0 B8R1.4 BrC1=CC(I)=NC=C1 A10666 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.4 CC1=CC(I)=NC=C1 D87895 [0,0,0,0,0,0|3,0,0]=3 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|3,0,1]=4 5 B8R1.4 ClC1=CC=NC(Br)=N1 81850 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.4 ClC1=NC(Cl)=NN=C1 F53483 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.4 FC1=NC=CC(Br)=N1 AT18301 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.4 NC1=CC=CC(=S)N1 C15708 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.4 NC1=NC(Cl)=NN=C1 92269 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.4 O=C1C=CNC(=O)O1 C15625 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.4 OC1=CC(I)=CN=C1 D74429 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.4 SC1=CC(Br)=CN=C1 P12662 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.4 [2H]C1=CC=CC([2H])=C1 D99674 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.4 [2H]C1=CC=CC([2H])=N1 D98925 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.3 ClC1=CC=NC=C1 F17303 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.3 ClC1=NC=CC=N1 F20795 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.3 ClC1=NC=NC=C1 F18311 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.3 FC1=CC=NC=C1 F19691 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.3 IC1=NC=NC=C1 C15557 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.3 SC1=NN=CC=C1 AT13031 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 [2H]C1=CC=CC=C1 D98570 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.3 [2H]C1=CC=NC=C1 D98795 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.3 [2H]C1=NC=CC=C1 D98277 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.2 C#CC1=CC(C)=CN=C1 AT12963 [0,1,0,0,0,0|2,0,1]=4 27 B9R1.2 C#CC1=CC=CC(N)=N1 C73323 [0,1,0,0,0,0|1,0,1]=3 28 B9R1.2 C#CC1=CC=NC(Cl)=N1 AT12429 [0,1,0,0,0,0|2,0,1]=4 29 B9R1.2 C#CC1=NC(C)=CC=N1 AT18275 [0,1,0,0,0,0|1,0,1]=3 30 B9R1.2 C=CC1=CC=NC(N)=N1 AT12778 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.2 CC1=CC(CCl)=NC=N1 F52607 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.2 CC1=CC(CN)=NC=N1 AT18324 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.2 CC1=CC=NC(CCl)=N1 P10964 [0,1,0,0,0,0|1,0,0]=2 35 B9R1.2 CC1=CC=NC(CN)=N1 P10960 [0,1,0,0,0,0|1,0,0]=2 36 B9R1.2 CC1=CN=CC(CCl)=N1 O10514 [0,1,0,0,0,0|1,0,0]=2 37 B9R1.2 CC1=CN=CC(CCl)=N1 Y10493 [0,1,0,0,0,0|1,0,0]=2 38 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [0,1,0,0,0,0|1,0,0]=2 39 B9R1.2 CC1=CN=NC(CN)=C1 P13788 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.2 CC1=NC=CC(CCl)=N1 F53395 [0,1,0,0,0,0|1,0,0]=2 41 B9R1.2 CC1=NC=CC(CN)=N1 F14224 [0,1,0,0,0,0|1,0,0]=2 42 B9R1.2 CC1=NC=CC(NN)=C1 F16202 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.2 CCC1=NC=CC(Cl)=N1 W12562 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.2 COC1=CC(O)=NC=C1 F17762 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.2 COC1=CCC=C(C)C1 AC4015 [0,1,0,0,0,0|1,0,1]=3 47 B9R1.2 COC1=CN=CC(N)=C1 P11509 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.2 CSC1=CC(Cl)=CN=C1 AT19857 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.2 CSC1=CN=CC(Cl)=N1 AT24641 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.2 CSC1=NC(N)=NC=C1 AT18329 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.2 CSC1=NN=CC(C)=N1 AT21837 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.2 ClC1=NC=CC(CBr)=C1 C16429 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.2 ClC1=NC=CC(CBr)=N1 F12213 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.2 ClCC1=NC=CC(Cl)=C1 C13998 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.2 FC1=CC(CCl)=CN=C1 O10881 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.2 NCC1=CC(=O)NC=C1 37540 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.2 NCC1=CC(Br)=CN=C1 F19818 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.2 NCC1=CC(F)=NC=C1 W18404 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.2 NCC1=CC(N)=NC=C1 AC6477 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.2 NCC1=CC=CC(Cl)=N1 C72946 [0,1,0,0,0,0|1,0,0]=2 62 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [0,1,0,0,0,0|1,0,0]=2 64 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.2 NCC1=NC=CC(N)=C1 77886 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.2 NNC1=CC=NC(O)=N1 S10644 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.2 NNC1=NC(=O)NC=C1 H10062 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.2 NNC1=NC(N)=CC=C1 C91519 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.2 [O-][N+]1=CC=CC(CCl)=C1 96310 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.3 CC1=C(Br)C(=O)NC=C1 29620 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.3 CC1=C(I)C(=O)C=CN1 D84797 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.3 CC1=CC=CC(S)=C1C F20973 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.3 CC1=CC=CC(S)=C1N AT19641 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.3 CC1=CC=NC(C)=C1O F17537 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.3 CC1=CC=NC(Cl)=C1I H11415 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.3 CC1=CC=NC(F)=C1I AT21585 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.3 CC1=CC=NC(N)=C1Cl D71951 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.3 CC1=CC=NC(N)=C1I 65853 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.3 CC1=NC=CC(Cl)=C1N O11210 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.3 CC1=NC=CC(N)=C1Br D96170 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.3 CC1=NC=NC(C)=C1N AT18386 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.3 FC1=CC=CC(Br)=C1S AT20836 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.3 FC1=CC=CC(Cl)=C1S AT20825 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.3 F[N+]1=C(Cl)C=CC=C1Cl C14552 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.3 NC1=C(S)C=CC=C1F C16304 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.3 NC1=CC=CC(Cl)=C1S AT19651 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.3 NC1=CC=CC(I)=C1Cl D96226 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.3 NC1=CC=CC(N)=C1N C75845 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.3 NC1=CC=CC(N)=C1O O10621 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.3 NC1=CC=CC(O)=C1O 30915 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.3 OC1=CC=CC(I)=C1O D82483 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.3 [2H]C1=CC=CC(I)=C1[2H] D97970 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.34 CC1=CC(Cl)=CC(F)=N1 91500 