N 24047 [0,1,0,0,1,0|2,0,0]=4 505 B8R1.11 CCC1=NNC=C1I I11378 [0,1,0,0,1,0|2,0,0]=4 506 B8R1.11 CCC1=NNC=C1N AT14204 [0,1,0,0,1,0|2,0,0]=4 507 B8R1.11 CCN1C=CN=C1C F16031 [0,1,0,0,1,0|1,0,0]=3 508 B8R1.11 CCN1C=CN=C1N AT15605 [0,1,0,0,1,0|2,0,0]=4 509 B8R1.11 CCN1N=CC=C1Br F17300 [0,1,0,0,1,0|2,0,0]=4 510 B8R1.11 CCN1N=CC=C1Cl AT15849 [0,1,0,0,1,0|2,0,0]=4 511 B8R1.11 CCN1N=CC=C1O AT14056 [0,1,0,0,1,0|2,0,0]=4 512 B8R1.11 CN1C=CN=C1CBr AT15680 [0,1,0,0,1,0|1,0,0]=3 513 B8R1.11 CN1C=CN=C1CN AT15625 [0,1,0,0,1,0|1,0,0]=3 514 B8R1.11 CN1C=NN=C1CCl 94779 [0,1,0,0,1,0|2,0,0]=4 515 B8R1.11 CN1C=NN=C1CN F10337 [0,1,0,0,1,0|2,0,0]=4 516 B8R1.11 CN1N=CC=C1CBr AT15925 [0,1,0,0,1,0|1,0,0]=3 517 B8R1.11 CN1N=CN=C1CO AT21385 [0,1,0,0,1,0|2,0,0]=4 518 B8R1.11 CN1N=CN=C1CO AT21388 [0,1,0,0,1,0|2,0,0]=4 519 B8R1.11 CN1N=NC=C1CN AT13362 [0,1,0,0,1,0|2,0,0]=4 520 B8R1.11 CNC1=CC=NN1C AT14117 [0,1,0,0,1,0|1,0,0]=3 521 B8R1.11 CNC1=CSN=C1C AT21113 [0,1,0,0,1,0|1,0,0]=3 522 B8R1.11 CNC1=NC=CN1C AT15602 [0,1,0,0,1,0|1,0,0]=3 523 B8R1.11 CNC1=NN=CN1C AT21331 [0,1,0,0,1,0|2,0,0]=4 524 B8R1.11 CNC1=NNC=C1C 57305 [0,1,0,0,1,0|1,0,0]=3 525 B8R1.11 COC1=C(Br)C=CS1 AT16340 [0,1,0,0,1,0|2,0,0]=4 526 B8R1.11 COC1=C(Br)SC=N1 AT14705 [0,1,0,0,1,0|2,0,0]=4 527 B8R1.11 COC1=C(C)C=CS1 91670 [0,1,0,0,1,0|1,0,0]=3 528 B8R1.11 C[S@H]1C=CC=C1CN AT17306 [0,1,0,0,1,0|2,0,0]=4 529 B8R1.11 ClC1=C(CBr)SC=N1 AT15037 [0,1,0,0,1,0|2,0,0]=4 530 B8R1.11 ClCC1=C(Br)C=CS1 AT16718 [0,1,0,0,1,0|2,0,0]=4 531 B8R1.11 ClCC1=C(Br)SC=N1 AT14723 [0,1,0,0,1,0|2,0,0]=4 532 B8R1.11 ClCC1=C(Cl)C=CS1 AT16716 [0,1,0,0,1,0|2,0,0]=4 533 B8R1.11 ClCC1=C(Cl)SC=C1 AT17068 [0,1,0,0,1,0|2,0,0]=4 534 B8R1.11 NCC1=C(Br)C=CS1 P10346 [0,1,0,0,1,0|2,0,0]=4 535 B8R1.11 OCC1=C(Cl)N=CS1 AT14780 [0,1,0,0,1,0|2,0,0]=4 536 B8R1.11 OCC1=C(Cl)SC=C1 AT16564 [0,1,0,0,1,0|2,0,0]=4 537 B10R1.2 CC1=C(Br)C=CN=C1NN AT18414 [0,2,0,0,0,0|2,0,0]=4 538 B10R1.2 CC1=C(C#N)C=CN=C1F 91188 [0,2,0,0,0,0|1,0,1]=4 539 B10R1.2 CC1=C(F)C=CC=C1CN N12172 [0,2,0,0,0,0|2,0,0]=4 540 B10R1.2 CC1=C(O)C=CC=C1CO 56654 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.2 CC1=CC=CC(C#N)=C1S AT20894 [0,2,0,0,0,0|1,0,1]=4 542 B10R1.2 CC1=CC=CC(CN)=C1O N10504 [0,2,0,0,0,0|1,0,0]=3 543 B10R1.2 CCC1=C(Br)C(C)=CC=C1 D85933 [0,2,0,0,0,0|1,0,0]=3 544 B10R1.2 CCC1=CC=CC(Cl)=C1N W13802 [0,2,0,0,0,0|2,0,0]=4 545 B10R1.2 CCC1=NC=NC(Cl)=C1Br F13813 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.2 CCC1=NC=NC(O)=C1Br F13817 [0,2,0,0,0,0|2,0,0]=4 547 B10R1.2 CCN1C=CN=C(N)C1=O AT13891 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.2 CN1C=CC=C(CN)C1=O P11876 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.2 CNC1=CC=CC(F)=C1N AC7422 [0,2,0,0,0,0|2,0,0]=4 550 B10R1.2 CNC1=NC=CC(Cl)=C1N C92709 [0,2,0,0,0,0|1,0,0]=3 551 B10R1.2 CNC1=NC=NC(Cl)=C1Br N10078 [0,2,0,0,0,0|2,0,0]=4 552 B10R1.2 COC1=C(Cl)C(N)=NC=N1 AT18433 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.2 COC1=C(Cl)C(O)=CC=N1 FD10667 [0,2,0,0,0,0|1,0,0]=3 554 B10R1.2 COC1=C(N)C(N)=CC=C1 F52601 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.2 COC1=C(O)C(N)=CC=C1 O10655 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.2 COC1=CC=CC(Cl)=C1N CL9246 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.2 COC1=CC=CC(S)=C1N AT19649 [0,2,0,0,0,0|2,0,0]=4 558 B10R1.2 COC1=CC=NC(F)=C1Cl 91691 [0,2,0,0,0,0|1,0,0]=3 559 B10R1.2 COC1=CC=NC(N)=C1I C16820 [0,2,0,0,0,0|1,0,0]=3 560 B10R1.2 COC1=NC=CC(F)=C1N F53634 [0,2,0,0,0,0|1,0,0]=3 561 B10R1.2 COC1=NC=CC(I)=C1F N11837 [0,2,0,0,0,0|1,0,0]=3 562 B10R1.2 COC1=NC=NC(Cl)=C1Br C15802 [0,2,0,0,0,0|2,0,0]=4 563 B10R1.2 COC1=NC=NC(O)=C1C C14793 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.2 CSC1=C(C)C(N)=CC=C1 AT20858 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.2 CSC1=CC=CC(Br)=C1C AC7030 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.2 FC1=C(CBr)N=CN=C1Br AT18360 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.2 N#CC1=C(Cl)C(Cl)=CC=N1 AT13868 [0,2,0,0,0,0|1,0,1]=4 568 B10R1.2 NC1=C(C=O)C=CN=C1Cl AT14240 [0,2,0,0,0,0|1,0,1]=4 569 B10R1.2 NCC1=CC=CC(F)=C1O N12979 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.2 NCC1=CC=CC(I)=C1Cl C72087 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.2 O=CC1=NC=CC(Br)=C1Cl F53264 [0,2,0,0,0,0|1,0,1]=4 572 B10R1.2 O=CC1=NC=CC(Cl)=C1F C14479 [0,2,0,0,0,0|1,0,1]=4 573 B10R1.2 OCC1=CC=CC(Cl)=C1F A12360 [0,2,0,0,0,0|2,0,0]=4 574 B10R1.8 C#CC1=NC(C)=CC(C)=N1 AT18277 [0,2,0,0,0,0|1,0,0]=3 575 B10R1.8 CC1=CC(C)=NC(C=O)=N1 P20555 [0,2,0,0,0,0|1,0,0]=3 576 B10R1.8 CC1=CC(C)=NC(CN)=N1 79538 [0,2,0,0,0,0|1,0,0]=3 577 B10R1.8 CC1=CC(CCl)=CC(Cl)=N1 57849 [0,2,0,0,0,0|0,0,0]=2 578 B10R1.8 CC1=CC(CCl)=NC(C)=C1 O10512 [0,2,0,0,0,0|0,0,0]=2 579 B10R1.8 CC1=CC(CN)=CC(Cl)=N1 57851 [0,2,0,0,0,0|0,0,0]=2 580 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 C77358 [0,2,0,0,0,0|1,0,0]=3 581 B10R1.8 CC1=NC(N)=NC(NN)=C1 H10086 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.8 CCC1=CC(C)=CC(Br)=C1 C90915 [0,2,0,0,0,0|1,0,0]=3 583 B10R1.8 CCC1=CC(Cl)=NC(C)=N1 76084 [0,2,0,0,0,0|1,0,0]=3 584 B10R1.8 CCC1=CC(N)=NC(C)=N1 CS1422 [0,2,0,0,0,0|1,0,0]=3 585 B10R1.8 CNC1=CC(C)=NC(C)=C1 78071 [0,2,0,0,0,0|0,0,0]=2 586 B10R1.8 CNC1=CC(F)=NC(F)=C1 56960 [0,2,0,0,0,0|1,0,0]=3 587 B10R1.8 CNC1=CC(I)=CC(Br)=C1 F14267 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.8 CNC1=NC(C)=CC(Cl)=N1 C80055 [0,2,0,0,0,0|1,0,0]=3 589 B10R1.8 COC1=CC(Br)=NC(F)=C1 P18763 [0,2,0,0,0,0|1,0,0]=3 590 B10R1.8 COC1=CC(Br)=NC(O)=C1 AT10291 [0,2,0,0,0,0|1,0,0]=3 591 B10R1.8 COC1=CC(I)=CC(Cl)=N1 N10142 [0,2,0,0,0,0|1,0,0]=3 592 B10R1.8 COC1=CC(I)=CC(F)=C1 AT12533 [0,2,0,0,0,0|2,0,0]=4 593 B10R1.8 COC1=C[C@@H](C)C=C(C)C1 AC6323 [0,2,0,0,0,0|1,0,1]=4 594 B10R1.8 COC1=NC(C)=CC(C)=N1 H10099 [0,2,0,0,0,0|1,0,0]=3 595 B10R1.8 COC1=NC(I)=CC(I)=N1 97034 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.8 COC1=NC(N)=NC(O)=C1 N11825 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.8 COC1=NC(O)=CC(O)=N1 23223 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.8 COC1=NC(O)=NC(C)=C1 C16076 [0,2,0,0,0,0|1,0,0]=3 599 B10R1.8 CSC1=NC(Cl)=NC(Cl)=C1 AT23721 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.8 FCC1=CC(Br)=CC(F)=C1 94378 [0,2,0,0,0,0|2,0,0]=4 601 B10R1.8 FCC1=CC(I)=CC(F)=C1 94383 [0,2,0,0,0,0|2,0,0]=4 602 B10R1.8 NCC1=CC(Cl)=CC(Cl)=N1 C91444 [0,2,0,0,0,0|1,0,0]=3 603 B10R1.8 NCC1=CC(Cl)=CC(Cl)=N1 D81608 [0,2,0,0,0,0|1,0,0]=3 604 B10R1.8 O=CC1=CC(F)=CC(Br)=N1 N10043 [0,2,0,0,0,0|1,0,1]=4 605 B10R1.8 OCC1=CC(I)=CC(F)=C1 94382 [0,2,0,0,0,0|2,0,0]=4 606 B10R1.8 OCC1=CC(S)=CC(S)=C1 F19554 [0,2,0,0,0,0|2,0,0]=4 607 B10R1.8 OCC1=NC(O)=CC(O)=N1 AT21036 [0,2,0,0,0,0|2,0,0]=4 608 B10R1.10 CC#CC1=CC(Br)=NC=C1 93991 [0,2,0,0,0,0|1,0,0]=3 609 B10R1.10 CC#CC1=CC(Cl)=NC=C1 94009 [0,2,0,0,0,0|1,0,0]=3 610 B10R1.10 CC1=CC(CC#N)=NN=C1 C92375 [0,2,0,0,0,0|1,0,0]=3 611 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [0,2,0,0,0,0|1,0,0]=3 612 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.10 CC1=NC=CC(CNN)=C1 F52070 [0,2,0,0,0,0|0,0,0]=2 615 B10R1.10 CC1=NC=CC(CNN)=C1 F52466 [0,2,0,0,0,0|0,0,0]=2 616 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.10 