0 B9R1.15 BrCC1=C(Br)C=CC=N1 B32048 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.15 BrCC1=C(I)C=CC=C1 B37896 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.15 C#CC1=CC=CN=C1F E44435 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.15 C#CC1=CC=CN=C1N E45198 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.15 C#CC1=NC=CN=C1Cl C63547 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.15 CC1=C(C#N)C=CC=N1 C10623 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.15 CC1=C(C=O)C=CC=N1 M1759 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.15 CC1=C(CBr)C=NC=C1 B37536 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.15 CC1=C(CCl)C=CN=C1 C13917 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 CC1=C(CCl)C=CN=C1 C46110 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.15 CC1=C(CCl)C=NC=C1 C14757 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.15 CC1=C(CCl)C=NC=C1 C46108 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.15 CC1=C(CN)C=NC=C1 A11511 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.15 CC1=C(CN)N=NC=C1 M60279 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.15 CC1=C(CO)C=CN=C1 H1761 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.15 CC1=C(CO)C=CN=N1 M63840 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.15 CC1=C(CO)C=NC=C1 H11512 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.15 CC1=C(NN)C=CC=C1 T39424 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.15 CC1=CC=CN=C1C#N M29764 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.15 CC1=CC=CN=C1C=O M1872 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.15 CC1=CC=CN=C1CCl C14758 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.15 CC1=CC=CN=C1CCl C46105 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.15 CC1=CC=CN=C1CN M46460 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.15 CC1=CC=CN=C1CO H46388 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.15 CC1=CC=NN=C1C#N M15411 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.15 CC1=NC=CN=C1C=O M14617 [0,0,0,0,0,0|1,0,1]=2 29 B9R1.15 CC1=NC=CN=C1CCl C14615 [0,0,0,0,0,0|1,0,0]=1 30 B9R1.15 CC1=NC=CN=C1CN A11549 [0,0,0,0,0,0|1,0,0]=1 31 B9R1.15 CC1=NC=CN=C1CO H14616 [0,0,0,0,0,0|1,0,0]=1 32 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.15 CCC1=C(Br)C=NC=C1 B23431 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.15 CCC1=C(Br)C=NC=N1 B42964 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.15 CCC1=C(F)C=NC=N1 E0673 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.15 CCC1=CC=NNC1=O E43195 [0,0,0,0,0,0|3,0,1]=4 42 B9R1.15 CCC1=CN=CN=C1Cl C42985 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.15 CCC1=NC=CN=C1C E43603 [0,0,0,0,0,0|0,0,0]=0 44 B9R1.15 CCC1=NC=CN=C1Cl C38966 [0,0,0,0,0,0|1,0,0]=1 45 B9R1.15 CCC1=NC=CN=C1N E43328 [0,0,0,0,0,0|1,0,0]=1 46 B9R1.15 CCC1=NC=CNC1=O E43188 [0,0,0,0,0,0|1,0,1]=2 47 B9R1.15 CC[N+]1=C(Br)C=CC=C1 B46367 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.15 CNC1=C(Br)C=CC=C1 B46075 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.15 CNC1=C(C)C=CN=C1 D67183 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.15 CNC1=C(Cl)C=CC=C1 C46094 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.15 CNC1=C(Cl)C=CC=N1 C42995 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.15 CNC1=C(F)C=CC=C1 M39414 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.15 CNC1=C(N)C=CC=C1 M43618 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.15 CNC1=C(N)C=CC=C1 M68814 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.15 CNC1=CC=CN=C1Cl C42994 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.15 CNC1=CC=CN=C1N M62813 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.15 CNC1=NC=CC=C1N M43341 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.15 CNC1=NC=CN=C1N M63361 [0,0,0,0,0,0|2,0,0]=2 61 B9R1.15 COC1=C(Br)C=CC=C1 B67901 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [0,0,0,0,0,0|3,0,0]=3 63 B9R1.15 COC1=C(Br)C=NC=N1 B40915 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.15 COC1=C(Cl)C=NC=N1 C37084 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.15 COC1=C(F)C=CC=N1 F42926 [0,0,0,0,0,0|3,0,0]=3 67 B9R1.15 COC1=C(F)C=NC=N1 F61763 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.15 COC1=C(I)C=CC=C1 K68160 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.15 COC1=C(I)C=CC=N1 K42933 [0,0,0,0,0,0|3,0,0]=3 70 B9R1.15 COC1=C(I)C=NC=N1 K40946 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.15 COC1=C(N)N=CC=C1 A69248 [0,0,0,0,0,0|3,0,0]=3 72 B9R1.15 COC1=C(N)N=CN=C1 M24946 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.15 COC1=C([Mg+])C=CC=C1 M31742 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.15 COC1=CC=CN=C1Br B4536 [0,0,0,0,0,0|3,0,0]=3 75 B9R1.15 COC1=CC=CN=C1Cl C24085 [0,0,0,0,0,0|3,0,0]=3 76 B9R1.15 COC1=CC=CN=C1F F42924 [0,0,0,0,0,0|3,0,0]=3 77 B9R1.15 COC1=CC=CN=C1I K62151 [0,0,0,0,0,0|3,0,0]=3 78 B9R1.15 COC1=CN=CN=C1Cl C24945 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.15 COC1=CNC=NC1=O M41033 [0,0,0,0,0,0|4,0,0]=4 80 B9R1.15 COC1=NC=CC=C1C M46378 [0,0,0,0,0,0|2,0,0]=2 81 B9R1.15 COC1=NC=CC=C1N A12743 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.15 COC1=NC=CN=C1Br B40912 [0,0,0,0,0,0|2,0,0]=2 83 B9R1.15 COC1=NC=CN=C1C M39278 [0,0,0,0,0,0|1,0,0]=1 84 B9R1.15 COC1=NC=CN=C1Cl C1053 [0,0,0,0,0,0|2,0,0]=2 85 B9R1.15 COC1=NC=CN=C1I I3006 [0,0,0,0,0,0|2,0,0]=2 86 B9R1.15 COC1=NC=CN=C1N M32096 [0,0,0,0,0,0|2,0,0]=2 87 B9R1.15 CSC1=C(F)N=CC=C1 F42849 [0,0,0,0,0,0|3,0,0]=3 88 B9R1.15 CSC1=C([Mg+])C=CC=C1 M31770 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.15 CSC1=NC=CN=C1C M43263 [0,0,0,0,0,0|1,0,0]=1 90 B9R1.15 ClCC1=C(Br)C=CC=N1 B42529 [0,0,0,0,0,0|3,0,0]=3 91 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42563 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42564 [0,0,0,0,0,0|3,0,0]=3 93 B9R1.15 ClCC1=CC=CN=C1Cl C7688 [0,0,0,0,0,0|3,0,0]=3 94 B9R1.15 ClCC1=NC=CN=C1Cl C12594 [0,0,0,0,0,0|2,0,0]=2 95 B9R1.15 FC1=C(C[Mg+])C=CC=C1 F6778 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.15 FC1=CC=CN=C1CBr B19661 [0,0,0,0,0,0|3,0,0]=3 97 B9R1.15 FC1=CC=CN=C1CBr B7783 [0,0,0,0,0,0|3,0,0]=3 98 B9R1.15 FC1=CC=CN=C1CCl C13988 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.15 N#CC1=C(Br)C=CC=N1 B14099 [0,0,0,0,0,0|3,0,1]=4 100 B9R1.15 N#CC1=C(Cl)C=CC=N1 C14306 [0,0,0,0,0,0|3,0,1]=4 101 B9R1.15 N#CC1=C(F)C=CC=N1 C10406 [0,0,0,0,0,0|3,0,1]=4 102 B9R1.15 N#CC1=C(N)N=CC=C1 A67490 [0,0,0,0,0,0|3,0,1]=4 103 B9R1.15 N#CC1=C(O)C=CC=N1 H26595 [0,0,0,0,0,0|3,0,1]=4 104 B9R1.15 N#CC1=CC=CN=C1Br B37950 [0,0,0,0,0,0|3,0,1]=4 105 B9R1.15 N#CC1=CC=CN=C1Cl C1772 [0,0,0,0,0,0|3,0,1]=4 106 B9R1.15 N#CC1=CC=CN=C1F F41834 [0,0,0,0,0,0|3,0,1]=4 107 B9R1.15 N#CC1=NC=CC=C1N A0534 [0,0,0,0,0,0|3,0,1]=4 108 B9R1.15 N#CC1=NC=CN=C1Cl C0571 [0,0,0,0,0,0|2,0,1]=3 109 B9R1.15 N#CC1=NC=CN=C1N A40815 [0,0,0,0,0,0|2,0,1]=3 110 B9R1.15 NC1=C(C=O)C=CC=N1 A25218 [0,0,0,0,0,0|3,0,1]=4 111 B9R1.15 NC1=C(CO)C=CC=C1 A7795 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.15 NC1=C(CO)C=CC=N1 A12467 [0,0,0,0,0,0|3,0,0]=3 113 B9R1.15 NC1=CC=CN=C1CO A24069 [0,0,0,0,0,0|3,0,0]=3 114 B9R1.15 NC1=NC=CN=C1C=O A0269 [0,0,0,0,0,0|2,0,1]=3 115 B9R1.15 NCC1=C(Br)C=CC=C1 B36643 [0,0,0,0,0,0|4,0,0]=4 116 B9R1.15 NCC1=C(Cl)C=CC=C1 C46097 [0,0,0,0,0,0|4,0,0]=4 117 B9R1.15 NCC1=C(Cl)C=CC=C1 C46104 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.15 NCC1=C(Cl)C=CC=N1 A14307 [0,0,0,0,0,0|3,0,0]=3 119 B9R1.15 NCC1=C(Cl)C=CC=N1 C29809 [0,0,0,0,0,0|3,0,0]=3 120 B9R1.15 NCC1=C(F)C=CC=C1 F26320 [0,0,0,0,0,0|4,0,0]=4 121 B9R1.15 NCC1=C(F)C=CC=N1 A12648 [0,0,0,0,0,0|3,0,0]=3 122 B9R1.15 NCC1=C(F)C=CC=N1 A1712 [0,0,0,0,0,0|3,0,0]=3 123 B9R1.15 NCC1=C(F)C=CC=N1 F61824 [0,0,0,0,0,0|3,0,0]=3 124 B9R1.15 NCC1=C(I)C=CC=C1 I36799 [0,0,0,0,0,0|4,0,0]=4 125 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [0,0,0,0,0,0|4,0,0]=4 126 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [0,0,0,0,0,0|4,0,0]=4 127 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [0,0,0,0,0,0|3,0,0]=3 128 B9R1.15 NCC1=CC=CN=C1Cl A10464 [0,0,0,0,0,0|3,0,0]=3 129 B9R1.15 NCC1=CC=CN=C1F F43528 [0,0,0,0,0,0|3,0,0]=3 130 B9R1.15 NCC1=NC=CN=C1Cl C25893 [0,0,0,0,0,0|2,0,0]=2 131 B9R1.15 NCC1=NC=CN=C1Cl C26687 [0,0,0,0,0,0|2,0,0]=2 132 B9R1.15 NNC1=C(Cl)C=CC=N1 C5118 [0,0,0,0,0,0|4,0,0]=4 133 B9R1.15 NNC1=C(F)C=CC=N1 F41082 [0,0,0,0,0,0|4,0,0]=4 134 B9R1.15 NNC1=NC=CN=C1Cl C12505 [0,0,0,0,0,0|3,0,0]=3 135 B9R1.15 O=CC1=C(Br)C=CC=N1 B23547 [0,0,0,0,0,0|3,0,1]=4 136 B9R1.15 O=CC1=C(Cl)C=CC=N1 C42298 [0,0,0,0,0,0|3,0,1]=4 137 B9R1.15 O=CC1=C(F)C=CC=N1 F12613 [0,0,0,0,0,0|3,0,1]=4 138 B9R1.15 O=CC1=CC=CN=C1Br B67403 [0,0,0,0,0,0|3,0,1]=4 139 B9R1.15 O=CC1=CC=CN=C1Cl C3459 [0,0,0,0,0,0|3,0,1]=4 140 B9R1.15 O=CC1=CC=CN=C1F F2386 [0,0,0,0,0,0|3,0,1]=4 141 B9R1.15 O=CC1=NC=CC=C1O H14795 [0,0,0,0,0,0|3,0,1]=4 142 B9R1.15 O=CC1=NC=CN=C1Cl C12693 [0,0,0,0,0,0|2,0,1]=3 143 B9R1.15 OCC1=C(Br)C=CC=C1 B39402 [0,0,0,0,0,0|4,0,0]=4 144 B9R1.15 OCC1=C(Br)C=CC=N1 B42889 [0,0,0,0,0,0|3,0,0]=3 145 B9R1.15 OCC1=C(Cl)C=CC=C1 C68885 [0,0,0,0,0,0|4,0,0]=4 146 B9R1.15 OCC1=C(Cl)C=CC=N1 C42910 [0,0,0,0,0,0|3,0,0]=3 147 B9R1.15 OCC1=C(F)C=CC=C1 F39407 [0,0,0,0,0,0|4,0,0]=4 148 B9R1.15 OCC1=C(F)C=CC=N1 F1706 [0,0,0,0,0,0|3,0,0]=3 149 B9R1.15 OCC1=C(I)C=CC=C1 K45967 [0,0,0,0,0,0|4,0,0]=4 150 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [0,0,0,0,0,0|3,0,0]=3 151 B9R1.15 OCC1=CC=CN=C1Br B69414 [0,0,0,0,0,0|3,0,0]=3 152 B9R1.15 OCC1=CC=CN=C1Cl C0580 [0,0,0,0,0,0|3,0,0]=3 153 B9R1.15 OCC1=CC=CN=C1F F42930 [0,0,0,0,0,0|3,0,0]=3 154 B9R1.15 OCC1=NC=CN=C1Cl C1612 [0,0,0,0,0,0|2,0,0]=2 155 B8R1.2 BrCC1=CN=CC=C1 B23879 [1,0,0,0,0,0|2,0,0]=3 156 B8R1.2 BrCC1=CN=CN=C1 B36879 [1,0,0,0,0,0|3,0,0]=4 157 B8R1.2 BrCC1=NC=CC=C1 B42841 [1,0,0,0,0,0|2,0,0]=3 158 B8R1.2 BrCC1=NC=CN=C1 B36766 [1,0,0,0,0,0|1,0,0]=2 159 B8R1.2 BrCC1=NC=NC=C1 B32305 [1,0,0,0,0,0|3,0,0]=4 160 B8R1.2 BrCC1=NN=CC=C1 B36818 [1,0,0,0,0,0|3,0,0]=4 161 B8R1.2 