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.34 CC1=CC(F)=CC(F)=N1 C16435 [0,1,0,0,0,0|1,0,0]=2 97 B9R1.34 CC1=CC(F)=NC(N)=N1 92215 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.34 CC1=CC(I)=CC(C)=N1 O11249 [0,1,0,0,0,0|0,0,0]=1 99 B9R1.34 CC1=CC(N)=CC(=O)O1 W11226 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.34 CC1=CC(N)=CC(O)=N1 D80759 [0,1,0,0,0,0|1,0,0]=2 101 B9R1.34 CC1=CC(O)=CC(Cl)=N1 C15794 [0,1,0,0,0,0|1,0,0]=2 102 B9R1.34 ClC1=CC(I)=CC(Br)=N1 AT13204 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.34 FC1=NC(Cl)=NC(Cl)=C1 A51075 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.34 NC1=CC(Br)=CC(F)=N1 E71786 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.34 NC1=CC(Br)=CC(O)=C1 53862 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.34 NC1=CC(Cl)=NC(=O)N1 90675 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.34 NC1=CC(I)=CC(I)=C1 59844 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.34 NC1=CC(N)=NC(O)=N1 H10201 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.34 NC1=CC(O)=CC(O)=C1 11229 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.34 NC1=NC(I)=CC(I)=N1 F21429 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.34 O=C1C=C(Cl)N=C(Cl)N1 26535 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.34 OC1=CC(O)=NC(O)=N1 S12330 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.34 SC1=CC(Br)=CC(Cl)=C1 AT20882 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.34 SC1=CC(S)=CC(S)=C1 T70854 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.34 [2H]C1=CC([2H])=CC(Cl)=C1 D99131 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.34 [2H]C1=CC([2H])=CC(O)=C1 D99082 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.69 BrC1=C(Br)C=C(I)C=C1 T73057 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.69 BrC1=CN=C(Br)C(Br)=N1 I10240 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.69 BrC1=CN=C(I)C(Br)=N1 D80054 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.69 CC1=C(C)N=C(Br)C=C1 F16237 [0,1,0,0,0,0|1,0,0]=2 121 B9R1.69 CC1=C(C)N=C(O)C=C1 F51184 [0,1,0,0,0,0|1,0,0]=2 122 B9R1.69 CC1=C(C)NC(=O)C=C1 F52969 [0,1,0,0,0,0|1,0,1]=3 123 B9R1.69 CC1=C(F)N=C(Br)C=C1 AT22416 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.69 CC1=C(N)C=CC(S)=C1 AT20958 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.69 CC1=C(O)N=C(Cl)N=C1 AC8001 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.69 CC1=C(S)C=C(Br)C=C1 AT20875 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.69 CC1=C(S)C=C(N)C=C1 AT20843 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.69 CC1=C(S)C=CC(Br)=C1 AT20848 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.69 CC1=C(S)N=C(S)N=C1 W17242 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.69 CC1=CC(Br)=COC1=O E71746 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.69 CC1=CC(Br)=NC=C1O 96317 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.69 CC1=CC(C)=C(N)N=N1 A51049 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.69 CC1=CC(I)=C(Br)N=C1 I10150 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.69 CC1=CC(I)=C(Cl)N=C1 I10136 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.69 CC1=CC(I)=C(O)C=N1 96425 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.69 CC1=CC(I)=NC=C1N 80294 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.69 CC1=CC(N)=C(S)C=C1 AT19644 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.69 CC1=CC(S)=C(Cl)C=C1 AT20814 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19639 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19640 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.69 CC1=CC=C(Cl)N=C1Br O10690 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.69 CC1=CC=C(I)C(=O)N1 93733 [0,1,0,0,0,0|1,0,1]=3 143 B9R1.69 CC1=CC=C(N)C(N)=N1 C16371 [0,1,0,0,0,0|1,0,0]=2 144 B9R1.69 CC1=CC=C(N)C(O)=N1 68793 [0,1,0,0,0,0|1,0,0]=2 145 B9R1.69 CC1=CN=C(N)C(N)=C1 27799 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.69 CC1=CN=C(O)C=C1C AT24357 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.69 CC1=NC(=O)C(N)=CN1 O11345 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.69 CC1=NC(=O)[C@@H](N)C=N1 O11346 [0,1,0,0,0,0|2,0,1]=4 149 B9R1.69 CC1=NC(Br)=CN=C1Br N13385 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.69 CC1=NC(Cl)=C(I)C=N1 O11217 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.69 CC1=NN(C)C(=O)CC1 N16893 [0,1,0,0,0,0|1,0,2]=4 152 B9R1.69 CC1=[N+]([O-])C=CC(Cl)=C1 AT14034 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.69 ClC1=C(Br)C=C(Br)C=C1 N12666 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.69 ClC1=C(Cl)N=C(Br)C=C1 N12997 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.69 ClC1=CC=C(Br)N=C1Br C15980 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.69 FC1=C(Br)C=C(S)C=C1 AT20850 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.69 FC1=C(Br)C=NC(Cl)=N1 F51201 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.69 FC1=C(I)C=C(I)C=C1 AT18537 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.69 FC1=C(S)C=C(Br)C=C1 AT20849 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.69 FC1=C(S)C=C(Cl)C=C1 AT20862 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.69 FC1=CC(Br)=C(S)C=C1 AT20837 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.69 FC1=CC(S)=C(Br)C=C1 AT20853 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.69 NC1=C(F)C=C(Br)C=C1 36801 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.69 NC1=C(I)C=C(Cl)C=C1 F13699 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.69 NC1=C(O)C=CC(I)=C1 I10250 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.69 NC1=C(O)N=CC(Cl)=N1 C91505 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.69 NC1=C(S)C=C(Br)C=C1 AT20886 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.69 NC1=C(S)C=CC(F)=C1 C90392 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.69 NC1=CC(Br)=C(S)C=C1 AT20835 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.69 NC1=CC(Cl)=C(S)C=C1 AT20821 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.69 NC1=CC(I)=C(F)C=C1 98239 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.69 NC1=CC(O)=C(Br)C=C1 C91066 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.69 NC1=CC(S)=C(Cl)C=C1 AT20816 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.69 NC1=CC=C(Br)C(=O)N1 AT18218 [0,1,0,0,0,0|2,0,1]=4 175 B9R1.69 NC1=CC=C(F)C(Cl)=N1 91518 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.69 NC1=CC=C(F)C(F)=N1 N16971 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.69 NC1=CN=C(Cl)C(N)=N1 93309 