CCOC1=NC(N)=NC=C1 AT18300 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.10 CCOC1=NC=CC(Br)=N1 70402 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.10 CCOC1=NC=CC(Cl)=N1 I11353 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.10 CNCC1=CC(Cl)=NC=C1 AT26616 [0,2,0,0,0,0|1,0,0]=3 625 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.10 CNCC1=NC=CC(Cl)=C1 CS1254 [0,2,0,0,0,0|1,0,0]=3 627 B10R1.10 COCC1=CC(N)=CC=C1 30379 [0,2,0,0,0,0|2,0,0]=4 628 B10R1.10 COCC1=NC=NC(N)=C1 92042 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.10 N#CCC1=CC(N)=NC=C1 AT18208 [0,2,0,0,0,0|1,0,0]=3 631 B10R1.10 N#CCC1=CC=NC(Cl)=N1 F30312 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.10 N#CCC1=NC(N)=CC=N1 AT18270 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.10 NC1=CC(CCO)=NC=N1 AC8190 [0,2,0,0,0,0|2,0,0]=4 634 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [0,2,0,0,0,0|2,0,0]=4 635 B10R1.10 NNCC1=CC=CC(Cl)=C1 P15270 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.10 NNCC1=CC=CC(O)=C1 D87672 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.30 BrCC1=C(Br)C=CC(Br)=C1 68639 [0,2,0,0,0,0|2,0,0]=4 639 B10R1.30 BrCC1=C(Br)C=CC(I)=C1 CL9154 [0,2,0,0,0,0|2,0,0]=4 640 B10R1.30 BrCC1=C(I)C=CC(Br)=C1 CL9155 [0,2,0,0,0,0|2,0,0]=4 641 B10R1.30 C#CC1=CC(Cl)=NC=C1F C14360 [0,2,0,0,0,0|1,0,1]=4 642 B10R1.30 CC1=C(CBr)C=C(Cl)C=C1 73456 [0,2,0,0,0,0|2,0,0]=4 643 B10R1.30 CC1=C(CO)C=C(O)C=C1 AC3540 [0,2,0,0,0,0|2,0,0]=4 644 B10R1.30 CC1=CC(C#N)=C(S)C=C1 AT20893 [0,2,0,0,0,0|1,0,1]=4 645 B10R1.30 CC1=CC(C=O)=C(Br)C=N1 D72245 [0,2,0,0,0,0|0,0,1]=3 646 B10R1.30 CC1=CC(C=O)=C(C)N=N1 AT17926 [0,2,0,0,0,0|1,0,1]=4 647 B10R1.30 CC1=CC(CBr)=C(F)C=C1 98276 [0,2,0,0,0,0|1,0,0]=3 648 B10R1.30 CC1=CC(CO)=C(I)C=C1 H11526 [0,2,0,0,0,0|1,0,0]=3 649 B10R1.30 CC1=CN=C(Cl)C(CO)=C1 D85930 [0,2,0,0,0,0|2,0,0]=4 650 B10R1.30 CC1=CN=C(F)C=C1C=O AT26672 [0,2,0,0,0,0|1,0,1]=4 651 B10R1.30 CC1=NC(CO)=C(F)C=C1 C91534 [0,2,0,0,0,0|2,0,0]=4 652 B10R1.30 CC1=NNC(=O)C(CN)=C1 P13172 [0,2,0,0,0,0|1,0,0]=3 653 B10R1.30 CCC1=C(Br)C=NC(Cl)=C1 AT13829 [0,2,0,0,0,0|1,0,0]=3 654 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [0,2,0,0,0,0|1,0,0]=3 655 B10R1.30 CCC1=CC(Br)=NC=C1N 51679 [0,2,0,0,0,0|1,0,0]=3 656 B10R1.30 CNC1=C(Br)C=NC(Cl)=N1 84354 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.30 CNC1=C(Cl)C=NC(Cl)=N1 83928 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.30 CNC1=C(F)C=CC(Br)=C1 AC3023 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.30 CNC1=C(I)C=NC(Cl)=N1 F30750 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.30 CNC1=C(N)C=CC(Cl)=C1 C76710 [0,2,0,0,0,0|2,0,0]=4 661 B10R1.30 CNC1=C(N)C=NC(Cl)=N1 AC4727 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.30 CNC1=C(O)C=CC(C)=C1 C16345 [0,2,0,0,0,0|1,0,0]=3 663 B10R1.30 CNC1=CC(Cl)=NC=C1F F13412 [0,2,0,0,0,0|1,0,0]=3 664 B10R1.30 CNC1=CC(Cl)=NN=C1Cl AT14215 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.30 CNC1=NC(C)=CC=C1N S10557 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.30 COC1=C(C)C=CC(O)=C1 AT19376 [0,2,0,0,0,0|2,0,0]=4 667 B10R1.30 COC1=C(S)C=CC(N)=C1 D87749 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.30 COC1=CC(Br)=NC=C1F AT26883 [0,2,0,0,0,0|1,0,0]=3 669 B10R1.30 CSC1=C(Br)C=CC(Br)=C1 C13369 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.30 CSC1=C(N)C=CC(C)=C1 AT20827 [0,2,0,0,0,0|1,0,0]=3 671 B10R1.30 ClCC1=C(Br)C=NC(Cl)=C1 94576 [0,2,0,0,0,0|1,0,0]=3 672 B10R1.30 N#CC1=CC(Br)=NC=C1N P19407 [0,2,0,0,0,0|1,0,1]=4 673 B10R1.30 N#CC1=CC(Cl)=NC=C1F AT22002 [0,2,0,0,0,0|1,0,1]=4 