C#CC1=CC=CN=C1 E12479 [1,0,0,0,0,0|1,0,2]=4 162 B8R1.2 C#CC1=NC=CC=C1 E12434 [1,0,0,0,0,0|1,0,2]=4 163 B8R1.2 C#CC1=NC=CN=C1 E14588 [1,0,0,0,0,0|0,0,2]=3 164 B8R1.2 CCC1=NC=CN=C1 E43180 [1,0,0,0,0,0|0,0,0]=1 165 B8R1.2 CNC1=CC=CN=C1 M38086 [1,0,0,0,0,0|2,0,0]=3 166 B8R1.2 CNC1=CN=CN=C1 M29839 [1,0,0,0,0,0|3,0,0]=4 167 B8R1.2 CNC1=CN=NC=C1 M38382 [1,0,0,0,0,0|3,0,0]=4 168 B8R1.2 CNC1=NC=CN=C1 M41140 [1,0,0,0,0,0|1,0,0]=2 169 B8R1.2 COC1=CN=CC=C1 M67978 [1,0,0,0,0,0|2,0,0]=3 170 B8R1.2 COC1=CN=NC=C1 M41023 [1,0,0,0,0,0|3,0,0]=4 171 B8R1.2 COC1=NC=CC=C1 M39277 [1,0,0,0,0,0|2,0,0]=3 172 B8R1.2 COC1=NC=CN=C1 M2768 [1,0,0,0,0,0|1,0,0]=2 173 B8R1.2 COC1=NN=CC=C1 M41021 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.2 CSC1=NC=CC=N1 M2492 [1,0,0,0,0,0|3,0,0]=4 175 B8R1.2 CSC1=NN=CC=N1 M5642 [1,0,0,0,0,0|2,0,0]=3 176 B8R1.2 ClCC1=CN=CN=C1 C10228 [1,0,0,0,0,0|3,0,0]=4 177 B8R1.2 ClCC1=NC=CC=C1 C67870 [1,0,0,0,0,0|2,0,0]=3 178 B8R1.2 ClCC1=NC=CC=N1 C0153 [1,0,0,0,0,0|3,0,0]=4 179 B8R1.2 ClCC1=NC=CC=N1 C40877 [1,0,0,0,0,0|3,0,0]=4 180 B8R1.2 ClCC1=NC=CN=C1 C0149 [1,0,0,0,0,0|1,0,0]=2 181 B8R1.2 ClCC1=NC=NC=C1 C40878 [1,0,0,0,0,0|3,0,0]=4 182 B8R1.2 ClCC1=NN=CC=C1 C0156 [1,0,0,0,0,0|3,0,0]=4 183 B8R1.2 N#CC1=NC=CN=C1 C68117 [1,0,0,0,0,0|1,0,1]=3 184 B8R1.2 NCC1=CC=CN=C1 A69257 [1,0,0,0,0,0|2,0,0]=3 185 B8R1.2 NCC1=CC=CN=N1 A0031 [1,0,0,0,0,0|3,0,0]=4 186 B8R1.2 NCC1=CC=CN=N1 P29569 [1,0,0,0,0,0|3,0,0]=4 187 B8R1.2 NCC1=CN=CN=C1 P0028 [1,0,0,0,0,0|3,0,0]=4 188 B8R1.2 NCC1=CN=CN=C1 P29548 [1,0,0,0,0,0|3,0,0]=4 189 B8R1.2 NCC1=CN=NC=C1 A0027 [1,0,0,0,0,0|3,0,0]=4 190 B8R1.2 NCC1=CN=NC=C1 P41350 [1,0,0,0,0,0|3,0,0]=4 191 B8R1.2 NCC1=NC=CC=N1 A7421 [1,0,0,0,0,0|3,0,0]=4 192 B8R1.2 NCC1=NC=CC=N1 P0030 [1,0,0,0,0,0|3,0,0]=4 193 B8R1.2 NCC1=NC=CN=C1 P0029 [1,0,0,0,0,0|1,0,0]=2 194 B8R1.2 NCC1=NC=CN=C1 P4303 [1,0,0,0,0,0|1,0,0]=2 195 B8R1.2 NCC1=NC=NC=C1 A0032 [1,0,0,0,0,0|3,0,0]=4 196 B8R1.2 NCC1=NC=NC=C1 A10198 [1,0,0,0,0,0|3,0,0]=4 197 B8R1.2 NCC1=NC=NC=C1 P23754 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.2 NNC1=CC=CN=C1 H0043 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.2 NNC1=CC=CN=C1 H41349 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.2 NNC1=NC=CC=C1 H38511 [1,0,0,0,0,0|3,0,0]=4 201 B8R1.2 NNC1=NC=CN=C1 H0220 [1,0,0,0,0,0|2,0,0]=3 202 B8R1.2 O=CC1=CN=CC=C1 P13753 [1,0,0,0,0,0|2,0,1]=4 203 B8R1.2 O=CC1=NC=CC=C1 P67836 [1,0,0,0,0,0|2,0,1]=4 204 B8R1.2 O=CC1=NC=CN=C1 P0148 [1,0,0,0,0,0|1,0,1]=3 205 B8R1.2 OCC1=CN=CC=C1 P15946 [1,0,0,0,0,0|2,0,0]=3 206 B8R1.2 OCC1=CN=CN=C1 P0145 [1,0,0,0,0,0|3,0,0]=4 207 B8R1.2 OCC1=NC=CC=C1 P69303 [1,0,0,0,0,0|2,0,0]=3 208 B8R1.2 OCC1=NC=CC=N1 P0151 [1,0,0,0,0,0|3,0,0]=4 209 B8R1.2 OCC1=NC=CN=C1 P0147 [1,0,0,0,0,0|1,0,0]=2 210 B8R1.2 OCC1=NC=NC=C1 P0160 [1,0,0,0,0,0|3,0,0]=4 211 B8R1.2 OCC1=NN=CC=C1 P0155 [1,0,0,0,0,0|3,0,0]=4 212 B8R1.5 BrC1=C(I)C=CC=N1 B40636 [1,0,0,0,0,0|3,0,0]=4 213 B8R1.5 BrC1=NC=CN=C1Br D39975 [1,0,0,0,0,0|2,0,0]=3 214 B8R1.5 CC1=C(Br)C=CC=N1 B10407 [1,0,0,0,0,0|2,0,0]=3 215 B8R1.5 CC1=C(Br)C=NC=N1 B14434 [1,0,0,0,0,0|3,0,0]=4 216 B8R1.5 CC1=C(Cl)C=CC=N1 C42843 [1,0,0,0,0,0|2,0,0]=3 217 B8R1.5 CC1=C(F)C=CC=N1 F69193 [1,0,0,0,0,0|2,0,0]=3 218 B8R1.5 CC1=C(I)C=CC=C1 K67847 [1,0,0,0,0,0|3,0,0]=4 219 B8R1.5 CC1=C(I)C=NC=N1 K40890 [1,0,0,0,0,0|3,0,0]=4 220 B8R1.5 CC1=C(O)C=CC=N1 H10468 [1,0,0,0,0,0|2,0,0]=3 221 B8R1.5 CC1=C([Mg+])C=CC=C1 M31729 [1,0,0,0,0,0|3,0,0]=4 222 B8R1.5 CC1=CC=CN=C1Br B13771 [1,0,0,0,0,0|2,0,0]=3 223 B8R1.5 CC1=CC=CN=C1C L68373 [1,0,0,0,0,0|1,0,0]=2 224 B8R1.5 CC1=CC=CN=C1Cl C21969 [1,0,0,0,0,0|2,0,0]=3 225 B8R1.5 CC1=CC=CN=C1F F42847 [1,0,0,0,0,0|2,0,0]=3 226 B8R1.5 CC1=CC=CN=C1N M20541 [1,0,0,0,0,0|2,0,0]=3 227 B8R1.5 CC1=CC=CNC1=O M68618 [1,0,0,0,0,0|2,0,1]=4 228 B8R1.5 CC1=CC=NN=C1Cl C20457 [1,0,0,0,0,0|3,0,0]=4 229 B8R1.5 CC1=CC=NN=C1Cl C2949 [1,0,0,0,0,0|3,0,0]=4 230 B8R1.5 CC1=CN=CN=C1Cl C24055 [1,0,0,0,0,0|3,0,0]=4 231 B8R1.5 CC1=CN=CN=C1N A38299 [1,0,0,0,0,0|3,0,0]=4 232 B8R1.5 CC1=CN=CN=C1O H41028 [1,0,0,0,0,0|3,0,0]=4 233 B8R1.5 CC1=NC=CN=C1Br B14599 [1,0,0,0,0,0|1,0,0]=2 234 B8R1.5 CC1=NC=CN=C1Cl C14608 [1,0,0,0,0,0|1,0,0]=2 235 B8R1.5 CC1=NC=CN=C1I I14601 [1,0,0,0,0,0|1,0,0]=2 236 B8R1.5 CC1=NC=CN=C1N A14593 [1,0,0,0,0,0|1,0,0]=2 237 B8R1.5 CC1=NC=CN=C1O H14600 [1,0,0,0,0,0|1,0,0]=2 238 B8R1.5 CC1=NC=NC=C1N A14334 [1,0,0,0,0,0|3,0,0]=4 239 B8R1.5 ClC1=C(Br)C=CC=N1 B9483 [1,0,0,0,0,0|3,0,0]=4 240 B8R1.5 ClC1=C(I)C=CC=N1 C3030 [1,0,0,0,0,0|3,0,0]=4 241 B8R1.5 ClC1=CC=CN=C1Br B40634 [1,0,0,0,0,0|3,0,0]=4 242 B8R1.5 ClC1=CC=CN=C1Cl D5123 [1,0,0,0,0,0|3,0,0]=4 243 B8R1.5 ClC1=CC=CN=C1I C25332 [1,0,0,0,0,0|3,0,0]=4 244 B8R1.5 ClC1=NC=CN=C1Br B37498 [1,0,0,0,0,0|2,0,0]=3 245 B8R1.5 ClC1=NC=CN=C1Cl D7674 [1,0,0,0,0,0|2,0,0]=3 246 B8R1.5 ClC1=NC=CN=C1I C39981 [1,0,0,0,0,0|2,0,0]=3 247 B8R1.5 FC1=C(Br)C=CC=N1 B2291 [1,0,0,0,0,0|3,0,0]=4 248 B8R1.5 FC1=C(Cl)C=CC=N1 C3434 [1,0,0,0,0,0|3,0,0]=4 249 B8R1.5 FC1=C(I)C=CC=N1 F2381 [1,0,0,0,0,0|3,0,0]=4 250 B8R1.5 FC1=CC=CN=C1Br B3502 [1,0,0,0,0,0|3,0,0]=4 251 B8R1.5 FC1=CC=CN=C1Cl C3353 [1,0,0,0,0,0|3,0,0]=4 252 B8R1.5 FC1=CC=CN=C1F D40648 [1,0,0,0,0,0|3,0,0]=4 253 B8R1.5 FC1=CC=CN=C1I F10819 [1,0,0,0,0,0|3,0,0]=4 254 B8R1.5 FC1=NC=CN=C1I F6274 [1,0,0,0,0,0|2,0,0]=3 255 B8R1.5 NC1=C(Br)C=CC=N1 A12591 [1,0,0,0,0,0|3,0,0]=4 256 B8R1.5 NC1=C(Cl)C=CC=N1 A3433 [1,0,0,0,0,0|3,0,0]=4 257 B8R1.5 NC1=C(F)C=CC=N1 A37908 [1,0,0,0,0,0|3,0,0]=4 258 B8R1.5 NC1=C(I)C=CC=N1 I0599 [1,0,0,0,0,0|3,0,0]=4 259 B8R1.5 NC1=C(O)C=CC=N1 A31053 [1,0,0,0,0,0|3,0,0]=4 260 B8R1.5 NC1=CC=CN=C1Br A4535 [1,0,0,0,0,0|3,0,0]=4 261 B8R1.5 NC1=CC=CN=C1Cl C0716 [1,0,0,0,0,0|3,0,0]=4 262 B8R1.5 NC1=CC=CN=C1F F9484 [1,0,0,0,0,0|3,0,0]=4 263 B8R1.5 NC1=CC=CN=C1I K40887 [1,0,0,0,0,0|3,0,0]=4 264 B8R1.5 NC1=CC=CN=C1O A0666 [1,0,0,0,0,0|3,0,0]=4 265 B8R1.5 NC1=NC=CN=C1Br A38037 [1,0,0,0,0,0|2,0,0]=3 266 B8R1.5 NC1=NC=CN=C1Cl A5117 [1,0,0,0,0,0|2,0,0]=3 267 B8R1.5 NC1=NC=CN=C1N D14607 [1,0,0,0,0,0|2,0,0]=3 268 B8R1.5 NC1=NC=CNC1=O A40130 [1,0,0,0,0,0|2,0,1]=4 269 B8R1.5 O=C1NC=CN=C1Cl C40043 [1,0,0,0,0,0|2,0,1]=4 270 B8R1.5 OC1=C(Cl)C=CC=N1 C40847 [1,0,0,0,0,0|3,0,0]=4 271 B8R1.5 OC1=C(F)C=CC=N1 F40853 [1,0,0,0,0,0|3,0,0]=4 272 B8R1.5 OC1=C(I)C=CC=N1 K40856 [1,0,0,0,0,0|3,0,0]=4 273 B8R1.5 OC1=CC=CN=C1Br B12744 [1,0,0,0,0,0|3,0,0]=4 274 B8R1.5 OC1=CC=CN=C1Cl C10469 [1,0,0,0,0,0|3,0,0]=4 275 B8R1.5 OC1=CC=CN=C1F F40850 [1,0,0,0,0,0|3,0,0]=4 276 B8R1.5 OC1=CC=CN=C1I H23528 [1,0,0,0,0,0|3,0,0]=4 277 B8R1.5 OC1=NC=CN=C1Br B40038 [1,0,0,0,0,0|2,0,0]=3 278 B8R1.5 OC1=NC=CN=C1O P40073 [1,0,0,0,0,0|2,0,0]=3 279 B10R1.2 CC1=C(Br)C=CC=C1CO B36982 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.2 CC1=CC=CC(CBr)=C1C B49965 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.2 CC1=CC=CC(CO)=C1C D50272 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.2 CCC1=C(Cl)C(Cl)=NC=N1 D32445 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.2 CCC1=C(F)C(Cl)=NC=N1 C14066 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.2 CCC1=NC=NC(O)=C1F E14065 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.2 CNC1=C(C)C(Cl)=NC=N1 C43281 [0,1,0,0,0,0|3,0,0]=4 286 B10R1.2 COC1=C(Br)C(C)=CC=N1 B12856 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.2 COC1=C(Br)C(Cl)=CC=N1 B17527 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.2 COC1=C(Br)C(N)=CC=N1 B11303 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.2 COC1=C(C)C(C)=CC=C1 M50276 [0,1,0,0,0,0|3,0,0]=4 290 B10R1.2 COC1=C(C)C(Cl)=NC=N1 C43075 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.2 COC1=C(C)C(N)=CC=C1 M46898 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.2 COC1=C(C)C(N)=CC=C1 M49523 [0,1,0,0,0,0|3,0,0]=4 293 B10R1.2 COC1=CC=CC(Br)=C1C B49435 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.2 COC1=NC=CC(Br)=C1C B46170 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.2 COC1=NC=CC(Cl)=C1F C42669 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.4 CC1=C(CC#N)C=CC=C1 T69238 [0,1,0,0,0,0|2,0,1]=4 297 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.4 CCNC1=NC=CN=C1N E63353 [0,1,0,0,0,0|1,0,0]=2 299 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.4 CCOC1=CC=CNC1=O E46398 [0,1,0,0,0,0|2,0,1]=4 302 B10R1.4 CCOC1=NC=CN=C1Br B43051 [0,1,0,0,0,0|1,0,0]=2 303 B10R1.4 CCOC1=NC=CN=C1N A36915 [0,1,0,0,0,0|1,0,0]=2 304 B10R1.4 CCOC1=NC=NC=C1N E43347 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [0,1,0,0,0,0|2,0,0]=3 308 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.4 CNCC1=C(F)C=CC=N1 F14667 [0,1,0,0,0,0|2,0,0]=3 311 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [0,1,0,0,0,0|3,0,0]=4 312 B10R1.4 N#CCC1=C(Br)C=CC=N1 B14101 [0,1,0,0,0,0|2,0,1]=4 313 B10R1.4 N#CCC1=C(F)C=CC=N1 F44800 [0,1,0,0,0,0|2,0,1]=4 314 B10R1.4 N#CCC1=CC=CN=C1Br B44759 [0,1,0,0,0,0|2,0,1]=4 315 B10R1.4 N#CCC1=CC=CN=C1Cl C0579 [0,1,0,0,0,0|2,0,1]=4 316 B10R1.4 N#CCC1=NC=CC=C1N A37153 [0,1,0,0,0,0|2,0,1]=4 317 B10R1.4 N#CCC1=NC=CN=C1Cl C11546 [0,1,0,0,0,0|1,0,1]=3 318 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [0,1,0,0,0,0|3,0,0]=4 319 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [0,1,0,0,0,0|2,0,0]=3 321 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [0,1,0,0,0,0|3,0,0]=4 326 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.20 C#CC1=CC=CN=C1OC E48442 [0,1,0,0,0,0|1,0,2]=4 328 B10R1.20 CCC1=C(C=O)C=CC=C1 E49869 [0,1,0,0,0,0|2,0,1]=4 329 B10R1.20 CCC1=C(CO)C=CC=C1 E50269 [0,1,0,0,0,0|2,0,0]=3 330 B10R1.20 CCC1=NC=CN=C1OC E43629 [0,1,0,0,0,0|0,0,0]=1 331 B10R1.20 CNC1=C(C=O)C=CC=N1 M45978 [0,1,0,0,0,0|2,0,1]=4 332 B10R1.20 CNC1=C(CO)C=CC=C1 M38311 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.20 CNC1=C(CO)C=CC=N1 M43647 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.20 CNC1=C(NC)C=CC=C1 D46973 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.20 CNC1=C(OC)C=CC=C1 M46897 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.20 COC1=C(C#N)N=CC=C1 M45211 [0,1,0,0,0,0|2,0,1]=4 337 B10R1.20 COC1=C(C=O)C=CC=N1 M4987 [0,1,0,0,0,0|2,0,1]=4 338 B10R1.20 