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.69 NC1=CNC(=O)N=C1N W10167 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.69 NC1=NC(N)=C(Cl)C=C1 D87713 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.69 NC1=NC=C(Cl)N=C1I N11852 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.69 OC1=C(Cl)N=C(Br)C=C1 F30996 [0,1,0,0,0,0|2,0,0]=3 182 B9R1.69 OC1=C(I)C=CC(Cl)=N1 N10090 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.69 OC1=CC(I)=C(F)C=C1 79298 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.69 OC1=CC(S)=C(O)C=C1 79473 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.69 OC1=NC(Br)=C(I)C=C1 N10163 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.69 OC1=NC(Cl)=C(Br)C=C1 AC3279 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.69 SC1=C(Br)C=CC(Cl)=C1 AT20839 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.69 SC1=C(Cl)C=C(Br)C=C1 AT20954 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.69 SC1=CC(Cl)=C(Br)C=C1 AT20846 [0,1,0,0,0,0|3,0,0]=4 190 B7R0.2 C=CC(=O)C=C(C)C F12626 [0,0,1,0,0,0|2,0,1]=4 191 B7R0.4 C=C(C)CC\C=C\C T72820 [0,0,1,0,0,0|1,0,2]=4 192 B7R1.2 BrC1=CNC(Br)=N1 C16160 [0,0,0,0,1,0|3,0,0]=4 193 B7R1.2 CC1=CC(Br)=CO1 I11460 [0,0,0,0,1,0|3,0,0]=4 194 B7R1.2 CC1=CC(N)=CS1 27442 [0,0,0,0,1,0|3,0,0]=4 195 B7R1.2 CC1=CC=C(S)S1 AT16550 [0,0,0,0,1,0|2,0,0]=3 196 B7R1.2 CC1=CN=C(C)O1 AC5679 [0,0,0,0,1,0|2,0,0]=3 197 B7R1.2 CC1=CN=C(Cl)O1 AT18559 [0,0,0,0,1,0|3,0,0]=4 198 B7R1.2 CC1=CN=C(N)N1 27977 [0,0,0,0,1,0|2,0,1]=4 199 B7R1.2 CC1=COC(Br)=N1 AT18461 [0,0,0,0,1,0|2,0,0]=3 200 B7R1.2 CC1=COC(Cl)=N1 A51023 [0,0,0,0,1,0|2,0,0]=3 201 B7R1.2 CC1=CSC(N)=C1 N12877 [0,0,0,0,1,0|3,0,0]=4 202 B7R1.2 CC1=CSC(N)=C1 S11464 [0,0,0,0,1,0|3,0,0]=4 203 B7R1.2 CC1=CSC(S)=C1 AT16548 [0,0,0,0,1,0|3,0,0]=4 204 B7R1.2 CC1=NC(Br)=NN1 98648 [0,0,0,0,1,0|3,0,0]=4 205 B7R1.2 CC1=NC(Cl)=NN1 AT12255 [0,0,0,0,1,0|3,0,0]=4 206 B7R1.2 CC1=NC(N)=CS1 AC2762 [0,0,0,0,1,0|2,0,0]=3 207 B7R1.2 CC1=NC=C(Br)O1 AT18670 [0,0,0,0,1,0|3,0,0]=4 208 B7R1.2 CC1=NC=C(Cl)S1 AT15021 [0,0,0,0,1,0|3,0,0]=4 209 B7R1.2 CC1=NC=C(N)S1 D85841 [0,0,0,0,1,0|3,0,0]=4 210 B7R1.2 CC1=NSC(I)=N1 E72754 [0,0,0,0,1,0|3,0,0]=4 211 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [0,0,0,0,1,0|1,0,2]=4 212 B7R1.2 CN1C=CC(N)=C1 77871 [0,0,0,0,1,0|3,0,0]=4 213 B7R1.2 CN1C=C[N+](C)=C1 91466 [0,0,0,0,1,0|3,0,0]=4 214 B7R1.2 CN1C=NC(Cl)=N1 AT12342 [0,0,0,0,1,0|3,0,0]=4 215 B7R1.2 CN1C=NC(N)=N1 AT12103 [0,0,0,0,1,0|3,0,0]=4 216 B7R1.2 CN1N=CC(N)=N1 F13454 [0,0,0,0,1,0|3,0,0]=4 217 B7R1.2 ClC1=CC=C(I)S1 C74472 [0,0,0,0,1,0|3,0,0]=4 218 B7R1.2 FC1=NC(Br)=CS1 AT14873 [0,0,0,0,1,0|3,0,0]=4 219 B7R1.2 IC1=COC(I)=N1 D76854 [0,0,0,0,1,0|3,0,0]=4 220 B7R1.2 NC1=CC=C(Cl)S1 D87671 [0,0,0,0,1,0|3,0,0]=4 221 B7R1.2 NC1=CSC(Br)=N1 70972 [0,0,0,0,1,0|3,0,0]=4 222 B7R1.2 [2H]C1=CC=C([2H])S1 D99575 [0,0,0,0,1,0|3,0,0]=4 223 B7R1.4 BrC1=C(I)C=CS1 AT16380 [0,0,0,0,1,0|3,0,0]=4 224 B7R1.4 CC1=C(Br)C=NN1 O11185 [0,0,0,0,1,0|3,0,0]=4 225 B7R1.4 CC1=C(Br)OC=C1 F53471 [0,0,0,0,1,0|2,0,0]=3 226 B7R1.4 CC1=C(C)CNC1 AT22666 [0,0,0,0,1,0|1,0,2]=4 227 B7R1.4 CC1=C(I)NN=C1 72687 [0,0,0,0,1,0|3,0,0]=4 228 B7R1.4 CC1=C(N)C=NO1 AT19805 [0,0,0,0,1,0|3,0,0]=4 229 B7R1.4 CC1=C(N)N=CN1 C15418 [0,0,0,0,1,0|3,0,0]=4 230 B7R1.4 CC1=C(N)NN=C1 P11216 [0,0,0,0,1,0|3,0,0]=4 231 B7R1.4 CC1=C(S)C=CS1 A10974 [0,0,0,0,1,0|2,0,0]=3 232 B7R1.4 CC1=CNN=C1I 72684 [0,0,0,0,1,0|3,0,0]=4 233 B7R1.4 CC1=NNC=C1Cl AT10929 [0,0,0,0,1,0|3,0,0]=4 234 B7R1.4 CC1=NOC=C1N AT19806 [0,0,0,0,1,0|3,0,0]=4 235 B7R1.4 CN1N=CC=C1Cl AT15843 [0,0,0,0,1,0|3,0,0]=4 236 B7R1.4 NC1=C(Br)C=CS1 C16366 [0,0,0,0,1,0|3,0,0]=4 237 B7R1.4 NC1=C(Cl)SC=C1 AT16569 [0,0,0,0,1,0|3,0,0]=4 238 B6R0.4 C=C\C=C/C(=O)O C74528 [1,0,1,0,0,0|2,0,0]=4 239 B6R0.4 C=C\C=C\C(=O)O 35918 [1,0,1,0,0,0|2,0,0]=4 240 B6R0.6 O=C\C=C\C=C\[O-] 98104 [1,0,1,0,0,0|2,0,0]=4 241 B8R1.2 BrCC1=NC=CC=N1 D79434 [1,1,0,0,0,0|1,0,0]=3 242 B8R1.2 C=CC1=NC=CN=C1 T72447 [1,1,0,0,0,0|1,0,1]=4 243 B8R1.2 CNC1=CC=CN=N1 79165 [1,1,0,0,0,0|1,0,0]=3 244 B8R1.2 CSC1=NC=CC=N1 O10841 [1,1,0,0,0,0|1,0,0]=3 245 B8R1.2 ClCC1=NC=NC=C1 A10562 [1,1,0,0,0,0|1,0,0]=3 246 B8R1.2 NCC1=CC=CC=C1 T70846 [1,1,0,0,0,0|1,0,0]=3 247 B8R1.2 NNC1=CC=CN=N1 C15759 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.2 NNC1=NC=NC=C1 57488 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.2 SCC1=NC=CN=C1 78318 [1,1,0,0,0,0|1,0,0]=3 250 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.3 BrC1=NN=C(I)C=C1 AT17784 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.3 CC1=CN=C(C)N=C1 C15366 [1,1,0,0,0,0|1,0,0]=3 253 B8R1.3 CC1=CN=C(Cl)N=C1 F13414 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.3 CC1=CN=C(I)N=C1 90174 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.3 CC1=CN=C(O)N=C1 W10551 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.3 CC1=NC=C(I)C=N1 82252 [1,1,0,0,0,0|1,0,0]=3 257 B8R1.3 FC1=CN=C(I)N=C1 89571 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.3 FC1=NC=C(Cl)C=N1 AT18407 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.3 NC1=CC=C(N)N=N1 D78632 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.3 NC1=CN=C(O)C=N1 N13380 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.3 NC1=CN=C(S)C=C1 AT20609 [1,1,0,0,0,0|1,0,0]=3 262 B8R1.3 NC1=NC=C(O)C=N1 D78823 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.3 NC1=NC=C([S-])C=N1 F51717 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.3 NC1=NNC(=O)C=C1 AT17777 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.3 O=C1C=CC(=O)N=N1 83325 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.3 O=C1C=CC(F)=NN1 AT24740 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.3 S=C1N=CC(Cl)=CN1 O11414 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.3 [2H]C1=CC=C(Cl)C=C1 D98354 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.3 [2H]C1=CC=C([2H])C=C1 D99669 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.5 BrC1=CN=CN=C1I P11647 [1,1,0,0,0,0|2,0,0]=4 271 B8R1.5 CC1=CN=CN=C1Cl 72600 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.5 CC1=NC=CN=C1I P10643 [1,1,0,0,0,0|1,0,0]=3 273 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [1,1,0,0,0,0|0,0,1]=3 274 B8R1.5 FC1=CC=CN=C1S AT18759 [1,1,0,0,0,0|1,0,0]=3 275 B8R1.5 FC1=NC=CN=C1I D76573 [1,1,0,0,0,0|2,0,0]=4 276 B8R1.5 IC1=NC=CN=C1I N13386 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.5 OC1=C(Cl)C=NC=N1 25825 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.5 [2H]C1=C([2H])C=CC=C1 D97880 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.5 [O-][N+]1=C([S-])C=CC=C1 S12409 [1,1,0,0,0,0|1,0,1]=4 281 B8R1.1 BrCC1=CC=C(Br)O1 55253 [0,1,0,0,1,0|2,0,0]=4 282 B8R1.1 BrCC1=CC=C(Br)S1 AC9027 [0,1,0,0,1,0|2,0,0]=4 283 B8R1.1 BrCC1=CSC(Br)=N1 AT14625 [0,1,0,0,1,0|2,0,0]=4 284 B8R1.1 BrCC1=NC(Br)=CS1 82078 [0,1,0,0,1,0|2,0,0]=4 285 B8R1.1 C#CC1=NC(C)=CS1 C74016 [0,1,0,0,1,0|1,0,1]=4 286 B8R1.1 CC1=CC(CN)=CO1 AT17525 [0,1,0,0,1,0|2,0,0]=4 287 B8R1.1 CC1=CC(CO)=CO1 AT17479 [0,1,0,0,1,0|2,0,0]=4 288 B8R1.1 CC1=CC(CO)=CS1 AT16765 [0,1,0,0,1,0|2,0,0]=4 289 B8R1.1 CC1=CN=C(CCl)O1 AT18576 [0,1,0,0,1,0|2,0,0]=4 290 B8R1.1 CC1=CN=C(CN)O1 P18975 [0,1,0,0,1,0|2,0,0]=4 291 B8R1.1 CC1=CN=C(CN)S1 32702 [0,1,0,0,1,0|2,0,0]=4 292 B8R1.1 CC1=CN=C(CO)N1 P12877 [0,1,0,0,1,0|1,0,1]=4 293 B8R1.1 CC1=CN=C(CO)O1 AT18512 [0,1,0,0,1,0|2,0,0]=4 294 B8R1.1 CC1=COC(CO)=C1 AT17124 [0,1,0,0,1,0|2,0,0]=4 295 B8R1.1 CC1=NC(C#N)=CO1 AT18597 [0,1,0,0,1,0|1,0,1]=4 296 B8R1.1 CC1=NC(CCl)=CN1 AT15569 [0,1,0,0,1,0|1,0,0]=3 297 B8R1.1 CC1=NC(CN)=CN1 AT15472 [0,1,0,0,1,0|1,0,0]=3 298 B8R1.1 CC1=NC(CN)=CO1 C71257 [0,1,0,0,1,0|1,0,0]=3 299 B8R1.1 CC1=NC(CN)=CO1 D83900 [0,1,0,0,1,0|1,0,0]=3 300 B8R1.1 CC1=NC(CN)=CS1 D86402 [0,1,0,0,1,0|1,0,0]=3 301 B8R1.1 CC1=NC=C(CCl)O1 C77476 [0,1,0,0,1,0|2,0,0]=4 302 B8R1.1 CC1=NC=C(CCl)S1 AT15077 [0,1,0,0,1,0|2,0,0]=4 303 B8R1.1 CC1=NC=C(CO)N1 W10507 [0,1,0,0,1,0|1,0,1]=4 304 B8R1.1 CC1=NC=C(CO)O1 F12980 [0,1,0,0,1,0|2,0,0]=4 305 B8R1.1 CC1=NNC(CCl)=N1 AT12311 [0,1,0,0,1,0|2,0,0]=4 306 B8R1.1 CC1=NNC(CO)=N1 AT12312 [0,1,0,0,1,0|2,0,0]=4 307 B8R1.1 CCC1=CC=C(S)S1 AT16555 [0,1,0,0,1,0|2,0,0]=4 308 B8R1.1 CCC1=CSC(Br)=N1 32166 [0,1,0,0,1,0|2,0,0]=4 309 B8R1.1 CCC1=NC(Br)=CN1 AT15316 [0,1,0,0,1,0|2,0,0]=4 310 B8R1.1 CCC1=NN(C)C=C1 C91459 [0,1,0,0,1,0|1,0,0]=3 311 B8R1.1 CCN1C=CC(Br)=N1 AT15804 [0,1,0,0,1,0|2,0,0]=4 312 B8R1.1 CCN1C=CC(Cl)=N1 E72194 [0,1,0,0,1,0|2,0,0]=4 313 B8R1.1 CCN1C=CC(O)=N1 AT14005 [0,1,0,0,1,0|2,0,0]=4 314 B8R1.1 CN1C=CC(CBr)=N1 AT15924 [0,1,0,0,1,0|1,0,0]=3 315 B8R1.1 CN1C=CC(CCl)=N1 AT15950 [0,1,0,0,1,0|1,0,0]=3 316 B8R1.1 CN1C=CC(CN)=C1 AT16243 [0,1,0,0,1,0|2,0,0]=4 317 B8R1.1 CN1C=NC(CN)=N1 P12179 [0,1,0,0,1,0|2,0,0]=4 318 B8R1.1 CN1N=CC(CBr)=N1 95943 [0,1,0,0,1,0|2,0,0]=4 319 B8R1.1 CN1N=CC(CO)=N1 95942 [0,1,0,0,1,0|2,0,0]=4 320 B8R1.1 CNC1=NN(C)C=C1 AT14076 [0,1,0,0,1,0|1,0,0]=3 321 B8R1.1 COC1=CC=C(Br)S1 N10622 [0,1,0,0,1,0|2,0,0]=4 322 B8R1.1 COC1=CSC(Br)=N1 AT14677 [0,1,0,0,1,0|2,0,0]=4 323 B8R1.1 COC1=NN(C)C=C1 AT24917 [0,1,0,0,1,0|1,0,0]=3 324 B8R1.1 ClC1=CC=C(CBr)S1 AT16577 [0,1,0,0,1,0|2,0,0]=4 325 B8R1.1 ClC1=NC(CBr)=CS1 AT15272 [0,1,0,0,1,0|2,0,0]=4 326 B8R1.1 ClCC1=CC=C(Br)S1 AT16373 [0,1,0,0,1,0|2,0,0]=4 327 B8R1.1 ClCC1=NC(Cl)=CS1 AT15212 [0,1,0,0,1,0|2,0,0]=4 328 B8R1.1 NC1=NC(CCl)=CS1 37206 [0,1,0,0,1,0|2,0,0]=4 329 B8R1.1 NCC1=CC=C(Br)O1 79914 [0,1,0,0,1,0|2,0,0]=4 330 B8R1.1 NCC1=CC=C(Br)O1 94512 [0,1,0,0,1,0|2,0,0]=4 331 B8R1.1 NCC1=CC=C(Cl)S1 P19111 [0,1,0,0,1,0|2,0,0]=4 332 B8R1.1 NCC1=CSC(Br)=N1 AT14626 [0,1,0,0,1,0|2,0,0]=4 333 B8R1.1 NCC1=CSC(Cl)=N1 AT14764 [0,1,0,0,1,0|2,0,0]=4 334 B8R1.1 NCC1=NC(Cl)=CS1 AT15205 [0,1,0,0,1,0|2,0,0]=4 335 B8R1.1 OCC1=COC(Cl)=N1 P10563 [0,1,0,0,1,0|2,0,0]=4 336 B8R1.1 OCC1=CSC(F)=N1 AT14869 [0,1,0,0,1,0|2,0,0]=4 337 B8R1.18 CC1=C(C)OC(Br)=N1 AT18457 [0,1,0,0,1,0|2,0,0]=4 338 B8R1.18 CC1=C(C)OC(S)=N1 AT18536 [0,1,0,0,1,0|2,0,0]=4 339 B8R1.18 CC1=C(C)SC(Br)=C1 95200 [0,1,0,0,1,0|2,0,0]=4 340 B8R1.18 CC1=CC(C)=C(S)S1 AT16553 [0,1,0,0,1,0|2,0,0]=4 341 B8R1.18 CC1=CC(I)=C(C)S1 CS2241 [0,1,0,0,1,0|1,0,0]=3 342 B8R1.18 CC1=CN(C)C(Br)=N1 71593 [0,1,0,0,1,0|2,0,0]=4 343 B8R1.18 CC1=NN(C)C(Br)=N1 AT12326 [0,1,0,0,1,0|2,0,0]=4 344 B8R1.18 CC1=NN(C)C(Cl)=N1 AT12325 [0,1,0,0,1,0|2,0,0]=4 345 B8R1.18 CC1=NN(C)C(I)=C1 71879 [0,1,0,0,1,0|1,0,0]=3 346 B8R1.18 CC1=NN(C)C(N)=N1 AT12327 [0,1,0,0,1,0|2,0,0]=4 347 B8R1.18 CC1=NN(C)C=C1N CL3439 [0,1,0,0,1,0|1,0,0]=3 348 B8R1.18 CN1C=C(Br)C(O)=N1 AT14036 [0,1,0,0,1,0|2,0,0]=4 349 B8R1.18 CN1C=C(Cl)C(N)=N1 AT14074 [0,1,0,0,1,0|2,0,0]=4 350 B8R1.18 CN1C=C(I)C(O)=N1 AT14039 [0,1,0,0,1,0|2,0,0]=4 351 B8R1.18 CN1C=C(N)C(Br)=N1 AT13631 [0,1,0,0,1,0|2,0,0]=4 352 B8R1.18 CN1N=C(Cl)C=C1N P14551 [0,1,0,0,1,0|2,0,0]=4 353 B8R1.18 CN1N=C(I)C=C1F P15024 [0,1,0,0,1,0|2,0,0]=4 354 B8R1.18 CN1N=C(N)C=C1N F17296 [0,1,0,0,1,0|2,0,0]=4 355 B8R1.50 CC1=CC=C(C)N1N AT25958 [0,1,0,0,1,0|0,0,1]=3 356 B8R1.11 BrCC1=CSC=C1Br 88259 [0,1,0,0,1,0|2,0,0]=4 357 B8R1.11 CC1=C(C#N)C=CO1 AT17522 [0,1,0,0,1,0|1,0,1]=4 358 B8R1.11 CC1=C(C=O)C=CS1 AT16762 [0,1,0,0,1,0|1,0,1]=4 359 B8R1.11 CC1=C(CBr)SC=N1 AT24615 [0,1,0,0,1,0|2,0,0]=4 360 B8R1.11 CC1=C(CCl)C=NO1 AC2811 [0,1,0,0,1,0|2,0,0]=4 361 B8R1.11 CC1=C(CCl)N=CS1 AT15300 [0,1,0,0,1,0|2,0,0]=4 362 B8R1.11 CC1=C(CCl)OC=N1 C11081 [0,1,0,0,1,0|2,0,0]=4 363 B8R1.11 CC1=C(CCl)SC=N1 74336 [0,1,0,0,1,0|2,0,0]=4 364 B8R1.11 CC1=C(CCl)SC=N1 AT15073 [0,1,0,0,1,0|2,0,0]=4 365 B8R1.11 CC1=C(CN)C=CO1 AT17524 [0,1,0,0,1,0|1,0,0]=3 366 B8R1.11 CC1=C(CN)C=CO1 AT17541 [0,1,0,0,1,0|1,0,0]=3 367 B8R1.11 CC1=C(CN)C=CS1 AT16801 [0,1,0,0,1,0|1,0,0]=3 368 B8R1.11 CC1=C(CN)C=NO1 72465 [0,1,0,0,1,0|2,0,0]=4 369 B8R1.11 CC1=C(CN)C=NO1 W10068 [0,1,0,0,1,0|2,0,0]=4 370 B8R1.11 CC1=C(CN)N=CN1 AT15470 [0,1,0,0,1,0|2,0,0]=4 371 B8R1.11 CC1=C(CN)N=CO1 AT18605 [0,1,0,0,1,0|2,0,0]=4 372 B8R1.11 CC1=C(CN)NC=N1 F19544 [0,1,0,0,1,0|2,0,0]=4 373 B8R1.11 CC1=C(CN)OC=C1 AT17196 [0,1,0,0,1,0|1,0,0]=3 374 B8R1.11 CC1=C(CN)OC=N1 AT18687 [0,1,0,0,1,0|2,0,0]=4 375 B8R1.11 CC1=C(CN)SC=C1 71361 [0,1,0,0,1,0|1,0,0]=3 376 B8R1.11 CC1=C(CO)N=CS1 AT21447 [0,1,0,0,1,0|2,0,0]=4 377 B8R1.11 CC1=C(CO)ON=C1 A51017 [0,1,0,0,1,0|2,0,0]=4 378 B8R1.11 CC1=C(CO)SC=N1 74180 [0,1,0,0,1,0|2,0,0]=4 379 B8R1.11 CC1=CNC=C1C#N AT16242 [0,1,0,0,1,0|1,0,1]=4 380 B8R1.11 CC1=CNN=C1CCl AT15943 [0,1,0,0,1,0|2,0,0]=4 381 B8R1.11 CC1=CON=C1CO 95084 [0,1,0,0,1,0|2,0,0]=4 382 B8R1.11 CC1=CSC=C1CN AT16790 [0,1,0,0,1,0|1,0,0]=3 383 B8R1.11 CC1=NOC=C1CCl AT19032 [0,1,0,0,1,0|2,0,0]=4 384 B8R1.11 CC1=NSC=C1CO AT21132 [0,1,0,0,1,0|2,0,0]=4 385 B8R1.11 CCN1C=CN=C1C F16031 [0,1,0,0,1,0|2,0,0]=4 386 B8R1.11 CN1C=CN=C1CBr AT15680 [0,1,0,0,1,0|2,0,0]=4 387 B8R1.11 CN1C=CN=C1CN AT15625 [0,1,0,0,1,0|2,0,0]=4 388 B8R1.11 CN1C=NC=C1CBr O11296 [0,1,0,0,1,0|2,0,0]=4 389 B8R1.11 CN1C=NC=C1CCl 94781 [0,1,0,0,1,0|2,0,0]=4 390 B8R1.11 CN1N=CC=C1CBr AT15925 [0,1,0,0,1,0|2,0,0]=4 391 B8R1.11 CNC1=CC=NN1C AT14117 [0,1,0,0,1,0|2,0,0]=4 392 B8R1.11 CNC1=CN=CN1C 98139 [0,1,0,0,1,0|2,0,0]=4 393 B8R1.11 CNC1=CSN=C1C AT21113 [0,1,0,0,1,0|2,0,0]=4 394 B8R1.11 CNC1=NC=CN1C AT15602 [0,1,0,0,1,0|2,0,0]=4 395 B8R1.11 CNC1=NNC=C1C 57305 [0,1,0,0,1,0|2,0,0]=4 396 B8R1.11 COC1=C(Br)C=CS1 AT16340 [0,1,0,0,1,0|2,0,0]=4 397 B8R1.11 COC1=C(C)C=CS1 