0 B8R1.8 C1=CN=C(CCC)[NH]1 AK-49074 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 CCCC1=NC=CS1 AK-60893 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.8 CCCN1C=CN=C1 AK111106 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 CCOC1=NC=CS1 AK-79313 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.8 CNCC1=CC=CS1 AK-16718 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.8 CNCC1=CSC=C1 AK-49561 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 ClCCC1=CN=CN1 AK-40927 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.8 N#CCC1=CC=CS1 AK-93470 [0,0,0,0,0,0|0,0,2]=2 8 B8R1.8 N#CCC1=CSC=C1 AK-58785 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.8 NCCC1=CC=CS1 AK-44822 [0,0,0,0,0,0|0,0,0]=0 10 B8R1.8 NCCC1=CN=CS1 AK140134 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.8 NCCC1=CNC=N1 AK-29414 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.8 NCCC1=CSC=C1 AK-28310 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.8 NCCC1=CSC=C1 AK-49962 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.8 NCCC1=NC=CN1 AK170004 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.8 NCCN1C=CC=C1 AK-34573 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.8 NCCN1C=CN=C1 AK-26623 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.8 NCCN1C=CN=C1 AK-33443 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.8 OCCC1=CC=CS1 AK-43981 [0,0,0,0,0,0|1,0,0]=1 19 B8R1.8 OCCC1=CN=CN1 AK144733 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.8 OCCC1=CSC=C1 AK-68259 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.8 OCCN1C=CN=C1 AK-63425 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.8 [NH]1C=C(C=N1)CCO AK-33792 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.1 BrCC1=CSC=N1 AK158849 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 BrCC1=NC=CN1 AK142906 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 C(#N)C1=NC=CS1 AK-24120 [1,0,0,0,0,0|1,0,2]=4 26 B7R1.1 C1=C(SC=C1)C#N AK-46367 [1,0,0,0,0,0|0,0,2]=3 27 B7R1.1 C1=C(SC=C1)C=O AK-26482 [1,0,0,0,0,0|1,0,1]=3 28 B7R1.1 C1=C(SC=N1)CO AK-23792 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.1 C1=CC=N[N]1CO AK-21910 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 C1=CSC(=N1)C=O AK-46309 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.1 C1=NC(=CS1)CO AK-23714 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.1 C=CC1=NC=CS1 AK251551 [1,0,0,0,0,0|1,0,2]=4 33 B7R1.1 CCC1=CC=CS1 AK-76635 [1,0,0,0,0,0|0,0,0]=1 34 B7R1.1 CCC1=NC=CN1 AK161825 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.1 CCC1=NN=CO1 AK-50871 [1,0,0,0,0,0|2,1,0]=4 36 B7R1.1 