COC1=C(CBr)C=CC=N1 B26711 [0,1,0,0,0,0|2,0,0]=3 339 B10R1.20 COC1=C(CBr)C=CC=N1 B46181 [0,1,0,0,0,0|2,0,0]=3 340 B10R1.20 COC1=C(CN)C=CC=C1 M46906 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.20 COC1=C(CN)N=CC=C1 M46464 [0,1,0,0,0,0|2,0,0]=3 342 B10R1.20 COC1=C(CO)N=CC=C1 M46400 [0,1,0,0,0,0|2,0,0]=3 343 B10R1.20 COC1=C(OC)C=CC=C1 D64830 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.20 COC1=CC=CN=C1C=O M3691 [0,1,0,0,0,0|2,0,1]=4 345 B10R1.20 COC1=CC=CN=C1OC D1095 [0,1,0,0,0,0|2,0,0]=3 346 B10R1.20 COC1=CN=CN=C1OC D43216 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.20 COC1=NC=CC=C1C#N M12736 [0,1,0,0,0,0|2,0,1]=4 348 B10R1.20 COC1=NC=CC=C1CN A12723 [0,1,0,0,0,0|2,0,0]=3 349 B10R1.20 COC1=NC=CC=C1CN A7689 [0,1,0,0,0,0|2,0,0]=3 350 B10R1.20 COC1=NC=CC=C1CO M12722 [0,1,0,0,0,0|2,0,0]=3 351 B10R1.20 COC1=NC=CC=C1NN H43549 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.20 COC1=NC=CN=C1CN M43353 [0,1,0,0,0,0|1,0,0]=2 353 B10R1.20 COC1=NC=CN=C1NN H41209 [0,1,0,0,0,0|2,0,0]=3 354 B10R1.20 ClCC1=CC=CN=C1CCl B62022 [0,1,0,0,0,0|2,0,0]=3 355 B10R1.20 ClCC1=NC=CN=C1CCl B42742 [0,1,0,0,0,0|1,0,0]=2 356 B10R1.20 N#CC1=C(CBr)C=CC=N1 B37744 [0,1,0,0,0,0|2,0,1]=4 357 B10R1.20 NCC1=C(CO)C=CC=C1 A46911 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.20 NCC1=C(CO)C=CC=N1 A46594 [0,1,0,0,0,0|2,0,0]=3 359 B10R1.20 OCC1=C(CBr)C=CC=C1 B39077 [0,1,0,0,0,0|3,0,0]=4 360 B10R1.20 OCC1=C(CO)C=CC=C1 B60807 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.25 CC1=C(C#N)C=CC(Br)=N1 B44757 [0,1,0,0,0,0|2,0,1]=4 362 B10R1.25 CC1=C(C#N)C=CC(Cl)=N1 C69365 [0,1,0,0,0,0|2,0,1]=4 363 B10R1.25 CC1=C(C=O)C=CC(Cl)=N1 C45486 [0,1,0,0,0,0|2,0,1]=4 364 B10R1.25 CC1=C(C=O)C=CC(F)=N1 F45499 [0,1,0,0,0,0|2,0,1]=4 365 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 B48758 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.25 CC1=C(CF)C=CC(Br)=C1 B48770 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.25 CC1=C(CN)C=CC(Br)=C1 B46736 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.25 CC1=C(CN)C=CC(Br)=C1 B46744 [0,1,0,0,0,0|3,0,0]=4 369 B10R1.25 CC1=C(CO)C=CC(Br)=C1 B61046 [0,1,0,0,0,0|3,0,0]=4 370 B10R1.25 CC1=C(CO)C=CC(F)=N1 F46222 [0,1,0,0,0,0|2,0,0]=3 371 B10R1.25 CC1=C(CO)C=CC(N)=C1 A39080 [0,1,0,0,0,0|3,0,0]=4 372 B10R1.25 CC1=CC(Br)=CN=C1C#N B20439 [0,1,0,0,0,0|2,0,1]=4 373 B10R1.25 CC1=CC(Br)=CN=C1C=O B61323 [0,1,0,0,0,0|2,0,1]=4 374 B10R1.25 CC1=CC(Br)=CN=C1CN B46293 [0,1,0,0,0,0|2,0,0]=3 375 B10R1.25 CC1=CC(C)=C(CBr)C=C1 B49966 [0,1,0,0,0,0|3,0,0]=4 376 B10R1.25 CC1=CC(C)=C(CO)C=C1 D50273 [0,1,0,0,0,0|3,0,0]=4 377 B10R1.25 CC1=CC(Cl)=CN=C1C#N C44782 [0,1,0,0,0,0|2,0,1]=4 378 B10R1.25 CC1=CC(O)=CN=C1C#N H45224 [0,1,0,0,0,0|2,0,1]=4 379 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 B45763 [0,1,0,0,0,0|3,0,0]=4 380 B10R1.25 CC1=CN=C(CCl)C(C)=C1 C38639 [0,1,0,0,0,0|2,0,0]=3 381 B10R1.25 CC1=CN=C(CO)C(C)=C1 D46914 [0,1,0,0,0,0|2,0,0]=3 382 B10R1.25 CC1=NC(C)=C(CO)C=C1 D64003 [0,1,0,0,0,0|2,0,0]=3 383 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 C46746 [0,1,0,0,0,0|3,0,0]=4 384 B10R1.25 CCC1=C(Cl)N=C(Cl)N=C1 D38805 [0,1,0,0,0,0|3,0,0]=4 385 B10R1.25 CCC1=C(F)C=C(O)C=C1 E65621 [0,1,0,0,0,0|3,0,0]=4 386 B10R1.25 CCC1=C(N)C=C(Br)C=C1 B46721 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C46745 [0,1,0,0,0,0|3,0,0]=4 388 B10R1.25 CCC1=NC=C(Br)C=C1N A11260 [0,1,0,0,0,0|2,0,0]=3 389 B10R1.25 CCC1=NC=C(Cl)N=C1Cl D42741 [0,1,0,0,0,0|1,0,0]=2 390 B10R1.25 CNC1=NC=C(Br)C=C1N B26263 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.25 COC1=C(Br)C=C(Br)C=N1 D42633 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.25 COC1=C(Br)C=C(C)C=N1 B46168 [0,1,0,0,0,0|3,0,0]=4 393 B10R1.25 COC1=C(Br)C=C(Cl)C=N1 B16110 [0,1,0,0,0,0|3,0,0]=4 394 B10R1.25 COC1=C(Br)C=C(F)C=N1 B42652 [0,1,0,0,0,0|3,0,0]=4 395 B10R1.25 COC1=C(Br)C=C(N)C=N1 B43055 [0,1,0,0,0,0|3,0,0]=4 396 B10R1.25 COC1=C(Br)C=C(O)C=N1 B42852 [0,1,0,0,0,0|3,0,0]=4 397 B10R1.25 COC1=C(Br)N=C(I)C=C1 B36842 [0,1,0,0,0,0|3,0,0]=4 398 B10R1.25 COC1=C(C)C=C(Br)C=C1 B49440 [0,1,0,0,0,0|3,0,0]=4 399 B10R1.25 COC1=C(C)C=C(C)C=C1 D50266 [0,1,0,0,0,0|3,0,0]=4 400 B10R1.25 COC1=C(C)C=C(F)C=C1 F49467 [0,1,0,0,0,0|3,0,0]=4 401 B10R1.25 COC1=C(C)C=C(I)C=C1 K49474 [0,1,0,0,0,0|3,0,0]=4 402 B10R1.25 COC1=C(C)C=C(N)C=C1 M46909 [0,1,0,0,0,0|3,0,0]=4 403 B10R1.25 COC1=C(C)C=C(O)C=C1 M38275 [0,1,0,0,0,0|3,0,0]=4 404 B10R1.25 COC1=C(C)C=C([Mg+])C=C1 M31769 [0,1,0,0,0,0|3,0,0]=4 405 B10R1.25 COC1=C(C)N=C(Br)C=C1 B46175 [0,1,0,0,0,0|2,0,0]=3 406 B10R1.25 COC1=C(C)N=C(Cl)N=C1 C43074 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C46202 [0,1,0,0,0,0|3,0,0]=4 408 B10R1.25 COC1=C(Cl)C=C(N)C=N1 C43070 [0,1,0,0,0,0|3,0,0]=4 409 B10R1.25 COC1=C(F)C=C(N)C=N1 A43085 [0,1,0,0,0,0|3,0,0]=4 410 B10R1.25 COC1=C(I)C=C(Br)C=N1 B42657 [0,1,0,0,0,0|3,0,0]=4 411 B10R1.25 COC1=C(N)N=C(Br)C=C1 B36893 [0,1,0,0,0,0|3,0,0]=4 412 B10R1.25 COC1=C(N)N=C(F)C=C1 F43084 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.25 COC1=CC=C(Br)N=C1Br D42631 [0,1,0,0,0,0|3,0,0]=4 414 B10R1.25 COC1=CC=C(C)N=C1Br B3731 [0,1,0,0,0,0|3,0,0]=4 415 B10R1.25 COC1=CC=C(C)N=C1Cl C46200 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.25 COC1=CC=C(Cl)N=C1Br B42641 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.25 COC1=CC=C(N)N=C1Cl C10744 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.25 COC1=NC=C(Br)C=C1C B46172 [0,1,0,0,0,0|2,0,0]=3 419 B10R1.25 COC1=NC=C(Br)C=C1Cl B42648 [0,1,0,0,0,0|3,0,0]=4 420 B10R1.25 COC1=NC=C(Br)C=C1F B42654 [0,1,0,0,0,0|3,0,0]=4 421 B10R1.25 COC1=NC=C(Br)C=C1N B7645 [0,1,0,0,0,0|3,0,0]=4 422 B10R1.25 COC1=NC=C(Br)C=C1O B10651 [0,1,0,0,0,0|3,0,0]=4 423 B10R1.25 COC1=NC=C(Cl)C=C1F C69055 [0,1,0,0,0,0|3,0,0]=4 424 B10R1.25 COC1=NC=C(F)C=C1C F46221 [0,1,0,0,0,0|2,0,0]=3 425 B10R1.25 COC1=NC=C(F)C=C1N F37439 [0,1,0,0,0,0|3,0,0]=4 426 B10R1.25 COC1=NC=C(N)C=C1C M43642 [0,1,0,0,0,0|2,0,0]=3 427 B10R1.25 COC1=NN=C(Cl)C=C1C C43076 [0,1,0,0,0,0|3,0,0]=4 428 B10R1.25 CSC1=NC=C(Cl)N=C1Cl D20240 [0,1,0,0,0,0|2,0,0]=3 429 B10R1.25 N#CC1=NC=C(Cl)N=C1Cl D11544 [0,1,0,0,0,0|2,0,1]=4 430 B10R1.25 N#CC1=NC=C(N)N=C1Cl A62103 [0,1,0,0,0,0|2,0,1]=4 431 B10R1.25 NC1=CC(Br)=CN=C1CO A12038 [0,1,0,0,0,0|3,0,0]=4 432 B10R1.25 NC1=CC(Cl)=CN=C1CO A59939 [0,1,0,0,0,0|3,0,0]=4 433 B10R1.25 NCC1=C(F)C=C(F)C=N1 D43571 [0,1,0,0,0,0|3,0,0]=4 434 B10R1.25 NCC1=NC=C(Br)C=C1F A12623 [0,1,0,0,0,0|3,0,0]=4 435 B10R1.25 NCC1=NC=C(Br)C=C1F B27080 [0,1,0,0,0,0|3,0,0]=4 436 B10R1.25 NCC1=NC=C(Cl)N=C1Cl D62358 [0,1,0,0,0,0|2,0,0]=3 437 B10R1.25 OCC1=C(Br)C=C(Cl)C=N1 B17743 [0,1,0,0,0,0|3,0,0]=4 438 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 D6829 [0,1,0,0,0,0|3,0,0]=4 439 B10R1.25 OCC1=CC=C(Br)N=C1Br D42635 [0,1,0,0,0,0|3,0,0]=4 440 B10R1.25 OCC1=CC=C(Cl)N=C1Cl D0718 [0,1,0,0,0,0|3,0,0]=4 441 B10R1.25 OCC1=NC=C(Br)C=C1Cl B42651 [0,1,0,0,0,0|3,0,0]=4 442 B10R1.25 OCC1=NC=C(Br)C=C1F B0544 [0,1,0,0,0,0|3,0,0]=4 443 B10R1.25 OCC1=NC=C(Cl)C=C1F C13727 [0,1,0,0,0,0|3,0,0]=4 444 B10R1.30 C#CC1=C(N)N=CC(Br)=N1 A42148 [0,1,0,0,0,0|1,0,2]=4 445 B10R1.30 CC1=C(C#N)N=C(Cl)C=C1 C37533 [0,1,0,0,0,0|2,0,1]=4 446 B10R1.30 CC1=C(CBr)C=C(F)C=C1 B48769 [0,1,0,0,0,0|3,0,0]=4 447 B10R1.30 CC1=C(CO)C=C(Br)C=C1 B67343 [0,1,0,0,0,0|3,0,0]=4 448 B10R1.30 CC1=C(CO)C=C(I)C=C1 K49473 [0,1,0,0,0,0|3,0,0]=4 449 B10R1.30 CC1=CC=C(N)C(CO)=N1 A13503 [0,1,0,0,0,0|3,0,0]=4 450 B10R1.30 CC1=CC=C(O)C(CCl)=N1 C65989 [0,1,0,0,0,0|3,0,0]=4 451 B10R1.30 CC1=CN=C(C)C(C#N)=N1 D45730 [0,1,0,0,0,0|1,0,1]=3 452 B10R1.30 CC1=NC(CO)=C(Br)C=C1 B63914 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.30 CC1=NC(CO)=C(O)C=C1 H46408 [0,1,0,0,0,0|3,0,0]=4 454 B10R1.30 CC1=NC=C(Cl)C=C1C#N C44780 [0,1,0,0,0,0|2,0,1]=4 455 B10R1.30 CCC1=C(Br)C=CC(O)=C1 B49425 [0,1,0,0,0,0|3,0,0]=4 456 B10R1.30 CCC1=C(F)C=CC(Br)=C1 B48764 [0,1,0,0,0,0|3,0,0]=4 457 B10R1.30 CCC1=C(F)C=NC(Cl)=N1 C61749 [0,1,0,0,0,0|3,0,0]=4 458 B10R1.30 CCC1=C(N)C=CC(Br)=C1 B66403 [0,1,0,0,0,0|3,0,0]=4 459 B10R1.30 CCC1=C(N)C=CC(Cl)=C1 C46752 [0,1,0,0,0,0|3,0,0]=4 460 B10R1.30 CNC1=C(C)C=CC(O)=C1 M46910 [0,1,0,0,0,0|3,0,0]=4 461 B10R1.30 COC1=C(Br)C=CC(C)=N1 B46169 [0,1,0,0,0,0|3,0,0]=4 462 B10R1.30 COC1=C(Br)C=CC(Cl)=N1 B42644 [0,1,0,0,0,0|3,0,0]=4 463 B10R1.30 COC1=C(Br)C=CC(N)=N1 B17534 [0,1,0,0,0,0|3,0,0]=4 464 B10R1.30 COC1=C(C)C=CC(Br)=C1 B49441 [0,1,0,0,0,0|3,0,0]=4 465 B10R1.30 COC1=C(C)C=CC(C)=C1 M50278 [0,1,0,0,0,0|3,0,0]=4 466 B10R1.30 COC1=C(C)C=CC(N)=C1 M46899 [0,1,0,0,0,0|3,0,0]=4 467 B10R1.30 COC1=C(Cl)N=CC(Br)=N1 B9928 [0,1,0,0,0,0|2,0,0]=3 468 B10R1.30 COC1=C(F)C=CC(C)=N1 F46220 [0,1,0,0,0,0|3,0,0]=4 469 B10R1.30 COC1=C(F)C=CC(Cl)=N1 C32280 [0,1,0,0,0,0|3,0,0]=4 470 B10R1.30 COC1=C(N)C=CC(Br)=N1 B3763 [0,1,0,0,0,0|3,0,0]=4 471 B10R1.30 COC1=C(N)N=CC(Br)=N1 B9924 [0,1,0,0,0,0|2,0,0]=3 472 B10R1.30 COC1=C(N)N=CC(Cl)=N1 C63041 [0,1,0,0,0,0|2,0,0]=3 473 B10R1.30 COC1=C(O)C=CC(Br)=N1 B61798 [0,1,0,0,0,0|3,0,0]=4 474 B10R1.30 COC1=CC(Br)=CN=C1C B16799 [0,1,0,0,0,0|2,0,0]=3 475 B10R1.30 COC1=CC(Br)=CN=C1Cl B9982 [0,1,0,0,0,0|3,0,0]=4 476 B10R1.30 COC1=CC(Br)=CN=C1N B23636 [0,1,0,0,0,0|3,0,0]=4 477 B10R1.30 COC1=CC(F)=CN=C1N F43083 [0,1,0,0,0,0|3,0,0]=4 478 B10R1.30 COC1=CC(N)=CN=C1Br B37681 [0,1,0,0,0,0|3,0,0]=4 479 B10R1.30 COC1=CC(N)=CN=C1Cl C25246 [0,1,0,0,0,0|3,0,0]=4 480 B10R1.30 COC1=CC(O)=CN=C1Cl C12083 [0,1,0,0,0,0|3,0,0]=4 481 B10R1.30 COC1=NC(Br)=CN=C1Br D9925 [0,1,0,0,0,0|2,0,0]=3 482 B10R1.30 COC1=NC(Br)=CN=C1I B9892 [0,1,0,0,0,0|2,0,0]=3 483 B10R1.30 COC1=NC(Br)=CNC1=O B9927 [0,1,0,0,0,0|2,0,1]=4 484 B10R1.30 COC1=NC(C)=CC=C1N A67537 [0,1,0,0,0,0|3,0,0]=4 485 B10R1.30 COC1=NC(C)=CN=C1N M26266 [0,1,0,0,0,0|2,0,0]=3 486 B10R1.30 COC1=NC(N)=CN=C1Br B41091 [0,1,0,0,0,0|2,0,0]=3 487 B10R1.30 ClCC1=CC(Cl)=CN=C1Br B42200 [0,1,0,0,0,0|3,0,0]=4 488 B10R1.30 N#CC1=C(N)N=CC(Br)=N1 A40618 [0,1,0,0,0,0|2,0,1]=4 489 B10R1.30 N#CC1=C(N)N=CC(Cl)=N1 A40625 [0,1,0,0,0,0|2,0,1]=4 490 B10R1.30 N#CC1=NC(Br)=CN=C1Br D14606 [0,1,0,0,0,0|2,0,1]=4 491 B10R1.30 N#CC1=NC(Cl)=CN=C1Cl D41288 [0,1,0,0,0,0|2,0,1]=4 492 B10R1.30 