91670 [0,1,0,0,1,0|1,0,0]=3 398 B8R1.11 C[S@H]1C=CC=C1CN AT17306 [0,1,0,0,1,0|1,0,0]=3 399 B8R1.11 ClCC1=C(Br)C=CS1 AT16718 [0,1,0,0,1,0|2,0,0]=4 400 B8R1.11 ClCC1=C(Cl)C=CS1 AT16716 [0,1,0,0,1,0|2,0,0]=4 401 B8R1.11 ClCC1=C(Cl)SC=C1 AT17068 [0,1,0,0,1,0|2,0,0]=4 402 B8R1.11 NCC1=C(Br)C=CS1 P10346 [0,1,0,0,1,0|2,0,0]=4 403 B8R1.11 NCC1=CSC=C1Br AT16740 [0,1,0,0,1,0|2,0,0]=4 404 B8R1.11 NCC1=CSC=C1Cl AT16880 [0,1,0,0,1,0|2,0,0]=4 405 B8R1.11 OCC1=C(Cl)SC=C1 AT16564 [0,1,0,0,1,0|2,0,0]=4 406 B8R1.11 OCC1=CSC=C1Br 88258 [0,1,0,0,1,0|2,0,0]=4 407 B8R1.11 OCC1=CSC=C1Cl AT16882 [0,1,0,0,1,0|2,0,0]=4 408 B10R1.2 CC1=C(F)C=CC=C1CN N12172 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.2 CC1=C(O)C=CC=C1CO 56654 [0,2,0,0,0,0|2,0,0]=4 410 B10R1.2 CC1=CC=CC(C#N)=C1S AT20894 [0,2,0,0,0,0|1,0,1]=4 411 B10R1.2 CC1=CC=CC(CN)=C1O N10504 [0,2,0,0,0,0|1,0,0]=3 412 B10R1.2 CCC1=C(Br)C(C)=CC=C1 D85933 [0,2,0,0,0,0|1,0,0]=3 413 B10R1.2 CCC1=CC=CC(Cl)=C1N W13802 [0,2,0,0,0,0|2,0,0]=4 414 B10R1.2 CN1C=CC=C(CN)C1=O P11876 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.2 CNC1=CC=CC(F)=C1N AC7422 [0,2,0,0,0,0|2,0,0]=4 416 B10R1.2 COC1=C(N)C(N)=CC=C1 F52601 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.2 COC1=C(O)C(N)=CC=C1 O10655 [0,2,0,0,0,0|2,0,0]=4 418 B10R1.2 COC1=CC=CC(Cl)=C1N CL9246 [0,2,0,0,0,0|2,0,0]=4 419 B10R1.2 COC1=CC=CC(S)=C1N AT19649 [0,2,0,0,0,0|2,0,0]=4 420 B10R1.2 CSC1=C(C)C(N)=CC=C1 AT20858 [0,2,0,0,0,0|2,0,0]=4 421 B10R1.2 CSC1=CC=CC(Br)=C1C AC7030 [0,2,0,0,0,0|2,0,0]=4 422 B10R1.2 NCC1=CC=CC(F)=C1O N12979 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.2 NCC1=CC=CC(I)=C1Cl C72087 [0,2,0,0,0,0|2,0,0]=4 424 B10R1.2 OCC1=CC=CC(Cl)=C1F A12360 [0,2,0,0,0,0|2,0,0]=4 425 B10R1.8 C#CC1=NC(C)=CC(C)=N1 AT18277 [0,2,0,0,0,0|1,0,1]=4 426 B10R1.8 CC1=CC(C)=NC(C=O)=N1 P20555 [0,2,0,0,0,0|1,0,1]=4 427 B10R1.8 CC1=CC(C)=NC(CN)=N1 79538 [0,2,0,0,0,0|1,0,0]=3 428 B10R1.8 CC1=CC(CCl)=CC(Cl)=N1 57849 [0,2,0,0,0,0|1,0,0]=3 429 B10R1.8 CC1=CC(CCl)=NC(C)=C1 O10512 [0,2,0,0,0,0|0,0,0]=2 430 B10R1.8 CC1=CC(CN)=CC(Cl)=N1 57851 [0,2,0,0,0,0|1,0,0]=3 431 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 C77358 [0,2,0,0,0,0|0,0,1]=3 432 B10R1.8 CC1=NC(N)=NC(NN)=C1 H10086 [0,2,0,0,0,0|2,0,0]=4 433 B10R1.8 CCC1=CC(C)=CC(Br)=C1 C90915 [0,2,0,0,0,0|1,0,0]=3 434 B10R1.8 CCC1=CC(Cl)=NC(C)=N1 76084 [0,2,0,0,0,0|1,0,0]=3 435 B10R1.8 CCC1=CC(N)=NC(C)=N1 CS1422 [0,2,0,0,0,0|1,0,0]=3 436 B10R1.8 CNC1=CC(C)=NC(C)=C1 78071 [0,2,0,0,0,0|0,0,0]=2 437 B10R1.8 CNC1=CC(F)=NC(F)=C1 56960 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.8 CNC1=CC(I)=CC(Br)=C1 F14267 [0,2,0,0,0,0|2,0,0]=4 439 B10R1.8 CNC1=NC(C)=CC(Cl)=N1 C80055 [0,2,0,0,0,0|1,0,0]=3 440 B10R1.8 COC1=CC(Br)=NC(F)=C1 P18763 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.8 COC1=CC(Br)=NC(O)=C1 AT10291 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.8 COC1=CC(I)=CC(Cl)=N1 N10142 [0,2,0,0,0,0|1,0,0]=3 443 B10R1.8 COC1=CC(I)=CC(F)=C1 AT12533 [0,2,0,0,0,0|2,0,0]=4 444 B10R1.8 COC1=C[C@@H](C)C=C(C)C1 AC6323 [0,2,0,0,0,0|1,0,1]=4 445 B10R1.8 COC1=NC(C)=CC(C)=N1 H10099 [0,2,0,0,0,0|1,0,0]=3 446 B10R1.8 COC1=NC(I)=CC(I)=N1 97034 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.8 COC1=NC(N)=NC(O)=C1 N11825 [0,2,0,0,0,0|2,0,0]=4 448 B10R1.8 COC1=NC(O)=CC(O)=N1 23223 [0,2,0,0,0,0|2,0,0]=4 449 B10R1.8 COC1=NC(O)=NC(C)=C1 C16076 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.8 CSC1=NC(Cl)=NC(Cl)=C1 AT23721 [0,2,0,0,0,0|2,0,0]=4 451 B10R1.8 FCC1=CC(Br)=CC(F)=C1 94378 [0,2,0,0,0,0|2,0,0]=4 452 B10R1.8 FCC1=CC(I)=CC(F)=C1 94383 [0,2,0,0,0,0|2,0,0]=4 453 B10R1.8 NCC1=CC(Cl)=CC(Cl)=N1 C91444 [0,2,0,0,0,0|1,0,0]=3 454 B10R1.8 NCC1=CC(Cl)=CC(Cl)=N1 D81608 [0,2,0,0,0,0|1,0,0]=3 455 B10R1.8 O=CC1=CC(F)=CC(Br)=N1 N10043 [0,2,0,0,0,0|1,0,1]=4 456 B10R1.8 OCC1=CC(I)=CC(F)=C1 94382 [0,2,0,0,0,0|2,0,0]=4 457 B10R1.8 OCC1=CC(S)=CC(S)=C1 F19554 [0,2,0,0,0,0|2,0,0]=4 458 B10R1.8 OCC1=NC(O)=CC(O)=N1 AT21036 [0,2,0,0,0,0|2,0,0]=4 459 B10R1.10 CC#CC1=CC=CC(Cl)=N1 94007 [0,2,0,0,0,0|1,0,0]=3 460 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [0,2,0,0,0,0|1,0,0]=3 461 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [0,2,0,0,0,0|0,0,0]=2 462 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [0,2,0,0,0,0|0,0,0]=2 463 B10R1.10 CC1=NC=CC(CNN)=C1 F52070 [0,2,0,0,0,0|2,0,0]=4 464 B10R1.10 CC1=NC=CC(CNN)=C1 F52466 [0,2,0,0,0,0|2,0,0]=4 465 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [0,2,0,0,0,0|2,0,0]=4 466 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [0,2,0,0,0,0|2,0,0]=4 467 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [0,2,0,0,0,0|2,0,0]=4 468 B10R1.10 CCNC1=CN=CC(Cl)=N1 F15512 [0,2,0,0,0,0|2,0,0]=4 469 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [0,2,0,0,0,0|2,0,0]=4 470 B10R1.10 CCOC1=NC(N)=NC=C1 AT18300 [0,2,0,0,0,0|2,0,0]=4 471 B10R1.10 CCOC1=NC=CC(Br)=N1 70402 [0,2,0,0,0,0|2,0,0]=4 472 B10R1.10 CCOC1=NC=CC(Cl)=N1 I11353 [0,2,0,0,0,0|2,0,0]=4 473 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [0,2,0,0,0,0|2,0,0]=4 474 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [0,2,0,0,0,0|0,0,0]=2 475 B10R1.10 COCC1=CC(N)=CC=C1 30379 [0,2,0,0,0,0|2,0,0]=4 476 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [0,2,0,0,0,0|2,0,0]=4 477 B10R1.10 N#CCC1=CC=CC(Cl)=N1 O10491 [0,2,0,0,0,0|1,0,0]=3 478 B10R1.10 N#CCC1=CC=NC(Cl)=N1 F30312 [0,2,0,0,0,0|2,0,0]=4 479 B10R1.10 N#CCC1=NC(N)=CC=N1 AT18270 [0,2,0,0,0,0|2,0,0]=4 480 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [0,2,0,0,0,0|2,0,0]=4 481 B10R1.10 NNCC1=CC=CC(Cl)=C1 P15270 [0,2,0,0,0,0|2,0,0]=4 482 B10R1.10 NNCC1=CC=CC(O)=C1 D87672 [0,2,0,0,0,0|2,0,0]=4 483 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [0,2,0,0,0,0|2,0,0]=4 484 B10R1.10 S=C=NC1=CC=CC(Br)=N1 92010 [0,2,0,0,0,0|1,0,1]=4 485 B10R1.30 BrCC1=C(Br)C=CC(Br)=C1 68639 [0,2,0,0,0,0|2,0,0]=4 486 B10R1.30 BrCC1=C(Br)C=CC(I)=C1 CL9154 [0,2,0,0,0,0|2,0,0]=4 487 B10R1.30 BrCC1=C(I)C=CC(Br)=C1 CL9155 [0,2,0,0,0,0|2,0,0]=4 488 B10R1.30 CC1=C(CBr)C=C(Cl)C=C1 73456 [0,2,0,0,0,0|2,0,0]=4 489 B10R1.30 CC1=C(CO)C=C(O)C=C1 AC3540 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.30 CC1=C(CO)N=C(Br)C=C1 AT18411 [0,2,0,0,0,0|1,0,0]=3 491 B10R1.30 CC1=CC(C#N)=C(S)C=C1 AT20893 [0,2,0,0,0,0|1,0,1]=4 492 B10R1.30 CC1=CC(CBr)=C(F)C=C1 98276 [0,2,0,0,0,0|1,0,0]=3 493 B10R1.30 CC1=CC(CO)=C(I)C=C1 H11526 [0,2,0,0,0,0|1,0,0]=3 494 B10R1.30 CC1=CC=C(C)C(C#N)=N1 Y10193 [0,2,0,0,0,0|0,0,1]=3 495 B10R1.30 CC1=CC=C(N)C(C#N)=N1 68796 [0,2,0,0,0,0|0,0,1]=3 496 B10R1.30 CC1=CN=C(Cl)C(CO)=C1 D85930 [0,2,0,0,0,0|2,0,0]=4 497 B10R1.30 