CCC1=NNC=N1 AK124531 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.1 CCN1C=CN=C1 AK-47598 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 CCN1N=CC=C1 AK-39994 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.1 CNC1=NC=CS1 AK-32595 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.1 COC1=CC=CS1 AK-60885 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.1 COC1=CSC=C1 AK-60944 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 COC1=NC=CS1 AK-46322 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.1 ClCC1=CN=CO1 AK143331 [1,0,0,0,0,0|2,1,0]=4 44 B7R1.1 ClCC1=CN=CS1 AK-94779 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.1 ClCC1=NC=CO1 AK-33839 [1,0,0,0,0,0|2,1,0]=4 46 B7R1.1 NCC1=CC=CN1 AK-39872 [1,0,0,0,0,0|1,0,0]=2 47 B7R1.1 NCC1=CC=CS1 AK-46394 [1,0,0,0,0,0|0,0,0]=1 48 B7R1.1 NCC1=CN=CO1 AK-25086 [1,0,0,0,0,0|1,1,0]=3 49 B7R1.1 NCC1=CN=CS1 AK-24530 [1,0,0,0,0,0|1,0,0]=2 50 B7R1.1 NCC1=CNC=C1 AK-67638 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.1 NCC1=CNC=N1 AK-33143 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.1 NCC1=CSC=C1 AK-28306 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 NCC1=CSC=C1 AK-48092 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.1 NCC1=NC=CO1 AK-48266 [1,0,0,0,0,0|1,1,0]=3 55 B7R1.1 NCC1=NC=CS1 AK-26128 [1,0,0,0,0,0|1,0,0]=2 56 B7R1.1 NCC1=NC=CS1 AK-95677 [1,0,0,0,0,0|1,0,0]=2 57 B7R1.1 NCC1=NNC=C1 AK-25875 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.1 NCC1=NNC=N1 AK199214 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 NNC1=NC=CS1 AK162847 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.1 O=CC1=CC=CN1 AK-25235 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.1 O=CC1=CN=CS1 AK-39378 [1,0,0,0,0,0|2,0,1]=4 62 B7R1.1 OCC1=CC=CS1 AK-93468 [1,0,0,0,0,0|1,0,0]=2 63 B7R1.1 OCC1=CC=NO1 AK-68490 [1,0,0,0,0,0|2,1,0]=4 64 B7R1.1 OCC1=CN=CO1 AK-25343 [1,0,0,0,0,0|2,1,0]=4 65 B7R1.1 OCC1=COC=C1 AK-46116 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.1 OCC1=CSC=C1 AK-36199 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.1 OCC1=NC=CN1 AK-44944 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.1 OCC1=NC=CO1 AK-29821 [1,0,0,0,0,0|2,1,0]=4 69 B7R1.1 OCC1=NOC=C1 AK-25087 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.7 CC1=CC=C(CCO)O1 AK684573 [0,1,0,0,0,0|1,1,0]=3 71 B9R1.7 CCCC1=CC=C(Br)S1 AK-89997 [0,1,0,0,0,0|1,0,0]=2 72 B9R1.7 IC1=CN(CCO)N=C1 AK145306 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.7 NC1=CC(CCC)=NO1 AK146146 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.7 NC1=CN(CCO)N=C1 AK-40971 