0 B8R1.2 BrCC1=CN=CN=C1 F52462 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 BrCC1=NC=CC=N1 D79434 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 C=CC1=CC=CN=C1 71366 [0,0,0,0,0,0|1,0,2]=3 3 B8R1.2 C=CC1=NC=CN=C1 T72447 [0,0,0,0,0,0|0,0,2]=2 4 B8R1.2 CNC1=CC=CN=N1 79165 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 CSC1=NC=CC=N1 O10841 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 ClCC1=NC=NC=C1 A10562 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 NCC1=CC=CC=C1 T70846 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 NNC1=CC=CN=N1 C15759 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.2 NNC1=NC=NC=C1 57488 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.2 SCC1=NC=CN=C1 78318 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.3 ClC1=CN=NC=C1 F19795 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.3 ClC1=NC=CC=N1 F20795 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.3 ClC1=NC=NC=C1 F18311 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.3 FC1=CN=CN=C1 F14737 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.3 IC1=NC=NC=C1 C15557 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.3 O=C1C=NN=CN1 F30273 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.3 OC1=CN=NC=C1 O12057 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.3 SC1=NN=CC=C1 AT13031 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.3 [2H]C1=CC=CC=C1 D98570 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.3 [2H]C1=NC=CC=C1 D98277 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.1 BrCC1=NN=C(Br)C=C1 C73657 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.1 C#CC1=CN=C(Br)C=N1 AC9603 [0,1,0,0,0,0|0,0,2]=3 26 B9R1.1 C=CC1=CN=C(F)C=C1 79557 [0,1,0,0,0,0|1,0,2]=4 27 B9R1.1 CC1=CN=C(CBr)N=C1 95158 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.1 CC1=CN=C(CCl)N=C1 P10954 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.1 CC1=NC=C(NN)C=C1 P10368 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.1 CCN1C=CC(=S)C=C1 W16146 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.1 CNC1=CC=C(C)N=N1 AT18436 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.1 CNC1=NC=C(Cl)C=N1 AT18415 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.1 CNC1=NC=C(F)C=N1 AT18273 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.1 CNC1=NC=C(N)C=C1 Y13586 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.1 COC1=CN=C(I)C=C1 F17075 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.1 COC1=CN=C(I)C=N1 D75305 [0,1,0,0,0,0|1,0,0]=2 40 B9R1.1 COC1=NNC(=O)C=C1 AT17771 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.1 CSC1=CN=C(N)N=C1 C16305 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.1 CSC1=NC=C(C)C=N1 E70474 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.1 CSC1=NC=C(N)C=C1 D73901 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.1 CSC1=NC=C(N)N=C1 92096 [0,1,0,0,0,0|1,0,0]=2 45 B9R1.1 CSC1=NN=C(Br)C=C1 AT17781 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.1 ClC1=CN=C(CBr)C=C1 S12201 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.1 ClC1=CN=C(CBr)C=N1 95144 [0,1,0,0,0,0|1,0,0]=2 49 B9R1.1 ClCC1=CN=C(Cl)C=C1 W18630 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.1 ClCC1=NC=C(Br)C=N1 P10957 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.1 ClCC1=NC=C(Cl)C=N1 P10953 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.1 FC1=CN=C(CCl)C=C1 P19178 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.1 NC1=CN=C(CO)N=C1 D78843 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.1 NC1=NC=C(CCl)C=C1 AT22351 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.1 NC1=NN=C(CO)C=C1 AT17786 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.1 NCC1=CN=C(Br)C=N1 F30506 [0,1,0,0,0,0|1,0,0]=2 59 B9R1.1 NCC1=NC=C(F)C=C1 83593 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.1 NCC1=NC=C(F)C=N1 W11735 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.1 NCC1=NC=C(I)C=C1 C91084 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.1 NCC1=NN=C(Cl)C=C1 D84868 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.1 NNC1=CN=C(Br)C=C1 68947 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.1 NNC1=CN=C(Br)C=C1 W15223 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.1 NNC1=CN=C(Br)C=N1 I11308 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.1 NNC1=NC=C(I)C=C1 C91520 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.1 O=CC1=CN=C(F)C=N1 P15039 [0,1,0,0,0,0|1,0,1]=3 68 B9R1.1 OCC1=NC=C(O)C=N1 72629 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.1 OCC1=NN=C(Cl)C=C1 AT17814 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.2 C#CC1=CC(C)=CN=C1 AT12963 [0,1,0,0,0,0|1,0,2]=4 72 B9R1.2 C#CC1=CC=CC(N)=N1 C73323 [0,1,0,0,0,0|1,0,2]=4 73 B9R1.2 C#CC1=CN=CC(N)=C1 C76102 [0,1,0,0,0,0|1,0,2]=4 74 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.2 CC1=CC(CCl)=NC=N1 F52607 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.2 CC1=CC(CN)=NC=N1 AT18324 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.2 CC1=CC=NC(CCl)=N1 P10964 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.2 CC1=CC=NC(CN)=N1 P10960 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.2 CC1=CN=CC(CCl)=N1 O10514 [0,1,0,0,0,0|1,0,0]=2 80 B9R1.2 CC1=CN=CC(CCl)=N1 Y10493 [0,1,0,0,0,0|1,0,0]=2 81 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [0,1,0,0,0,0|1,0,0]=2 82 B9R1.2 CC1=CN=NC(CN)=C1 P13788 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.2 CC1=NC=CC(CCl)=N1 F53395 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.2 CC1=NC=CC(CN)=N1 F14224 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.2 CCC1=CC(Cl)=NN=C1 S11387 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.2 CCC1=NC=CC(Cl)=N1 W12562 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.2 CNC1=CC(Br)=NC=N1 AT18306 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.2 COC1=CCC=C(C)C1 AC4015 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.2 COC1=CN=CC(N)=C1 P11509 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.2 CSC1=CC(Cl)=CN=C1 AT19857 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.2 CSC1=CN=CC(Cl)=N1 AT24641 [0,1,0,0,0,0|1,0,0]=2 93 B9R1.2 CSC1=NC(N)=NC=C1 AT18329 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.2 CSC1=NN=CC(C)=N1 AT21837 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.2 ClC1=NC=CC(CBr)=N1 F12213 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.2 ClCC1=NC=CC(Cl)=C1 C13998 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.2 FC1=CC(CCl)=CN=C1 O10881 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.2 FCC1=CC(Cl)=NC=N1 82110 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.2 N#CC1=NC=CC(I)=C1 P10625 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.2 NCC1=CC(Br)=CN=C1 F19818 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.2 NCC1=CC=CC(Cl)=N1 C72946 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.2 NCC1=NC=CC(N)=C1 77886 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.2 NNC1=NC(N)=CC=C1 C91519 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.2 O=CC1=CC(I)=CN=C1 H10413 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.2 OCC1=CC(O)=NC=N1 59935 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.2 [O-][N+]1=CC=CC(CCl)=C1 96310 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.6 CN(C)C1=NC=NC=C1 O12006 