CC1=NC(C#N)=C(F)C=C1 C91533 [0,2,0,0,0,0|0,0,1]=3 498 B10R1.30 CC1=NC(C#N)=C(O)C=C1 57115 [0,2,0,0,0,0|0,0,1]=3 499 B10R1.30 CC1=NC(CO)=C(F)C=C1 C91534 [0,2,0,0,0,0|0,0,0]=2 500 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [0,2,0,0,0,0|1,0,0]=3 501 B10R1.30 CNC1=C(Br)C=NC(Cl)=N1 84354 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.30 CNC1=C(Cl)C=NC(Cl)=N1 83928 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.30 CNC1=C(F)C=CC(Br)=C1 AC3023 [0,2,0,0,0,0|2,0,0]=4 504 B10R1.30 CNC1=C(I)C=NC(Cl)=N1 F30750 [0,2,0,0,0,0|2,0,0]=4 505 B10R1.30 CNC1=C(N)C=CC(Cl)=C1 C76710 [0,2,0,0,0,0|2,0,0]=4 506 B10R1.30 CNC1=C(N)C=NC(Cl)=N1 AC4727 [0,2,0,0,0,0|2,0,0]=4 507 B10R1.30 CNC1=C(O)C=CC(C)=C1 C16345 [0,2,0,0,0,0|1,0,0]=3 508 B10R1.30 CNC1=NC(C)=CC=C1N S10557 [0,2,0,0,0,0|0,0,0]=2 509 B10R1.30 COC1=C(C)C=CC(O)=C1 AT19376 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.30 COC1=C(Cl)C=CC(N)=N1 A12809 [0,2,0,0,0,0|1,0,0]=3 511 B10R1.30 COC1=C(I)C=CC(Cl)=N1 AT11606 [0,2,0,0,0,0|1,0,0]=3 512 B10R1.30 COC1=C(S)C=CC(N)=C1 D87749 [0,2,0,0,0,0|2,0,0]=4 513 B10R1.30 CSC1=C(Br)C=CC(Br)=C1 C13369 [0,2,0,0,0,0|2,0,0]=4 514 B10R1.30 CSC1=C(N)C=CC(C)=C1 AT20827 [0,2,0,0,0,0|1,0,0]=3 515 B10R1.30 ClC1=NC(CBr)=C(Br)C=C1 52492 [0,2,0,0,0,0|1,0,0]=3 516 B10R1.30 FC1=NC(CBr)=C(Br)C=C1 85647 [0,2,0,0,0,0|1,0,0]=3 517 B10R1.30 FCC1=C(F)C=CC(Br)=N1 C92966 [0,2,0,0,0,0|1,0,0]=3 518 B10R1.30 N#CC1=C(F)C=CC(Br)=N1 C91421 [0,2,0,0,0,0|1,0,1]=4 519 B10R1.30 N#CC1=C(O)C=CC(Br)=N1 93874 [0,2,0,0,0,0|1,0,1]=4 520 B10R1.30 NC1=C(C=O)N=C(Cl)C=C1 O10939 [0,2,0,0,0,0|1,0,1]=4 521 B10R1.30 NCC1=C(Br)C=CC(F)=C1 AC7757 [0,2,0,0,0,0|2,0,0]=4 522 B10R1.30 NCC1=C(Br)C=CC(O)=C1 D88088 [0,2,0,0,0,0|2,0,0]=4 523 B10R1.30 NCC1=C(F)C=CC(N)=C1 AC9197 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.30 NCC1=C(I)C=CC(Br)=C1 67324 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.30 NCC1=C(N)C=CC(Br)=C1 O10495 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.30 NCC1=C(N)C=CC(F)=C1 CK2412 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.30 NCC1=C(O)C=CC(Br)=C1 76231 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.30 NNC1=C(Br)C=CC(Cl)=N1 AT20364 [0,2,0,0,0,0|2,0,0]=4 529 B10R1.30 NNC1=C(Br)C=CC(Cl)=N1 W10755 [0,2,0,0,0,0|2,0,0]=4 530 B10R1.30 OCC1=C(F)C=CC(Cl)=N1 A10682 [0,2,0,0,0,0|1,0,0]=3 531 B10R1.30 OCC1=NC(Br)=CN=C1Br 53048 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [0,2,0,0,0,0|1,0,0]=3 534 B10R1.113 CC(C)C1=NC=CC(Cl)=N1 W12563 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.113 CC1=CC(C(F)F)=NC=C1 C91253 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.113 CC1=CC=CC(B([O-])O)=N1 AT15842 [0,2,0,0,0,0|1,0,0]=3 537 B10R1.113 CC1=CC=CC(C(=N)N)=N1 74734 [0,2,0,0,0,0|0,0,1]=3 538 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [0,2,0,0,0,0|1,0,0]=3 539 B10R1.113 CC1=CC=CC(N(C)C)=N1 N10110 [0,2,0,0,0,0|0,0,0]=2 540 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 N13137 [0,2,0,0,0,0|0,0,0]=2 541 B10R1.113 CC1=CC=NC(C(=N)N)=N1 38082 [0,2,0,0,0,0|1,0,1]=4 542 B10R1.113 CC1=NC=CC(C(C)C)=N1 O11252 [0,2,0,0,0,0|1,0,0]=3 543 B10R1.113 CC1=NC=CC([C@H](C)O)=C1 F13150 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.113 CN(C)C1=CC=CC(F)=N1 AT20362 [0,2,0,0,0,0|1,0,0]=3 545 B10R1.113 CN(C)C1=NC=CC(O)=N1 AT18298 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.113 CN(N)C1=CC=CC(Br)=N1 95484 [0,2,0,0,0,0|1,0,0]=3 547 B10R1.113 C[C@H](Br)C1=CC(Cl)=CC=C1 55213 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=C1 55217 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=N1 55243 [0,2,0,0,0,0|1,0,0]=3 550 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90539 [0,2,0,0,0,0|1,0,0]=3 551 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90540 [0,2,0,0,0,0|1,0,0]=3 552 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70883 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y11581 [0,2,0,0,0,0|2,0,0]=4 554 B10R1.113 C[C@H](N)C1=CC=CC(N)=N1 D81409 [0,2,0,0,0,0|1,0,0]=3 555 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 F16880 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1245 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.113 C[C@H](O)C1=CC=CC(F)=N1 AT10689 [0,2,0,0,0,0|1,0,0]=3 558 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 59959 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50248 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50315 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.113 FC(F)C1=CC=CC(S)=C1 97706 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.113 FC(F)C1=NC=CC(Br)=N1 P20636 [0,2,0,0,0,0|2,0,0]=4 563 B10R1.113 FC(F)C1=NC=CC(Cl)=N1 D78848 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.113 FC1=NC(C(F)F)=CC=C1 E72212 [0,2,0,0,0,0|1,0,0]=3 565 B10R1.113 N=C(N)C1=CC=CC(Br)=N1 O11565 [0,2,0,0,0,0|1,0,1]=4 566 B10R1.113 O=[N+]([O-])C1=NC(O)=CC=C1 D83533 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.172 BrCC1=CC=CC(CBr)=N1 AC6696 [0,2,0,0,0,0|0,0,0]=2 568 B10R1.172 BrCC1=CN=CC(CBr)=C1 C11061 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.172 BrCC1=CN=CC(CBr)=C1 F30548 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.172 C#CC1=CC=CC(C#C)=N1 T71310 [0,2,0,0,0,0|0,0,2]=4 571 B10R1.172 C#CC1=CC=CC(C#N)=N1 94417 [0,2,0,0,0,0|0,0,2]=4 572 B10R1.172 C#CC1=NC=CC(OC)=N1 84019 [0,2,0,0,0,0|1,0,1]=4 573 B10R1.172 C=CC1=CC=CC(C#N)=N1 87879 [0,2,0,0,0,0|0,0,2]=4 574 B10R1.172 C=CC1=CC=CC(OC)=N1 52911 [0,2,0,0,0,0|0,0,1]=3 575 B10R1.172 CCC1=CC=CC(C#N)=N1 87882 [0,2,0,0,0,0|0,0,1]=3 576 B10R1.172 CCC1=CC=CC(CO)=C1 D85939 [0,2,0,0,0,0|1,0,0]=3 577 B10R1.172 CCC1=NC=CC(CN)=C1 57083 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.172 CNC1=CC=CC(CO)=C1 AT21037 [0,2,0,0,0,0|1,0,0]=3 579 B10R1.172 CNC1=CC=CC(SC)=C1 AT20859 [0,2,0,0,0,0|1,0,0]=3 580 B10R1.172 CNC1=NC=CC(CO)=C1 AT18191 [0,2,0,0,0,0|2,0,0]=4 581 B10R1.172 CNC1=NC=CC(CO)=N1 D75561 [0,2,0,0,0,0|1,0,0]=3 582 B10R1.172 COC1=CC(CCl)=CN=C1 81942 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.172 COC1=CC=CC(CCl)=N1 81766 [0,2,0,0,0,0|0,0,0]=2 584 B10R1.172 COC1=CC=NC(C=O)=N1 AT18294 [0,2,0,0,0,0|1,0,1]=4 585 B10R1.172 COC1=NC(C#N)=NC=C1 P11691 [0,2,0,0,0,0|1,0,1]=4 586 B10R1.172 COC1=NC(CN)=CC=C1 79028 [0,2,0,0,0,0|0,0,0]=2 587 B10R1.172 COC1=NC(NN)=CC=C1 F16103 [0,2,0,0,0,0|1,0,0]=3 588 B10R1.172 COC1=NC(NN)=CN=C1 BL010288 [0,2,0,0,0,0|2,0,0]=4 589 B10R1.172 COC1=NC(NN)=NC=C1 CS1194 [0,2,0,0,0,0|2,0,0]=4 590 B10R1.172 COC1=NC=CC(CCl)=C1 P17364 [0,2,0,0,0,0|2,0,0]=4 591 B10R1.172 COC1=NC=CC(CCl)=N1 F30444 [0,2,0,0,0,0|1,0,0]=3 592 B10R1.172 COC1=NC=CC(SC)=C1 