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.7 NC1=NN(CCO)C=C1 AK-93992 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.7 NC1=NNC(CCC)=C1 AK-83429 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.11 BrCC(=O)C1=CC=CS1 AK-53454 [0,1,0,0,0,0|1,0,1]=3 78 B9R1.11 BrCC(C1=NC=CS1)=O AK-45640 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.11 CCC(C1=NC=CS1)=O AK113134 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.11 NC(C1=CC=CS1)CO AK684513 [0,1,0,0,0,0|1,0,0]=2 81 B9R1.11 O=C(C1=CC=CS1)OC AK-48323 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.12 CCCCC1=CC=CS1 AK142166 [0,1,0,0,0,0|1,0,0]=2 83 B9R1.12 CCOCC1=CC=CO1 AK119688 [0,1,0,0,0,0|1,1,0]=3 84 B9R1.12 N#CCCN1C=CC=C1 AK111457 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.13 CC(C)CC1=NC=CS1 AK114248 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.13 O=C(Cl)CC1=CC=CS1 AK-76957 [0,1,0,0,0,0|1,0,1]=3 87 B9R1.13 O=C(O)CC1=CC=CO1 AK126664 [0,1,0,0,0,0|1,1,1]=4 88 B9R1.33 C1=C([N](N=C1)CCO)N AK-29485 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.33 C1=NC(=C(S1)CCO)C AK-30249 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.33 CC1=C(\C=N\O)SC=C1 AK130710 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.33 CC1=NC=CN1CCN AK-55496 [0,1,0,0,0,0|3,0,0]=4 92 B9R2.2 C1(C2CC2)=NC=CN1 AK165338 [0,0,0,1,0,0|3,0,0]=4 93 B9R2.2 C1(C2CC2)=NNC=C1 AK-40938 [0,0,0,1,0,0|3,0,0]=4 94 B9R2.2 C1CC1N2C=CC=N2 AK100282 [0,0,0,1,0,0|3,0,0]=4 95 B9R2.3 C12=C(C=CS1)C=CN2 AK312022 [0,0,0,1,0,0|2,0,1]=4 96 B9R2.3 C1=CSC2=C1SC=C2 AK-32205 [0,0,0,1,0,0|1,0,2]=4 97 B9R2.3 C1CN2N=CC=C2C1 AK-40480 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [0,0,0,0,0,1|2,0,0]=3 99 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [0,0,0,0,0,1|2,0,0]=3 100 B9R1.8 C1=C(CCN)N=CC=C1 AK-73075 [0,0,0,0,0,1|1,0,0]=2 101 B9R1.8 C1=C(CNN)C=CC=C1 AK-72938 [0,0,0,0,0,1|2,0,0]=3 102 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [0,0,0,0,0,1|3,0,0]=4 103 B9R1.8 C1=CC=NN=C1OCC AK-50551 [0,0,0,0,0,1|3,0,0]=4 104 B9R1.8 CCCC1=CC=NC=C1 AK109267 [0,0,0,0,0,1|2,0,0]=3 105 B9R1.8 CCCC1=NC=CN=C1 AK305719 [0,0,0,0,0,1|2,0,0]=3 106 B9R1.8 CCNC1=CC=CN=C1 AK126739 [0,0,0,0,0,1|3,0,0]=4 107 B9R1.8 CCNC1=NC=CN=C1 AK159718 [0,0,0,0,0,1|3,0,0]=4 108 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [0,0,0,0,0,1|3,0,0]=4 109 B9R1.8 CCOC1=NN=CC=C1 AK-50365 [0,0,0,0,0,1|3,0,0]=4 110 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [0,0,0,0,0,1|3,0,0]=4 111 B9R1.8 CNCC1=CC=NC=C1 AK-36140 [0,0,0,0,0,1|3,0,0]=4 112 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [0,0,0,0,0,1|3,0,0]=4 113 B9R1.8 CNCC1=NC=CC=N1 AK-26868 [0,0,0,0,0,1|3,0,0]=4 114 B9R1.8 CNCC1=NC=CN=C1 AK-32984 [0,0,0,0,0,1|3,0,0]=4 115 B9R1.8 N#CCC1=CC=CN=C1 AK-44402 [0,0,0,0,0,1|1,0,2]=4 116 B9R1.8 NCCC1=CC=CN=C1 AK-45879 [0,0,0,0,0,1|1,0,0]=2 117 B9R1.8 NNCC1=CC=CN=C1 AK-50063 [0,0,0,0,0,1|2,0,0]=3 118 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [0,0,0,0,0,1|2,0,0]=3 119 B9R1.8 OCCC1=CN=CN=C1 AK-32465 [0,0,0,0,0,1|3,0,0]=4 120 B9R1.8 OCCC1=NC=CN=C1 AK-45393 [0,0,0,0,0,1|2,0,0]=3 121 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [0,0,0,0,0,1|3,0,0]=4 122 B9R1.8 ONCC1=CC=CC=C1 AK110567 [0,0,0,0,0,1|3,0,0]=4 123 B6R1.2 BrC1=NC=CS1 AK130463 [2,0,0,0,0,0|2,0,0]=4 124 B6R1.2 C1=C(Br)SC=N1 AK-22153 [2,0,0,0,0,0|2,0,0]=4 125 B6R1.2 C1=C(N=CS1)C AK-27071 [2,0,0,0,0,0|2,0,0]=4 126 B6R1.2 C1=C([NH]N=C1)C AK-47298 [2,0,0,0,0,0|2,0,0]=4 127 B6R1.2 C1=CN=C(Cl)S1 AK-21986 [2,0,0,0,0,0|2,0,0]=4 128 B6R1.2 C1=CN=C([NH]1)N AK-25424 [2,0,0,0,0,0|2,0,0]=4 129 B6R1.2 C1=CSC(=N1)C AK-25844 [2,0,0,0,0,0|1,0,0]=3 130 B6R1.2 C1=N[NH]C(=C1)N AK-23634 [2,0,0,0,0,0|2,0,0]=4 131 B6R1.2 CC1=CN=CS1 AK-40769 [2,0,0,0,0,0|1,0,0]=3 132 B6R1.2 CC1=CNC=C1 AK-59534 [2,0,0,0,0,0|2,0,0]=4 133 B6R1.2 CC1=NC=CN1 AK-76902 [2,0,0,0,0,0|2,0,0]=4 134 B6R1.2 IC1=CC=CS1 AK-77599 [2,0,0,0,0,0|1,0,0]=3 135 B6R1.2 N1=CC=C([NH]1)N AK-36860 [2,0,0,0,0,0|2,0,0]=4 136 B6R1.2 NC1=CC=NO1 AK-46390 [2,0,0,0,0,0|1,1,0]=4 137 B6R1.2 NC1=CN=CN1 AK110462 [2,0,0,0,0,0|2,0,0]=4 138 B6R1.2 NC1=CN=NS1 AK-68792 [2,0,0,0,0,0|2,0,0]=4 139 B6R1.2 NC1=CSC=N1 AK142332 [2,0,0,0,0,0|2,0,0]=4 140 B6R1.2 NC1=NC=CN1 AK112047 [2,0,0,0,0,0|2,0,0]=4 141 B6R1.2 NC1=NC=CO1 AK-25998 [2,0,0,0,0,0|1,1,0]=4 142 B6R1.2 NC1=NC=CS1 AK-44151 [2,0,0,0,0,0|1,0,0]=3 143 B6R1.2 NC1=NC=CS1 AK112070 [2,0,0,0,0,0|1,0,0]=3 144 B6R1.2 NC1=NC=NS1 AK136080 [2,0,0,0,0,0|2,0,0]=4 145 B6R1.2 NC1=NN=CS1 AK-31974 [2,0,0,0,0,0|2,0,0]=4 146 B6R1.2 NC1=NOC=C1 AK-25502 [2,0,0,0,0,0|2,0,0]=4 147 B6R1.2 NN1C=CC=C1 AK-88561 [2,0,0,0,0,0|2,0,0]=4 148 B6R1.2 NN1N=CC=C1 AK-31764 [2,0,0,0,0,0|2,0,0]=4 149 B6R1.2 OC1=NC=CS1 AK-29553 [2,0,0,0,0,0|2,0,0]=4 150 B6R1.2 S1C(=CN=C1)N AK-28900 [2,0,0,0,0,0|1,0,0]=3 151 B6R1.2 S1C(=NC=N1)N AK-54916 [2,0,0,0,0,0|2,0,0]=4 152 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [0,1,1,0,0,0|1,1,0]=4 153 B8R1.1 BrC1=CC=C(S1)C#N AK-34110 [1,1,0,0,0,0|0,0,2]=4 154 B8R1.1 BrC1=NOC(=C1)CN AK-22028 [1,1,0,0,0,0|1,1,0]=4 155 B8R1.1 BrCC1=CN=C(Br)S1 AK-57693 [1,1,0,0,0,0|2,0,0]=4 156 B8R1.1 C1=C(SC(=C1)Br)C=O AK-35268 [1,1,0,0,0,0|1,0,1]=4 157 B8R1.1 C1=C(SC(=N1)Br)CO AK-23617 [1,1,0,0,0,0|2,0,0]=4 158 B8R1.1 CC1=CC=C(S1)C=O AK-30245 [1,1,0,0,0,0|1,0,1]=4 159 B8R1.1 CC1=CN=C(CC)N1 