N#CC1=NC(F)=CN=C1F D60504 [0,1,0,0,0,0|2,0,1]=4 493 B10R1.30 NC1=C(C=O)N=C(Br)C=N1 A40807 [0,1,0,0,0,0|2,0,1]=4 494 B10R1.30 NC1=C(C=O)N=C(Cl)C=N1 A40810 [0,1,0,0,0,0|2,0,1]=4 495 B10R1.30 NC1=C(CO)N=C(Br)C=N1 A37107 [0,1,0,0,0,0|2,0,0]=3 496 B10R1.30 NC1=NC=C(Br)C=C1CO A43065 [0,1,0,0,0,0|3,0,0]=4 497 B10R1.30 NC1=NC=C(I)C=C1CO A68723 [0,1,0,0,0,0|3,0,0]=4 498 B10R1.30 NCC1=C(Br)C=CC(Cl)=N1 B42733 [0,1,0,0,0,0|3,0,0]=4 499 B10R1.30 NCC1=CC(Br)=CN=C1F A12901 [0,1,0,0,0,0|3,0,0]=4 500 B10R1.30 O=CC1=NC(Cl)=CN=C1Cl D13384 [0,1,0,0,0,0|2,0,1]=4 501 B10R1.30 OCC1=C(F)C=CC(Cl)=N1 C42671 [0,1,0,0,0,0|3,0,0]=4 502 B10R1.30 OCC1=CC(Br)=CN=C1Cl B12727 [0,1,0,0,0,0|3,0,0]=4 503 B10R1.30 OCC1=CC(Br)=CN=C1F B12899 [0,1,0,0,0,0|3,0,0]=4 504 B10R1.30 OCC1=CC(Cl)=CN=C1Br B42649 [0,1,0,0,0,0|3,0,0]=4 505 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 B45470 [0,1,0,0,0,0|2,0,1]=4 506 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [0,1,0,0,0,0|2,0,1]=4 507 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [0,1,0,0,0,0|1,0,1]=3 508 B10R1.61 CC(=O)C1=C(C)N=CN=C1 M45983 [0,1,0,0,0,0|2,0,1]=4 509 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 A11386 [0,1,0,0,0,0|2,0,1]=4 510 B10R1.61 CC(=O)C1=C(F)C=CC=N1 A12617 [0,1,0,0,0,0|2,0,1]=4 511 B10R1.61 CC(=O)C1=C(N)N=CC=C1 A45979 [0,1,0,0,0,0|2,0,1]=4 512 B10R1.61 CC(=O)C1=CC=CN=C1Br A13535 [0,1,0,0,0,0|2,0,1]=4 513 B10R1.61 CC(=O)C1=CC=CN=C1Cl A12691 [0,1,0,0,0,0|2,0,1]=4 514 B10R1.61 CC(=O)C1=CC=CN=C1F A45493 [0,1,0,0,0,0|2,0,1]=4 515 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [0,1,0,0,0,0|2,0,1]=4 516 B10R1.61 CC(=O)C1=NC=CN=C1C M45981 [0,1,0,0,0,0|0,0,1]=2 517 B10R1.61 CC(=O)C1=NC=CN=C1Cl A11547 [0,1,0,0,0,0|1,0,1]=3 518 B10R1.61 CC(=O)C1=NC=CN=C1N A14612 [0,1,0,0,0,0|1,0,1]=3 519 B10R1.61 CC(C)C1=C(Br)C=CC=C1 B49961 [0,1,0,0,0,0|3,0,0]=4 520 B10R1.61 CC(C)C1=C(I)C=CC=C1 K49972 [0,1,0,0,0,0|3,0,0]=4 521 B10R1.61 CC(C)C1=C([Mg+])C=CC=C1 P31757 [0,1,0,0,0,0|3,0,0]=4 522 B10R1.61 CC(C)C1=CC=CN=C1Br B32081 [0,1,0,0,0,0|2,0,0]=3 523 B10R1.61 CC(C)C1=CC=CN=C1Cl C36678 [0,1,0,0,0,0|2,0,0]=3 524 B10R1.61 CC(C)C1=CN=CN=C1Cl C37692 [0,1,0,0,0,0|3,0,0]=4 525 B10R1.61 CC(C)C1=NC=CC=C1N P46959 [0,1,0,0,0,0|2,0,0]=3 526 B10R1.61 CC1=C(B(O)O)C=CC=N1 M43542 [0,1,0,0,0,0|3,0,0]=4 527 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M14576 [0,1,0,0,0,0|2,0,1]=4 528 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M45814 [0,1,0,0,0,0|2,0,1]=4 529 B10R1.61 CC1=C(C(N)=O)C=CC=N1 M45974 [0,1,0,0,0,0|2,0,1]=4 530 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 T52160 [0,1,0,0,0,0|2,0,0]=3 531 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 T52162 [0,1,0,0,0,0|2,0,0]=3 532 B10R1.61 CC1=C([N+](=O)[O-])C=CC=N1 M0519 [0,1,0,0,0,0|3,0,0]=4 533 B10R1.61 CC1=C([N+](=O)[O-])C=CC=N1 M43521 [0,1,0,0,0,0|3,0,0]=4 534 B10R1.61 CC1=CC=CN=C1B(O)O M43294 [0,1,0,0,0,0|3,0,0]=4 535 B10R1.61 CC1=CC=CN=C1C(=N)N M46571 [0,1,0,0,0,0|2,0,1]=4 536 B10R1.61 CC1=CC=CN=C1C(=O)O M14577 [0,1,0,0,0,0|2,0,1]=4 537 B10R1.61 CC1=CC=CN=C1C(=O)O M62138 [0,1,0,0,0,0|2,0,1]=4 538 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] M3727 [0,1,0,0,0,0|3,0,0]=4 539 B10R1.61 CC1=NC=CN=C1C(=O)O M7738 [0,1,0,0,0,0|1,0,1]=3 540 B10R1.61 CN(C)C1=NC=CN=C1Cl C43272 [0,1,0,0,0,0|2,0,0]=3 541 B10R1.61 CN(C)C1=NC=CN=C1N A41445 [0,1,0,0,0,0|2,0,0]=3 542 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B37416 [0,1,0,0,0,0|3,0,0]=4 543 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B46741 [0,1,0,0,0,0|3,0,0]=4 544 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F46764 [0,1,0,0,0,0|3,0,0]=4 545 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F49507 [0,1,0,0,0,0|3,0,0]=4 546 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 B25268 [0,1,0,0,0,0|3,0,0]=4 547 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 C49446 [0,1,0,0,0,0|3,0,0]=4 548 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 F49460 [0,1,0,0,0,0|3,0,0]=4 549 B10R1.61 C[C@H](Br)C1=C(F)C=CC=C1 B48765 [0,1,0,0,0,0|3,0,0]=4 550 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B19470 [0,1,0,0,0,0|3,0,0]=4 551 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46723 [0,1,0,0,0,0|3,0,0]=4 552 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46742 [0,1,0,0,0,0|3,0,0]=4 553 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 C46756 [0,1,0,0,0,0|3,0,0]=4 554 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F46760 [0,1,0,0,0,0|3,0,0]=4 555 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F49510 [0,1,0,0,0,0|3,0,0]=4 556 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F64880 [0,1,0,0,0,0|3,0,0]=4 557 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 B49429 [0,1,0,0,0,0|3,0,0]=4 558 B10R1.61 C[C@H](O)C1=C(Br)C=CC=N1 B37274 [0,1,0,0,0,0|2,0,0]=3 559 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C49448 [0,1,0,0,0,0|3,0,0]=4 560 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C66089 [0,1,0,0,0,0|3,0,0]=4 561 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 F49462 [0,1,0,0,0,0|3,0,0]=4 562 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 A65242 [0,1,0,0,0,0|2,0,0]=3 563 B10R1.61 C[C@H](O)C1=CC=CN=C1Cl C46191 [0,1,0,0,0,0|2,0,0]=3 564 B10R1.61 FC(F)C1=C(Br)C=CC=N1 B42218 [0,1,0,0,0,0|3,0,0]=4 565 B10R1.61 FC(F)C1=CC=CN=C1Br B42217 [0,1,0,0,0,0|3,0,0]=4 566 B10R1.61 NC(=O)C1=NC=CN=C1Br B61986 [0,1,0,0,0,0|2,0,1]=4 567 B10R1.61 NC(=O)C1=NC=CN=C1Cl C40808 [0,1,0,0,0,0|2,0,1]=4 568 B10R1.61 NC(=O)C1=NC=CN=C1N A41098 [0,1,0,0,0,0|2,0,1]=4 569 B10R1.61 NC(=O)C1=NC=CN=C1O H37958 [0,1,0,0,0,0|2,0,1]=4 570 B10R1.61 NC(=O)C1=NC=CN=C1[O-] S65958 [0,1,0,0,0,0|2,0,1]=4 571 B10R1.61 NC1=C(C(F)F)C=CC=N1 D42768 [0,1,0,0,0,0|3,0,0]=4 572 B10R1.61 NC1=NC=CN=C1C(=O)O A69313 [0,1,0,0,0,0|2,0,1]=4 573 B10R1.61 O=C(O)C1=NC=CN=C1Br B40577 [0,1,0,0,0,0|2,0,1]=4 574 B10R1.61 O=C(O)C1=NC=CN=C1Cl C10353 [0,1,0,0,0,0|2,0,1]=4 575 B10R1.61 O=C(O)C1=NC=CN=C1I K40592 [0,1,0,0,0,0|2,0,1]=4 576 B10R1.61 O=[N+]([O-])C1=NC=CN=C1Cl C9778 [0,1,0,0,0,0|3,0,0]=4 577 B10R1.245 CC1=CC=CC(C)=C1CBr B38662 [0,1,0,0,0,0|3,0,0]=4 578 B10R1.245 CC1=CC=CC(C)=C1CCl C49970 [0,1,0,0,0,0|3,0,0]=4 579 B10R1.245 CC1=CC=CC(C)=C1CN D38617 [0,1,0,0,0,0|3,0,0]=4 580 B10R1.245 CC1=CC=CC(C)=C1CO D50274 [0,1,0,0,0,0|3,0,0]=4 581 B10R1.245 CC1=CC=CC(F)=C1CO F49464 [0,1,0,0,0,0|3,0,0]=4 582 B10R1.245 CC1=CC=CC(O)=C1CO H46831 [0,1,0,0,0,0|3,0,0]=4 583 B10R1.245 COC1=C(Cl)C=CN=C1C C11879 [0,1,0,0,0,0|2,0,0]=3 584 B10R1.245 COC1=C(Cl)C=CN=C1N C18269 [0,1,0,0,0,0|3,0,0]=4 585 B10R1.245 COC1=C(F)C=CN=C1N F43082 [0,1,0,0,0,0|3,0,0]=4 586 B10R1.245 OCC1=C(I)C=CN=C1F F3125 [0,1,0,0,0,0|3,0,0]=4 587 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [0,0,0,1,0,0|3,0,0]=4 588 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [0,0,0,1,0,0|3,0,0]=4 589 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [0,0,0,1,0,0|1,0,0]=2 590 B10R2.7 C1=CN=C2CNCC2=C1 D12180 [0,0,0,1,0,0|2,0,0]=3 591 B10R2.7 C1=CN=C2CNCC2=C1 D3602 [0,0,0,1,0,0|2,0,0]=3 592 B10R2.7 C1=CN=C2NC=CC2=N1 P7478 [0,0,0,1,0,0|1,0,2]=4 593 B10R2.7 C1=CN=C2NC=NC2=N1 K40813 [0,0,0,1,0,0|2,0,1]=4 594 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [0,0,0,1,0,0|2,0,0]=3 595 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [0,0,0,1,0,0|2,0,0]=3 596 B10R2.7 C1=CN=C2NN=CC2=N1 P6228 [0,0,0,1,0,0|2,0,1]=4 597 B10R2.7 C1=CN=C2SC=CC2=N1 T42141 [0,0,0,1,0,0|1,0,2]=4 598 B10R2.7 C1=NC=C2CNCC2=N1 D14103 [0,0,0,1,0,0|3,0,0]=4 599 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [0,0,0,1,0,0|3,0,0]=4 600 B8R1.11 BrCC1=C(Br)SC=C1 B7575 [0,0,0,0,1,0|3,0,0]=4 601 B8R1.11 CC1=C(C=O)N=CN1 M41031 [0,0,0,0,1,0|1,0,2]=4 602 B8R1.11 CC1=C(C=O)N=CS1 M41008 [0,0,0,0,1,0|2,0,1]=4 603 B8R1.11 CC1=C(C=O)NC=C1 M63105 [0,0,0,0,1,0|1,0,2]=4 604 B8R1.11 CC1=C(C=O)SC=C1 M39271 [0,0,0,0,1,0|2,0,1]=4 605 B8R1.11 CC1=C(C=O)SC=N1 M41007 [0,0,0,0,1,0|2,0,1]=4 606 B8R1.11 CC1=C(CCl)NC=N1 C2452 [0,0,0,0,1,0|1,0,1]=3 607 B8R1.11 CC1=C(CO)NC=N1 H2822 [0,0,0,0,1,0|1,0,1]=3 608 B8R1.11 CC1=CNN=C1CO M63844 [0,0,0,0,1,0|2,0,0]=3 609 B8R1.11 CC1=NNC=C1C#N M18620 [0,0,0,0,1,0|2,0,1]=4 610 B8R1.11 CC1=NNC=C1C=O M5838 [0,0,0,0,1,0|2,0,1]=4 611 B8R1.11 CC1=NON=C1CN M61342 [0,0,0,0,1,0|2,0,0]=3 612 B8R1.11 CC1=NSC=C1C#N M40783 [0,0,0,0,1,0|2,0,1]=4 613 B8R1.11 CCC1=NC=CN1C E46632 [0,0,0,0,1,0|1,0,0]=2 614 B8R1.11 CCN1C=CN=C1C E63017 [0,0,0,0,1,0|1,0,0]=2 615 B8R1.11 CCN1N=CC=C1N E10472 [0,0,0,0,1,0|2,0,0]=3 616 B8R1.11 CN1C=CC=C1CN M41429 [0,0,0,0,1,0|3,0,0]=4 617 B8R1.11 CN1C=CN=C1C#N M0676 [0,0,0,0,1,0|2,0,1]=4 618 B8R1.11 CN1C=CN=C1C=O M14037 [0,0,0,0,1,0|2,0,1]=4 619 B8R1.11 CN1C=CN=C1CCl C41129 [0,0,0,0,1,0|2,0,0]=3 620 B8R1.11 CN1C=CN=C1CCl C41132 [0,0,0,0,1,0|2,0,0]=3 621 B8R1.11 CN1C=CN=C1CN A13925 [0,0,0,0,1,0|2,0,0]=3 622 B8R1.11 CN1C=CN=C1CO M41198 [0,0,0,0,1,0|2,0,0]=3 623 B8R1.11 CN1C=NN=C1CO M40222 [0,0,0,0,1,0|3,0,0]=4 624 B8R1.11 CN1N=CC=C1C#N M12750 [0,0,0,0,1,0|2,0,1]=4 625 B8R1.11 CN1N=CC=C1C=O M12515 [0,0,0,0,1,0|2,0,1]=4 626 B8R1.11 CN1N=CC=C1CCl C41130 [0,0,0,0,1,0|2,0,0]=3 627 B8R1.11 CN1N=CC=C1CN M9954 [0,0,0,0,1,0|2,0,0]=3 628 B8R1.11 CSC1=C(C)OC=C1 M43319 [0,0,0,0,1,0|2,0,0]=3 629 B8R1.11 ClCC1=C(Cl)SC=C1 C37492 [0,0,0,0,1,0|3,0,0]=4 630 B8R1.11 NCC1=C(Cl)C=CS1 A7919 [0,0,0,0,1,0|3,0,0]=4 631 B8R1.11 OCC1=C(Br)C=CS1 B14083 [0,0,0,0,1,0|3,0,0]=4 632 B8R1.11 OCC1=C(Br)N=CS1 B38277 [0,0,0,0,1,0|3,0,0]=4 633 B8R1.11 OCC1=C(Br)SC=C1 B41017 [0,0,0,0,1,0|3,0,0]=4 634 B8R1.11 OCC1=C(Cl)C=CS1 C11289 [0,0,0,0,1,0|3,0,0]=4 635 B7R0.10 CC(=N/O)\C(C)=N\O B68610 [1,0,1,0,0,0|2,0,0]=4 636 B7R1.3 BrC1=CN=CC=C1 B2746 [2,0,0,0,0,0|2,0,0]=4 637 B7R1.3 BrC1=NC=CN=C1 B40020 [2,0,0,0,0,0|1,0,0]=3 638 B7R1.3 CC1=CC=CN=N1 M0216 [2,0,0,0,0,0|2,0,0]=4 639 B7R1.3 CC1=CN=CN=C1 M41018 [2,0,0,0,0,0|2,0,0]=4 640 B7R1.3 CC1=CN=NC=C1 M3532 [2,0,0,0,0,0|2,0,0]=4 641 B7R1.3 CC1=NC=CC=N1 M68916 [2,0,0,0,0,0|2,0,0]=4 642 B7R1.3 CC1=NC=CN=C1 M61917 [2,0,0,0,0,0|0,0,0]=2 643 B7R1.3 CC1=NC=CN=N1 M36785 [2,0,0,0,0,0|1,0,0]=3 644 B7R1.3 CC1=NC=NC=C1 M7491 [2,0,0,0,0,0|2,0,0]=4 645 B7R1.3 ClC1=CN=CC=C1 