F50801 [0,2,0,0,0,0|2,0,0]=4 593 B10R1.172 CSC1=CC(CN)=CC=C1 N14326 [0,2,0,0,0,0|1,0,0]=3 594 B10R1.172 CSC1=CN=CC(SC)=C1 H11054 [0,2,0,0,0,0|2,0,0]=4 595 B10R1.172 CSC1=NC(C#N)=CC=N1 26993 [0,2,0,0,0,0|1,0,1]=4 596 B10R1.172 CSC1=NC=CC(CCl)=N1 C16785 [0,2,0,0,0,0|1,0,0]=3 597 B10R1.172 NCC1=CC=CC(CO)=C1 C75075 [0,2,0,0,0,0|1,0,0]=3 598 B10R1.172 OCC1=CN=CC(CO)=C1 61754 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.176 BrCC1=CC(Br)=C(I)C=C1 AT26690 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.176 BrCC1=CC(I)=C(Br)C=C1 97476 [0,2,0,0,0,0|2,0,0]=4 601 B10R1.176 C#CC1=CC(C)=C(Br)C=C1 C91264 [0,2,0,0,0,0|1,0,1]=4 602 B10R1.176 CC1=C(Br)C=CC(CCl)=C1 D87322 [0,2,0,0,0,0|1,0,0]=3 603 B10R1.176 CC1=C(Br)C=CC(NN)=N1 80859 [0,2,0,0,0,0|1,0,0]=3 604 B10R1.176 CC1=C(Br)C=NC(CN)=C1 AC7093 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.176 CC1=C(Br)C=NC(CO)=C1 C72572 [0,2,0,0,0,0|2,0,0]=4 606 B10R1.176 CC1=C(C)N=C(C#N)C=C1 Y10192 [0,2,0,0,0,0|0,0,1]=3 607 B10R1.176 CC1=C(F)C=CC(CO)=N1 O10128 [0,2,0,0,0,0|0,0,0]=2 608 B10R1.176 CC1=C(I)C=C(CO)C=C1 D75885 [0,2,0,0,0,0|2,0,0]=4 609 B10R1.176 CC1=C(N)C=CC(CO)=C1 F15978 [0,2,0,0,0,0|1,0,0]=3 610 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14330 [0,2,0,0,0,0|1,0,0]=3 611 B10R1.176 CC1=CC(CCl)=CN=C1Cl 97209 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.176 CC1=CC(CO)=CN=C1C F53420 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.176 CCC1=CC(N)=C(C)C=C1 F21363 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.176 CCC1=CC(O)=C(F)C=C1 F30470 [0,2,0,0,0,0|2,0,0]=4 615 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.176 CCC1=NC(C)=C(O)C=C1 76361 [0,2,0,0,0,0|0,0,0]=2 617 B10R1.176 CN1C=C(CN)C=CC1=O P11875 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.176 CNC1=CC(Cl)=C(Br)C=C1 AC3296 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.176 CNC1=CC(Cl)=C(C)C=C1 C77674 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.176 CNC1=CC(F)=C(Br)C=C1 S10823 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.176 CNC1=NC(N)=C(Br)C=N1 AC2848 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.176 COC1=CC(C)=[N+]([O-])C=C1 F18022 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.176 COC1=CC(N)=C(I)C=C1 O10806 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19646 [0,2,0,0,0,0|2,0,0]=4 625 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19647 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.176 COC1=CC(S)=C(N)C=C1 C90511 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.176 COC1=NC(Cl)=C(Br)C=N1 AT18340 [0,2,0,0,0,0|2,0,0]=4 628 B10R1.176 COC1=NC(Cl)=C(I)C=C1 N10091 [0,2,0,0,0,0|1,0,0]=3 629 B10R1.176 COC1=NC=C(Cl)C(Br)=N1 AT18431 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.176 COC1=NC=C(Cl)C(Cl)=N1 AT18337 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.176 COC1=N[N+]([O-])=C(Cl)C=C1 H11059 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.176 CSC1=CC(C)=C(Br)C=C1 AT14181 [0,2,0,0,0,0|1,0,0]=3 633 B10R1.176 CSC1=CC(C)=C(Br)C=N1 AT14153 [0,2,0,0,0,0|2,0,0]=4 634 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [0,2,0,0,0,0|1,0,0]=3 635 B10R1.176 CSC1=CC(N)=C(C)C=C1 AT20856 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.176 CSC1=NC(C)=C(Br)C=C1 AT14158 [0,2,0,0,0,0|0,0,0]=2 637 B10R1.176 CSC1=NC(C)=C(N)C=N1 C16461 [0,2,0,0,0,0|1,0,0]=3 638 B10R1.176 CSC1=NC(O)=C(Cl)C=N1 AC6462 [0,2,0,0,0,0|2,0,0]=4 639 B10R1.176 CSC1=NC=C(C)C(Br)=N1 AC4904 [0,2,0,0,0,0|2,0,0]=4 640 B10R1.176 CSC1=NC=C(Cl)C(I)=N1 AC8687 [0,2,0,0,0,0|2,0,0]=4 641 B10R1.176 FC1=C(Br)C=C(CCl)C=C1 W16546 [0,2,0,0,0,0|2,0,0]=4 642 B10R1.176 FC1=C(Br)C=CC(CCl)=C1 96328 [0,2,0,0,0,0|2,0,0]=4 643 B10R1.176 FC1=C(Cl)C=CC(CCl)=C1 CK1006 [0,2,0,0,0,0|2,0,0]=4 644 B10R1.176 NCC1=CC(O)=C(N)C=C1 F13360 [0,2,0,0,0,0|2,0,0]=4 645 B10R1.176 NCC1=CC=C(Cl)C(Cl)=N1 D97054 [0,2,0,0,0,0|1,0,0]=3 646 B10R1.176 NNC1=NC(F)=C(Cl)C=C1 AC5346 [0,2,0,0,0,0|2,0,0]=4 647 B10R1.176 OCC1=CC(I)=C(Br)C=C1 97475 [0,2,0,0,0,0|2,0,0]=4 648 B10R1.176 OCC1=CC=C(O)C(Br)=N1 F53642 [0,2,0,0,0,0|1,0,0]=3 649 B10R1.22 CC1=C(C)C(Cl)=NC(N)=N1 C14798 [0,2,0,0,0,0|2,0,0]=4 650 B10R1.22 CC1=C(O)C(I)=CC(I)=N1 FD10658 [0,2,0,0,0,0|1,0,0]=3 651 B10R1.22 CC1=C(O)C=C(O)N=C1Cl C16631 [0,2,0,0,0,0|2,0,0]=4 652 B10R1.22 CC1=CC(Br)=CC(Br)=C1I AC9862 [0,2,0,0,0,0|2,0,0]=4 653 B10R1.22 CC1=CC(Br)=CC(I)=C1N S10863 [0,2,0,0,0,0|2,0,0]=4 654 B10R1.22 CC1=CC(Br)=CC(N)=C1F 55937 [0,2,0,0,0,0|2,0,0]=4 655 B10R1.22 CC1=CC(Br)=NC(C)=C1Br C75336 [0,2,0,0,0,0|1,0,0]=3 656 B10R1.22 CC1=CC(C)=C(N)C(Br)=N1 C71195 [0,2,0,0,0,0|1,0,0]=3 657 B10R1.22 CC1=CC(C)=NC(C)=C1Br W12678 [0,2,0,0,0,0|0,0,0]=2 658 B10R1.22 CC1=CC(C)=[N+](F)C(C)=C1 C71278 [0,2,0,0,0,0|0,0,1]=3 659 B10R1.22 CC1=CC(Cl)=C(Cl)C(N)=C1 H11579 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.22 CC1=CC(Cl)=CC(F)=C1N 95138 [0,2,0,0,0,0|2,0,0]=4 661 B10R1.22 CC1=CC(Cl)=CC(N)=C1O 78884 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.22 CC1=CC(Cl)=NC(N)=C1N P12074 [0,2,0,0,0,0|2,0,0]=4 663 B10R1.22 CC1=CC(F)=C(F)C(F)=C1 36229 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.22 CC1=CC(F)=C(N)C(F)=C1 36800 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.22 CC1=CC(I)=C(F)C(F)=C1 96950 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.22 CC1=CC(I)=C(N)C(Br)=C1 91883 [0,2,0,0,0,0|2,0,0]=4 667 B10R1.22 CC1=CC(I)=CC(F)=C1Br AT18861 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.22 CC1=CC(N)=CC(=O)N1C AT19299 [0,2,0,0,0,0|1,0,1]=4 669 B10R1.22 CC1=CC(N)=CC(Br)=C1F FD10715 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.22 CC1=CC(N)=CC(C)=C1N 61916 [0,2,0,0,0,0|1,0,0]=3 671 B10R1.22 CC1=CC(N)=CC(Cl)=C1Br FD10718 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.22 CC1=CC(N)=CN(C)C1=O 79438 [0,2,0,0,0,0|2,0,0]=4 673 B10R1.22 CC1=CC(O)=C(N)C(C)=N1 C75076 [0,2,0,0,0,0|0,0,0]=2 674 B10R1.22 CC1=CC(O)=C(O)C(O)=C1 D92404 [0,2,0,0,0,0|2,0,0]=4 675 B10R1.22 CC1=NC(Cl)=C(Cl)C(Cl)=N1 75973 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.22 CC1=NC(Cl)=C(I)C(N)=N1 79827 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.22 CC1=NC(N)=NC(F)=C1Br 92216 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.22 CC1=NC(N)=NC(N)=C1C C16270 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.22 CC1=NC(N)=NC(N)=C1I D76646 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.22 CC1=NC(O)=NC(C)=C1Br 71764 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.22 CN1N=C(Cl)C=C(N)C1=O F20190 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.22 FC1=CC(F)=C(F)C(F)=N1 F21459 [0,2,0,0,0,0|2,0,0]=4 683 B10R1.22 