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [0,1,0,0,0,0|0,0,0]=1 115 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [0,1,0,0,0,0|1,0,0]=2 117 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.6 C[C@H](N)C1=CN=CN=C1 P14618 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [0,1,0,0,0,0|1,0,0]=2 120 B9R1.6 C[C@H](N)C1=NC=CC=N1 72045 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [0,1,0,0,0,0|0,0,0]=1 122 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [0,1,0,0,0,0|0,0,0]=1 123 B9R1.6 C[C@H](N)C1=NC=NC=C1 N10689 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.6 C[C@H](N)C1=NC=NC=C1 P10880 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.6 C[C@H](O)C1=NC=NC=C1 AT18318 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.6 O=C([O-])C1=NN=CC=N1 D72030 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.8 BrC#CC1=CN=CC=C1 50128 [0,1,0,0,0,0|1,0,2]=4 129 B9R1.8 BrC#CC1=NC=CC=C1 94426 [0,1,0,0,0,0|1,0,2]=4 130 B9R1.8 BrCCC1=CN=CC=C1 C77647 [0,1,0,0,0,0|1,0,0]=2 131 B9R1.8 CCCC1=CC=CN=C1 O11051 [0,1,0,0,0,0|1,0,0]=2 132 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.8 CCNC1=NC=CN=C1 C76036 [0,1,0,0,0,0|0,0,0]=1 134 B9R1.8 CNCC1=CN=CN=C1 38577 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.8 CNCC1=NC=CC=N1 27199 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.8 CNCC1=NC=CC=N1 72796 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.8 CNCC1=NC=NC=C1 C14477 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.8 CNNC1=CC=CC=C1 C77159 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.8 FCCC1=CC=CC=C1 75534 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.8 NCCC1=CC=CC=C1 T71816 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.8 NCCC1=CC=CC=C1 T72591 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.8 NCCC1=NC=CC=N1 83201 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.8 NCCC1=NC=CC=N1 P10852 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.8 NCCC1=NC=CN=C1 AT22557 [0,1,0,0,0,0|0,0,0]=1 145 B9R1.8 NCCC1=NC=NC=C1 P10950 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.8 NNCC1=NC=CC=C1 P10521 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.8 NNCC1=NC=CN=C1 D78817 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.8 NNCC1=NC=CN=C1 P19174 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.8 OCCC1=CC=NC=C1 T72404 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.8 OCCC1=NN=CC=C1 D77083 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.8 S=C=NC1=NC=CC=C1 C11368 [0,1,0,0,0,0|2,0,1]=4 152 B9R1.8 SCCC1=NC=CC=C1 F18309 [0,1,0,0,0,0|1,0,0]=2 153 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [0,1,0,0,0,0|1,0,1]=3 154 B9R1.15 C#CC1=C(C)C=CN=C1 AT12962 [0,1,0,0,0,0|1,0,2]=4 155 B9R1.15 C#CC1=CC=CN=C1C AT12964 [0,1,0,0,0,0|1,0,2]=4 156 B9R1.15 C#CC1=CC=CN=C1Cl AT12435 [0,1,0,0,0,0|1,0,2]=4 157 B9R1.15 C#CC1=CC=CN=C1N 72370 [0,1,0,0,0,0|1,0,2]=4 158 B9R1.15 C#CC1=NC=CC=C1C 79080 [0,1,0,0,0,0|1,0,2]=4 159 B9R1.15 C#CC1=NC=CN=C1Cl N13059 [0,1,0,0,0,0|0,0,2]=3 160 B9R1.15 C=CC1=C(C)C=CN=C1 P11580 [0,1,0,0,0,0|1,0,2]=4 161 B9R1.15 C=CC1=CC=CN=C1F P13082 [0,1,0,0,0,0|1,0,2]=4 162 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.15 CC1=C(CCl)C=NC=C1 P10971 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.15 CC1=C(CO)C=NC=N1 F31023 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.15 CC1=CC=CN=C1CBr D97530 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.15 CC1=NC=CN=C1CCl P17257 [0,1,0,0,0,0|1,0,0]=2 169 B9R1.15 CC1=NC=CN=C1CN 38702 [0,1,0,0,0,0|1,0,0]=2 170 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [0,1,0,0,0,0|1,0,0]=2 171 B9R1.15 CCC1=C(N)N=NC=C1 S11451 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.15 CCC1=CC=CN=C1C 75814 [0,1,0,0,0,0|1,0,0]=2 173 B9R1.15 CCC1=CN=CN=C1O C15413 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.15 CNC1=C(F)C=NC=N1 AT18309 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.15 CNC1=C(I)C=NC=N1 AT18314 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.15 COC1=C(Br)C=CN=C1 F10479 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.15 COC1=CN=CN=C1Br O11184 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.15 ClC1=CC=CN=C1CBr 79180 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.15 ClC1=CC=CN=C1CBr 86640 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.15 ClCC1=CC=CN=C1Br 55187 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.15 FC1=C(CBr)C=CC=N1 AT20654 [0,1,0,0,0,0|2,0,0]=3 182 B9R1.15 N#CC1=C(S)C=CN=C1 C77520 [0,1,0,0,0,0|2,0,1]=4 183 B9R1.15 NC1=C(C=O)C=NC=C1 W12249 [0,1,0,0,0,0|2,0,1]=4 184 B9R1.15 NC1=C(CCl)C=CC=N1 89794 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.15 NC1=C(CO)C=NC=N1 AT18389 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.15 NCC1=C(Cl)C=CN=C1 C11073 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.15 NCC1=C(F)C=CN=C1 C90218 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.15 NCC1=C(O)C=CN=C1 AT18117 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.15 NCC1=CC=CN=C1Cl 37571 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.15 NCC1=CC=CN=C1N CL0345 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.15 NCC1=[N+]([O-])C=CC=C1 D86206 [0,1,0,0,0,0|2,0,1]=4 194 B9R1.15 NNC1=C(Br)C=CC=N1 F30216 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.15 NNC1=CC=CN=C1Cl D76828 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.15 OCC1=C(F)C=CN=C1 P11878 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.15 [O-][N+]1=C(CCl)N=CC=C1 AT18290 [0,1,0,0,0,0|3,0,0]=4 199 B7R1.1 BrCC1=CN=CS1 70967 [0,0,0,0,1,0|2,0,0]=3 200 B7R1.1 BrCC1=CNC=N1 AT15560 [0,0,0,0,1,0|1,0,1]=3 201 B7R1.1 BrCC1=COC=N1 F13651 [0,0,0,0,1,0|2,0,0]=3 202 B7R1.1 BrCC1=CSC=N1 70966 [0,0,0,0,1,0|2,0,0]=3 203 B7R1.1 BrCC1=NSN=C1 AT12137 [0,0,0,0,1,0|2,0,0]=3 204 B7R1.1 C=CC1=NC=CS1 C72532 [0,0,0,0,1,0|1,0,2]=4 205 B7R1.1 CCC1=CN=CO1 C77473 [0,0,0,0,1,0|1,0,0]=2 206 B7R1.1 CCC1=COC=N1 C77618 [0,0,0,0,1,0|1,0,0]=2 207 B7R1.1 CCC1=NN=CN1 AT12320 [0,0,0,0,1,0|1,0,1]=3 208 B7R1.1 CCN1N=CN=N1 F17210 [0,0,0,0,1,0|2,0,0]=3 209 B7R1.1 CNC1=CNN=C1 AT23101 [0,0,0,0,1,0|2,0,0]=3 210 B7R1.1 CNC1=NC=CS1 H11141 [0,0,0,0,1,0|2,0,0]=3 211 B7R1.1 CNC1=NN=CO1 AT18791 [0,0,0,0,1,0|3,0,0]=4 212 B7R1.1 CNC1=NN=CS1 71255 [0,0,0,0,1,0|3,0,0]=4 213 B7R1.1 COC1=NSC=C1 AT11777 [0,0,0,0,1,0|2,0,0]=3 214 B7R1.1 ClCC1=CN=CS1 F13827 [0,0,0,0,1,0|2,0,0]=3 215 B7R1.1 ClCC1=CNC=N1 70851 [0,0,0,0,1,0|1,0,1]=3 216 B7R1.1 ClCC1=COC=N1 C16353 [0,0,0,0,1,0|2,0,0]=3 217 B7R1.1 ClCC1=CSC=C1 AT17055 [0,0,0,0,1,0|2,0,0]=3 218 B7R1.1 ClCC1=NC=CN1 35198 [0,0,0,0,1,0|1,0,1]=3 219 B7R1.1 ClCC1=NC=CS1 AC6679 [0,0,0,0,1,0|2,0,0]=3 220 B7R1.1 ClCC1=NN=CO1 C90532 [0,0,0,0,1,0|3,0,0]=4 221 B7R1.1 ClCN1C=CC=N1 79341 [0,0,0,0,1,0|2,0,0]=3 222 B7R1.1 N#CC1=CNN=C1 O10410 [0,0,0,0,1,0|2,0,1]=4 223 B7R1.1 NCC1=CC=NN1 P10323 [0,0,0,0,1,0|2,0,0]=3 224 B7R1.1 NCC1=CC=NS1 AT13366 [0,0,0,0,1,0|2,0,0]=3 225 B7R1.1 NCC1=CNC=N1 C90275 [0,0,0,0,1,0|1,0,1]=3 226 B7R1.1 NCC1=CNN=C1 83328 [0,0,0,0,1,0|2,0,0]=3 227 B7R1.1 NCC1=COC=C1 61502 [0,0,0,0,1,0|2,0,0]=3 228 B7R1.1 NCC1=COC=N1 73632 [0,0,0,0,1,0|2,0,0]=3 229 B7R1.1 NCC1=CSN=C1 AT21214 [0,0,0,0,1,0|2,0,0]=3 230 B7R1.1 NCC1=NC=NN1 S10770 [0,0,0,0,1,0|2,0,0]=3 231 B7R1.1 NCC1=NN=CO1 AT18772 [0,0,0,0,1,0|3,0,0]=4 232 B7R1.1 NCC1=NNC=N1 C14327 [0,0,0,0,1,0|2,0,0]=3 233 B7R1.1 NCC1=NSC=C1 P10783 [0,0,0,0,1,0|2,0,0]=3 234 B7R1.1 NNC1=CC=CS1 W17128 [0,0,0,0,1,0|3,0,0]=4 235 B7R1.1 NNC1=NC=CN1 25904 [0,0,0,0,1,0|2,0,1]=4 236 B7R1.1 NNC1=NC=CS1 D87841 [0,0,0,0,1,0|3,0,0]=4 237 B7R1.1 O=CC1=CSN=C1 83208 [0,0,0,0,1,0|2,0,1]=4 238 B7R1.1 OCC1=CC=CN1 AT16114 [0,0,0,0,1,0|1,0,1]=3 239 B7R1.1 OCC1=CC=NN1 H11417 [0,0,0,0,1,0|2,0,0]=3 240 B7R1.1 OCC1=NC=CN1 D72609 [0,0,0,0,1,0|1,0,1]=3 241 B7R1.1 OCC1=NNN=C1 D78628 [0,0,0,0,1,0|2,0,0]=3 242 B7R1.1 OCC1=NNN=N1 D78687 [0,0,0,0,1,0|3,0,0]=4 243 B7R1.1 OCC1=NON=C1 D74166 [0,0,0,0,1,0|2,0,0]=3 244 B7R1.1 SCC1=CC=CS1 T72725 [0,0,0,0,1,0|2,0,0]=3 245 B6R0.6 CCO\C=C\C=O F18326 [1,0,1,0,0,0|2,0,0]=4 246 B8R1.3 CC1=CN=C(C)N=C1 C15366 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.3 CC1=CN=C(Cl)N=C1 F13414 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.3 CC1=CN=C(I)N=C1 90174 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.3 CC1=CN=C(O)N=C1 W10551 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.3 CC1=NC=C(I)C=N1 82252 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.3 NC1=CN=C(O)C=N1 N13380 [1,1,0,0,0,0|1,0,0]=3 252 B8R1.3 NC1=CN=C(S)C=C1 AT20609 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.4 BrC1=CC(I)=NC=C1 A10666 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.4 CC1=CC(I)=NC=C1 D87895 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.4 CC1=CC=NC(I)=N1 N13215 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.4 CC1=NC(N)=CN=N1 D86296 [1,1,0,0,0,0|1,0,0]=3 257 B8R1.4 ClC1=NC(Cl)=NN=C1 F53483 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.4 NC1=NC(Cl)=NN=C1 92269 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.4 OC1=CC(I)=CN=C1 D74429 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.4 SC1=CC(Br)=CN=C1 P12662 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.4 [2H]C1=CC=CC([2H])=N1 D98925 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.5 CC1=CN=CN=C1Cl 72600 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.5 CC1=CN=NC=C1C C15709 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.5 CC1=NC=CN=C1I P10643 [1,1,0,0,0,0|0,0,0]=2 265 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [1,1,0,0,0,0|1,0,1]=4 266 B8R1.5 C[C@H]1C=NC=CC1=S AT18149 [1,1,0,0,0,0|1,0,1]=4 267 B8R1.5 FC1=C(F)C=NC=C1 O10910 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.5 FC1=CC=CN=C1S AT18759 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.5 FC1=NC=CN=C1I D76573 [1,1,0,0,0,0|1,0,0]=3 270 B8R1.5 IC1=NC=CN=C1I N13386 [1,1,0,0,0,0|1,0,0]=3 271 B8R1.5 NC1=C(S)C=NC=C1 P11896 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.1 BrCC1=CC(Br)=NO1 69283 [0,1,0,0,1,0|2,0,0]=4 273 B8R1.1 BrCC1=CC=C(Br)O1 55253 [0,1,0,0,1,0|2,0,0]=4 274 B8R1.1 BrCC1=CC=C(Br)S1 AC9027 [0,1,0,0,1,0|2,0,0]=4 275 B8R1.1 BrCC1=CSC(Br)=C1 AT16378 [0,1,0,0,1,0|2,0,0]=4 276 B8R1.1 BrCC1=CSC(Br)=N1 AT14625 [0,1,0,0,1,0|2,0,0]=4 277 B8R1.1 BrCC1=NC(Br)=CS1 82078 [0,1,0,0,1,0|2,0,0]=4 278 B8R1.1 BrCC1=NC=C(Br)S1 AT14726 [0,1,0,0,1,0|2,0,0]=4 279 B8R1.1 CC1=CC(CCl)=NN1 AT15945 [0,1,0,0,1,0|2,0,0]=4 280 B8R1.1 CC1=CC(CN)=CO1 AT17525 [0,1,0,0,1,0|2,0,0]=4 281 B8R1.1 CC1=CC(CO)=CO1 AT17479 [0,1,0,0,1,0|2,0,0]=4 282 B8R1.1 CC1=CC(CO)=CS1 AT16765 [0,1,0,0,1,0|2,0,0]=4 283 B8R1.1 CC1=CC(CO)=NN1 O10131 [0,1,0,0,1,0|2,0,0]=4 284 B8R1.1 CC1=CC(CO)=NS1 AT21126 [0,1,0,0,1,0|2,0,0]=4 285 B8R1.1 CC1=CN=C(CCl)O1 AT18576 [0,1,0,0,1,0|2,0,0]=4 286 B8R1.1 CC1=CN=C(CN)O1 P18975 [0,1,0,0,1,0|2,0,0]=4 287 B8R1.1 CC1=CN=C(CN)S1 32702 [0,1,0,0,1,0|2,0,0]=4 288 B8R1.1 CC1=CN=C(CO)N1 P12877 [0,1,0,0,1,0|1,0,1]=4 289 B8R1.1 CC1=CN=C(CO)O1 AT18512 [0,1,0,0,1,0|2,0,0]=4 290 B8R1.1 CC1=COC(CO)=C1 AT17124 [0,1,0,0,1,0|2,0,0]=4 291 B8R1.1 CC1=NC(CCl)=CN1 AT15569 [0,1,0,0,1,0|1,0,1]=4 292 B8R1.1 CC1=NC(CN)=CN1 AT15472 [0,1,0,0,1,0|1,0,1]=4 293 B8R1.1 CC1=NC(CN)=CO1 C71257 [0,1,0,0,1,0|2,0,0]=4 294 B8R1.1 CC1=NC(CN)=CO1 D83900 [0,1,0,0,1,0|2,0,0]=4 295 B8R1.1 CC1=NC(CN)=CS1 D86402 [0,1,0,0,1,0|2,0,0]=4 296 B8R1.1 CC1=NC=C(CCl)O1 C77476 [0,1,0,0,1,0|2,0,0]=4 297 B8R1.1 CC1=NC=C(CCl)S1 AT15077 [0,1,0,0,1,0|2,0,0]=4 298 B8R1.1 CC1=NC=C(CO)N1 W10507 [0,1,0,0,1,0|1,0,1]=4 299 B8R1.1 CC1=NC=C(CO)O1 F12980 [0,1,0,0,1,0|2,0,0]=4 300 B8R1.1 CC1=NNC(CCl)=N1 AT12311 [0,1,0,0,1,0|2,0,0]=4 301 B8R1.1 CC1=NNC(CN)=C1 AC1083 [0,1,0,0,1,0|2,0,0]=4 302 B8R1.1 CC1=NNC(CO)=N1 AT12312 [0,1,0,0,1,0|2,0,0]=4 303 B8R1.1 CC1=NOC(CN)=C1 A10590 [0,1,0,0,1,0|2,0,0]=4 304 B8R1.1 CC1=NSC(CN)=C1 AT21220 [0,1,0,0,1,0|2,0,0]=4 305 B8R1.1 CCC1=CC=C(S)S1 AT16555 [0,1,0,0,1,0|1,0,0]=3 306 B8R1.1 CCC1=CN=C(Br)S1 56511 [0,1,0,0,1,0|1,0,0]=3 307 B8R1.1 CCC1=CN=C(S)S1 E72343 [0,1,0,0,1,0|1,0,0]=3 308 B8R1.1 CCC1=CSC(Br)=N1 32166 [0,1,0,0,1,0|1,0,0]=3 309 B8R1.1 CCC1=NC(Br)=CN1 AT15316 [0,1,0,0,1,0|0,0,1]=3 310 B8R1.1 CCC1=NC(Br)=NO1 AT25810 [0,1,0,0,1,0|1,0,0]=3 311 B8R1.1 CCC1=NN(C)C=C1 C91459 [0,1,0,0,1,0|1,0,0]=3 312 B8R1.1 CCC1=NN=C(Br)N1 AT12502 [0,1,0,0,1,0|1,0,1]=4 313 B8R1.1 CCC1=NN=C(Br)O1 AT16432 [0,1,0,0,1,0|2,0,0]=4 314 B8R1.1 CCC1=NN=C(Br)S1 AT18854 [0,1,0,0,1,0|2,0,0]=4 315 B8R1.1 CCC1=NN=C(Cl)N1 AT12315 [0,1,0,0,1,0|1,0,1]=4 316 B8R1.1 CCC1=NN=C(Cl)O1 AT18833 [0,1,0,0,1,0|2,0,0]=4 317 B8R1.1 CCC1=NN=C(Cl)S1 AT18983 [0,1,0,0,1,0|2,0,0]=4 318 B8R1.1 CCC1=NN=C(N)N1 AT12223 [0,1,0,0,1,0|1,0,1]=4 319 B8R1.1 CCC1=NN=C(N)O1 VT1414 [0,1,0,0,1,0|2,0,0]=4 320 B8R1.1 CCC1=NN=C(O)O1 AT18768 [0,1,0,0,1,0|2,0,0]=4 321 B8R1.1 CCC1=NN=C(S)S1 AT18942 [0,1,0,0,1,0|2,0,0]=4 322 B8R1.1 CCC1=NSC(Br)=N1 AT11967 [0,1,0,0,1,0|1,0,0]=3 323 B8R1.1 CCN1C=C(I)C=N1 77861 [0,1,0,0,1,0|1,0,0]=3 324 B8R1.1 CCN1C=CC(Br)=N1 AT15804 [0,1,0,0,1,0|1,0,0]=3 325 B8R1.1 CCN1C=CC(Cl)=N1 E72194 [0,1,0,0,1,0|1,0,0]=3 326 B8R1.1 CCN1C=CC(O)=N1 AT14005 [0,1,0,0,1,0|1,0,0]=3 327 B8R1.1 CCN1C=NC(Br)=N1 AT11956 [0,1,0,0,1,0|1,0,0]=3 328 B8R1.1 CCN1C=NC(I)=C1 S10075 [0,1,0,0,1,0|1,0,0]=3 329 B8R1.1 CCN1C=NC(N)=N1 AT11934 [0,1,0,0,1,0|1,0,0]=3 330 B8R1.1 CCN1C=NC(N)=N1 AT11937 [0,1,0,0,1,0|1,0,0]=3 331 B8R1.1 CCN1N=CC(N)=N1 AT11960 [0,1,0,0,1,0|1,0,0]=3 332 B8R1.1 CN1C=C(CBr)C=N1 P19158 [0,1,0,0,1,0|2,0,0]=4 333 B8R1.1 CN1C=CC(CBr)=N1 AT15924 [0,1,0,0,1,0|2,0,0]=4 334 B8R1.1 CN1C=CC(CCl)=N1 AT15950 [0,1,0,0,1,0|2,0,0]=4 335 B8R1.1 CN1C=CC(CN)=C1 AT16243 [0,1,0,0,1,0|1,0,1]=4 336 B8R1.1 CN1C=NC(CBr)=C1 O11081 [0,1,0,0,1,0|1,0,1]=4 337 B8R1.1 CN1C=NC(CN)=N1 P12179 [0,1,0,0,1,0|2,0,0]=4 338 B8R1.1 CN1N=CC(CBr)=N1 95943 [0,1,0,0,1,0|2,0,0]=4 339 B8R1.1 CN1N=CC(CO)=N1 95942 [0,1,0,0,1,0|2,0,0]=4 340 B8R1.1 CNC1=NC(N)=NN1 AT21328 [0,1,0,0,1,0|2,0,0]=4 341 B8R1.1 CNC1=NC=C(Br)S1 AT14732 [0,1,0,0,1,0|2,0,0]=4 342 B8R1.1 CNC1=NN(C)C=C1 AT14076 [0,1,0,0,1,0|2,0,0]=4 343 B8R1.1 CNC1=NNC(Br)=C1 57327 [0,1,0,0,1,0|2,0,0]=4 344 B8R1.1 CNC1=NNC(C)=C1 57298 [0,1,0,0,1,0|2,0,0]=4 345 B8R1.1 CNC1=NOC(C)=C1 AT19802 [0,1,0,0,1,0|2,0,0]=4 346 B8R1.1 COC1=CC(N)=NN1 76300 [0,1,0,0,1,0|2,0,0]=4 347 B8R1.1 COC1=CC=C(Br)S1 N10622 [0,1,0,0,1,0|2,0,0]=4 348 B8R1.1 COC1=CN(C)N=C1 C91427 [0,1,0,0,1,0|2,0,0]=4 349 B8R1.1 COC1=CSC(Br)=N1 AT14677 [0,1,0,0,1,0|2,0,0]=4 350 B8R1.1 COC1=NC(Br)=NN1 AT12186 [0,1,0,0,1,0|2,0,0]=4 351 B8R1.1 COC1=NC(N)=NN1 AT21267 [0,1,0,0,1,0|2,0,0]=4 352 B8R1.1 COC1=NN(C)C=C1 AT24917 [0,1,0,0,1,0|2,0,0]=4 353 B8R1.1 COC1=NNC(Br)=C1 P13052 [0,1,0,0,1,0|2,0,0]=4 354 B8R1.1 COC1=NNC(C)=C1 E71889 [0,1,0,0,1,0|2,0,0]=4 355 B8R1.1 CSC1=NNC(Cl)=N1 AT12265 [0,1,0,0,1,0|2,0,0]=4 356 B8R1.1 ClC1=CC(CBr)=CS1 AT16579 [0,1,0,0,1,0|2,0,0]=4 357 B8R1.1 ClC1=CC=C(CBr)S1 AT16577 [0,1,0,0,1,0|2,0,0]=4 358 B8R1.1 ClC1=NC(CBr)=CS1 AT15272 [0,1,0,0,1,0|2,0,0]=4 359 B8R1.1 ClC1=NC=C(CI)S1 AC9205 [0,1,0,0,1,0|2,0,0]=4 360 B8R1.1 ClCC1=CC(Br)=CS1 F30091 [0,1,0,0,1,0|2,0,0]=4 361 B8R1.1 ClCC1=CC(Br)=NO1 69282 [0,1,0,0,1,0|2,0,0]=4 362 B8R1.1 ClCC1=CC=C(Br)S1 AT16373 [0,1,0,0,1,0|2,0,0]=4 363 B8R1.1 ClCC1=CSC(Br)=C1 AT16374 [0,1,0,0,1,0|2,0,0]=4 364 B8R1.1 ClCC1=NC(Cl)=CS1 AT15212 [0,1,0,0,1,0|2,0,0]=4 365 B8R1.1 ClCC1=NC=C(Br)S1 AT14714 [0,1,0,0,1,0|2,0,0]=4 366 B8R1.1 ClCC1=NC=C(Cl)S1 AT15029 [0,1,0,0,1,0|2,0,0]=4 367 B8R1.1 ClCC1=NSC(Cl)=N1 50160 [0,1,0,0,1,0|2,0,0]=4 368 B8R1.1 NC1=NC(CCl)=CS1 37206 [0,1,0,0,1,0|2,0,0]=4 369 B8R1.1 NC1=NC(CCl)=NS1 90593 [0,1,0,0,1,0|2,0,0]=4 370 B8R1.1 NC1=NC(CO)=NO1 F30847 [0,1,0,0,1,0|2,0,0]=4 371 B8R1.1 NCC1=CC(Br)=CN1 AT16225 [0,1,0,0,1,0|1,0,1]=4 372 B8R1.1 NCC1=CC(Br)=NO1 25297 [0,1,0,0,1,0|2,0,0]=4 373 B8R1.1 NCC1=CC(Br)=NO1 69284 [0,1,0,0,1,0|2,0,0]=4 374 B8R1.1 NCC1=CC(Cl)=CO1 50492 [0,1,0,0,1,0|2,0,0]=4 375 B8R1.1 NCC1=CC=C(Br)O1 79914 [0,1,0,0,1,0|2,0,0]=4 376 B8R1.1 NCC1=CC=C(Br)O1 94512 [0,1,0,0,1,0|2,0,0]=4 377 B8R1.1 NCC1=CC=C(Cl)S1 P19111 [0,1,0,0,1,0|2,0,0]=4 378 B8R1.1 NCC1=CSC(Br)=C1 AT16376 [0,1,0,0,1,0|2,0,0]=4 379 B8R1.1 NCC1=CSC(Br)=N1 AT14626 [0,1,0,0,1,0|2,0,0]=4 380 B8R1.1 NCC1=CSC(Cl)=N1 AT14764 [0,1,0,0,1,0|2,0,0]=4 381 B8R1.1 NCC1=NC(Cl)=CS1 AT15205 [0,1,0,0,1,0|2,0,0]=4 382 B8R1.1 NCC1=NC(Cl)=NN1 AT24768 [0,1,0,0,1,0|2,0,0]=4 383 B8R1.1 NCC1=NC=C(Br)S1 P12853 [0,1,0,0,1,0|2,0,0]=4 384 B8R1.1 NCC1=NC=C(Cl)S1 P11510 [0,1,0,0,1,0|2,0,0]=4 385 B8R1.1 NCC1=NNC(Br)=N1 AT10928 [0,1,0,0,1,0|2,0,0]=4 386 B8R1.1 OCC1=CC(Cl)=CS1 37631 [0,1,0,0,1,0|2,0,0]=4 387 B8R1.1 OCC1=COC(Cl)=N1 P10563 [0,1,0,0,1,0|2,0,0]=4 388 B8R1.1 OCC1=CSC(Br)=C1 AT16369 [0,1,0,0,1,0|2,0,0]=4 389 B8R1.1 OCC1=CSC(F)=N1 AT14869 [0,1,0,0,1,0|2,0,0]=4 390 B8R1.1 OCC1=NC=C(Br)N1 P17528 [0,1,0,0,1,0|1,0,1]=4 391 B8R1.1 OCC1=NNC(O)=C1 C90528 [0,1,0,0,1,0|2,0,0]=4 392 B8R1.7 C=C(C)C1=NC=CS1 T71747 [0,1,0,0,1,0|1,0,1]=4 393 B8R1.7 CC(=O)C1=CN=CO1 F19037 [0,1,0,0,1,0|1,0,1]=4 394 B8R1.7 CC(=O)C1=COC=N1 AT18593 [0,1,0,0,1,0|1,0,1]=4 395 B8R1.7 CC(=O)C1=CSN=C1 AT21129 [0,1,0,0,1,0|1,0,1]=4 396 B8R1.7 CC(=O)C1=NNC=N1 AT12117 [0,1,0,0,1,0|1,0,1]=4 397 B8R1.7 CC(C)C1=NN=CN1 AT12319 [0,1,0,0,1,0|1,0,1]=4 398 B8R1.7 CC(C)N1N=CN=N1 F17158 [0,1,0,0,1,0|2,0,0]=4 399 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,1,0,0,1,0|1,0,0]=3 400 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,1,0,0,1,0|1,0,0]=3 401 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,1,0,0,1,0|1,0,0]=3 402 B8R1.7 C[C@H](N)C1=CN=CN1 D71963 [0,1,0,0,1,0|0,0,1]=3 403 B8R1.7 C[C@H](N)C1=CN=CS1 AT14771 [0,1,0,0,1,0|1,0,0]=3 404 B8R1.7 C[C@H](N)C1=CN=CS1 AT14772 [0,1,0,0,1,0|1,0,0]=3 405 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [0,1,0,0,1,0|1,0,0]=3 406 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [0,1,0,0,1,0|1,0,0]=3 407 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [0,1,0,0,1,0|1,0,0]=3 408 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [0,1,0,0,1,0|1,0,0]=3 409 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [0,1,0,0,1,0|1,0,0]=3 410 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [0,1,0,0,1,0|1,0,0]=3 411 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [0,1,0,0,1,0|0,0,1]=3 412 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [0,1,0,0,1,0|0,0,1]=3 413 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [0,1,0,0,1,0|0,0,1]=3 414 B8R1.7 C[C@H](N)C1=NC=CS1 AT14699 [0,1,0,0,1,0|1,0,0]=3 415 B8R1.7 C[C@H](N)C1=NC=NN1 AT10973 [0,1,0,0,1,0|1,0,0]=3 416 B8R1.7 C[C@H](N)C1=NN=CN1 D75137 [0,1,0,0,1,0|1,0,1]=4 417 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [0,1,0,0,1,0|1,0,0]=3 418 B8R1.7 C[C@H](N)C1=NNC=N1 AC8934 [0,1,0,0,1,0|1,0,0]=3 419 B8R1.7 C[C@H](N)C1=NNN=N1 F10421 [0,1,0,0,1,0|2,0,0]=4 420 B8R1.7 C[C@H](N)C1=NNN=N1 F52027 [0,1,0,0,1,0|2,0,0]=4 421 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [0,1,0,0,1,0|1,0,0]=3 422 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [0,1,0,0,1,0|1,0,0]=3 423 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [0,1,0,0,1,0|1,0,0]=3 424 B8R1.7 C[C@H](O)C1=CN=CS1 AT14775 [0,1,0,0,1,0|1,0,0]=3 425 B8R1.7 C[C@H](O)C1=CN=CS1 AT14778 [0,1,0,0,1,0|1,0,0]=3 426 B8R1.7 C[C@H](O)C1=CN=CS1 AT14782 [0,1,0,0,1,0|1,0,0]=3 427 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [0,1,0,0,1,0|1,0,0]=3 428 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [0,1,0,0,1,0|1,0,0]=3 429 B8R1.7 C[C@H](O)C1=COC=N1 F13182 [0,1,0,0,1,0|1,0,0]=3 430 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [0,1,0,0,1,0|1,0,0]=3 431 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [0,1,0,0,1,0|0,0,1]=3 432 B8R1.7 C[C@H](O)C1=NC=CS1 AT14682 [0,1,0,0,1,0|1,0,0]=3 433 B8R1.7 C[C@H](O)C1=NC=CS1 AT14685 [0,1,0,0,1,0|1,0,0]=3 434 B8R1.7 C[C@H](O)C1=NN=CN1 AT21384 [0,1,0,0,1,0|1,0,1]=4 435 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [0,1,0,0,1,0|1,0,0]=3 436 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [0,1,0,0,1,0|1,0,0]=3 437 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [0,1,0,0,1,0|1,0,0]=3 438 B8R1.7 FC(F)N1C=CC=N1 AT12045 [0,1,0,0,1,0|2,0,0]=4 439 B8R1.7 FC(F)N1C=NC=N1 AT12053 [0,1,0,0,1,0|2,0,0]=4 440 B8R1.8 BrCCC1=CC=CS1 F20027 [0,1,0,0,1,0|1,0,0]=3 441 B8R1.8 BrCCC1=CNN=C1 F14413 [0,1,0,0,1,0|1,0,0]=3 442 B8R1.8 BrCCN1C=NC=N1 AC6818 [0,1,0,0,1,0|1,0,0]=3 443 B8R1.8 BrCCN1C=NC=N1 AT12109 [0,1,0,0,1,0|1,0,0]=3 444 B8R1.8 C#CCN1C=NC=N1 N10419 [0,1,0,0,1,0|1,0,1]=4 445 B8R1.8 CCNC1=NC=NN1 AT21327 [0,1,0,0,1,0|1,0,0]=3 446 B8R1.8 CCNC1=NN=CO1 AT18792 [0,1,0,0,1,0|2,0,0]=4 447 B8R1.8 CNCC1=CC=NN1 27042 [0,1,0,0,1,0|1,0,0]=3 448 B8R1.8 CNCC1=CC=NN1 AT10969 [0,1,0,0,1,0|1,0,0]=3 449 B8R1.8 CNCC1=CN=CS1 71400 [0,1,0,0,1,0|1,0,0]=3 450 B8R1.8 CNCC1=CSC=C1 AT16803 [0,1,0,0,1,0|1,0,0]=3 451 B8R1.8 CNCC1=CSC=N1 AT10976 [0,1,0,0,1,0|1,0,0]=3 452 B8R1.8 CNCC1=CSC=N1 AT14743 [0,1,0,0,1,0|1,0,0]=3 453 B8R1.8 CNCC1=NC=CN1 W10149 [0,1,0,0,1,0|0,0,1]=3 454 B8R1.8 CNCC1=NC=CS1 AT10974 [0,1,0,0,1,0|1,0,0]=3 455 B8R1.8 CNCC1=NNC=C1 F31265 [0,1,0,0,1,0|1,0,0]=3 456 B8R1.8 CNCC1=NOC=C1 AT10962 [0,1,0,0,1,0|1,0,0]=3 457 B8R1.8 COCC1=NC=CN1 P10070 [0,1,0,0,1,0|0,0,1]=3 458 B8R1.8 COCC1=NNC=N1 AT12266 [0,1,0,0,1,0|1,0,0]=3 459 B8R1.8 ClCCC1=CNC=N1 D82567 [0,1,0,0,1,0|0,0,1]=3 460 B8R1.8 ClCCC1=CNN=C1 AC2763 [0,1,0,0,1,0|1,0,0]=3 461 B8R1.8 ClCCC1=NN=NN1 24987 [0,1,0,0,1,0|2,0,0]=4 462 B8R1.8 N#CCC1=CC=NO1 AC6956 [0,1,0,0,1,0|1,0,1]=4 463 B8R1.8 N#CCC1=CN=CS1 97777 [0,1,0,0,1,0|1,0,1]=4 464 B8R1.8 N#CCC1=CON=C1 AT21053 [0,1,0,0,1,0|1,0,1]=4 465 B8R1.8 N#CCC1=NC=CN1 F17294 [0,1,0,0,1,0|0,0,2]=4 466 B8R1.8 N#CCC1=NSN=C1 AT12130 [0,1,0,0,1,0|1,0,1]=4 467 B8R1.8 N#CCN1N=CC=N1 D87974 [0,1,0,0,1,0|1,0,1]=4 468 B8R1.8 NCCC1=CN=CN1 S10979 [0,1,0,0,1,0|0,0,1]=3 469 B8R1.8 NCCC1=CNN=C1 AC1363 [0,1,0,0,1,0|1,0,0]=3 470 B8R1.8 NCCC1=CNN=C1 D85886 [0,1,0,0,1,0|1,0,0]=3 471 B8R1.8 NCCC1=COC=N1 AT18667 [0,1,0,0,1,0|1,0,0]=3 472 B8R1.8 NCCC1=NC=CS1 F51904 [0,1,0,0,1,0|1,0,0]=3 473 B8R1.8 NCCC1=NNC=C1 AC2815 [0,1,0,0,1,0|1,0,0]=3 474 B8R1.8 NCCN1C=CC=N1 AT10968 [0,1,0,0,1,0|1,0,0]=3 475 B8R1.8 NCCN1C=CN=N1 C90622 [0,1,0,0,1,0|2,0,0]=4 476 B8R1.8 NCCN1C=NN=C1 AT12145 [0,1,0,0,1,0|2,0,0]=4 477 B8R1.8 NNCC1=CC=CS1 P10519 [0,1,0,0,1,0|2,0,0]=4 478 B8R1.8 