674 B10R1.30 N#CC1=CC(Cl)=NC=C1O 93892 [0,2,0,0,0,0|1,0,1]=4 675 B10R1.30 NCC1=C(Br)C=CC(F)=C1 AC7757 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.30 NCC1=C(Br)C=CC(O)=C1 D88088 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.30 NCC1=C(F)C=CC(N)=C1 AC9197 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.30 NCC1=C(I)C=CC(Br)=C1 67324 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.30 NCC1=C(N)C=CC(Br)=C1 O10495 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.30 NCC1=C(N)C=CC(F)=C1 CK2412 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.30 NCC1=C(O)C=CC(Br)=C1 76231 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.30 O=CC1=CC(Br)=NC=C1Br 80248 [0,2,0,0,0,0|1,0,1]=4 683 B10R1.30 O=CC1=CC(Br)=NC=C1Cl 88069 [0,2,0,0,0,0|1,0,1]=4 684 B10R1.30 O=CC1=CC(Br)=NC=C1O D70761 [0,2,0,0,0,0|1,0,1]=4 685 B10R1.30 OCC1=C(Br)C=NC(Cl)=C1 F30510 [0,2,0,0,0,0|1,0,0]=3 686 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [0,2,0,0,0,0|2,0,0]=4 687 B10R1.113 CC(=O)C1=CC(=O)NC=C1 90624 [0,2,0,0,0,0|1,0,1]=4 688 B10R1.113 CC(=O)C1=CC(Cl)=NC=N1 91059 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.113 CC(=O)C1=CN=NC(C)=C1 E71800 [0,2,0,0,0,0|1,0,0]=3 690 B10R1.113 CC(C)C1=CC(Cl)=NC=C1 D71924 [0,2,0,0,0,0|1,0,0]=3 691 B10R1.113 CC(C)C1=NC=CC(Cl)=N1 W12563 [0,2,0,0,0,0|2,0,0]=4 692 B10R1.113 CC1=CC(B(O)O)=NC=C1 83427 [0,2,0,0,0,0|1,0,0]=3 693 B10R1.113 CC1=CC(C(F)F)=NC=C1 C91253 [0,2,0,0,0,0|0,0,0]=2 694 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [0,2,0,0,0,0|1,0,0]=3 695 B10R1.113 CC1=CC=CC(N(C)C)=N1 N10110 [0,2,0,0,0,0|2,0,0]=4 696 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 N13137 [0,2,0,0,0,0|2,0,0]=4 697 B10R1.113 CC1=CC=NC(C(=N)N)=N1 38082 [0,2,0,0,0,0|1,0,1]=4 698 B10R1.113 CC1=NC=CC(C(C)C)=N1 O11252 [0,2,0,0,0,0|1,0,0]=3 699 B10R1.113 CC1=NC=CC([C@H](C)O)=C1 F13150 [0,2,0,0,0,0|0,0,0]=2 700 B10R1.113 CN(C)C1=CC(I)=NC=N1 N10071 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.113 CN(C)C1=NC=CC(Cl)=C1 C16301 [0,2,0,0,0,0|1,0,0]=3 702 B10R1.113 CN(C)C1=NC=CC(O)=N1 AT18298 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.113 C[C@H](Br)C1=CC(Cl)=CC=C1 55213 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=C1 55217 [0,2,0,0,0,0|2,0,0]=4 705 B10R1.113 C[C@H](N)C1=CC(Br)=NC=C1 AC3205 [0,2,0,0,0,0|1,0,0]=3 706 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70883 [0,2,0,0,0,0|2,0,0]=4 707 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y11581 [0,2,0,0,0,0|2,0,0]=4 708 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 F16880 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.113 C[C@H](N)C1=NC=CC(Br)=C1 90526 [0,2,0,0,0,0|1,0,0]=3 710 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14934 [0,2,0,0,0,0|1,0,0]=3 711 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14935 [0,2,0,0,0,0|1,0,0]=3 712 B10R1.113 C[C@H](O)C1=CC(N)=NC=C1 CS1317 [0,2,0,0,0,0|1,0,0]=3 713 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1245 [0,2,0,0,0,0|2,0,0]=4 714 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 59959 [0,2,0,0,0,0|2,0,0]=4 715 B10R1.113 C[C@H](O)C1=NC=CC(F)=C1 AT10691 [0,2,0,0,0,0|1,0,0]=3 716 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50248 [0,2,0,0,0,0|2,0,0]=4 717 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50315 [0,2,0,0,0,0|2,0,0]=4 718 B10R1.113 FC(F)C1=CC=CC(S)=C1 97706 [0,2,0,0,0,0|2,0,0]=4 719 B10R1.113 FC(F)C1=NC=CC(Br)=N1 P20636 [0,2,0,0,0,0|2,0,0]=4 720 B10R1.113 FC(F)C1=NC=CC(Cl)=N1 D78848 [0,2,0,0,0,0|2,0,0]=4 721 B10R1.113 N=C(N)C1=CC(Cl)=NC=C1 87823 [0,2,0,0,0,0|1,0,1]=4 