C68367 [2,0,0,0,0,0|2,0,0]=4 646 B7R1.3 ClC1=NC=CN=C1 C5165 [2,0,0,0,0,0|1,0,0]=3 647 B7R1.3 FC1=CN=CC=C1 F1892 [2,0,0,0,0,0|2,0,0]=4 648 B7R1.3 FC1=NC=CC=C1 F4862 [2,0,0,0,0,0|2,0,0]=4 649 B7R1.3 FC1=NC=CN=C1 F40023 [2,0,0,0,0,0|1,0,0]=3 650 B7R1.3 IC1=CN=CC=C1 I16635 [2,0,0,0,0,0|2,0,0]=4 651 B7R1.3 IC1=NC=CC=C1 K67594 [2,0,0,0,0,0|2,0,0]=4 652 B7R1.3 IC1=NC=CN=C1 I2669 [2,0,0,0,0,0|1,0,0]=3 653 B7R1.3 NC1=NC=CC=C1 A23973 [2,0,0,0,0,0|2,0,0]=4 654 B7R1.3 NC1=NC=CN=C1 A15535 [2,0,0,0,0,0|1,0,0]=3 655 B7R1.3 NC1=NC=CN=N1 T67661 [2,0,0,0,0,0|2,0,0]=4 656 B7R1.3 O=C1C=NC=CN1 H68630 [2,0,0,0,0,0|1,0,1]=4 657 B7R1.3 OC1=NC=CC=C1 P61113 [2,0,0,0,0,0|2,0,0]=4 658 B7R1.3 [Mg+]C1=CN=CC=C1 P8350 [2,0,0,0,0,0|2,0,0]=4 659 B7R1.3 [Mg+]C1=NC=CC=C1 P8351 [2,0,0,0,0,0|2,0,0]=4 660 B9R1.1 BrCC1=NC=C(Br)C=C1 B42521 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.1 CC1=CN=C(C#N)C=N1 M42468 [1,1,0,0,0,0|1,0,1]=4 662 B9R1.1 CC1=CN=C(C=O)C=N1 M14618 [1,1,0,0,0,0|1,0,1]=4 663 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.1 CC1=CN=C(CCl)C=N1 C11548 [1,1,0,0,0,0|1,0,0]=3 665 B9R1.1 CC1=CN=C(CCl)C=N1 C43004 [1,1,0,0,0,0|1,0,0]=3 666 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.1 CC1=CN=C(CN)C=N1 A3139 [1,1,0,0,0,0|1,0,0]=3 669 B9R1.1 CC1=CN=C(CO)C=N1 M43210 [1,1,0,0,0,0|1,0,0]=3 670 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [1,1,0,0,0,0|1,0,0]=3 679 B9R1.1 CCC1=CN=C(Cl)N=C1 E11897 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [1,1,0,0,0,0|1,0,0]=3 681 B9R1.1 CCC1=CN=C(N)N=C1 E28664 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [1,1,0,0,0,0|1,0,0]=3 683 B9R1.1 CCC1=NC=C(Br)C=N1 B36933 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [1,1,0,0,0,0|1,0,0]=3 685 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [1,1,0,0,0,0|1,0,0]=3 686 B9R1.1 CCC1=NC=C(N)C=N1 A11320 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.1 CNC1=NC=C(Br)C=C1 B42975 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.1 CNC1=NC=C(F)C=C1 F32100 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.1 CNC1=NC=C(N)C=C1 M43342 [1,1,0,0,0,0|2,0,0]=4 692 B9R1.1 CNC1=NC=C(N)C=C1 M43545 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.1 COC1=CN=C(Br)C=C1 B5045 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.1 COC1=CN=C(Br)C=N1 B14594 [1,1,0,0,0,0|1,0,0]=3 695 B9R1.1 COC1=CN=C(Cl)C=C1 C19386 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.1 COC1=CN=C(Cl)C=N1 C14595 [1,1,0,0,0,0|1,0,0]=3 697 B9R1.1 COC1=CN=C(F)C=C1 F42925 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.1 COC1=CN=C(I)C=C1 I5931 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.1 COC1=CN=C(N)C=C1 A10497 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.1 COC1=NC=C(C)C=C1 M67554 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.1 COC1=NC=C(F)C=C1 F24011 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.1 COC1=NC=C(I)C=C1 K42935 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.1 COC1=NC=C(N)C=C1 A12692 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.1 COC1=NC=C(N)N=C1 M9733 [1,1,0,0,0,0|1,0,0]=3 707 B9R1.1 COC1=NC=C(O)C=C1 H43140 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.1 CSC1=CN=C(Br)C=N1 B40873 [1,1,0,0,0,0|1,0,0]=3 709 B9R1.1 CSC1=CN=C(N)C=C1 A43262 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.1 CSC1=NC=C(Br)C=C1 B2646 [1,1,0,0,0,0|2,0,0]=4 711 B9R1.1 ClC1=CN=C(CBr)C=C1 B42537 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.1 ClCC1=CN=C(Br)C=C1 B42528 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.1 ClCC1=CN=C(Br)C=C1 B42539 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.1 ClCC1=CN=C(Cl)C=N1 C40730 [1,1,0,0,0,0|1,0,0]=3 715 B9R1.1 ClCC1=NC=C(Br)C=C1 B42540 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.1 ClCC1=NC=C(Br)C=C1 B61533 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.1 ClCC1=NC=C(Cl)C=C1 C14676 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.1 ClCC1=NC=C(Cl)C=C1 C42565 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.1 FC1=NC=C(CBr)C=C1 B39061 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.1 FC1=NC=C(CBr)C=C1 B7888 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.1 FC1=NC=C(CCl)C=C1 C7887 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.1 N#CC1=CN=C(Br)C=N1 B3579 [1,1,0,0,0,0|1,0,1]=4 723 B9R1.1 N#CC1=CN=C(Cl)C=N1 C4890 [1,1,0,0,0,0|1,0,1]=4 724 B9R1.1 N#CC1=NC=C(N)N=C1 A3818 [1,1,0,0,0,0|1,0,1]=4 725 B9R1.1 NC1=CN=C(C=O)C=N1 A63812 [1,1,0,0,0,0|1,0,1]=4 726 B9R1.1 NC1=NC=C(CO)C=C1 A0345 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.1 NCC1=CN=C(Br)C=C1 B42976 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.1 NCC1=CN=C(Cl)C=C1 A0585 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.1 NCC1=CN=C(F)C=C1 A13990 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.1 NCC1=NC=C(Br)C=C1 B15775 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.1 NCC1=NC=C(Br)C=C1 B42983 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.1 NCC1=NC=C(Br)C=C1 B7021 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.1 NCC1=NC=C(Cl)C=C1 C43002 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.1 NCC1=NC=C(Cl)C=C1 C43003 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.1 NCC1=NC=C(N)C=C1 A36932 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.1 NNC1=CN=C(Cl)C=N1 C14613 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.1 O=CC1=CN=C(Cl)C=N1 C12389 [1,1,0,0,0,0|1,0,1]=4 738 B9R1.1 OCC1=CN=C(Br)C=C1 B12392 [1,1,0,0,0,0|2,0,0]=4 739 B9R1.1 OCC1=CN=C(Cl)C=C1 C9389 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.1 OCC1=CN=C(Cl)C=N1 C1534 [1,1,0,0,0,0|1,0,0]=3 741 B9R1.1 OCC1=CN=C(F)C=C1 F13989 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.1 OCC1=NC=C(Br)C=C1 B3203 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.1 OCC1=NC=C(Cl)C=C1 C22297 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.1 OCC1=NC=C(F)C=C1 F0644 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.2 BrCC1=CC=CC(Br)=N1 B42519 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.2 CC1=CC(CCl)=CN=C1 C46109 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.2 CC1=CC(CCl)=NC=C1 C46106 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.2 CC1=CC(CO)=CN=C1 H10516 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.2 CC1=CN=CC(C#N)=N1 M42469 [1,1,0,0,0,0|1,0,1]=4 758 B9R1.2 CC1=CN=CC(C=O)=N1 M16928 [1,1,0,0,0,0|1,0,1]=4 759 B9R1.2 CC1=CN=CC(CCl)=N1 C43005 [1,1,0,0,0,0|1,0,0]=3 760 B9R1.2 CCC1=CC(=O)NC=N1 E43198 [1,1,0,0,0,0|2,0,0]=4 761 B9R1.2 CCC1=CC(=O)NN=C1 E43197 [1,1,0,0,0,0|2,0,0]=4 762 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [1,1,0,0,0,0|1,0,0]=3 763 B9R1.2 CCC1=CC(Cl)=NC=N1 C69336 [1,1,0,0,0,0|2,0,0]=4 764 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [1,1,0,0,0,0|2,0,0]=4 765 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [1,1,0,0,0,0|1,0,0]=3 766 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [1,1,0,0,0,0|1,0,0]=3 768 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [1,1,0,0,0,0|2,0,0]=4 769 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [1,1,0,0,0,0|1,0,0]=3 770 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [1,1,0,0,0,0|1,0,0]=3 771 B9R1.2 CCC1=NC=CC(Cl)=N1 C29661 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [1,1,0,0,0,0|1,0,0]=3 773 B9R1.2 CNC1=CC=CC(Cl)=N1 C43001 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.2 CNC1=NC=CC(Br)=C1 B23788 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.2 CNC1=NC=CC(N)=C1 M43544 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.2 COC1=CC(Br)=CN=C1 B2876 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.2 COC1=CC=CC(Br)=N1 B2785 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.2 COC1=CC=CC(Cl)=N1 C39269 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.2 COC1=CC=CC(F)=N1 F67375 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.2 COC1=CC=CC(I)=N1 K42932 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.2 COC1=CN=CC(Cl)=N1 C2454 [1,1,0,0,0,0|1,0,0]=3 783 B9R1.2 COC1=CN=CC(I)=N1 I2676 [1,1,0,0,0,0|1,0,0]=3 784 B9R1.2 COC1=CN=CC(N)=C1 A14114 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.2 COC1=CN=CC(N)=C1 A7930 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.2 COC1=CN=CC(O)=C1 M43136 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.2 COC1=NC(C)=CC=C1 M46380 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.2 COC1=NC(N)=CC=C1 A43190 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.2 COC1=NC(N)=CN=C1 A8995 [1,1,0,0,0,0|1,0,0]=3 790 B9R1.2 COC1=NC=CC(Br)=C1 B3113 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.2 COC1=NC=CC(C)=C1 M46379 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.2 COC1=NC=CC(Cl)=C1 C42902 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.2 COC1=NC=CC(F)=C1 F42927 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.2 COC1=NC=CC(I)=C1 K60534 [1,1,0,0,0,0|2,0,0]=4 795 B9R1.2 COC1=NC=CC(N)=C1 M3947 [1,1,0,0,0,0|2,0,0]=4 796 B9R1.2 COC1=NC=CC(O)=C1 M38428 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.2 CSC1=CC=CC(Br)=N1 B2786 [1,1,0,0,0,0|2,0,0]=4 798 B9R1.2 CSC1=NC=CC(Cl)=C1 C42846 [1,1,0,0,0,0|2,0,0]=4 799 B9R1.2 ClCC1=CC(Br)=CN=C1 B15185 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.2 ClCC1=CC(Cl)=CN=C1 C1777 [1,1,0,0,0,0|2,0,0]=4 801 B9R1.2 ClCC1=CC=CC(Br)=N1 B27809 [1,1,0,0,0,0|2,0,0]=4 802 B9R1.2 ClCC1=CC=CC(Cl)=N1 C42562 [1,1,0,0,0,0|2,0,0]=4 803 B9R1.2 ClCC1=NC=CC(Cl)=C1 C32395 [1,1,0,0,0,0|2,0,0]=4 804 B9R1.2 FC1=CC(CBr)=CN=C1 B37165 [1,1,0,0,0,0|2,0,0]=4 805 B9R1.2 FC1=CC(CCl)=CN=C1 C1821 [1,1,0,0,0,0|2,0,0]=4 806 B9R1.2 FC1=CC=CC(CBr)=N1 B42547 [1,1,0,0,0,0|2,0,0]=4 807 B9R1.2 FC1=CC=CC(CCl)=N1 C42570 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.2 N#CC1=CN=CC(Br)=N1 B40486 [1,1,0,0,0,0|1,0,1]=4 809 B9R1.2 N#CC1=CN=CC(Cl)=N1 C4892 [1,1,0,0,0,0|1,0,1]=4 810 B9R1.2 N#CC1=NC(N)=CN=C1 A11545 [1,1,0,0,0,0|1,0,1]=4 811 B9R1.2 NC1=CC(CO)=CN=C1 A43207 [1,1,0,0,0,0|2,0,0]=4 812 B9R1.2 NC1=CC(CO)=NC=C1 A15900 [1,1,0,0,0,0|2,0,0]=4 813 B9R1.2 