NNCC1=CSC=C1 P10771 [0,1,0,0,1,0|2,0,0]=4 479 B8R1.8 O=CCC1=CC=CS1 O10539 [0,1,0,0,1,0|1,0,1]=4 480 B8R1.8 O=CCC1=NC=CS1 D88143 [0,1,0,0,1,0|1,0,1]=4 481 B8R1.8 OCCN1C=CN=N1 N16844 [0,1,0,0,1,0|2,0,0]=4 482 B8R1.11 BrCC1=CSC=C1Br 88259 [0,1,0,0,1,0|2,0,0]=4 483 B8R1.11 CC1=C(CBr)SC=N1 AT24615 [0,1,0,0,1,0|2,0,0]=4 484 B8R1.11 CC1=C(CCl)C=NO1 AC2811 [0,1,0,0,1,0|2,0,0]=4 485 B8R1.11 CC1=C(CCl)N=CS1 AT15300 [0,1,0,0,1,0|2,0,0]=4 486 B8R1.11 CC1=C(CCl)OC=N1 C11081 [0,1,0,0,1,0|2,0,0]=4 487 B8R1.11 CC1=C(CCl)SC=N1 74336 [0,1,0,0,1,0|2,0,0]=4 488 B8R1.11 CC1=C(CCl)SC=N1 AT15073 [0,1,0,0,1,0|2,0,0]=4 489 B8R1.11 CC1=C(CN)C=CO1 AT17524 [0,1,0,0,1,0|2,0,0]=4 490 B8R1.11 CC1=C(CN)C=CO1 AT17541 [0,1,0,0,1,0|2,0,0]=4 491 B8R1.11 CC1=C(CN)C=CS1 AT16801 [0,1,0,0,1,0|2,0,0]=4 492 B8R1.11 CC1=C(CN)C=NO1 72465 [0,1,0,0,1,0|2,0,0]=4 493 B8R1.11 CC1=C(CN)C=NO1 W10068 [0,1,0,0,1,0|2,0,0]=4 494 B8R1.11 CC1=C(CN)N=CN1 AT15470 [0,1,0,0,1,0|1,0,1]=4 495 B8R1.11 CC1=C(CN)N=CO1 AT18605 [0,1,0,0,1,0|2,0,0]=4 496 B8R1.11 CC1=C(CN)NC=N1 F19544 [0,1,0,0,1,0|1,0,1]=4 497 B8R1.11 CC1=C(CN)OC=C1 AT17196 [0,1,0,0,1,0|2,0,0]=4 498 B8R1.11 CC1=C(CN)OC=N1 AT18687 [0,1,0,0,1,0|2,0,0]=4 499 B8R1.11 CC1=C(CN)SC=C1 71361 [0,1,0,0,1,0|2,0,0]=4 500 B8R1.11 CC1=C(CO)N=CS1 AT21447 [0,1,0,0,1,0|2,0,0]=4 501 B8R1.11 CC1=C(CO)ON=C1 A51017 [0,1,0,0,1,0|2,0,0]=4 502 B8R1.11 CC1=C(CO)SC=N1 74180 [0,1,0,0,1,0|2,0,0]=4 503 B8R1.11 CC1=CNN=C1CCl AT15943 [0,1,0,0,1,0|2,0,0]=4 504 B8R1.11 CC1=CON=C1CO 95084 [0,1,0,0,1,0|2,0,0]=4 505 B8R1.11 CC1=CSC=C1CN AT16790 [0,1,0,0,1,0|2,0,0]=4 506 B8R1.11 CC1=NOC=C1CCl AT19032 [0,1,0,0,1,0|2,0,0]=4 507 B8R1.11 CC1=NON=C1CBr D74168 [0,1,0,0,1,0|2,0,0]=4 508 B8R1.11 CC1=NON=C1CCl 70874 [0,1,0,0,1,0|2,0,0]=4 509 B8R1.11 CC1=NON=C1CO D74169 [0,1,0,0,1,0|2,0,0]=4 510 B8R1.11 CC1=NSC=C1CO AT21132 [0,1,0,0,1,0|2,0,0]=4 511 B8R1.11 CCC1=C(N)C=NO1 AT19807 [0,1,0,0,1,0|1,0,0]=3 512 B8R1.11 CCC1=C(N)ON=C1 AT19811 [0,1,0,0,1,0|1,0,0]=3 513 B8R1.11 CCC1=C(N)SC=N1 W15853 [0,1,0,0,1,0|1,0,0]=3 514 B8R1.11 CCC1=CNN=C1N 24047 [0,1,0,0,1,0|1,0,0]=3 515 B8R1.11 CCC1=NNC=C1I I11378 [0,1,0,0,1,0|1,0,0]=3 516 B8R1.11 CCC1=NNC=C1N AT14204 [0,1,0,0,1,0|1,0,0]=3 517 B8R1.11 CCN1C=CN=C1C F16031 [0,1,0,0,1,0|1,0,0]=3 518 B8R1.11 CCN1C=CN=C1N AT15605 [0,1,0,0,1,0|1,0,0]=3 519 B8R1.11 CCN1C=NN=C1Br AT11957 [0,1,0,0,1,0|2,0,0]=4 520 B8R1.11 CCN1C=NN=C1N AT12370 [0,1,0,0,1,0|2,0,0]=4 521 B8R1.11 CCN1C=NN=C1O AT21266 [0,1,0,0,1,0|2,0,0]=4 522 B8R1.11 CCN1N=CC=C1Br F17300 [0,1,0,0,1,0|1,0,0]=3 523 B8R1.11 CCN1N=CC=C1Cl AT15849 [0,1,0,0,1,0|1,0,0]=3 524 B8R1.11 CCN1N=CC=C1O AT14056 [0,1,0,0,1,0|1,0,0]=3 525 B8R1.11 CCN1N=CN=C1N AT12360 [0,1,0,0,1,0|1,0,0]=3 526 B8R1.11 CCN1N=CN=C1N AT12361 [0,1,0,0,1,0|1,0,0]=3 527 B8R1.11 CN1C=CN=C1CBr AT15680 [0,1,0,0,1,0|1,0,1]=4 528 B8R1.11 CN1C=CN=C1CN AT15625 [0,1,0,0,1,0|1,0,1]=4 529 B8R1.11 CN1C=NC=C1CBr O11296 [0,1,0,0,1,0|1,0,1]=4 530 B8R1.11 CN1C=NC=C1CCl 94781 [0,1,0,0,1,0|1,0,1]=4 531 B8R1.11 CN1N=CC=C1CBr AT15925 [0,1,0,0,1,0|2,0,0]=4 532 B8R1.11 CN1N=CN=C1CO AT21385 [0,1,0,0,1,0|2,0,0]=4 533 B8R1.11 CN1N=CN=C1CO AT21388 [0,1,0,0,1,0|2,0,0]=4 534 B8R1.11 CNC1=CC=NN1C AT14117 [0,1,0,0,1,0|2,0,0]=4 535 B8R1.11 CNC1=CN=CN1C 98139 [0,1,0,0,1,0|1,0,1]=4 536 B8R1.11 CNC1=CSN=C1C AT21113 [0,1,0,0,1,0|2,0,0]=4 537 B8R1.11 CNC1=NC=CN1C AT15602 [0,1,0,0,1,0|1,0,1]=4 538 B8R1.11 CNC1=NNC=C1C 57305 [0,1,0,0,1,0|2,0,0]=4 539 B8R1.11 COC1=C(Br)C=CS1 AT16340 [0,1,0,0,1,0|2,0,0]=4 540 B8R1.11 COC1=C(Br)SC=N1 AT14705 [0,1,0,0,1,0|2,0,0]=4 541 B8R1.11 COC1=C(C)C=CS1 91670 [0,1,0,0,1,0|2,0,0]=4 542 B8R1.11 COC1=C(N)NN=C1 AT12746 [0,1,0,0,1,0|2,0,0]=4 543 B8R1.11 C[S@H]1C=CC=C1CN AT17306 [0,1,0,0,1,0|2,0,0]=4 544 B8R1.11 ClC1=C(CBr)SC=N1 AT15037 [0,1,0,0,1,0|2,0,0]=4 545 B8R1.11 ClCC1=C(Br)C=CS1 AT16718 [0,1,0,0,1,0|2,0,0]=4 546 B8R1.11 ClCC1=C(Br)SC=N1 AT14723 [0,1,0,0,1,0|2,0,0]=4 547 B8R1.11 ClCC1=C(Cl)C=CS1 AT16716 [0,1,0,0,1,0|2,0,0]=4 548 B8R1.11 ClCC1=C(Cl)SC=C1 AT17068 [0,1,0,0,1,0|2,0,0]=4 549 B8R1.11 NCC1=C(Br)C=CS1 P10346 [0,1,0,0,1,0|2,0,0]=4 550 B8R1.11 NCC1=CSC=C1Br AT16740 [0,1,0,0,1,0|2,0,0]=4 551 B8R1.11 NCC1=CSC=C1Cl AT16880 [0,1,0,0,1,0|2,0,0]=4 552 B8R1.11 OCC1=C(Br)C=NN1 58515 [0,1,0,0,1,0|2,0,0]=4 553 B8R1.11 OCC1=C(Cl)N=CS1 AT14780 [0,1,0,0,1,0|2,0,0]=4 554 B8R1.11 OCC1=C(Cl)SC=C1 AT16564 [0,1,0,0,1,0|2,0,0]=4 555 B8R1.11 OCC1=CSC=C1Br 88258 [0,1,0,0,1,0|2,0,0]=4 556 B8R1.11 OCC1=CSC=C1Cl AT16882 [0,1,0,0,1,0|2,0,0]=4 557 B10R1.1 CC1=CN=C(CCN)N=C1 AT18271 [0,2,0,0,0,0|2,0,0]=4 558 B10R1.1 CC1=NC=C(CC#N)C=C1 54748 [0,2,0,0,0,0|1,0,1]=4 559 B10R1.1 CC1=NC=C(CNN)C=C1 F15210 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.1 CCNC1=CC=C(C)N=N1 AT18438 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [0,2,0,0,0,0|1,0,0]=3 562 B10R1.1 CNCC1=NC=C(Br)C=N1 AT18380 [0,2,0,0,0,0|2,0,0]=4 563 B10R1.1 CNCC1=NC=C(Cl)C=C1 AT26664 [0,2,0,0,0,0|1,0,0]=3 564 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.1 N#CCC1=CN=C(Cl)C=N1 95162 [0,2,0,0,0,0|0,0,1]=3 567 B10R1.1 N#CCC1=NC=C(F)C=C1 O10489 [0,2,0,0,0,0|1,0,1]=4 568 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [0,2,0,0,0,0|1,0,0]=3 570 B10R1.1 O=C1N=CC(CCO)=CN1 AT18210 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [0,2,0,0,0,0|1,0,0]=3 572 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [0,2,0,0,0,0|1,0,0]=3 573 B10R1.1 OCCC1=CN=C(S)N=C1 AT18279 [0,2,0,0,0,0|2,0,0]=4 574 B10R1.1 [BH3-]C1=CN=C(OCC)N=C1 AC8964 [0,2,0,0,0,0|2,0,0]=4 575 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [0,2,0,0,0,0|2,0,0]=4 576 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [0,2,0,0,0,0|1,0,0]=3 577 B10R1.3 CCC1=CN=C(CCl)C=C1 94422 [0,2,0,0,0,0|1,0,0]=3 578 B10R1.3 CCC1=CN=C(CO)C=C1 94421 [0,2,0,0,0,0|1,0,0]=3 579 B10R1.3 CCC1=NC=C(CN)C=N1 81406 [0,2,0,0,0,0|2,0,0]=4 580 B10R1.3 COC1=CN=C(CBr)C=C1 O10507 [0,2,0,0,0,0|2,0,0]=4 581 B10R1.3 COC1=CN=C(NN)C=C1 W15208 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.3 COC1=NC=C(CBr)C=C1 26302 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.3 COC1=NC=C(NN)N=C1 BL010282 [0,2,0,0,0,0|1,0,0]=3 584 B10R1.3 COC1=NC=C(SC)C=C1 F50803 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.3 CSC1=NC=C(C=O)C=C1 54709 [0,2,0,0,0,0|2,0,0]=4 586 B10R1.3 N#CC1=NC=C(CN)C=C1 20809 [0,2,0,0,0,0|2,0,0]=4 587 B10R1.3 N#CC1=NC=C(CN)C=C1 AT18624 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.3 N#CC1=NC=C(CO)C=C1 87746 [0,2,0,0,0,0|2,0,0]=4 589 B10R1.3 OCC1=CN=C(CO)C=C1 AC5585 [0,2,0,0,0,0|2,0,0]=4 590 B10R1.13 CC(C)C1=NC=C(N)C=N1 81917 [0,2,0,0,0,0|2,0,0]=4 591 B10R1.13 CC(C)C1=NN=C(Br)C=C1 C14147 [0,2,0,0,0,0|2,0,0]=4 592 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10705 [0,2,0,0,0,0|1,0,0]=3 593 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56573 [0,2,0,0,0,0|0,0,0]=2 594 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [0,2,0,0,0,0|1,0,0]=3 595 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [0,2,0,0,0,0|1,0,0]=3 596 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT10886 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT10887 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 C90363 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.13 CC1=NC=C([C@H](C)O)C=N1 AT10878 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.13 CN(C)C1=CN=C(I)C=N1 O11454 [0,2,0,0,0,0|1,0,0]=3 601 B10R1.13 CN(C)C1=NC=C(N)C=C1 D74940 [0,2,0,0,0,0|2,0,0]=4 602 