722 B10R1.113 N=C(N)C1=NC=CC(Cl)=C1 67989 [0,2,0,0,0,0|1,0,1]=4 723 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 D84548 [0,2,0,0,0,0|1,0,1]=4 724 B10R1.113 O=C(O)C1=NC=CC(O)=C1 AC3399 [0,2,0,0,0,0|1,0,1]=4 725 B10R1.172 BrCC1=CC=CC(CBr)=N1 AC6696 [0,2,0,0,0,0|2,0,0]=4 726 B10R1.172 BrCC1=CN=CC(CBr)=C1 C11061 [0,2,0,0,0,0|2,0,0]=4 727 B10R1.172 BrCC1=CN=CC(CBr)=C1 F30548 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.172 C#CC1=NC=CC(OC)=N1 84019 [0,2,0,0,0,0|1,0,1]=4 729 B10R1.172 C=CC1=NC=CC(C#N)=C1 52909 [0,2,0,0,0,0|0,0,2]=4 730 B10R1.172 CCC1=CC=CC(CO)=C1 D85939 [0,2,0,0,0,0|1,0,0]=3 731 B10R1.172 CCC1=NC=CC(CN)=C1 57083 [0,2,0,0,0,0|0,0,0]=2 732 B10R1.172 CNC1=CC=CC(CO)=C1 AT21037 [0,2,0,0,0,0|1,0,0]=3 733 B10R1.172 CNC1=CC=CC(SC)=C1 AT20859 [0,2,0,0,0,0|1,0,0]=3 734 B10R1.172 CNC1=NC=CC(CO)=C1 AT18191 [0,2,0,0,0,0|0,0,0]=2 735 B10R1.172 CNC1=NC=CC(CO)=N1 D75561 [0,2,0,0,0,0|1,0,0]=3 736 B10R1.172 COC1=CC(CCl)=CN=C1 81942 [0,2,0,0,0,0|2,0,0]=4 737 B10R1.172 COC1=CC(OC)=NN=C1 C73963 [0,2,0,0,0,0|1,0,0]=3 738 B10R1.172 COC1=CC=CC(CCl)=N1 81766 [0,2,0,0,0,0|2,0,0]=4 739 B10R1.172 COC1=CC=NC(C=O)=N1 AT18294 [0,2,0,0,0,0|1,0,1]=4 740 B10R1.172 COC1=CN=NC(CO)=C1 P14137 [0,2,0,0,0,0|1,0,0]=3 741 B10R1.172 COC1=NC(C#N)=NC=C1 P11691 [0,2,0,0,0,0|1,0,1]=4 742 B10R1.172 COC1=NC(CN)=CC=C1 79028 [0,2,0,0,0,0|2,0,0]=4 743 B10R1.172 COC1=NC(NN)=NC=C1 CS1194 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.172 COC1=NC=CC(CCl)=C1 P17364 [0,2,0,0,0,0|0,0,0]=2 745 B10R1.172 COC1=NC=CC(CCl)=N1 F30444 [0,2,0,0,0,0|1,0,0]=3 746 B10R1.172 COC1=NC=CC(SC)=C1 F50801 [0,2,0,0,0,0|0,0,0]=2 747 B10R1.172 COC1=NC=NC(CN)=C1 P12885 [0,2,0,0,0,0|1,0,0]=3 748 B10R1.172 CSC1=CC(CN)=CC=C1 N14326 [0,2,0,0,0,0|1,0,0]=3 749 B10R1.172 CSC1=CN=CC(SC)=C1 H11054 [0,2,0,0,0,0|2,0,0]=4 750 B10R1.172 CSC1=NC(C#N)=CC=N1 26993 [0,2,0,0,0,0|1,0,1]=4 751 B10R1.172 CSC1=NC=CC(CCl)=N1 C16785 [0,2,0,0,0,0|1,0,0]=3 752 B10R1.172 N#CC1=NC=CC(CCl)=C1 C76293 [0,2,0,0,0,0|0,0,1]=3 753 B10R1.172 NCC1=CC=CC(CO)=C1 C75075 [0,2,0,0,0,0|1,0,0]=3 754 B10R1.172 O=CC1=CC(C=O)=NC=C1 CS1671 [0,2,0,0,0,0|0,0,2]=4 755 B10R1.172 O=CC1=NC=CC(CO)=C1 60952 [0,2,0,0,0,0|0,0,1]=3 756 B10R1.172 OCC1=CN=CC(CO)=C1 61754 [0,2,0,0,0,0|2,0,0]=4 757 B10R1.176 BrCC1=CC(Br)=C(I)C=C1 AT26690 [0,2,0,0,0,0|2,0,0]=4 758 B10R1.176 BrCC1=CC(I)=C(Br)C=C1 97476 [0,2,0,0,0,0|2,0,0]=4 759 B10R1.176 C#CC1=CC(C)=C(Br)C=C1 C91264 [0,2,0,0,0,0|1,0,1]=4 760 B10R1.176 CC1=C(Br)C=C(CO)N=C1 81452 [0,2,0,0,0,0|1,0,0]=3 761 B10R1.176 CC1=C(Br)C=CC(CCl)=C1 D87322 [0,2,0,0,0,0|1,0,0]=3 762 B10R1.176 CC1=C(Br)C=NC(CN)=C1 AC7093 [0,2,0,0,0,0|0,0,0]=2 763 B10R1.176 CC1=C(Br)C=NC(CO)=C1 C72572 [0,2,0,0,0,0|0,0,0]=2 764 B10R1.176 CC1=C(F)C=CC(CO)=N1 O10128 [0,2,0,0,0,0|2,0,0]=4 765 B10R1.176 CC1=C(I)C=C(CO)C=C1 D75885 [0,2,0,0,0,0|2,0,0]=4 766 B10R1.176 CC1=C(N)C=CC(CO)=C1 F15978 [0,2,0,0,0,0|1,0,0]=3 767 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14330 [0,2,0,0,0,0|1,0,0]=3 768 B10R1.176 CC1=CC(CCl)=CN=C1Cl 97209 [0,2,0,0,0,0|2,0,0]=4 769 B10R1.176 CC1=CC(CO)=CN=C1C F53420 [0,2,0,0,0,0|2,0,0]=4 770 B10R1.176 CC1=CC(NN)=NN=C1Cl C16194 [0,2,0,0,0,0|2,0,0]=4 771 B10R1.176 CCC1=CC(N)=C(Br)C=N1 C14681 [0,2,0,0,0,0|1,0,0]=3 772 B10R1.176 CCC1=CC(N)=C(C)C=C1 F21363 [0,2,0,0,0,0|2,0,0]=4 773 B10R1.176 CCC1=CC(O)=C(F)C=C1 F30470 [0,2,0,0,0,0|2,0,0]=4 774 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [0,2,0,0,0,0|2,0,0]=4 775 B10R1.176 CCC1=NC(C)=C(O)C=C1 76361 [0,2,0,0,0,0|2,0,0]=4 776 B10R1.176 CN1C=C(CN)C=CC1=O P11875 [0,2,0,0,0,0|2,0,0]=4 777 B10R1.176 