NC1=CC=CC(CO)=N1 A43208 [1,1,0,0,0,0|2,0,0]=4 814 B9R1.2 NCC1=CC(F)=CN=C1 F5829 [1,1,0,0,0,0|2,0,0]=4 815 B9R1.2 NCC1=CC=CC(Br)=N1 B42981 [1,1,0,0,0,0|2,0,0]=4 816 B9R1.2 NCC1=CC=CC(Cl)=N1 C43006 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.2 NCC1=CN=CC(Cl)=N1 C18971 [1,1,0,0,0,0|1,0,0]=3 818 B9R1.2 NCC1=NC=CC(Br)=C1 A1747 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.2 NCC1=NC=CC(Br)=C1 B42982 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.2 NCC1=NC=CC(Cl)=C1 A14281 [1,1,0,0,0,0|2,0,0]=4 821 B9R1.2 NCC1=NC=CC(F)=C1 F43529 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.2 O=CC1=CN=CC(Cl)=N1 C14597 [1,1,0,0,0,0|1,0,1]=4 823 B9R1.2 OCC1=CC(Br)=CN=C1 B12503 [1,1,0,0,0,0|2,0,0]=4 824 B9R1.2 OCC1=CC(Cl)=CN=C1 C42912 [1,1,0,0,0,0|2,0,0]=4 825 B9R1.2 OCC1=CC(F)=CN=C1 F0704 [1,1,0,0,0,0|2,0,0]=4 826 B9R1.2 OCC1=CC(O)=CN=C1 H39124 [1,1,0,0,0,0|2,0,0]=4 827 B9R1.2 OCC1=CC=CC(Br)=N1 B12271 [1,1,0,0,0,0|2,0,0]=4 828 B9R1.2 OCC1=CC=CC(Cl)=N1 C38619 [1,1,0,0,0,0|2,0,0]=4 829 B9R1.2 OCC1=CC=CC(Cl)=N1 C42916 [1,1,0,0,0,0|2,0,0]=4 830 B9R1.2 OCC1=CC=CC(F)=N1 F67771 [1,1,0,0,0,0|2,0,0]=4 831 B9R1.2 OCC1=CN=CC(Br)=N1 B40916 [1,1,0,0,0,0|1,0,0]=3 832 B9R1.2 OCC1=CN=CC(Cl)=N1 C14609 [1,1,0,0,0,0|1,0,0]=3 833 B9R1.2 OCC1=NC=CC(Br)=C1 B0602 [1,1,0,0,0,0|2,0,0]=4 834 B9R1.2 OCC1=NC=CC(Cl)=C1 C12436 [1,1,0,0,0,0|2,0,0]=4 835 B9R1.2 OCC1=NC=CC(F)=C1 F37340 [1,1,0,0,0,0|2,0,0]=4 836 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [1,1,0,0,0,0|0,0,1]=3 837 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [1,1,0,0,0,0|1,0,0]=3 838 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [1,1,0,0,0,0|2,0,0]=4 839 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [1,1,0,0,0,0|1,0,0]=3 840 B9R1.6 C[C@@H](N)C1=CN=CN=C1 A12922 [1,1,0,0,0,0|2,0,0]=4 841 B9R1.6 C[C@@H](N)C1=CN=CN=C1 P27095 [1,1,0,0,0,0|2,0,0]=4 842 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [1,1,0,0,0,0|1,0,0]=3 843 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [1,1,0,0,0,0|1,0,0]=3 844 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [1,1,0,0,0,0|2,0,0]=4 845 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [1,1,0,0,0,0|1,0,0]=3 846 B9R1.6 C[C@H](Br)C1=NC=CN=C1 B42963 [1,1,0,0,0,0|0,0,0]=2 847 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [1,1,0,0,0,0|2,0,0]=4 848 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [1,1,0,0,0,0|2,0,0]=4 849 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [1,1,0,0,0,0|1,0,0]=3 850 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [1,1,0,0,0,0|1,0,0]=3 851 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [1,1,0,0,0,0|1,0,0]=3 852 B9R1.6 C[C@H](N)C1=CN=CN=C1 A12921 [1,1,0,0,0,0|2,0,0]=4 853 B9R1.6 C[C@H](N)C1=CN=CN=C1 A7447 [1,1,0,0,0,0|2,0,0]=4 854 B9R1.6 C[C@H](N)C1=CN=NC=C1 P30996 [1,1,0,0,0,0|2,0,0]=4 855 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [1,1,0,0,0,0|1,0,0]=3 856 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [1,1,0,0,0,0|1,0,0]=3 857 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [1,1,0,0,0,0|2,0,0]=4 858 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [1,1,0,0,0,0|0,0,0]=2 859 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [1,1,0,0,0,0|2,0,0]=4 860 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [1,1,0,0,0,0|1,0,0]=3 862 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [1,1,0,0,0,0|0,0,0]=2 863 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.6 N=C(N)C1=NC=CN=C1 P60819 [1,1,0,0,0,0|1,0,1]=4 865 B9R1.6 O=C(O)C1=NC=CN=C1 P2716 [1,1,0,0,0,0|1,0,1]=4 866 B9R1.6 OB(O)C1=NC=CN=C1 P36936 [1,1,0,0,0,0|2,0,0]=4 867 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,1,0,0,0,0|1,0,0]=3 868 B9R1.8 CCCC1=NC=CN=C1 P43598 [1,1,0,0,0,0|0,0,0]=2 869 B9R1.8 CCNC1=NC=CN=C1 E43330 [1,1,0,0,0,0|0,0,0]=2 870 B9R1.8 CCOC1=NC=CC=C1 E46369 [1,1,0,0,0,0|1,0,0]=3 871 B9R1.8 CNCC1=CN=CN=C1 N11436 [1,1,0,0,0,0|2,0,0]=4 872 B9R1.8 CNCC1=CN=NC=C1 M12238 [1,1,0,0,0,0|2,0,0]=4 873 B9R1.8 CNCC1=CN=NC=C1 M27035 [1,1,0,0,0,0|2,0,0]=4 874 B9R1.8 CNCC1=NC=CC=N1 M14362 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.8 CNCC1=NC=CC=N1 M31227 [1,1,0,0,0,0|2,0,0]=4 876 B9R1.8 CNCC1=NC=CN=C1 M14584 [1,1,0,0,0,0|0,0,0]=2 877 B9R1.8 COCC1=NC=CC=C1 M46377 [1,1,0,0,0,0|1,0,0]=3 878 B9R1.8 N#CCC1=CN=CC=C1 P38543 [1,1,0,0,0,0|1,0,1]=4 879 B9R1.8 N#CCC1=NC=CC=C1 P45196 [1,1,0,0,0,0|1,0,1]=4 880 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,1,0,0,0,0|1,0,0]=3 881 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,1,0,0,0,0|1,0,0]=3 882 B9R1.8 NCCC1=NC=NC=C1 P14666 [1,1,0,0,0,0|2,0,0]=4 883 B9R1.8 NCCC1=NC=NC=C1 P29961 [1,1,0,0,0,0|2,0,0]=4 884 B9R1.8 NNCC1=CC=CN=C1 H0097 [1,1,0,0,0,0|2,0,0]=4 885 B9R1.8 NNCC1=CC=CN=C1 H36962 [1,1,0,0,0,0|2,0,0]=4 886 B9R1.8 NNCC1=NC=CC=C1 H0098 [1,1,0,0,0,0|2,0,0]=4 887 B9R1.8 NNCC1=NC=CN=C1 H7534 [1,1,0,0,0,0|1,0,0]=3 888 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,1,0,0,0,0|1,0,0]=3 889 B9R1.8 OCCC1=NC=CN=C1 P24824 [1,1,0,0,0,0|0,0,0]=2 890 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [1,1,0,0,0,0|2,0,0]=4 891 B9R1.8 [N-]=[N+]=NC1=NC=CN=C1 A31883 [1,1,0,0,0,0|2,0,0]=4 892 B9R1.3 CC1=C(Br)C=CN=C1Cl B18413 [1,1,0,0,0,0|2,0,0]=4 893 B9R1.3 CC1=C(Br)C=CN=C1F B18412 [1,1,0,0,0,0|2,0,0]=4 894 B9R1.3 CC1=C(Br)C=CN=C1N B42972 [1,1,0,0,0,0|2,0,0]=4 895 B9R1.3 CC1=C(C)C(Br)=NC=C1 B38974 [1,1,0,0,0,0|2,0,0]=4 896 B9R1.3 CC1=C(C)C(Cl)=NC=C1 C46100 [1,1,0,0,0,0|2,0,0]=4 897 B9R1.3 CC1=C(C)C(Cl)=NC=N1 C42992 [1,1,0,0,0,0|2,0,0]=4 898 B9R1.3 CC1=C(C)C(N)=NC=C1 D43609 [1,1,0,0,0,0|2,0,0]=4 899 B9R1.3 CC1=C(C)C(N)=NC=N1 D43340 [1,1,0,0,0,0|2,0,0]=4 900 B9R1.3 CC1=C(C)C(O)=NC=N1 D43196 [1,1,0,0,0,0|2,0,0]=4 901 B9R1.3 CC1=C(Cl)C=CN=C1Br B61884 [1,1,0,0,0,0|2,0,0]=4 902 B9R1.3 CC1=C(Cl)C=CN=C1Cl D18641 [1,1,0,0,0,0|2,0,0]=4 903 B9R1.3 CC1=C(Cl)C=CN=C1N C42996 [1,1,0,0,0,0|2,0,0]=4 904 B9R1.3 CC1=C(I)C=CN=C1Cl C68165 [1,1,0,0,0,0|2,0,0]=4 905 B9R1.3 CC1=C(I)C=CN=C1F F42593 [1,1,0,0,0,0|2,0,0]=4 906 B9R1.3 CC1=CC=CC(F)=C1C F49163 [1,1,0,0,0,0|2,0,0]=4 907 B9R1.3 CC1=CC=CC(I)=C1C K49168 [1,1,0,0,0,0|2,0,0]=4 908 B9R1.3 CC1=CC=CC([Mg+])=C1C D31734 [1,1,0,0,0,0|2,0,0]=4 909 B9R1.3 CC1=CC=NC(C)=C1Br B46081 [1,1,0,0,0,0|2,0,0]=4 910 B9R1.3 CC1=NC=CC(Br)=C1C B46083 [1,1,0,0,0,0|1,0,0]=3 911 B9R1.3 CC1=NC=CC(Br)=C1F B32156 [1,1,0,0,0,0|2,0,0]=4 912 B9R1.3 CC1=NC=CC(Cl)=C1F C42575 [1,1,0,0,0,0|2,0,0]=4 913 B9R1.3 CC1=NC=CC(N)=C1C A9714 [1,1,0,0,0,0|1,0,0]=3 914 B9R1.3 CC1=NC=CC(N)=C1F F43014 [1,1,0,0,0,0|2,0,0]=4 915 B9R1.3 CC1=NC=CC(N)=C1N M43332 [1,1,0,0,0,0|2,0,0]=4 916 B9R1.69 CC1=C(Br)C=C(Br)C=N1 D15335 [1,1,0,0,0,0|2,0,0]=4 917 B9R1.69 CC1=C(Br)C=C(N)C=N1 B0530 [1,1,0,0,0,0|2,0,0]=4 918 B9R1.69 CC1=C(Br)C=C(O)C=N1 B22011 [1,1,0,0,0,0|2,0,0]=4 919 B9R1.69 CC1=C(Br)C=CC(Br)=N1 D23496 [1,1,0,0,0,0|2,0,0]=4 920 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 B18652 [1,1,0,0,0,0|2,0,0]=4 921 B9R1.69 CC1=C(Br)C=CC(F)=N1 B42551 [1,1,0,0,0,0|2,0,0]=4 922 B9R1.69 CC1=C(Br)C=CC(N)=N1 B5097 [1,1,0,0,0,0|2,0,0]=4 923 B9R1.69 CC1=C(Br)C=CC(O)=N1 B42887 [1,1,0,0,0,0|2,0,0]=4 924 B9R1.69 CC1=C(C)C=C(F)C=C1 F49166 [1,1,0,0,0,0|2,0,0]=4 925 B9R1.69 CC1=C(C)C=C(I)C=C1 K49170 [1,1,0,0,0,0|2,0,0]=4 926 B9R1.69 CC1=C(C)C=C([Mg+])C=C1 D31727 [1,1,0,0,0,0|2,0,0]=4 927 B9R1.69 CC1=C(C)N=C(Br)C=N1 B42969 [1,1,0,0,0,0|0,0,0]=2 928 B9R1.69 CC1=C(C)N=C(Cl)C=C1 C46102 [1,1,0,0,0,0|1,0,0]=3 929 B9R1.69 CC1=C(C)N=C(Cl)C=N1 C42990 [1,1,0,0,0,0|0,0,0]=2 930 B9R1.69 CC1=C(C)N=C(N)C=C1 D24371 [1,1,0,0,0,0|1,0,0]=3 931 B9R1.69 CC1=C(C)N=C(N)C=N1 D24637 [1,1,0,0,0,0|0,0,0]=2 932 B9R1.69 CC1=C(C)N=C(N)N=C1 D43338 [1,1,0,0,0,0|2,0,0]=4 933 B9R1.69 CC1=C(C)NC(=O)C=N1 D43209 [1,1,0,0,0,0|0,0,1]=3 934 B9R1.69 CC1=C(Cl)C=C(O)C=N1 C42908 [1,1,0,0,0,0|2,0,0]=4 935 B9R1.69 CC1=C(Cl)C=CC(Br)=N1 B42536 [1,1,0,0,0,0|2,0,0]=4 936 B9R1.69 CC1=C(Cl)C=CC(Cl)=N1 D42561 [1,1,0,0,0,0|2,0,0]=4 937 B9R1.69 CC1=C(Cl)C=CC(N)=N1 C42999 [1,1,0,0,0,0|2,0,0]=4 938 B9R1.69 CC1=C(Cl)C=CC(O)=N1 C42907 [1,1,0,0,0,0|2,0,0]=4 939 B9R1.69 CC1=C(Cl)N=CC(Br)=N1 B63362 [1,1,0,0,0,0|1,0,0]=3 940 B9R1.69 CC1=C(F)C=CC(Br)=N1 B4782 [1,1,0,0,0,0|2,0,0]=4 941 B9R1.69 CC1=C(F)C=CC(Cl)=N1 C26077 [1,1,0,0,0,0|2,0,0]=4 942 B9R1.69 CC1=C(F)C=CC(N)=N1 A16597 [1,1,0,0,0,0|2,0,0]=4 943 B9R1.69 CC1=C(I)C=CC(F)=N1 F42596 [1,1,0,0,0,0|2,0,0]=4 944 B9R1.69 CC1=C(I)C=CC(N)=N1 K43025 [1,1,0,0,0,0|2,0,0]=4 945 B9R1.69 CC1=C(N)C=CC(Br)=N1 A15124 [1,1,0,0,0,0|2,0,0]=4 946 B9R1.69 CC1=C(N)C=CC(Cl)=N1 A15123 [1,1,0,0,0,0|2,0,0]=4 947 B9R1.69 CC1=C(N)N=C(Br)C=C1 B26268 [1,1,0,0,0,0|2,0,0]=4 948 B9R1.69 CC1=C(N)N=CC(Br)=N1 A37808 [1,1,0,0,0,0|1,0,0]=3 949 B9R1.69 CC1=C(O)C=CC(Br)=N1 B42888 [1,1,0,0,0,0|2,0,0]=4 950 B9R1.69 CC1=C(O)C=CC(Cl)=N1 C42909 [1,1,0,0,0,0|2,0,0]=4 951 B9R1.69 CC1=C(O)N=CC(Br)=N1 B37166 [1,1,0,0,0,0|1,0,0]=3 952 B9R1.69 CC1=CC(=O)NN=C1C D15899 [1,1,0,0,0,0|2,0,0]=4 953 B9R1.69 CC1=CC(Br)=CN=C1Br D1477 [1,1,0,0,0,0|2,0,0]=4 954 B9R1.69 CC1=CC(Br)=CN=C1C B46085 [1,1,0,0,0,0|1,0,0]=3 955 B9R1.69 CC1=CC(Br)=CN=C1Cl B22875 [1,1,0,0,0,0|2,0,0]=4 956 B9R1.69 CC1=CC(Br)=CN=C1F B2992 [1,1,0,0,0,0|2,0,0]=4 957 B9R1.69 CC1=CC(Br)=CN=C1N B42973 [1,1,0,0,0,0|2,0,0]=4 958 B9R1.69 CC1=CC(Cl)=CN=C1Br B8272 [1,1,0,0,0,0|2,0,0]=4 959 B9R1.69 CC1=CC(Cl)=CN=C1Cl D42560 [1,1,0,0,0,0|2,0,0]=4 960 B9R1.69 CC1=CC(Cl)=CN=C1N C42998 [1,1,0,0,0,0|2,0,0]=4 961 B9R1.69 CC1=CC(Cl)=CN=C1O C42905 [1,1,0,0,0,0|2,0,0]=4 962 B9R1.69 CC1=CC(F)=CN=C1Br B23405 [1,1,0,0,0,0|2,0,0]=4 963 B9R1.69 CC1=CC(F)=CN=C1Cl C42569 [1,1,0,0,0,0|2,0,0]=4 964 B9R1.69 CC1=CC(F)=CN=C1N F43018 [1,1,0,0,0,0|2,0,0]=4 965 B9R1.69 CC1=CC(I)=CN=C1Br B42556 [1,1,0,0,0,0|2,0,0]=4 966 B9R1.69 CC1=CC(I)=CN=C1Cl C42584 [1,1,0,0,0,0|2,0,0]=4 967 B9R1.69 CC1=CC(I)=CN=C1N K43024 [1,1,0,0,0,0|2,0,0]=4 968 B9R1.69 CC1=CC(I)=CN=C1O K42936 [1,1,0,0,0,0|2,0,0]=4 969 B9R1.69 CC1=CC(N)=CN=C1Br A42967 [1,1,0,0,0,0|2,0,0]=4 970 B9R1.69 CC1=CC(N)=CN=C1C D43613 [1,1,0,0,0,0|1,0,0]=3 971 B9R1.69 CC1=CC(N)=CN=C1Cl C23404 [1,1,0,0,0,0|2,0,0]=4 972 B9R1.69 CC1=CC(N)=CN=C1F F43017 [1,1,0,0,0,0|2,0,0]=4 973 B9R1.69 