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [0,2,0,0,0,0|2,0,0]=4 603 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [0,2,0,0,0,0|2,0,0]=4 604 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 N11221 [0,2,0,0,0,0|1,0,0]=3 605 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D81683 [0,2,0,0,0,0|1,0,0]=3 606 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y10703 [0,2,0,0,0,0|1,0,0]=3 607 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 90531 [0,2,0,0,0,0|1,0,0]=3 608 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N16973 [0,2,0,0,0,0|1,0,0]=3 609 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90529 [0,2,0,0,0,0|1,0,0]=3 610 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 91194 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 P12221 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [0,2,0,0,0,0|1,0,0]=3 613 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10690 [0,2,0,0,0,0|1,0,0]=3 614 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 73092 [0,2,0,0,0,0|2,0,0]=4 615 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 N13142 [0,2,0,0,0,0|1,0,1]=4 616 B10R1.13 NC1=NC=C(C(F)F)C=C1 W16938 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.25 CC1=C(CCl)C=CC(F)=N1 77960 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.25 CC1=C(CO)C=CC(Br)=N1 AT12929 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.25 CC1=C(CO)C=CC(Cl)=N1 F16741 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.25 CC1=CC(C)=NC=C1CN W16199 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.25 CC1=CN=C(CBr)C(C)=C1 O10504 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.25 CC1=CN=C(CN)C(C)=C1 D73748 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.25 CCC1=C(Br)C=C(Br)C=N1 F14393 [0,2,0,0,0,0|1,0,0]=3 624 B10R1.25 CCC1=C(N)C=C(F)C=C1 F20990 [0,2,0,0,0,0|2,0,0]=4 625 B10R1.25 CNC1=C(Cl)N=C(I)C=N1 N10094 [0,2,0,0,0,0|1,0,0]=3 626 B10R1.25 CNC1=CN=C(Br)C=C1C 96211 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.25 CNC1=CN=C(Br)C=C1N 53659 [0,2,0,0,0,0|2,0,0]=4 628 B10R1.25 CNC1=CN=C(Cl)C=C1C 96215 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.25 CNC1=NC=C(C)C=C1N D75084 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.25 CNC1=NC=C(Cl)C=C1F N10103 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.25 COC1=C(Br)C=C(O)C=N1 C72194 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.25 COC1=C(C)N=C(N)C=C1 F53499 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.25 COC1=C(F)C=C(O)C=N1 91782 [0,2,0,0,0,0|2,0,0]=4 634 B10R1.25 COC1=C(I)C=C(C)N=C1 96426 [0,2,0,0,0,0|2,0,0]=4 635 B10R1.25 COC1=NC=C(Br)N=C1Br 86827 [0,2,0,0,0,0|1,0,0]=3 636 B10R1.25 COC1=NC=C(C)C=C1N D74381 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.25 COC1=NC=C(C)N=C1Br 93937 [0,2,0,0,0,0|1,0,0]=3 638 B10R1.25 COC1=NC=C(Cl)C=C1F N10102 [0,2,0,0,0,0|2,0,0]=4 639 B10R1.25 CSC1=NC=C(Br)C=C1C AT14138 [0,2,0,0,0,0|2,0,0]=4 640 B10R1.25 ClC1=CN=C(CBr)C(Cl)=C1 A51212 [0,2,0,0,0,0|2,0,0]=4 641 B10R1.25 ClCC1=C(Br)C=C(Cl)C=N1 BL010231 [0,2,0,0,0,0|2,0,0]=4 642 B10R1.25 FC1=CC(I)=C(CBr)C=N1 W17121 [0,2,0,0,0,0|2,0,0]=4 643 B10R1.25 NCC1=C(Br)C=C(Br)C=N1 C91443 [0,2,0,0,0,0|2,0,0]=4 644 B10R1.25 NCC1=C(Br)C=C(Cl)C=N1 C91442 [0,2,0,0,0,0|2,0,0]=4 645 B10R1.25 NCC1=C(F)C=C(F)C=N1 AC1076 [0,2,0,0,0,0|2,0,0]=4 646 B10R1.25 NCC1=C(F)C=C(F)C=N1 O10070 [0,2,0,0,0,0|2,0,0]=4 647 B10R1.25 NCC1=NC=C(Br)C=C1F P12061 [0,2,0,0,0,0|2,0,0]=4 648 B10R1.25 NCC1=NC=C(Cl)C=C1F W15622 [0,2,0,0,0,0|2,0,0]=4 649 B10R1.25 NCC1=NC=C(Cl)N=C1Cl W17941 [0,2,0,0,0,0|1,0,0]=3 650 B10R1.25 NNC1=C(Cl)N=C(Br)C=N1 E71743 [0,2,0,0,0,0|2,0,0]=4 651 B10R1.25 NNC1=NC=C(Cl)N=C1Br BL010277 [0,2,0,0,0,0|2,0,0]=4 652 B10R1.25 OCC1=C(Br)C=C(Br)C=N1 C14404 [0,2,0,0,0,0|2,0,0]=4 653 B10R1.25 OCC1=C(Cl)N=C(Br)C=C1 AT21654 [0,2,0,0,0,0|2,0,0]=4 654 B10R1.176 CC1=C(Br)C=C(CO)N=C1 81452 [0,2,0,0,0,0|2,0,0]=4 655 B10R1.176 CC1=C(Br)C=NC(CN)=C1 AC7093 [0,2,0,0,0,0|2,0,0]=4 656 B10R1.176 CC1=C(Br)C=NC(CO)=C1 C72572 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.176 CC1=C(F)C=C(CO)C=N1 C77142 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.176 CC1=C(F)C=CC(CO)=N1 O10128 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.176 CC1=CC(CCl)=CN=C1Cl 97209 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.176 CC1=CC(CO)=CN=C1C F53420 [0,2,0,0,0,0|2,0,0]=4 661 B10R1.176 CCC1=CC(N)=C(Br)C=N1 C14681 [0,2,0,0,0,0|1,0,0]=3 662 B10R1.176 CCC1=CC(N)=C(C)C=C1 F21363 [0,2,0,0,0,0|2,0,0]=4 663 B10R1.176 CCC1=CC(O)=C(F)C=C1 F30470 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.176 CCC1=NC(C)=C(O)C=C1 76361 [0,2,0,0,0,0|1,0,0]=3 666 B10R1.176 COC1=CC(I)=C(C)C=N1 AT12881 [0,2,0,0,0,0|2,0,0]=4 667 B10R1.176 COC1=NC(Cl)=C(I)C=C1 N10091 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.176 CSC1=CC(C)=C(Br)C=N1 AT14153 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.176 CSC1=NC(C)=C(Br)C=C1 AT14158 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.176 NC1=C(Cl)C=C(CO)C=N1 AT11640 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.176 NCC1=CC=C(Cl)C(Cl)=N1 D97054 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.176 NCC1=CN=C(Br)C(Cl)=C1 Y11680 [0,2,0,0,0,0|2,0,0]=4 673 B10R1.176 OCC1=CC(Br)=C(Cl)N=C1 AC7185 [0,2,0,0,0,0|2,0,0]=4 674 B10R1.176 OCC1=CC=C(O)C(Br)=N1 F53642 [0,2,0,0,0,0|2,0,0]=4 675 B10R1.176 OCC1=CN=C(Br)C(Cl)=C1 AT10810 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.176 OCC1=CN=C(Cl)C(F)=C1 D88117 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.2 CCC1=C(Br)C(C)=CC=C1 D85933 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.2 CCC1=CC=CC(Cl)=C1N W13802 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.2 CCC1=NC=NC(Cl)=C1Br F13813 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.2 CCC1=NC=NC(O)=C1Br F13817 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.2 CNC1=CN=CC(Br)=C1C AT12945 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.2 CNC1=NC=CC(Cl)=C1N C92709 [0,2,0,0,0,0|2,0,0]=4 683 B10R1.2 COC1=C(Cl)C(O)=CC=N1 FD10667 [0,2,0,0,0,0|2,0,0]=4 684 B10R1.2 COC1=CN=CC(F)=C1N 93259 [0,2,0,0,0,0|2,0,0]=4 685 B10R1.2 COC1=NC=CC(F)=C1N F53634 [0,2,0,0,0,0|2,0,0]=4 686 B10R1.2 COC1=NC=CC(I)=C1F N11837 [0,2,0,0,0,0|2,0,0]=4 687 B10R1.2 OCC1=CN=CC(Br)=C1Cl AT15942 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.8 CC1=CC(CCl)=NC(C)=C1 O10512 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.8 CCC1=CC(C)=CC(Br)=C1 C90915 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.8 CCC1=CC(Cl)=NC(C)=N1 76084 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.8 CCC1=CC(N)=NC(C)=N1 CS1422 [0,2,0,0,0,0|2,0,0]=4 692 B10R1.8 COC1=CC(I)=CC(Cl)=N1 N10142 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.8 NCC1=CC(Cl)=CC(Cl)=N1 C91444 [0,2,0,0,0,0|2,0,0]=4 694 B10R1.8 NCC1=CC(Cl)=CC(Cl)=N1 D81608 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.10 CC#CC1=CC=CC(Cl)=N1 94007 [0,2,0,0,0,0|1,0,1]=4 696 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [0,2,0,0,0,0|1,0,0]=3 697 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [0,2,0,0,0,0|1,0,0]=3 698 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.10 CCNC1=CN=CC(Cl)=N1 F15512 [0,2,0,0,0,0|0,0,0]=2 702 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.10 CCOC1=NC(N)=NC=C1 AT18300 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.10 CCOC1=NC=CC(Br)=N1 70402 [0,2,0,0,0,0|2,0,0]=4 705 B10R1.10 CCOC1=NC=CC(Cl)=N1 I11353 [0,2,0,0,0,0|2,0,0]=4 706 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [0,2,0,0,0,0|2,0,0]=4 707 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [0,2,0,0,0,0|1,0,0]=3 708 B10R1.10 CNCC1=NC=CC(Cl)=C1 CS1254 [0,2,0,0,0,0|1,0,0]=3 709 B10R1.10 COCC1=CC(N)=CC=C1 30379 [0,2,0,0,0,0|2,0,0]=4 710 B10R1.10 COCC1=NC=NC(N)=C1 92042 [0,2,0,0,0,0|2,0,0]=4 711 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [0,2,0,0,0,0|2,0,0]=4 712 B10R1.10 N#CCC1=CC(Cl)=CN=C1 93159 [0,2,0,0,0,0|1,0,1]=4 713 B10R1.10 N#CCC1=CC=CC(Cl)=N1 O10491 [0,2,0,0,0,0|1,0,1]=4 714 B10R1.10 NC1=CC(CCO)=NC=N1 AC8190 [0,2,0,0,0,0|2,0,0]=4 715 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [0,2,0,0,0,0|2,0,0]=4 716 B10R1.10 NNCC1=CC(Br)=CN=C1 P11105 [0,2,0,0,0,0|2,0,0]=4 717 B10R1.30 CC1=C(CO)N=C(Br)C=C1 AT18411 [0,2,0,0,0,0|2,0,0]=4 718 B10R1.30 CC1=CN=C(Cl)C(CO)=C1 D85930 [0,2,0,0,0,0|2,0,0]=4 719 B10R1.30 CC1=NC(CO)=C(F)C=C1 C91534 [0,2,0,0,0,0|2,0,0]=4 720 B10R1.30 CC1=NC=C(Br)C=C1CCl AC3206 [0,2,0,0,0,0|2,0,0]=4 721 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [0,2,0,0,0,0|2,0,0]=4 722 B10R1.30 CNC1=NC(C)=CC=C1N S10557 [0,2,0,0,0,0|2,0,0]=4 723 B10R1.30 COC1=C(Cl)C=CC(N)=N1 A12809 [0,2,0,0,0,0|2,0,0]=4 724 B10R1.30 COC1=C(I)C=CC(Cl)=N1 AT11606 [0,2,0,0,0,0|2,0,0]=4 725 B10R1.30 COC1=CC(Br)=CN=C1Br N12851 [0,2,0,0,0,0|2,0,0]=4 726 B10R1.30 ClC1=NC(CBr)=C(Br)C=C1 52492 [0,2,0,0,0,0|2,0,0]=4 727 B10R1.30 FC1=NC(CBr)=C(Br)C=C1 85647 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.30 FCC1=C(F)C=CC(Br)=N1 C92966 [0,2,0,0,0,0|2,0,0]=4 729 B10R1.30 NC1=CN=C(Cl)C(CO)=C1 D88075 [0,2,0,0,0,0|2,0,0]=4 730 B10R1.30 NC1=NC=C(Br)C=C1CO 26758 [0,2,0,0,0,0|2,0,0]=4 731 B10R1.30 NCC1=CC(Br)=CN=C1F P12283 [0,2,0,0,0,0|2,0,0]=4 732 B10R1.30 NCC1=CC(Br)=CN=C1N AC3840 [0,2,0,0,0,0|2,0,0]=4 733 B10R1.30 NCC1=CC(Cl)=CN=C1O 79398 [0,2,0,0,0,0|2,0,0]=4 734 B10R1.30 OCC1=C(F)C=CC(Cl)=N1 A10682 [0,2,0,0,0,0|2,0,0]=4 735 B10R1.30 OCC1=CC(Br)=CN=C1F P11806 [0,2,0,0,0,0|2,0,0]=4 736 B10R1.30 OCC1=CC(F)=CN=C1Cl 85046 [0,2,0,0,0,0|2,0,0]=4 737 B10R1.30 OCC1=CC(F)=CN=C1F AT10048 [0,2,0,0,0,0|2,0,0]=4 738 B10R1.30 OCC1=NC(Br)=CN=C1Br 53048 [0,2,0,0,0,0|1,0,0]=3 739 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [0,2,0,0,0,0|1,0,1]=4 740 B10R1.113 CC(C)C1=NC=CC(Cl)=N1 W12563 [0,2,0,0,0,0|2,0,0]=4 741 B10R1.113 CC1=CC(C(F)F)=NC=C1 C91253 [0,2,0,0,0,0|2,0,0]=4 742 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [0,2,0,0,0,0|2,0,0]=4 743 B10R1.113 CC1=CC=CC(N(C)C)=N1 N10110 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 N13137 [0,2,0,0,0,0|1,0,0]=3 745 B10R1.113 CC1=NC=CC(C(C)C)=N1 O11252 [0,2,0,0,0,0|2,0,0]=4 746 B10R1.113 CN(C)C1=CC(Br)=CN=C1 N10343 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.113 CN(C)C1=CC=CC(F)=N1 AT20362 [0,2,0,0,0,0|2,0,0]=4 748 B10R1.113 CN(C)C1=NC=CC(Cl)=C1 C16301 [0,2,0,0,0,0|2,0,0]=4 749 B10R1.113 CN(N)C1=CC=CC(Br)=N1 95484 [0,2,0,0,0,0|2,0,0]=4 750 B10R1.113 C[C@H](Br)C1=CC(Cl)=CC=C1 55213 [0,2,0,0,0,0|2,0,0]=4 751 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=C1 55217 [0,2,0,0,0,0|2,0,0]=4 752 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=N1 55243 [0,2,0,0,0,0|1,0,0]=3 753 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 90822 [0,2,0,0,0,0|1,0,0]=3 754 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 90825 [0,2,0,0,0,0|1,0,0]=3 755 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N10537 [0,2,0,0,0,0|1,0,0]=3 756 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N13087 [0,2,0,0,0,0|1,0,0]=3 757 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90539 [0,2,0,0,0,0|1,0,0]=3 758 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90540 [0,2,0,0,0,0|1,0,0]=3 759 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70883 [0,2,0,0,0,0|2,0,0]=4 760 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y11581 [0,2,0,0,0,0|2,0,0]=4 761 B10R1.113 C[C@H](N)C1=CC=CC(N)=N1 D81409 [0,2,0,0,0,0|1,0,0]=3 762 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 F16880 [0,2,0,0,0,0|2,0,0]=4 763 B10R1.113 C[C@H](N)C1=NC=CC(Br)=C1 90526 [0,2,0,0,0,0|1,0,0]=3 764 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14934 [0,2,0,0,0,0|1,0,0]=3 765 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14935 [0,2,0,0,0,0|1,0,0]=3 766 B10R1.113 C[C@H](O)C1=CC(F)=CN=C1 AT10686 [0,2,0,0,0,0|1,0,0]=3 767 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1245 [0,2,0,0,0,0|2,0,0]=4 768 B10R1.113 C[C@H](O)C1=CC=CC(F)=N1 AT10689 [0,2,0,0,0,0|1,0,0]=3 769 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 59959 [0,2,0,0,0,0|2,0,0]=4 770 B10R1.113 C[C@H](O)C1=NC=CC(F)=C1 AT10691 [0,2,0,0,0,0|1,0,0]=3 771 B10R1.113 FC(F)C1=CC(Cl)=CN=C1 94167 [0,2,0,0,0,0|2,0,0]=4 772 B10R1.113 FC1=NC(C(F)F)=CC=C1 E72212 [0,2,0,0,0,0|2,0,0]=4 773 B10R1.113 NC(=O)C1=CN=CC(Br)=N1 W17936 [0,2,0,0,0,0|1,0,1]=4 774 B10R1.172 BrCC1=CC=CC(CBr)=N1 AC6696 [0,2,0,0,0,0|2,0,0]=4 775 B10R1.172 BrCC1=CN=CC(CBr)=C1 C11061 [0,2,0,0,0,0|2,0,0]=4 776 B10R1.172 BrCC1=CN=CC(CBr)=C1 F30548 [0,2,0,0,0,0|2,0,0]=4 777 B10R1.172 C=CC1=CC=CC(OC)=N1 52911 [0,2,0,0,0,0|2,0,0]=4 778 B10R1.172 CCC1=CC=CC(C#N)=N1 87882 [0,2,0,0,0,0|1,0,0]=3 779 B10R1.172 CCC1=CC=CC(CO)=C1 D85939 [0,2,0,0,0,0|2,0,0]=4 780 B10R1.172 CCC1=NC=CC(CN)=C1 57083 [0,2,0,0,0,0|1,0,0]=3 781 B10R1.172 CNC1=NC=CC(CO)=C1 AT18191 [0,2,0,0,0,0|2,0,0]=4 782 B10R1.172 COC1=CC(CCl)=CN=C1 81942 [0,2,0,0,0,0|2,0,0]=4 783 B10R1.172 COC1=CC=CC(CCl)=N1 81766 [0,2,0,0,0,0|2,0,0]=4 784 B10R1.172 COC1=NC(CN)=CC=C1 79028 [0,2,0,0,0,0|2,0,0]=4 785 B10R1.172 COC1=NC(NN)=CC=C1 F16103 [0,2,0,0,0,0|2,0,0]=4 786 B10R1.172 COC1=NC(NN)=CN=C1 BL010288 [0,2,0,0,0,0|1,0,0]=3 787 B10R1.172 COC1=NC=CC(CCl)=C1 P17364 [0,2,0,0,0,0|2,0,0]=4 788 B10R1.172 COC1=NC=CC(SC)=C1 F50801 [0,2,0,0,0,0|2,0,0]=4 789 B10R1.172 CSC1=CN=CC(SC)=C1 H11054 [0,2,0,0,0,0|2,0,0]=4 790 B10R1.172 OCC1=CN=CC(CO)=C1 61754 [0,2,0,0,0,0|2,0,0]=4 791 B10R1.15 C#C[C@@H](O)C1=CN=CC=C1 AC5787 [0,2,0,0,0,0|1,0,1]=4 792 B10R1.15 C#C[C@@H](O)C1=NC=CC=C1 AC5788 [0,2,0,0,0,0|1,0,1]=4 793 B10R1.15 CCC(=O)C1=NC=CC=N1 D72036 [0,2,0,0,0,0|2,0,0]=4 794 B10R1.15 CCN(C)C1=NC=CC=C1 T72928 [0,2,0,0,0,0|1,0,0]=3 795 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [0,2,0,0,0,0|2,0,0]=4 796 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [0,2,0,0,0,0|1,0,0]=3 797 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [0,2,0,0,0,0|0,0,0]=2 798 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [0,2,0,0,0,0|0,0,0]=2 799 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [0,2,0,0,0,0|2,0,0]=4 800 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [0,2,0,0,0,0|2,0,0]=4 801 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [0,2,0,0,0,0|2,0,0]=4 802 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [0,2,0,0,0,0|2,0,0]=4 803 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [0,2,0,0,0,0|2,0,0]=4 804 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [0,2,0,0,0,0|2,0,0]=4 805 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [0,2,0,0,0,0|2,0,0]=4 806 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [0,2,0,0,0,0|1,0,1]=4 807 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [0,2,0,0,0,0|1,0,1]=4 808 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [0,2,0,0,0,0|1,0,0]=3 809 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [0,2,0,0,0,0|1,0,0]=3 