NC1=CC(Br)=C(N)C(N)=N1 C92894 [0,2,0,0,0,0|2,0,0]=4 684 B10R1.22 NC1=CC(Br)=NC(Cl)=C1N 90688 [0,2,0,0,0,0|2,0,0]=4 685 B10R1.22 NC1=CC(Cl)=NC(Cl)=C1I W17950 [0,2,0,0,0,0|2,0,0]=4 686 B10R1.22 [2H]C1=CC(C)=C(N)C([2H])=C1 D99361 [0,2,0,0,0,0|2,0,0]=4 687 B10R1.119 CC1=C(Br)C=CC(N)=C1Cl E72722 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.119 CC1=C(C)C(Br)=C(N)C=C1 AC4809 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.119 CC1=C(C)C(Cl)=C(Cl)C=C1 AC6597 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.119 CC1=C(C)C(N)=C(N)C=C1 77536 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.119 CC1=C(Cl)C=CC(F)=C1Br 98311 [0,2,0,0,0,0|2,0,0]=4 692 B10R1.119 CC1=C(Cl)C=CC(N)=C1Cl W19151 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.119 CC1=C(F)C=CC(F)=C1Br C90884 [0,2,0,0,0,0|2,0,0]=4 694 B10R1.119 CC1=C(F)C=CC(N)=C1Cl 22765 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.119 CC1=C(F)C=CC(O)=C1Cl C90871 [0,2,0,0,0,0|2,0,0]=4 696 B10R1.119 CC1=C(I)C=CC(Br)=C1F AT11321 [0,2,0,0,0,0|2,0,0]=4 697 B10R1.119 CC1=C(N)C=CC(F)=C1Br C90841 [0,2,0,0,0,0|2,0,0]=4 698 B10R1.119 CC1=C(N)C=CC(F)=C1C 34354 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.119 CC1=C(N)C=CC(I)=C1F S11390 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.119 CC1=CC=C(Br)C(=O)N1C 91876 [0,2,0,0,0,0|1,0,1]=4 701 B10R1.119 CC1=CC=C(Br)C(Br)=C1N H11548 [0,2,0,0,0,0|2,0,0]=4 702 B10R1.119 CC1=CC=C(N)C(=O)N1C AT19272 [0,2,0,0,0,0|1,0,1]=4 703 B10R1.119 CC1=CC=C(O)C(C)=C1Br W18028 [0,2,0,0,0,0|1,0,0]=3 704 B10R1.119 CC1=CC=C(O)C(F)=C1F A12364 [0,2,0,0,0,0|2,0,0]=4 705 B10R1.245 CC1=CC=CC(Br)=C1CO D96259 [0,2,0,0,0,0|2,0,0]=4 706 B10R1.245 CC1=CC=CC(N)=C1C=O F15844 [0,2,0,0,0,0|2,0,0]=4 707 B10R1.245 CC1=CC=CC(N)=C1CO AC6550 [0,2,0,0,0,0|2,0,0]=4 708 B10R1.245 CC1=CN=CC(C)=C1C=O 51703 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.25 C#CC1=C(C)N=C(F)C=C1 AT20062 [0,2,0,0,0,0|1,0,0]=3 710 B10R1.25 CC1=C(C#N)C=CC(S)=C1 AT20986 [0,2,0,0,0,0|2,0,0]=4 711 B10R1.25 CC1=C(CBr)C=CC(N)=C1 98280 [0,2,0,0,0,0|2,0,0]=4 712 B10R1.25 CC1=C(CCl)C=CC(F)=N1 77960 [0,2,0,0,0,0|1,0,0]=3 713 B10R1.25 CC1=C(CN)C=NC(N)=N1 C15221 [0,2,0,0,0,0|2,0,0]=4 714 B10R1.25 CC1=C(CO)C=CC(Br)=N1 AT12929 [0,2,0,0,0,0|1,0,0]=3 715 B10R1.25 CC1=C(CO)C=CC(Cl)=C1 T70197 [0,2,0,0,0,0|2,0,0]=4 716 B10R1.25 CC1=C(CO)C=CC(Cl)=N1 F16741 [0,2,0,0,0,0|1,0,0]=3 717 B10R1.25 CC1=C(CO)C=CC(F)=C1 CK2474 [0,2,0,0,0,0|2,0,0]=4 718 B10R1.25 CC1=C(CO)C=CC(O)=C1 N13176 [0,2,0,0,0,0|2,0,0]=4 719 B10R1.25 CC1=CC(C)=NC=C1CN W16199 [0,2,0,0,0,0|2,0,0]=4 720 B10R1.25 CC1=CC(F)=C(CN)C=C1 A12837 [0,2,0,0,0,0|2,0,0]=4 721 B10R1.25 CC1=CC(F)=C(CO)C=C1 98275 [0,2,0,0,0,0|2,0,0]=4 722 B10R1.25 CC1=CC(F)=C(NN)C=C1 A12578 [0,2,0,0,0,0|2,0,0]=4 723 B10R1.25 CC1=CC(N)=C(C=O)C=C1 F15845 [0,2,0,0,0,0|2,0,0]=4 724 B10R1.25 CC1=CC(N)=C(CO)C=C1 O10038 [0,2,0,0,0,0|2,0,0]=4 725 B10R1.25 CC1=CC(O)=C(CO)C=C1 N12596 [0,2,0,0,0,0|2,0,0]=4 726 B10R1.25 CC1=CC=C(C#N)C(S)=N1 94430 [0,2,0,0,0,0|1,0,0]=3 727 B10R1.25 CC1=CN=C(CBr)C(C)=C1 O10504 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.25 CC1=CN=C(CN)C(C)=C1 D73748 [0,2,0,0,0,0|2,0,0]=4 729 B10R1.25 CC1=NC(C)=C(C=O)C=C1 F12423 [0,2,0,0,0,0|0,0,0]=2 730 B10R1.25 CC1=NC(C)=C(C=O)C=N1 D97637 [0,2,0,0,0,0|1,0,0]=3 731 B10R1.25 CC1=NC(C)=C(CN)C=N1 F53535 [0,2,0,0,0,0|1,0,0]=3 732 B10R1.25 CC1=NC(N)=C(C#N)C=C1 P17376 [0,2,0,0,0,0|1,0,0]=3 733 B10R1.25 CC1=NC(N)=C(CCl)C=N1 H11127 [0,2,0,0,0,0|2,0,0]=4 734 B10R1.25 CC1=NC=C(CO)C(O)=N1 C76221 [0,2,0,0,0,0|2,0,0]=4 735 B10R1.25 COC1=C(C)N=C(N)C=C1 F53499 [0,2,0,0,0,0|1,0,0]=3 736 B10R1.25 COC1=C(O)N=C(C)N=C1 F30536 [0,2,0,0,0,0|2,0,0]=4 737 B10R1.25 COC1=NC=C(C)N=C1Br 93937 [0,2,0,0,0,0|2,0,0]=4 738 B10R1.25 N#CC1=C(F)N=C(Cl)C=C1 72893 [0,2,0,0,0,0|2,0,0]=4 739 B10R1.25 N#CC1=CC=C(F)N=C1F AT10588 [0,2,0,0,0,0|2,0,0]=4 740 B10R1.25 NC1=C(C=O)C=CC(Br)=N1 97231 [0,2,0,0,0,0|2,0,0]=4 741 B10R1.25 NC1=C(C=O)C=CC(Cl)=N1 66186 [0,2,0,0,0,0|2,0,0]=4 742 B10R1.25 O=CC1=CC=C(F)N=C1Br AT22753 [0,2,0,0,0,0|2,0,0]=4 743 B10R1.25 OCC1=C(Cl)N=C(Br)C=C1 AT21654 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.118 CC1=C(Br)N=C(Br)C(N)=C1 O10625 [0,2,0,0,0,0|2,0,0]=4 745 B10R1.118 CC1=C(Cl)C=C(N)C(F)=C1 F13823 [0,2,0,0,0,0|2,0,0]=4 746 B10R1.118 CC1=C(Cl)C=C(N)C(F)=C1 F13824 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.118 CC1=C(N)N=C(Br)C(F)=C1 F19626 [0,2,0,0,0,0|2,0,0]=4 748 B10R1.118 CC1=CC(Br)=C(Cl)C=C1O AR2867 [0,2,0,0,0,0|2,0,0]=4 749 B10R1.118 CC1=CC(C)=C(N)C=C1N F31159 [0,2,0,0,0,0|1,0,0]=3 750 B10R1.118 CC1=CC(Cl)=C(I)C=C1C O10394 [0,2,0,0,0,0|2,0,0]=4 751 B10R1.118 CC1=CC(Cl)=C(N)C=C1Cl 95140 [0,2,0,0,0,0|2,0,0]=4 752 B10R1.118 CC1=CC(F)=C(Br)C=C1C D87743 [0,2,0,0,0,0|2,0,0]=4 753 B10R1.118 CC1=CC(F)=C(Br)C=C1F CL9322 [0,2,0,0,0,0|2,0,0]=4 754 B10R1.118 CC1=CC(I)=C(C)C=C1N D76806 [0,2,0,0,0,0|2,0,0]=4 755 B10R1.118 CC1=CC(I)=C(Cl)C=C1Br E70017 [0,2,0,0,0,0|2,0,0]=4 756 B10R1.118 CC1=CC(I)=C(I)C=C1C S12295 [0,2,0,0,0,0|2,0,0]=4 757 B10R1.118 CC1=CC(O)=C(C)N=C1Br D80172 [0,2,0,0,0,0|1,0,0]=3 758 B10R1.118 CC1=CC(O)=C(Cl)C=C1F C90829 [0,2,0,0,0,0|2,0,0]=4 759 B10R1.118 CC1=CC(O)=C(I)C=C1Cl 58349 [0,2,0,0,0,0|2,0,0]=4 760 B10R1.118 CC1=CC(S)=C(Cl)C=C1Cl 34560 [0,2,0,0,0,0|2,0,0]=4 761 B10R1.118 CC1=NC(Cl)=C(Br)C=C1N C91671 [0,2,0,0,0,0|1,0,0]=3 762 B10R1.118 CC1=NC(N)=C(I)C=C1Br 82189 [0,2,0,0,0,0|1,0,0]=3 763 B10R1.118 CC1=NC(O)=C(C)N=C1O N13378 [0,2,0,0,0,0|2,0,0]=4 764 B10R1.118 NC1=C(Cl)C=C(Cl)C(Cl)=N1 W17749 [0,2,0,0,0,0|2,0,0]=4 765 B10R1.118 NC1=C(I)C=C(Br)C(Cl)=N1 78092 [0,2,0,0,0,0|2,0,0]=4 766 B10R1.118 NC1=C(N)N=C(Cl)C(Cl)=C1 E71676 [0,2,0,0,0,0|2,0,0]=4 767 B10R1.118 NC1=C(N)N=C(I)C(Cl)=C1 W18213 [0,2,0,0,0,0|2,0,0]=4 768 B10R1.118 NC1=CC(N)=C(N)N=C1N F21309 [0,2,0,0,0,0|2,0,0]=4 769 B10R1.118 NC1=NC(F)=C(Br)C=C1Br W16527 [0,2,0,0,0,0|2,0,0]=4 770 B10R1.118 NC1=NC(F)=C(Br)C=C1F E71909 [0,2,0,0,0,0|2,0,0]=4 771 B10R1.118 NC1=NC(F)=C(Cl)C=C1F E71847 [0,2,0,0,0,0|2,0,0]=4 772 B10R1.118 NC1=NC(N)=C(Br)C=C1Br W18211 [0,2,0,0,0,0|2,0,0]=4 773 B8R1.7 N=C(N)C1=CC=CN1 F18689 [0,0,1,1,0,0|2,0,0]=4 774 B6R1.2 CC1=CN=CO1 C77581 [1,0,0,0,1,0|2,0,0]=4 775 B6R1.2 CC1=NC=CO1 O10838 [1,0,0,0,1,0|1,0,0]=3 776 B6R1.2 CC1=NSC=C1 AC6637 [1,0,0,0,1,0|1,0,0]=3 777 B6R1.2 ClC1=NC=CO1 F20650 [1,0,0,0,1,0|2,0,0]=4 778 B6R1.2 ClC1=NSC=C1 F19768 [1,0,0,0,1,0|2,0,0]=4 779 B6R1.2 NC1=CC=CS1 44128 [1,0,0,0,1,0|2,0,0]=4 780 B6R1.2 NC1=CC=CS1 F10359 [1,0,0,0,1,0|2,0,0]=4 781 B6R1.2 NC1=CNC=N1 P20245 [1,0,0,0,1,0|2,0,0]=4 782 B6R1.2 SC1=NC=CO1 AT18533 [1,0,0,0,1,0|2,0,0]=4 783 B6R1.2 [2H]N1C=CC=C1 D98995 [1,0,0,0,1,0|2,0,0]=4