CC1=CC(O)=CN=C1Br B42893 [1,1,0,0,0,0|2,0,0]=4 974 B9R1.69 CC1=CC(O)=CN=C1Cl C15197 [1,1,0,0,0,0|2,0,0]=4 975 B9R1.69 CC1=CC(O)=CN=C1F F62152 [1,1,0,0,0,0|2,0,0]=4 976 B9R1.69 CC1=CC=C(C)C(N)=N1 D43611 [1,1,0,0,0,0|2,0,0]=4 977 B9R1.69 CC1=CC=C(Cl)N=C1Cl D24399 [1,1,0,0,0,0|2,0,0]=4 978 B9R1.69 CC1=CC=C(F)N=C1Br B17536 [1,1,0,0,0,0|2,0,0]=4 979 B9R1.69 CC1=CC=C(N)C(C)=N1 D43608 [1,1,0,0,0,0|2,0,0]=4 980 B9R1.69 CC1=CC=C(N)N=C1Br B26269 [1,1,0,0,0,0|2,0,0]=4 981 B9R1.69 CC1=CC=C(N)N=C1Cl C23697 [1,1,0,0,0,0|2,0,0]=4 982 B9R1.69 CC1=CC=C(N)N=C1N M43333 [1,1,0,0,0,0|2,0,0]=4 983 B9R1.69 CC1=CN=C(Br)C(C)=C1 B46080 [1,1,0,0,0,0|2,0,0]=4 984 B9R1.69 CC1=CN=C(C)C(C)=C1 T39433 [1,1,0,0,0,0|1,0,0]=3 985 B9R1.69 CC1=CN=C(C)C(Cl)=N1 C42989 [1,1,0,0,0,0|1,0,0]=3 986 B9R1.69 CC1=CN=C(C)C(I)=N1 K43021 [1,1,0,0,0,0|1,0,0]=3 987 B9R1.69 CC1=CN=C(C)C(N)=N1 D32397 [1,1,0,0,0,0|1,0,0]=3 988 B9R1.69 CC1=CN=C(Cl)C(C)=N1 C42988 [1,1,0,0,0,0|1,0,0]=3 989 B9R1.69 CC1=CN=C(Cl)C(Cl)=N1 D40725 [1,1,0,0,0,0|2,0,0]=4 990 B9R1.69 CC1=CN=C(Cl)C(N)=N1 C39122 [1,1,0,0,0,0|2,0,0]=4 991 B9R1.69 CC1=CN=C(I)C(C)=N1 K63360 [1,1,0,0,0,0|1,0,0]=3 992 B9R1.69 CC1=CN=C(N)C(Br)=N1 B41061 [1,1,0,0,0,0|2,0,0]=4 993 B9R1.69 CC1=CN=C(N)C(C)=C1 D43610 [1,1,0,0,0,0|2,0,0]=4 994 B9R1.69 CC1=CN=C(N)C(Cl)=N1 C41076 [1,1,0,0,0,0|2,0,0]=4 995 B9R1.69 CC1=CNC(=O)C(C)=N1 D69506 [1,1,0,0,0,0|1,0,1]=4 996 B9R1.69 CC1=NC(C)=C(Br)C=C1 B46082 [1,1,0,0,0,0|2,0,0]=4 997 B9R1.69 CC1=NC(C)=C(O)C=C1 D67987 [1,1,0,0,0,0|2,0,0]=4 998 B9R1.69 CC1=NC(N)=CN=C1Br B41062 [1,1,0,0,0,0|1,0,0]=3 999 B9R1.69 CC1=NC(N)=CN=C1Cl C23741 [1,1,0,0,0,0|1,0,0]=3 1000 B9R1.69 CC1=NC=C(Br)C=C1Cl B8062 [1,1,0,0,0,0|2,0,0]=4 1001 B9R1.69 CC1=NC=C(Br)C=C1F B16887 [1,1,0,0,0,0|2,0,0]=4 1002 B9R1.69 CC1=NC=C(Br)C=C1N A0082 [1,1,0,0,0,0|2,0,0]=4 1003 B9R1.69 CC1=NC=C(Br)C=C1O B42885 [1,1,0,0,0,0|2,0,0]=4 1004 B9R1.69 CC1=NC=C(Cl)C=C1N A1755 [1,1,0,0,0,0|2,0,0]=4 1005 B9R1.69 CC1=NC=C(N)N=C1Br B41063 [1,1,0,0,0,0|1,0,0]=3 1006 B9R1.69 ClC1=CN=C(Br)C(Cl)=N1 B40275 [1,1,0,0,0,0|2,0,0]=4 1007 B9R1.69 ClC1=CN=C(Cl)C(Cl)=N1 T40281 [1,1,0,0,0,0|2,0,0]=4 1008 B9R1.69 ClC1=CN=C(I)C(Cl)=N1 D32285 [1,1,0,0,0,0|2,0,0]=4 1009 B9R1.69 ClC1=NC(Br)=CN=C1Br D63358 [1,1,0,0,0,0|2,0,0]=4 1010 B9R1.69 ClC1=NC=C(Br)N=C1Br D9770 [1,1,0,0,0,0|2,0,0]=4 1011 B9R1.69 NC1=C(Cl)N=C(Br)C=N1 A0343 [1,1,0,0,0,0|2,0,0]=4 1012 B9R1.69 NC1=C(Cl)N=C(I)C=N1 A11542 [1,1,0,0,0,0|2,0,0]=4 1013 B9R1.69 NC1=C(Cl)N=CC(Br)=N1 B9774 [1,1,0,0,0,0|2,0,0]=4 1014 B9R1.69 NC1=C(N)N=C(Br)C=N1 B9793 [1,1,0,0,0,0|2,0,0]=4 1015 B9R1.69 NC1=C(N)N=C(Cl)C=N1 C40148 [1,1,0,0,0,0|2,0,0]=4 1016 B9R1.69 NC1=CN=C(Br)C(Br)=N1 D40046 [1,1,0,0,0,0|2,0,0]=4 1017 B9R1.69 NC1=CN=C(Br)C(Cl)=N1 A11540 [1,1,0,0,0,0|2,0,0]=4 1018 B9R1.69 NC1=CN=C(Cl)C(Br)=N1 B32312 [1,1,0,0,0,0|2,0,0]=4 1019 B9R1.69 NC1=CN=C(I)C(Cl)=N1 C61833 [1,1,0,0,0,0|2,0,0]=4 1020 B9R1.69 NC1=NC(Br)=CN=C1Br D0685 [1,1,0,0,0,0|2,0,0]=4 1021 B9R1.69 NC1=NC(Cl)=CN=C1Br A11539 [1,1,0,0,0,0|2,0,0]=4 1022 B9R1.69 NC1=NC(Cl)=CN=C1Cl D40048 [1,1,0,0,0,0|2,0,0]=4 1023 B9R1.69 NC1=NC=C(Br)N=C1Br A9691 [1,1,0,0,0,0|2,0,0]=4 1024 B9R1.69 NC1=NC=C(Br)N=C1I B37564 [1,1,0,0,0,0|2,0,0]=4 1025 B9R1.69 NC1=NC=C(Cl)N=C1Br B25290 [1,1,0,0,0,0|2,0,0]=4 1026 B9R1.69 NC1=NC=C(Cl)N=C1Cl A38575 [1,1,0,0,0,0|2,0,0]=4 1027 B9R1.69 OC1=NC=C(Br)N=C1Br D39990 [1,1,0,0,0,0|2,0,0]=4 1028 B9R1.14 CCN1C=CN=C1C=O E43212 [0,1,0,0,1,0|1,0,1]=4 1029 B9R1.22 CC1=NC(C)=C(CO)S1 D43393 [0,1,0,0,1,0|2,0,0]=4 1030 B9R1.22 CC1=NN(C)C(CCl)=C1 C1040 [0,1,0,0,1,0|2,0,0]=4 1031 B9R1.22 CC1=NN(C)C(CO)=C1 D3957 [0,1,0,0,1,0|2,0,0]=4 1032 B9R1.22 CC1=NN(C)C=C1CN D23506 [0,1,0,0,1,0|2,0,0]=4 1033 B9R1.27 CC1=NOC(C)=C1CCl C43298 [0,1,0,0,1,0|2,0,0]=4 1034 B9R1.27 CC1=NOC(C)=C1CN D41432 [0,1,0,0,1,0|2,0,0]=4 1035 B9R1.27 CCN1C(=O)NN=C1C E41250 [0,1,0,0,1,0|2,0,0]=4 1036 B9R1.33 CC1=C(CCN)SC=N1 M3229 [0,1,0,0,1,0|1,0,0]=3 1037 B9R1.33 CC1=C(CCO)N=CS1 M43392 [0,1,0,0,1,0|1,0,0]=3 1038 B9R1.33 CC1=C(CCO)SC=N1 M68882 [0,1,0,0,1,0|1,0,0]=3 1039 B9R1.33 CC1=NC=CN1CCN M43556 [0,1,0,0,1,0|1,0,0]=3 1040 B9R1.33 CCOC1=C(C)N=CO1 E43381 [0,1,0,0,1,0|1,0,0]=3 1041 B9R1.33 NC1=CC=NN1CCO A41249 [0,1,0,0,1,0|2,0,0]=4 1042 B9R1.41 CC(=O)C1=C(C)N=CS1 M63978 [0,1,0,0,1,0|1,0,1]=4 1043 B9R1.41 CC(=O)C1=C(C)SC=N1 M43176 [0,1,0,0,1,0|1,0,1]=4 1044 B9R1.41 CC(=O)C1=NC=CN1C A1591 [0,1,0,0,1,0|1,0,1]=4 1045 B9R1.132 CC[N+]1=C(C)N(C)C=C1 E46613 [0,1,0,0,1,0|1,0,1]=4 1046 B9R1.132 CC[N+]1=C(C)N(C)C=C1 E46616 [0,1,0,0,1,0|1,0,1]=4 1047 B9R1.132 CC[N+]1=C(C)N(C)C=C1 E46619 [0,1,0,0,1,0|1,0,1]=4 1048 B9R1.132 CN1C(Cl)=CN=C1CO C41136 [0,1,0,0,1,0|2,0,0]=4 1049 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 P69106 [0,2,0,0,0,0|2,0,0]=4 1050 B11R1.265 COC1=C(OC)C(C)=NC=C1 D46919 [0,2,0,0,0,0|2,0,0]=4 1051 B11R1.267 COC1=C(C)C(CO)=NC=C1 M46930 [0,2,0,0,0,0|2,0,0]=4 1052 B11R1.278 CC1=CN=C(CO)C(C)=C1Cl C46805 [0,2,0,0,0,0|2,0,0]=4 1053 B11R1.278 COC1=NC=C(C)C(Br)=C1C B37690 [0,2,0,0,0,0|2,0,0]=4 1054 B11R1.17 CC1=C(NCCO)C=CC=C1 H50355 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.17 CC1=C(OCCN)C=CC=C1 M50346 [0,2,0,0,0,0|2,0,0]=4 1056 B11R1.41 CCNC1=C(C#N)C=CC=N1 E49201 [0,2,0,0,0,0|1,0,1]=4 1057 B11R1.41 CNCC1=C(OC)C=CC=C1 M50356 [0,2,0,0,0,0|2,0,0]=4 1058 B11R1.41 COC1=C(CCBr)C=CC=C1 B50155 [0,2,0,0,0,0|2,0,0]=4 1059 B11R1.41 COC1=C(CCN)C=CC=C1 M66296 [0,2,0,0,0,0|2,0,0]=4 1060 B11R1.41 COC1=C(CCO)C=CC=C1 M50284 [0,2,0,0,0,0|2,0,0]=4 1061 B11R1.81 CCOC1=C(Br)C=C(C)C=N1 B64110 [0,2,0,0,0,0|2,0,0]=4 1062 B11R1.81 CCOC1=C(C)N=C(N)C=C1 E46978 [0,2,0,0,0,0|1,0,0]=3 1063 B11R1.81 CCOC1=C(F)C=C(N)C=N1 E46335 [0,2,0,0,0,0|2,0,0]=4 1064 B11R1.81 CCOC1=NC=C(Br)C=C1N B46321 [0,2,0,0,0,0|2,0,0]=4 1065 B11R1.86 CC(C)NC1=NC=CC=C1N P47054 [0,2,0,0,0,0|2,0,0]=4 1066 B11R1.86 CC(C)OC1=C(Br)C=CC=N1 B46784 [0,2,0,0,0,0|2,0,0]=4 1067 B11R1.86 CC1=NC=CN=C1CC(C)C B50395 [0,2,0,0,0,0|0,0,0]=2 1068 B11R1.86 O=C(O)CC1=NC=CN=C1Cl C14611 [0,2,0,0,0,0|1,0,1]=4 1069 B11R1.86 O=C([O-])CC1=NC=CN=C1Cl S27650 [0,2,0,0,0,0|1,0,1]=4 1070 B11R1.182 CCOC1=C(C)C=CC(Br)=C1 B50153 [0,2,0,0,0,0|2,0,0]=4 1071 B11R1.182 CCOC1=C(N)N=CC(Br)=N1 A69486 [0,2,0,0,0,0|1,0,0]=3 1072 B11R1.222 CC1=C([C@H](C)C#N)C=CC=C1 T52504 [0,2,0,0,0,0|2,0,0]=4 1073 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 M52778 [0,2,0,0,0,0|2,0,0]=4 1074 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [0,2,0,0,0,0|2,0,0]=4 1075 B11R1.222 COC(=O)C1=C(C)N=CC=C1 M11023 [0,2,0,0,0,0|1,0,1]=4 1076 B11R1.222 COC(=O)C1=NC=CC=C1C M24449 [0,2,0,0,0,0|1,0,1]=4 1077 B11R1.222 COC(=O)C1=NC=CN=C1Br B12295 [0,2,0,0,0,0|1,0,1]=4 1078 B11R1.222 COC(=O)C1=NC=CN=C1C M23587 [0,2,0,0,0,0|0,0,1]=3 1079 B11R1.222 COC(=O)C1=NC=CN=C1Cl C0683 [0,2,0,0,0,0|1,0,1]=4 1080 B11R1.222 COC(=O)C1=NC=CN=C1I M37787 [0,2,0,0,0,0|1,0,1]=4 1081 B11R1.222 COC(=O)C1=NC=CN=C1N M20687 [0,2,0,0,0,0|1,0,1]=4 1082 B11R1.222 COC(=O)C1=NC=CN=C1O M42789 [0,2,0,0,0,0|1,0,1]=4 1083 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 B50154 [0,2,0,0,0,0|2,0,0]=4 1084 B11R1.37 CCC1=NC=C(C)N=C1CC D50396 [0,2,0,0,0,0|0,0,0]=2 1085 B11R1.37 COC1=C(CBr)C=CC(Br)=N1 B45872 [0,2,0,0,0,0|2,0,0]=4 1086 B11R1.37 COC1=C(CN)C=CC(Br)=N1 B46323 [0,2,0,0,0,0|2,0,0]=4 1087 B11R1.37 COC1=C(CN)C=CC(Br)=N1 B46325 [0,2,0,0,0,0|2,0,0]=4 1088 B11R1.37 COC1=C(CO)C=CC(Br)=N1 B46129 [0,2,0,0,0,0|2,0,0]=4 1089 B11R1.37 COC1=C(OC)N=C(Br)C=N1 B43030 [0,2,0,0,0,0|1,0,0]=3 1090 B11R1.37 COC1=C(OC)N=C(I)C=C1 K62513 [0,2,0,0,0,0|2,0,0]=4 1091 B11R1.37 COC1=CC(Br)=CN=C1OC B46127 [0,2,0,0,0,0|2,0,0]=4 1092 B11R1.37 COC1=CC(C)=CN=C1OC D46918 [0,2,0,0,0,0|2,0,0]=4 1093 B11R1.37 COC1=CC=C(N)N=C1OC D43649 [0,2,0,0,0,0|2,0,0]=4 1094 B11R1.37 COC1=NC(N)=CN=C1C#N A63896 [0,2,0,0,0,0|1,0,1]=4 1095 B11R1.37 COC1=NC=C(Br)C=C1CN A10481 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.37 COC1=NC=C(Br)C=C1CO B12770 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.37 COC1=NC=C(F)C=C1CO F32261 [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 B11974 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.53 CCC1=C(B(O)O)C=CC=N1 E43700 [0,2,0,0,0,0|2,0,0]=4 1100 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 E49269 [0,2,0,0,0,0|1,0,1]=4 1101 B11R1.53 CCC1=NC=CN=C1C(C)=O E46656 [0,2,0,0,0,0|0,0,0]=2 1102 B11R1.53 COC1=C(C(C)=O)C=CC=N1 M49287 [0,2,0,0,0,0|1,0,1]=4 1103 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 M50344 [0,2,0,0,0,0|2,0,0]=4 1104 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 M60510 [0,2,0,0,0,0|2,0,0]=4 1105 B11R1.53 COC1=CC=CN=C1C(C)=O M27805 [0,2,0,0,0,0|1,0,1]=4 1106 B11R1.53 COC1=NC=CN=C1C(=O)O M42787 [0,2,0,0,0,0|1,0,1]=4 1107 B11R1.53 OCC1=CC=CN=C1C(F)F D45888 [0,2,0,0,0,0|2,0,0]=4 1108 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C B37444 [0,2,0,0,0,0|1,0,1]=4 1109 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 D54187 [0,2,0,0,0,0|2,0,0]=4 1110 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 D46013 [0,2,0,0,0,0|1,0,1]=4 1111 B11R1.166 C[C@H](O)C1=CC=C(Cl)N=C1Cl D63331 [0,2,0,0,0,0|2,0,0]=4 1112 B11R1.277 CC1=NC(C)=C(C)N=C1CO T28640 [0,2,0,0,0,0|1,0,0]=3 1113 B11R1.277 CCC1=NC(C)=C(C)N=C1C E50397 [0,2,0,0,0,0|0,0,0]=2 1114 B11R1.464 COC1=C(C)N=C(Cl)C=C1Cl D15350 [0,2,0,0,0,0|2,0,0]=4 1115 B11R1.167 CC(=O)C1=CC(Br)=CN=C1C B49027 [0,2,0,0,0,0|1,0,1]=4 1116 B11R1.167 CC1=C([C@H](C)O)C=C(Cl)C=C1 C50163 [0,2,0,0,0,0|2,0,0]=4 1117 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 D46014 [0,2,0,0,0,0|1,0,1]=4 1118 B11R1.87 CC(C)(O)C1=C(Br)C=CC=N1 B37253 [0,2,0,0,0,0|2,0,0]=4 1119 B11R1.87 FC(F)(F)C1=NC=CN=C1Cl C40455 [0,2,0,0,0,0|2,0,0]=4 1120 B11R1.87 NC1=NC=CN=C1C(F)(F)F T40788 [0,2,0,0,0,0|2,0,0]=4 1121 B11R1.156 CC1=CC=CC(C)=C1[C@@H](C)N D54186 [0,2,0,0,0,0|2,0,0]=4 1122 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N D54188 [0,2,0,0,0,0|2,0,0]=4 1123 B9R1.11 CCC(=O)C1=NC=CS1 T43174 [0,0,1,1,0,0|2,0,0]=4 1124 B9R1.21 CCC1=CSC(C=O)=N1 E43175 [0,0,1,1,0,0|2,0,0]=4 1125 B9R2.50 C1=CC2=C(C=C1)CC2 B68912 [1,0,0,1,0,0|2,0,0]=4 1126 B9R2.3 C1=CN2CCCC2=N1 D63557 [0,0,0,1,1,0|1,0,0]=3 1127 B9R2.3 