810 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [0,2,0,0,0,0|1,0,0]=3 811 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [0,2,0,0,0,0|1,0,0]=3 812 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [0,2,0,0,0,0|1,0,0]=3 813 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [0,2,0,0,0,0|1,0,1]=4 814 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [0,2,0,0,0,0|1,0,0]=3 815 B10R1.28 CC(C)(C)C1=NC=CC=C1 C75774 [0,2,0,0,0,0|1,0,0]=3 816 B10R1.28 CC(C)(C)C1=NC=CN=C1 T70779 [0,2,0,0,0,0|0,0,0]=2 817 B10R1.28 CC(C)(N)C1=NC=CC=N1 AT12626 [0,2,0,0,0,0|2,0,0]=4 818 B10R1.28 CC(C)(N)C1=NC=CC=N1 D75134 [0,2,0,0,0,0|2,0,0]=4 819 B10R1.28 CC(C)(O)C1=NC=CC=N1 AT18243 [0,2,0,0,0,0|2,0,0]=4 820 B10R1.28 ClC(Cl)(Cl)C1=CN=CC=C1 C71811 [0,2,0,0,0,0|2,0,0]=4 821 B10R1.28 ClC(Cl)(Cl)C1=NC=CC=C1 S11288 [0,2,0,0,0,0|2,0,0]=4 822 B10R1.28 O[B-](O)(O)C1=NC=CN=C1 A51296 [0,2,0,0,0,0|2,0,0]=4 823 B10R1.28 [2H]C(C)(C)C1=CC=CC=C1 D98007 [0,2,0,0,0,0|2,0,0]=4 824 B10R1.28 [2H]C([2H])(C)C1=CC=CC=C1 D99069 [0,2,0,0,0,0|2,0,0]=4 825 B10R1.28 [2H]C([2H])([2H])C1=NC=CC=C1 D98627 [0,2,0,0,0,0|2,0,0]=4 826 B10R1.28 [2H][C@@](C)(O)C1=CC=CC=C1 D98825 [0,2,0,0,0,0|2,0,0]=4 827 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [0,2,0,0,0,0|1,0,1]=4 828 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 86430 [0,2,0,0,0,0|1,0,1]=4 829 B10R1.61 CC(=O)C1=NC=CN=C1N P10974 [0,2,0,0,0,0|0,0,1]=3 830 B10R1.61 CC(C)C1=CN=CN=C1Cl H10240 [0,2,0,0,0,0|2,0,0]=4 831 B10R1.61 CC(C)C1=NC=CN=C1Cl AT24532 [0,2,0,0,0,0|0,0,0]=2 832 B10R1.61 CC(C)C1=NC=CN=C1N 60031 [0,2,0,0,0,0|0,0,0]=2 833 B10R1.61 CC(C)C1=NC=CN=C1N W15952 [0,2,0,0,0,0|0,0,0]=2 834 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [0,2,0,0,0,0|2,0,0]=4 835 B10R1.61 C[C@H](Br)C1=C(Cl)C=CC=C1 C77623 [0,2,0,0,0,0|2,0,0]=4 836 B10R1.61 C[C@H](Cl)C1=C(Cl)C=CC=C1 A11172 [0,2,0,0,0,0|2,0,0]=4 837 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70081 [0,2,0,0,0,0|1,0,0]=3 838 B10R1.61 C[C@H](N)C1=C(O)C=CC=N1 N14916 [0,2,0,0,0,0|1,0,0]=3 839 B10R1.61 C[C@H](N)C1=CC=CN=C1N P19332 [0,2,0,0,0,0|1,0,0]=3 840 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 C10363 [0,2,0,0,0,0|1,0,0]=3 841 B10R1.61 FC(F)C1=CC=CN=C1Br 79327 [0,2,0,0,0,0|2,0,0]=4 842 B10R1.4 CC1=CC=CN=C1CC#N C90297 [0,2,0,0,0,0|1,0,1]=4 843 B10R1.4 CC1=NC=CN=C1\C=N/O N10113 [0,2,0,0,0,0|1,0,1]=4 844 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [0,2,0,0,0,0|2,0,0]=4 845 B10R1.4 CCCC1=CN=CN=C1Cl F11792 [0,2,0,0,0,0|2,0,0]=4 846 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [0,2,0,0,0,0|2,0,0]=4 847 B10R1.4 CCNC1=CC=CN=C1O F30124 [0,2,0,0,0,0|1,0,0]=3 848 B10R1.4 CCNC1=NC=CC=C1N AC7989 [0,2,0,0,0,0|1,0,0]=3 849 B10R1.4 CCNC1=NC=CN=C1Cl AT24639 [0,2,0,0,0,0|0,0,0]=2 850 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [0,2,0,0,0,0|1,0,0]=3 851 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [0,2,0,0,0,0|1,0,0]=3 852 B10R1.4 CCOC1=C(N)N=CN=C1 O11423 [0,2,0,0,0,0|2,0,0]=4 853 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [0,2,0,0,0,0|1,0,0]=3 854 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [0,2,0,0,0,0|2,0,0]=4 855 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [0,2,0,0,0,0|2,0,0]=4 856 B10R1.4 CNCC1=C(F)C=CC=N1 P10655 [0,2,0,0,0,0|1,0,0]=3 857 B10R1.4 CNCC1=C(F)C=CC=N1 P20450 [0,2,0,0,0,0|1,0,0]=3 858 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [0,2,0,0,0,0|2,0,0]=4 859 B10R1.4 NC1=C(CCF)C=NC=C1 P14647 [0,2,0,0,0,0|1,0,0]=3 860 B10R1.4 NCCN1C=CC=NC1=O AT13871 [0,2,0,0,0,0|2,0,0]=4 861 B10R1.4 NCCN1C=NC=CC1=O AT13878 [0,2,0,0,0,0|2,0,0]=4 862 B10R1.4 O=C1C=CN=CN1CCO AT13876 [0,2,0,0,0,0|2,0,0]=4 863 B10R1.17 CCCCC1=CC=CN=N1 O10974 [0,2,0,0,0,0|2,0,0]=4 864 B10R1.17 CNCCC1=CC=CN=C1 C73747 [0,2,0,0,0,0|1,0,0]=3 865 B10R1.17 CNNCC1=NC=CC=C1 30190 [0,2,0,0,0,0|1,0,0]=3 866 B10R1.17 FCCNC1=CC=CC=C1 D77931 [0,2,0,0,0,0|2,0,0]=4 867 B10R1.17 NCCNC1=NC=CC=C1 O12009 [0,2,0,0,0,0|1,0,0]=3 868 B10R1.17 NCCNC1=NC=CC=N1 AT18241 [0,2,0,0,0,0|2,0,0]=4 869 B10R1.17 NCCOC1=NC=CC=N1 AT18221 [0,2,0,0,0,0|2,0,0]=4 870 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [0,2,0,0,0,0|2,0,0]=4 871 B10R1.17 NOCCC1=CC=CC=C1 C10179 [0,2,0,0,0,0|2,0,0]=4 872 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [0,2,0,0,0,0|1,0,0]=3 873 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [0,2,0,0,0,0|1,0,1]=4 874 B10R1.17 OCCCC1=CCC=CC1 72320 [0,2,0,0,0,0|2,0,0]=4 875 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [0,2,0,0,0,0|1,0,0]=3 876 B10R1.17 OCCNC1=NC=CC=N1 AT18240 [0,2,0,0,0,0|2,0,0]=4 877 B10R1.17 OCCOC1=NC=CC=C1 C90307 [0,2,0,0,0,0|1,0,0]=3 878 B10R1.17 SCCCC1=CN=CC=C1 F18019 [0,2,0,0,0,0|1,0,0]=3 879 B10R1.17 SCCCC1=NC=CC=C1 F18728 [0,2,0,0,0,0|1,0,0]=3 880 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [0,2,0,0,0,0|1,0,0]=3 881 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [0,2,0,0,0,0|2,0,0]=4 882 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [0,2,0,0,0,0|2,0,0]=4 883 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,2,0,0,0,0|1,0,0]=3 884 B10R1.20 CCC1=CC=CN=C1C#N 50481 [0,2,0,0,0,0|1,0,0]=3 885 B10R1.20 CNC1=C(OC)C=CC=N1 77471 [0,2,0,0,0,0|2,0,0]=4 886 B10R1.20 COC1=C(CN)C=CN=C1 P16442 [0,2,0,0,0,0|2,0,0]=4 887 B10R1.20 COC1=C(CN)N=CC=C1 O10088 [0,2,0,0,0,0|2,0,0]=4 888 B10R1.20 COC1=C(CO)C=CN=C1 P11879 [0,2,0,0,0,0|2,0,0]=4 889 B10R1.20 COC1=C(SC)C=CC=N1 F50798 [0,2,0,0,0,0|2,0,0]=4 890 B10R1.20 COC1=CC=CN=C1CCl 27916 [0,2,0,0,0,0|2,0,0]=4 891 B10R1.20 COC1=NC=CC=C1CN 36590 [0,2,0,0,0,0|2,0,0]=4 892 B10R1.20 COC1=NC=CN=C1C=O P10873 [0,2,0,0,0,0|1,0,0]=3 893 B10R1.20 COC1=NC=CN=C1CN C71765 [0,2,0,0,0,0|1,0,0]=3 894 B10R1.20 N#CC1=NC=CC=C1CN 92898 [0,2,0,0,0,0|2,0,0]=4 895 B10R1.20 NNC1=C(CO)C=CC=N1 D77554 [0,2,0,0,0,0|2,0,0]=4 896 B10R1.245 COC1=C(Cl)C=CN=C1F 91699 [0,2,0,0,0,0|2,0,0]=4 897 B10R1.245 COC1=C(I)C=CN=C1Cl AT13793 [0,2,0,0,0,0|2,0,0]=4 898 B10R1.245 COC1=C(I)C=CN=C1F AT19119 [0,2,0,0,0,0|2,0,0]=4 899 B10R1.245 COC1=C(O)C=CN=C1F 91686 [0,2,0,0,0,0|2,0,0]=4 900 B10R1.245 NCC1=C(Cl)C=CN=C1N 81939 [0,2,0,0,0,0|2,0,0]=4 901 B10R1.245 OCC1=C(I)C=CN=C1Cl 77407 [0,2,0,0,0,0|2,0,0]=4 902 B10R2.6 C1=CN=C(C2CC2)N=C1 P12514 [0,1,0,1,0,0|2,0,0]=4 903 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [0,1,0,1,0,0|2,0,0]=4 904 B10R2.7 C1=CN=C2CNCC2=N1 F12463 [0,1,0,1,0,0|0,0,0]=2 905 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [0,1,0,1,0,0|1,0,0]=3 906 B10R2.7 C1=CN=C2NCCC2=N1 P20982 [0,1,0,1,0,0|0,0,0]=2 907 B10R2.7 C1=NC=C2CCNC2=N1 93647 [0,1,0,1,0,0|2,0,0]=4 908 B10R2.7 C1=NC=C2CCNC2=N1 C90715 [0,1,0,1,0,0|2,0,0]=4 909 B6R1.2 BrC1=CC=NS1 AT21099 [1,0,0,0,1,0|2,0,0]=4 910 B6R1.2 CC1=CN=CO1 C77581 [1,0,0,0,1,0|1,0,0]=3 911 B6R1.2 CC1=NC=CO1 O10838 [1,0,0,0,1,0|1,0,0]=3 912 B6R1.2 CC1=NSC=C1 AC6637 [1,0,0,0,1,0|1,0,0]=3 913 B6R1.2 ClC1=CSN=C1 F13704 [1,0,0,0,1,0|2,0,0]=4 914 B6R1.2 ClC1=NC=CO1 F20650 [1,0,0,0,1,0|2,0,0]=4 915 B6R1.2 ClC1=NC=NN1 O11392 [1,0,0,0,1,0|2,0,0]=4 916 B6R1.2 ClC1=NSC=C1 F19768 [1,0,0,0,1,0|2,0,0]=4 917 B6R1.2 ClC1=NSN=C1 AT12128 [1,0,0,0,1,0|2,0,0]=4 918 B6R1.2 NC1=CC=CS1 44128 [1,0,0,0,1,0|2,0,0]=4 919 B6R1.2 NC1=CC=CS1 F10359 [1,0,0,0,1,0|2,0,0]=4 920 B6R1.2 NC1=CC=NS1 W16800 [1,0,0,0,1,0|2,0,0]=4 921 B6R1.2 NC1=CNC=N1 P20245 [1,0,0,0,1,0|1,0,1]=4 922 B6R1.2 OC1=CON=C1 AT21052 [1,0,0,0,1,0|2,0,0]=4 923 B6R1.2 SC1=NC=CO1 AT18533 [1,0,0,0,1,0|2,0,0]=4