CN1C=CC(CCl)=CC1=O AT19302 [0,2,0,0,0,0|1,0,1]=4 778 B10R1.176 CNC1=CC(Cl)=C(Br)C=C1 AC3296 [0,2,0,0,0,0|2,0,0]=4 779 B10R1.176 CNC1=CC(Cl)=C(C)C=C1 C77674 [0,2,0,0,0,0|2,0,0]=4 780 B10R1.176 CNC1=CC(F)=C(Br)C=C1 S10823 [0,2,0,0,0,0|2,0,0]=4 781 B10R1.176 CNC1=NC(N)=C(Br)C=N1 AC2848 [0,2,0,0,0,0|2,0,0]=4 782 B10R1.176 COC1=CC(C)=[N+]([O-])C=C1 F18022 [0,2,0,0,0,0|0,0,1]=3 783 B10R1.176 COC1=CC(I)=C(C)C=N1 AT12881 [0,2,0,0,0,0|1,0,0]=3 784 B10R1.176 COC1=CC(I)=C(Cl)N=N1 A12169 [0,2,0,0,0,0|2,0,0]=4 785 B10R1.176 COC1=CC(N)=C(I)C=C1 O10806 [0,2,0,0,0,0|2,0,0]=4 786 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19646 [0,2,0,0,0,0|2,0,0]=4 787 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19647 [0,2,0,0,0,0|2,0,0]=4 788 B10R1.176 COC1=CC(S)=C(N)C=C1 C90511 [0,2,0,0,0,0|2,0,0]=4 789 B10R1.176 COC1=NC(Cl)=C(Br)C=N1 AT18340 [0,2,0,0,0,0|2,0,0]=4 790 B10R1.176 COC1=NC=C(Cl)C(Br)=N1 AT18431 [0,2,0,0,0,0|2,0,0]=4 791 B10R1.176 COC1=NC=C(Cl)C(Cl)=N1 AT18337 [0,2,0,0,0,0|2,0,0]=4 792 B10R1.176 COC1=NN=C(Cl)C(C)=C1 C16632 [0,2,0,0,0,0|1,0,0]=3 793 B10R1.176 CSC1=CC(C)=C(Br)C=C1 AT14181 [0,2,0,0,0,0|1,0,0]=3 794 B10R1.176 CSC1=CC(C)=C(Br)C=N1 AT14153 [0,2,0,0,0,0|0,0,0]=2 795 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [0,2,0,0,0,0|1,0,0]=3 796 B10R1.176 CSC1=CC(N)=C(C)C=C1 AT20856 [0,2,0,0,0,0|2,0,0]=4 797 B10R1.176 CSC1=NC(C)=C(Br)C=C1 AT14158 [0,2,0,0,0,0|2,0,0]=4 798 B10R1.176 CSC1=NC(C)=C(N)C=N1 C16461 [0,2,0,0,0,0|1,0,0]=3 799 B10R1.176 CSC1=NC(O)=C(Cl)C=N1 AC6462 [0,2,0,0,0,0|2,0,0]=4 800 B10R1.176 CSC1=NC=C(C)C(Br)=N1 AC4904 [0,2,0,0,0,0|2,0,0]=4 801 B10R1.176 CSC1=NC=C(Cl)C(I)=N1 AC8687 [0,2,0,0,0,0|2,0,0]=4 802 B10R1.176 FC1=C(Br)C=C(CCl)C=C1 W16546 [0,2,0,0,0,0|2,0,0]=4 803 B10R1.176 FC1=C(Br)C=CC(CCl)=C1 96328 [0,2,0,0,0,0|2,0,0]=4 804 B10R1.176 FC1=C(Cl)C=CC(CCl)=C1 CK1006 [0,2,0,0,0,0|2,0,0]=4 805 B10R1.176 NCC1=CC(O)=C(N)C=C1 F13360 [0,2,0,0,0,0|2,0,0]=4 806 B10R1.176 O=C1C=C(CO)C=CN1O C92065 [0,2,0,0,0,0|1,0,1]=4 807 B10R1.176 OCC1=CC(I)=C(Br)C=C1 97475 [0,2,0,0,0,0|2,0,0]=4 808 B10R1.22 CC1=C(C)C(Cl)=NC(N)=N1 C14798 [0,2,0,0,0,0|2,0,0]=4 809 B10R1.22 CC1=C(O)C(I)=CC(I)=N1 FD10658 [0,2,0,0,0,0|1,0,0]=3 810 B10R1.22 CC1=C(O)C=C(O)N=C1Cl C16631 [0,2,0,0,0,0|2,0,0]=4 811 B10R1.22 CC1=CC(=O)N(C)C(N)=C1 AT19286 [0,2,0,0,0,0|1,0,1]=4 812 B10R1.22 CC1=CC(Br)=CC(Br)=C1I AC9862 [0,2,0,0,0,0|2,0,0]=4 813 B10R1.22 CC1=CC(Br)=CC(I)=C1N S10863 [0,2,0,0,0,0|2,0,0]=4 814 B10R1.22 CC1=CC(Br)=CC(N)=C1F 55937 [0,2,0,0,0,0|2,0,0]=4 815 B10R1.22 CC1=CC(Br)=NC(C)=C1Br C75336 [0,2,0,0,0,0|0,0,0]=2 816 B10R1.22 CC1=CC(C)=C(N)C(Br)=N1 C71195 [0,2,0,0,0,0|0,0,0]=2 817 B10R1.22 CC1=CC(C)=NC(C)=C1Br W12678 [0,2,0,0,0,0|0,0,0]=2 818 B10R1.22 CC1=CC(C)=[N+](F)C(C)=C1 C71278 [0,2,0,0,0,0|0,0,1]=3 819 B10R1.22 CC1=CC(Cl)=C(Cl)C(N)=C1 H11579 [0,2,0,0,0,0|2,0,0]=4 820 B10R1.22 CC1=CC(Cl)=CC(F)=C1N 95138 [0,2,0,0,0,0|2,0,0]=4 821 B10R1.22 CC1=CC(Cl)=CC(N)=C1O 78884 [0,2,0,0,0,0|2,0,0]=4 822 B10R1.22 CC1=CC(Cl)=NC(N)=C1N P12074 [0,2,0,0,0,0|1,0,0]=3 823 B10R1.22 CC1=CC(F)=C(F)C(F)=C1 36229 [0,2,0,0,0,0|2,0,0]=4 824 B10R1.22 CC1=CC(F)=C(N)C(F)=C1 36800 [0,2,0,0,0,0|2,0,0]=4 825 B10R1.22 CC1=CC(I)=C(F)C(F)=C1 96950 [0,2,0,0,0,0|2,0,0]=4 826 B10R1.22 CC1=CC(I)=C(N)C(Br)=C1 91883 [0,2,0,0,0,0|2,0,0]=4 827 B10R1.22 CC1=CC(I)=CC(F)=C1Br AT18861 [0,2,0,0,0,0|2,0,0]=4 828 B10R1.22 CC1=CC(N)=CC(=O)N1C AT19299 [0,2,0,0,0,0|1,0,1]=4 829 B10R1.22 CC1=CC(N)=CC(Br)=C1F FD10715 [0,2,0,0,0,0|2,0,0]=4 830 B10R1.22 CC1=CC(N)=CC(C)=C1N 61916 [0,2,0,0,0,0|1,0,0]=3 831 B10R1.22 CC1=CC(N)=CC(Cl)=C1Br FD10718 [0,2,0,0,0,0|2,0,0]=4 832 B10R1.22 CC1=CC(N)=CN(C)C1=O 79438 [0,2,0,0,0,0|2,0,0]=4 833 B10R1.22 CC1=CC(O)=C(N)C(C)=N1 C75076 [0,2,0,0,0,0|1,0,0]=3 834 B10R1.22 CC1=CC(O)=C(O)C(O)=C1 D92404 [0,2,0,0,0,0|2,0,0]=4 835 B10R1.22 CC1=NC(Cl)=C(Cl)C(Cl)=N1 75973 [0,2,0,0,0,0|2,0,0]=4 836 B10R1.22 CC1=NC(Cl)=C(I)C(N)=N1 79827 [0,2,0,0,0,0|2,0,0]=4 837 B10R1.22 CC1=NC(N)=NC(F)=C1Br 92216 [0,2,0,0,0,0|2,0,0]=4 838 B10R1.22 CC1=NC(N)=NC(N)=C1C C16270 [0,2,0,0,0,0|2,0,0]=4 839 B10R1.22 CC1=NC(N)=NC(N)=C1I D76646 [0,2,0,0,0,0|2,0,0]=4 840 B10R1.22 CC1=NC(O)=NC(C)=C1Br 71764 [0,2,0,0,0,0|1,0,0]=3 841 B10R1.22 CN1N=C(Cl)C=C(N)C1=O F20190 [0,2,0,0,0,0|2,0,0]=4 842 B10R1.22 FC1=CC(F)=C(F)C(F)=N1 F21459 [0,2,0,0,0,0|2,0,0]=4 843 B10R1.22 NC1=CC(Br)=C(N)C(N)=N1 C92894 [0,2,0,0,0,0|2,0,0]=4 844 B10R1.22 NC1=CC(Br)=NC(Cl)=C1N 90688 [0,2,0,0,0,0|2,0,0]=4 845 B10R1.22 NC1=CC(Cl)=NC(Cl)=C1I W17950 [0,2,0,0,0,0|2,0,0]=4 846 B10R1.22 [2H]C1=CC(C)=C(N)C([2H])=C1 D99361 [0,2,0,0,0,0|2,0,0]=4 847 B10R1.119 CC1=C(Br)C=CC(N)=C1Cl E72722 [0,2,0,0,0,0|2,0,0]=4 848 B10R1.119 CC1=C(Br)C=NC(N)=C1I 72279 [0,2,0,0,0,0|1,0,0]=3 849 B10R1.119 CC1=C(C)C(Br)=C(N)C=C1 AC4809 [0,2,0,0,0,0|2,0,0]=4 850 B10R1.119 CC1=C(C)C(Cl)=C(Cl)C=C1 AC6597 [0,2,0,0,0,0|2,0,0]=4 851 B10R1.119 CC1=C(C)C(N)=C(N)C=C1 77536 [0,2,0,0,0,0|2,0,0]=4 852 B10R1.119 CC1=C(Cl)C=CC(F)=C1Br 98311 [0,2,0,0,0,0|2,0,0]=4 853 B10R1.119 CC1=C(Cl)C=CC(N)=C1Cl W19151 [0,2,0,0,0,0|2,0,0]=4 854 B10R1.119 CC1=C(Cl)C=NC(N)=C1O F13362 [0,2,0,0,0,0|1,0,0]=3 855 B10R1.119 CC1=C(F)C=CC(F)=C1Br C90884 [0,2,0,0,0,0|2,0,0]=4 856 B10R1.119 CC1=C(F)C=CC(N)=C1Cl 22765 [0,2,0,0,0,0|2,0,0]=4 857 B10R1.119 CC1=C(F)C=CC(O)=C1Cl C90871 [0,2,0,0,0,0|2,0,0]=4 858 B10R1.119 CC1=C(I)C=CC(Br)=C1F AT11321 [0,2,0,0,0,0|2,0,0]=4 859 B10R1.119 CC1=C(I)C=NC(Cl)=C1F 67329 [0,2,0,0,0,0|1,0,0]=3 860 B10R1.119 CC1=C(N)C(=O)N(C)C=C1 AT19273 [0,2,0,0,0,0|1,0,1]=4 861 B10R1.119 CC1=C(N)C=CC(F)=C1Br C90841 [0,2,0,0,0,0|2,0,0]=4 862 B10R1.119 CC1=C(N)C=CC(F)=C1C 34354 [0,2,0,0,0,0|2,0,0]=4 863 B10R1.119 CC1=C(N)C=CC(I)=C1F S11390 [0,2,0,0,0,0|2,0,0]=4 864 B10R1.119 CC1=CC=C(Br)C(Br)=C1N H11548 [0,2,0,0,0,0|2,0,0]=4 865 B10R1.119 CC1=CC=C(O)C(C)=C1Br W18028 [0,2,0,0,0,0|1,0,0]=3 866 B10R1.119 CC1=CC=C(O)C(F)=C1F A12364 [0,2,0,0,0,0|2,0,0]=4 867 B10R1.119 CC1=CN=C(Cl)C(N)=C1N O10740 [0,2,0,0,0,0|2,0,0]=4 868 B10R1.119 FC1=CN=C(F)C(F)=C1I O10562 [0,2,0,0,0,0|2,0,0]=4 869 B10R1.119 NC1=C(Br)C(Cl)=C(Cl)C=N1 E71697 [0,2,0,0,0,0|2,0,0]=4 870 B10R1.119 NC1=C(I)C=NC(Cl)=C1N P13293 [0,2,0,0,0,0|2,0,0]=4 871 B10R1.245 CC1=C(C#N)C(S)=NC=C1 51819 [0,2,0,0,0,0|1,0,0]=3 872 B10R1.245 CC1=C(C=O)C(F)=NC=C1 AT13974 [0,2,0,0,0,0|1,0,0]=3 873 B10R1.245 CC1=C(CN)C(=O)NC=C1 F18093 [0,2,0,0,0,0|1,0,1]=4 874 B10R1.245 CC1=CC=CC(Br)=C1CO D96259 [0,2,0,0,0,0|2,0,0]=4 875 B10R1.245 CC1=CC=CC(N)=C1C=O F15844 [0,2,0,0,0,0|2,0,0]=4 876 B10R1.245 CC1=CC=CC(N)=C1CO AC6550 [0,2,0,0,0,0|2,0,0]=4 877 B10R1.245 CC1=CN=CC(C)=C1C=O 51703 [0,2,0,0,0,0|2,0,0]=4 878 B10R1.245 CC1=NC=NC(C)=C1CO P11861 [0,2,0,0,0,0|1,0,0]=3 879 B10R1.245 COC1=C(C)N=CN=C1Cl AT18342 [0,2,0,0,0,0|2,0,0]=4 880 B10R1.245 COC1=C(Cl)C=CN=C1F 91699 [0,2,0,0,0,0|2,0,0]=4 881 B10R1.245 COC1=C(I)C=CN=C1Cl AT13793 [0,2,0,0,0,0|2,0,0]=4 882 B10R1.245 COC1=C(I)C=CN=C1F AT19119 [0,2,0,0,0,0|2,0,0]=4 883 B10R1.245 COC1=C(O)C=CN=C1F 91686 [0,2,0,0,0,0|2,0,0]=4 884 B10R1.245 N#CC1=C(F)C=CN=C1Cl O10723 [0,2,0,0,0,0|2,0,0]=4 885 B10R1.245 N#CC1=C(I)C=CN=C1F 90730 [0,2,0,0,0,0|2,0,0]=4 886 B10R1.245 NC1=C(C=O)C(F)=NC=C1 O11152 [0,2,0,0,0,0|2,0,0]=4 887 B10R1.245 NCC1=C(Cl)C=CN=C1N 81939 [0,2,0,0,0,0|2,0,0]=4 888 B10R1.245 O=CC1=C(F)C=CN=C1F 74527 [0,2,0,0,0,0|2,0,0]=4 889 B10R1.245 OCC1=C(I)C=CN=C1Cl 77407 [0,2,0,0,0,0|2,0,0]=4 890 B10R1.25 CC1=C(C#N)C=CC(S)=C1 AT20986 [0,2,0,0,0,0|2,0,0]=4 891 B10R1.25 CC1=C(CBr)C=CC(N)=C1 98280 [0,2,0,0,0,0|2,0,0]=4 892 B10R1.25 CC1=C(CN)C=NC(N)=N1 C15221 [0,2,0,0,0,0|2,0,0]=4 893 B10R1.25 CC1=C(CO)C=CC(Cl)=C1 T70197 [0,2,0,0,0,0|2,0,0]=4 894 B10R1.25 CC1=C(CO)C=CC(F)=C1 CK2474 [0,2,0,0,0,0|2,0,0]=4 895 B10R1.25 CC1=C(CO)C=CC(O)=C1 N13176 [0,2,0,0,0,0|2,0,0]=4 896 B10R1.25 CC1=CC(Br)=C(C=O)C=N1 C14106 [0,2,0,0,0,0|1,0,0]=3 897 B10R1.25 CC1=CC(C)=NC=C1CN W16199 [0,2,0,0,0,0|0,0,0]=2 898 B10R1.25 CC1=CC(F)=C(CN)C=C1 A12837 [0,2,0,0,0,0|2,0,0]=4 899 B10R1.25 CC1=CC(F)=C(CO)C=C1 98275 [0,2,0,0,0,0|2,0,0]=4 900 B10R1.25 CC1=CC(F)=C(NN)C=C1 A12578 [0,2,0,0,0,0|2,0,0]=4 901 B10R1.25 CC1=CC(N)=C(C#N)C=N1 P18774 [0,2,0,0,0,0|1,0,0]=3 902 B10R1.25 CC1=CC(N)=C(C=O)C=C1 F15845 [0,2,0,0,0,0|2,0,0]=4 903 B10R1.25 CC1=CC(N)=C(CO)C=C1 O10038 [0,2,0,0,0,0|2,0,0]=4 904 B10R1.25 CC1=CC(O)=C(CO)C=C1 N12596 [0,2,0,0,0,0|2,0,0]=4 905 B10R1.25 CC1=CN=C(CBr)C(C)=C1 O10504 [0,2,0,0,0,0|2,0,0]=4 906 B10R1.25 CC1=CN=C(CN)C(C)=C1 D73748 [0,2,0,0,0,0|2,0,0]=4 907 B10R1.25 CC1=NC(C)=C(C=O)C=C1 F12423 [0,2,0,0,0,0|2,0,0]=4 908 B10R1.25 CC1=NC(C)=C(C=O)C=N1 D97637 [0,2,0,0,0,0|1,0,0]=3 909 B10R1.25 CC1=NC(C)=C(CN)C=N1 F53535 [0,2,0,0,0,0|1,0,0]=3 910 B10R1.25 CC1=NC(N)=C(CCl)C=N1 H11127 [0,2,0,0,0,0|2,0,0]=4 911 B10R1.25 CC1=NC=C(CO)C(O)=N1 C76221 [0,2,0,0,0,0|2,0,0]=4 912 B10R1.25 CNC1=CN=C(Br)C=C1C 96211 [0,2,0,0,0,0|1,0,0]=3 913 B10R1.25 CNC1=CN=C(Br)C=C1N 53659 [0,2,0,0,0,0|2,0,0]=4 914 B10R1.25 CNC1=CN=C(Cl)C=C1C 96215 [0,2,0,0,0,0|1,0,0]=3 915 B10R1.25 COC1=C(I)C=C(C)N=C1 96426 [0,2,0,0,0,0|1,0,0]=3 916 B10R1.25 COC1=C(O)N=C(C)N=C1 F30536 [0,2,0,0,0,0|2,0,0]=4 917 B10R1.25 FC1=CC(I)=C(CBr)C=N1 W17121 [0,2,0,0,0,0|2,0,0]=4 918 B10R1.118 CC1=C(Cl)C=C(N)C(F)=C1 F13823 [0,2,0,0,0,0|2,0,0]=4 919 B10R1.118 CC1=C(Cl)C=C(N)C(F)=C1 F13824 [0,2,0,0,0,0|2,0,0]=4 920 B10R1.118 CC1=CC(Br)=C(Cl)C=C1O AR2867 [0,2,0,0,0,0|2,0,0]=4 921 B10R1.118 CC1=CC(C)=C(N)C=C1N F31159 [0,2,0,0,0,0|1,0,0]=3 922 B10R1.118 CC1=CC(Cl)=C(I)C=C1C O10394 [0,2,0,0,0,0|2,0,0]=4 923 B10R1.118 CC1=CC(Cl)=C(N)C=C1Cl 95140 [0,2,0,0,0,0|2,0,0]=4 924 B10R1.118 CC1=CC(F)=C(Br)C=C1C D87743 [0,2,0,0,0,0|2,0,0]=4 925 B10R1.118 CC1=CC(F)=C(Br)C=C1F CL9322 [0,2,0,0,0,0|2,0,0]=4 926 B10R1.118 CC1=CC(I)=C(C)C=C1N D76806 [0,2,0,0,0,0|2,0,0]=4 927 B10R1.118 CC1=CC(I)=C(Cl)C=C1Br E70017 [0,2,0,0,0,0|2,0,0]=4 928 B10R1.118 CC1=CC(I)=C(I)C=C1C S12295 [0,2,0,0,0,0|2,0,0]=4 929 B10R1.118 CC1=CC(O)=C(Cl)C=C1F C90829 [0,2,0,0,0,0|2,0,0]=4 930 B10R1.118 CC1=CC(O)=C(I)C=C1Cl 58349 [0,2,0,0,0,0|2,0,0]=4 931 B10R1.118 CC1=CC(S)=C(Cl)C=C1Cl 34560 [0,2,0,0,0,0|2,0,0]=4 932 B8R1.7 CC(=O)C1=CN=CO1 F19037 [0,0,1,1,0,0|2,0,0]=4 933 B6R1.2 BrC1=CC=NS1 AT21099 [1,0,0,0,1,0|2,0,0]=4 934 B6R1.2 CC1=CN=CO1 C77581 [1,0,0,0,1,0|1,0,0]=3 935 B6R1.2 CC1=NC=CO1 O10838 [1,0,0,0,1,0|1,0,0]=3 936 B6R1.2 CC1=NSC=C1 AC6637 [1,0,0,0,1,0|1,0,0]=3 937 B6R1.2 ClC1=CSN=C1 F13704 [1,0,0,0,1,0|2,0,0]=4 938 B6R1.2 ClC1=NC=CO1 F20650 [1,0,0,0,1,0|2,0,0]=4 939 B6R1.2 ClC1=NSC=C1 F19768 [1,0,0,0,1,0|2,0,0]=4 940 B6R1.2 NC1=CC=CS1 44128 [1,0,0,0,1,0|2,0,0]=4 941 B6R1.2 NC1=CC=CS1 F10359 [1,0,0,0,1,0|2,0,0]=4 942 B6R1.2 NC1=CC=NS1 W16800 [1,0,0,0,1,0|2,0,0]=4 943 B6R1.2 NC1=CNC=N1 P20245 [1,0,0,0,1,0|2,0,0]=4 944 B6R1.2 OC1=CON=C1 AT21052 [1,0,0,0,1,0|2,0,0]=4 945 B6R1.2 SC1=NC=CO1 AT18533 [1,0,0,0,1,0|2,0,0]=4 946 B6R1.2 [2H]N1C=CC=C1 D98995 [1,0,0,0,1,0|2,0,0]=4