C1=NN2CCCC2=C1 D16430 [0,0,0,1,1,0|1,0,0]=3 1128 B9R2.3 C1=NNC2=C1CCC2 C15794 [0,0,0,1,1,0|1,0,1]=4 1129 B11R2.106 BrC1=C2CCCC2=CC=C1 B10979 [0,1,0,1,0,0|2,0,0]=4 1130 B11R2.106 BrC1=C2CCNC2=NC=C1 B19352 [0,1,0,1,0,0|2,0,0]=4 1131 B11R2.106 CC1=C2CCCC2=CC=C1 M52674 [0,1,0,1,0,0|2,0,0]=4 1132 B11R2.106 ClC1=C2CCCC2=NC=C1 C48883 [0,1,0,1,0,0|1,0,0]=3 1133 B11R2.106 ClC1=C2CCNC2=NC=C1 C30162 [0,1,0,1,0,0|2,0,0]=4 1134 B11R2.106 ClC1=NC=CC2=C1CCN2 C14624 [0,1,0,1,0,0|2,0,0]=4 1135 B11R2.106 ClC1=NC=CC2=C1CCN2 C5708 [0,1,0,1,0,0|2,0,0]=4 1136 B11R2.106 ClC1=NC=NC2=C1CCC2 C13916 [0,1,0,1,0,0|2,0,0]=4 1137 B11R2.106 FC1=C2CCOC2=NC=C1 F30045 [0,1,0,1,0,0|2,0,0]=4 1138 B11R2.106 IC1=C2CCCC2=CC=C1 K51671 [0,1,0,1,0,0|2,0,0]=4 1139 B11R2.106 O=C1NC=NC2=C1CCC2 T14805 [0,1,0,1,0,0|2,0,0]=4 1140 B11R2.106 OC1=C2CCCC2=CC=C1 K49868 [0,1,0,1,0,0|2,0,0]=4 1141 B11R2.106 OC1=C2CCNC2=NC=C1 D62930 [0,1,0,1,0,0|2,0,0]=4 1142 B11R2.10 BrC1CC2=C(C=CC=C2)C1 B51667 [0,1,0,1,0,0|2,0,0]=4 1143 B11R2.10 CC1=CC2=NC=CN=C2N1 M60205 [0,1,0,1,0,0|0,0,2]=4 1144 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M13896 [0,1,0,1,0,0|2,0,0]=4 1145 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M15830 [0,1,0,1,0,0|2,0,0]=4 1146 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 D64809 [0,1,0,1,0,0|1,0,0]=3 1147 B11R2.10 OC1CC2=C(C=CC=C2)C1 D67665 [0,1,0,1,0,0|2,0,0]=4 1148 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [0,1,0,1,0,0|2,0,0]=4 1149 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [0,1,0,1,0,0|2,0,0]=4 1150 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [0,1,0,1,0,0|2,0,0]=4 1151 B11R2.20 C1=CC2=C(N=C1)NCCO2 D45987 [0,1,0,1,0,0|2,0,0]=4 1152 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [0,1,0,1,0,0|1,0,0]=3 1153 B11R2.20 C1=CN=C2CCCCC2=N1 T39429 [0,1,0,1,0,0|0,0,0]=2 1154 B11R2.20 C1=CN=C2CCCNC2=C1 T32362 [0,1,0,1,0,0|1,0,0]=3 1155 B11R2.20 C1=CN=C2CCNCC2=C1 T23208 [0,1,0,1,0,0|1,0,0]=3 1156 B11R2.20 C1=CN=C2CCNCC2=C1 T4076 [0,1,0,1,0,0|1,0,0]=3 1157 B11R2.20 C1=CN=C2CCNCC2=C1 T5331 [0,1,0,1,0,0|1,0,0]=3 1158 B11R2.20 C1=CN=C2CNCCC2=C1 T13476 [0,1,0,1,0,0|1,0,0]=3 1159 B11R2.20 C1=CN=C2CNCCC2=C1 T18760 [0,1,0,1,0,0|1,0,0]=3 1160 B11R2.20 C1=CN=C2CNCCC2=C1 T23221 [0,1,0,1,0,0|1,0,0]=3 1161 B11R2.20 C1=CN=C2NCCCC2=C1 T37326 [0,1,0,1,0,0|1,0,0]=3 1162 B11R2.20 C1=CN=C2NCCNC2=C1 T46338 [0,1,0,1,0,0|2,0,0]=4 1163 B11R2.20 C1=CN=C2OCCNC2=C1 D13943 [0,1,0,1,0,0|2,0,0]=4 1164 B11R2.20 C1=CN=C2OCCOC2=C1 D32153 [0,1,0,1,0,0|2,0,0]=4 1165 B11R2.20 C1=NC=C2CCNCC2=N1 T11295 [0,1,0,1,0,0|2,0,0]=4 1166 B11R2.20 C1=NC=C2CNCCC2=N1 T11293 [0,1,0,1,0,0|2,0,0]=4 1167 B11R2.20 C1=NC=C2CNCCC2=N1 T1801 [0,1,0,1,0,0|2,0,0]=4 1168 B11R2.20 C1=NC=C2CNCCC2=N1 T5337 [0,1,0,1,0,0|2,0,0]=4 1169 B11R2.55 BrC1=C(C2CC2)N=CC=C1 B48876 [0,1,0,1,0,0|2,0,0]=4 1170 B11R2.55 BrC1=NC=CC=C1C2CC2 B48874 [0,1,0,1,0,0|2,0,0]=4 1171 B11R2.55 ClC1=NC=CC=C1C2CC2 C48880 [0,1,0,1,0,0|2,0,0]=4 1172 B11R2.55 FC1=NC=CC=C1C2CC2 C48886 [0,1,0,1,0,0|2,0,0]=4 1173 B11R2.55 NC1=NC=CC=C1C2CC2 C46639 [0,1,0,1,0,0|2,0,0]=4 1174 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [0,1,0,1,0,0|2,0,0]=4 1175 B11R2.1 CC1=NNC2=NC=CN=C12 M1752 [0,1,0,1,0,0|1,0,1]=4 1176 B11R2.1 C[C@H]1CCC2=NC=CN=C21 M46644 [0,1,0,1,0,0|0,0,0]=2 1177 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [0,1,0,1,0,0|2,0,0]=4 1178 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [0,1,0,1,0,0|2,0,0]=4 1179 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [0,1,0,1,0,0|2,0,0]=4 1180 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D49490 [0,1,0,1,0,0|1,0,0]=3 1181 B11R2.1 N[C@H]1COC2=NC=CC=C21 D64566 [0,1,0,1,0,0|2,0,0]=4 1182 B11R2.1 O=C1CCC2=C1C=CC=N2 D5364 [0,1,0,1,0,0|1,0,1]=4 1183 B11R2.1 O=C1CCC2=CC=CN=C12 C48452 [0,1,0,1,0,0|1,0,1]=4 1184 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [0,1,0,1,0,0|2,0,0]=4 1185 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [0,1,0,1,0,0|2,0,0]=4 1186 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [0,1,0,1,0,0|2,0,0]=4 1187 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D67550 [0,1,0,1,0,0|1,0,0]=3 1188 B11R2.36 BrC1=CN=C2CNCC2=C1 B11679 [0,1,0,1,0,0|2,0,0]=4 1189 B11R2.36 BrC1=CN=C2CNCC2=C1 B11680 [0,1,0,1,0,0|2,0,0]=4 1190 B11R2.36 BrC1=CN=C2NCCC2=C1 B12242 [0,1,0,1,0,0|2,0,0]=4 1191 B11R2.36 BrC1=CN=C2NCCC2=C1 B30154 [0,1,0,1,0,0|2,0,0]=4 1192 B11R2.36 BrC1=NC2=C(C=C1)NCC2 B45617 [0,1,0,1,0,0|2,0,0]=4 1193 B11R2.36 ClC1=CN=C2NCCC2=C1 C45621 [0,1,0,1,0,0|2,0,0]=4 1194 B11R2.36 ClC1=NC2=C(C=C1)CCC2 C48882 [0,1,0,1,0,0|1,0,0]=3 1195 B11R2.36 ClC1=NC2=C(C=C1)CNC2 C25491 [0,1,0,1,0,0|2,0,0]=4 1196 B11R2.36 ClC1=NC2=C(C=N1)CCC2 C37147 [0,1,0,1,0,0|2,0,0]=4 1197 B11R2.36 FC1=CC2=C(C=C1)CCC2 F51669 [0,1,0,1,0,0|2,0,0]=4 1198 B11R2.36 FC1=CN=C2CNCC2=C1 F18831 [0,1,0,1,0,0|2,0,0]=4 1199 B11R2.36 IC1=CC2=C(C=C1)CCC2 K64448 [0,1,0,1,0,0|2,0,0]=4 1200 B7R1.1 BrCC1=CSC=C1 B60823 [1,0,0,0,1,0|2,0,0]=4 1201 B7R1.1 BrCC1=NC=CN1 B40117 [1,0,0,0,1,0|1,0,1]=4 1202 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,0,1,0|0,0,1]=3 1203 B7R1.1 CCC1=NN=CO1 E37555 [1,0,0,0,1,0|2,0,0]=4 1204 B7R1.1 CCN1C=CN=N1 E40219 [1,0,0,0,1,0|2,0,0]=4 1205 B7R1.1 CCN1C=NC=N1 E40218 [1,0,0,0,1,0|1,0,0]=3 1206 B7R1.1 CNC1=NC=CS1 M67793 [1,0,0,0,1,0|2,0,0]=4 1207 B7R1.1 CNC1=NC=NS1 M32356 [1,0,0,0,1,0|2,0,0]=4 1208 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,0,1,0|2,0,0]=4 1209 B7R1.1 COC1=CNN=C1 M20056 [1,0,0,0,1,0|2,0,0]=4 1210 B7R1.1 COC1=CSC=C1 M41124 [1,0,0,0,1,0|2,0,0]=4 1211 B7R1.1 COC1=NC=CS1 M2608 [1,0,0,0,1,0|2,0,0]=4 1212 B7R1.1 CSC1=NC=CO1 M40164 [1,0,0,0,1,0|2,0,0]=4 1213 B7R1.1 ClCC1=CN=CS1 C32421 [1,0,0,0,1,0|2,0,0]=4 1214 B7R1.1 ClCC1=CNC=N1 C2088 [1,0,0,0,1,0|1,0,1]=4 1215 B7R1.1 ClCC1=CSC=N1 C2334 [1,0,0,0,1,0|2,0,0]=4 1216 B7R1.1 ClCC1=NC=CO1 C40107 [1,0,0,0,1,0|2,0,0]=4 1217 B7R1.1 ClCC1=NOC=N1 C24041 [1,0,0,0,1,0|2,0,0]=4 1218 B7R1.1 NCC1=CC=CN1 P41359 [1,0,0,0,1,0|1,0,1]=4 1219 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,0,1,0|2,0,0]=4 1220 B7R1.1 NCC1=CC=NO1 K40323 [1,0,0,0,1,0|2,0,0]=4 1221 B7R1.1 NCC1=CN=CN1 A69377 [1,0,0,0,1,0|1,0,1]=4 1222 B7R1.1 NCC1=CN=CO1 X11178 [1,0,0,0,1,0|2,0,0]=4 1223 B7R1.1 NCC1=CN=CO1 X17340 [1,0,0,0,1,0|2,0,0]=4 1224 B7R1.1 NCC1=CN=CS1 T11225 [1,0,0,0,1,0|2,0,0]=4 1225 B7R1.1 NCC1=CN=CS1 T37607 [1,0,0,0,1,0|2,0,0]=4 1226 B7R1.1 NCC1=CN=CS1 T40190 [1,0,0,0,1,0|2,0,0]=4 1227 B7R1.1 NCC1=CNC=C1 P26218 [1,0,0,0,1,0|1,0,1]=4 1228 B7R1.1 NCC1=CNC=N1 K40332 [1,0,0,0,1,0|1,0,1]=4 1229 B7R1.1 NCC1=CNN=C1 A10475 [1,0,0,0,1,0|2,0,0]=4 1230 B7R1.1 NCC1=CNN=C1 P17334 [1,0,0,0,1,0|2,0,0]=4 1231 B7R1.1 NCC1=CNN=C1 P20267 [1,0,0,0,1,0|2,0,0]=4 1232 B7R1.1 NCC1=COC=N1 A40322 [1,0,0,0,1,0|2,0,0]=4 1233 B7R1.1 NCC1=COC=N1 O7924 [1,0,0,0,1,0|2,0,0]=4 1234 B7R1.1 NCC1=COC=N1 X11296 [1,0,0,0,1,0|2,0,0]=4 1235 B7R1.1 NCC1=CON=C1 A14706 [1,0,0,0,1,0|2,0,0]=4 1236 B7R1.1 NCC1=CON=C1 I29534 [1,0,0,0,1,0|2,0,0]=4 1237 B7R1.1 NCC1=CSC=C1 T41357 [1,0,0,0,1,0|2,0,0]=4 1238 B7R1.1 NCC1=CSC=N1 T13924 [1,0,0,0,1,0|2,0,0]=4 1239 B7R1.1 NCC1=CSC=N1 T29521 [1,0,0,0,1,0|2,0,0]=4 1240 B7R1.1 NCC1=NC=CN1 A14237 [1,0,0,0,1,0|1,0,1]=4 1241 B7R1.1 NCC1=NC=CN1 K40331 [1,0,0,0,1,0|1,0,1]=4 1242 B7R1.1 NCC1=NC=CS1 A11223 [1,0,0,0,1,0|2,0,0]=4 1243 B7R1.1 NCC1=NC=CS1 T11224 [1,0,0,0,1,0|2,0,0]=4 1244 B7R1.1 NCC1=NC=CS1 T24256 [1,0,0,0,1,0|2,0,0]=4 1245 B7R1.1 NCC1=NNC=C1 P9792 [1,0,0,0,1,0|2,0,0]=4 1246 B7R1.1 NCC1=NOC=C1 I29536 [1,0,0,0,1,0|2,0,0]=4 1247 B7R1.1 NCC1=NOC=C1 I7943 [1,0,0,0,1,0|2,0,0]=4 1248 B7R1.1 NCC1=NSC=C1 I15218 [1,0,0,0,1,0|2,0,0]=4 1249 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,0,1,0|2,0,0]=4 1250 B7R1.1 OCC1=CC=NO1 K40159 [1,0,0,0,1,0|2,0,0]=4 1251 B7R1.1 OCC1=CN=CN1 I14077 [1,0,0,0,1,0|1,0,1]=4 1252 B7R1.1 OCC1=CN=CO1 X14033 [1,0,0,0,1,0|2,0,0]=4 1253 B7R1.1 OCC1=CN=CS1 T2166 [1,0,0,0,1,0|2,0,0]=4 1254 B7R1.1 OCC1=CNC=N1 H2067 [1,0,0,0,1,0|1,0,1]=4 1255 B7R1.1 OCC1=CNN=C1 H1729 [1,0,0,0,1,0|2,0,0]=4 1256 B7R1.1 OCC1=COC=C1 F41115 [1,0,0,0,1,0|2,0,0]=4 1257 B7R1.1 OCC1=COC=N1 O7923 [1,0,0,0,1,0|2,0,0]=4 1258 B7R1.1 OCC1=CON=C1 H14705 [1,0,0,0,1,0|2,0,0]=4 1259 B7R1.1 OCC1=CSC=C1 T12827 [1,0,0,0,1,0|2,0,0]=4 1260 B7R1.1 OCC1=CSC=N1 T2165 [1,0,0,0,1,0|2,0,0]=4 1261 B7R1.1 OCC1=NC=CN1 I38716 [1,0,0,0,1,0|1,0,1]=4 1262 B7R1.1 OCC1=NC=CO1 X14019 [1,0,0,0,1,0|2,0,0]=4 1263 B7R1.1 OCC1=NC=CS1 H3028 [1,0,0,0,1,0|2,0,0]=4 1264 B7R1.1 OCC1=NC=NN1 T39912 [1,0,0,0,1,0|2,0,0]=4 1265 B7R1.1 OCC1=NNC=C1 H7696 [1,0,0,0,1,0|2,0,0]=4 1266 B7R1.1 OCC1=NOC=C1 I11321 [1,0,0,0,1,0|2,0,0]=4 1267 B7R1.1 OCN1C=CC=N1 P9800 [1,0,0,0,1,0|2,0,0]=4 1268 B7R1.1 OCN1C=NC=N1 T39855 [1,0,0,0,1,0|2,0,0]=4 1269 B7R1.4 CC1=C(Br)N=CS1 B61015 [1,0,0,0,1,0|2,0,0]=4 1270 B7R1.4 CC1=C(Br)NC=N1 B40116 [1,0,0,0,1,0|1,0,1]=4 1271 B7R1.4 CC1=C(Br)SC=C1 B12699 [1,0,0,0,1,0|2,0,0]=4 1272 B7R1.4 CC1=C(Br)SC=N1 B5072 [1,0,0,0,1,0|2,0,0]=4 1273 B7R1.4 CC1=C(C)NC=N1 D41358 [1,0,0,0,1,0|0,0,1]=3 1274 B7R1.4 CC1=C(C)NC=N1 D43581 [1,0,0,0,1,0|0,0,1]=3 1275 B7R1.4 CC1=C(C)SC=N1 D41175 [1,0,0,0,1,0|1,0,0]=3 1276 B7R1.4 CC1=C(Cl)SC=C1 C39173 [1,0,0,0,1,0|2,0,0]=4 1277 B7R1.4 CC1=C(I)NC=N1 K40125 [1,0,0,0,1,0|1,0,1]=4 1278 B7R1.4 CC1=CC=NN1C D3267 [1,0,0,0,1,0|1,0,0]=3 1279 B7R1.4 CC1=CNC=C1C D12050 [1,0,0,0,1,0|2,0,0]=4 1280 B7R1.4 CC1=CNN=C1Br B10968 [1,0,0,0,1,0|2,0,0]=4 1281 B7R1.4 CC1=CNN=C1C D22811 [1,0,0,0,1,0|1,0,0]=3 1282 B7R1.4 CC1=CNN=C1C D60965 [1,0,0,0,1,0|1,0,0]=3 1283 B7R1.4 CC1=NNC=C1I K40121 [1,0,0,0,1,0|2,0,0]=4 1284 B7R1.4 CC1=NOC=C1N M38991 [1,0,0,0,1,0|2,0,0]=4 1285 B7R1.4 CC1=NON=C1N M61679 [1,0,0,0,1,0|2,0,0]=4 1286 B7R1.4 CN1C=CN=C1Br B9674 [1,0,0,0,1,0|2,0,0]=4 1287 B7R1.4 CN1C=CN=C1Cl C3018 [1,0,0,0,1,0|2,0,0]=4 1288 B7R1.4 CN1C=CN=C1I I2903 [1,0,0,0,1,0|2,0,0]=4 1289 B7R1.4 CN1C=CN=C1N M40330 [1,0,0,0,1,0|2,0,0]=4 1290 B7R1.4 CN1C=CN=C1N M67646 [1,0,0,0,1,0|2,0,0]=4 1291 B7R1.4 CN1N=CC=C1I M9757 [1,0,0,0,1,0|2,0,0]=4 1292 B7R1.4 CN1N=CC=C1N M12745 [1,0,0,0,1,0|2,0,0]=4 1293 B7R1.4 CN1N=CC=C1O M23117 [1,0,0,0,1,0|2,0,0]=4 1294 B7R1.4 CN1N=CN=C1Br B21698 [1,0,0,0,1,0|2,0,0]=4