AK161824 [1,1,0,0,0,0|2,0,0]=4 160 B8R1.1 CC1=CSC(CC)=N1 AK114234 [1,1,0,0,0,0|1,0,0]=3 161 B8R1.1 CC1=NC=C(CBr)S1 AK143697 [1,1,0,0,0,0|2,0,0]=4 162 B8R1.1 CCC1=CC=C(C)S1 AK103790 [1,1,0,0,0,0|0,0,0]=2 163 B8R1.1 CCN1N=CC(Br)=C1 AK-61918 [1,1,0,0,0,0|2,0,0]=4 164 B8R1.1 ClC1=CC=C(S1)C#C AK-59107 [1,1,0,0,0,0|0,0,2]=4 165 B8R1.1 ClC1=CSC(=C1)C#N AK-78287 [1,1,0,0,0,0|0,0,2]=4 166 B8R1.1 ClC1=NC=C(S1)CN AK-22135 [1,1,0,0,0,0|1,0,0]=3 167 B8R1.1 ClC1=NC=C(S1)CN AK-24052 [1,1,0,0,0,0|1,0,0]=3 168 B8R1.1 ClCC1=CC=C(Cl)S1 AK112065 [1,1,0,0,0,0|1,0,0]=3 169 B8R1.1 IC1=CSC(C=O)=C1 AK-82084 [1,1,0,0,0,0|1,0,1]=4 170 B8R1.1 N#CC1=CC(N)=CS1 AK128560 [1,1,0,0,0,0|0,0,2]=4 171 B8R1.1 N#CC1=CC=C(C)S1 AK128470 [1,1,0,0,0,0|0,0,2]=4 172 B8R1.1 N#CC1=CC=C(N)S1 AK128561 [1,1,0,0,0,0|0,0,2]=4 173 B8R1.1 NC1=CC(CC)=NN1 AK-31629 [1,1,0,0,0,0|2,0,0]=4 174 B8R1.1 NC1=CC(CC)=NO1 AK-86600 [1,1,0,0,0,0|2,0,0]=4 175 B8R1.1 NC1=NC=C(CC)S1 AK112702 [1,1,0,0,0,0|1,0,0]=3 176 B8R1.1 NC1=NOC(CC)=C1 AK173167 [1,1,0,0,0,0|1,1,0]=4 177 B8R1.1 NCC1=CC(Br)=CS1 AK-77634 [1,1,0,0,0,0|0,0,0]=2 178 B8R1.1 NCC1=CC=C(Br)S1 AK-68661 [1,1,0,0,0,0|0,0,0]=2 179 B8R1.1 NCC1=CC=C(Cl)S1 AK170725 [1,1,0,0,0,0|0,0,0]=2 180 B8R1.1 NCC1=CN=C(Br)S1 AK164387 [1,1,0,0,0,0|1,0,0]=3 181 B8R1.1 NCC1=COC(C)=N1 AK668192 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.1 NCC1=NOC(C)=C1 AK153364 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.1 O=CC1=CC(Br)=CS1 AK-33867 [1,1,0,0,0,0|1,0,1]=4 184 B8R1.1 O=CC1=CC=C(Cl)S1 AK-48469 [1,1,0,0,0,0|1,0,1]=4 185 B8R1.1 OCC1=CC(Br)=CS1 AK-36412 [1,1,0,0,0,0|1,0,0]=3 186 B8R1.1 OCC1=CC=C(C)O1 AK135169 [1,1,0,0,0,0|1,1,0]=4 187 B8R1.1 OCC1=CN=C(N)S1 AK-57568 [1,1,0,0,0,0|2,0,0]=4 188 B8R1.1 OCC1=CN=C(N)S1 AK164238 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.1 OCC1=NC=C(C)S1 AK-48006 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.7 C1=CSC(=N1)C(C)=O AK-46781 [1,1,0,0,0,0|1,0,1]=4 191 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [1,1,0,0,0,0|1,0,1]=4 192 B8R1.7 CC(C1=CC=CO1)C AK120816 [1,1,0,0,0,0|0,1,0]=3 193 B8R1.7 CC(C1=NC=CN1)C AK106223 [1,1,0,0,0,0|2,0,0]=4 194 B8R1.7 CC(N)C1=NC=CS1 AK-77903 [1,1,0,0,0,0|1,0,0]=3 195 B8R1.7 CC(N)C1=NC=CS1 AK-77904 [1,1,0,0,0,0|1,0,0]=3 196 B8R1.7 CC(N1N=CC=C1)C AK-61646 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.7 C[C@@H](N)C1=NC=CS1 AK153996 [1,1,0,0,0,0|1,0,0]=3 198 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [1,1,0,0,0,0|0,1,0]=3 199 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [1,1,0,0,0,0|0,0,0]=2 200 B8R1.7 C[C@H](N)C1=NC=CS1 AK153993 [1,1,0,0,0,0|1,0,0]=3 201 B8R1.7 N=C(C1=NC=CS1)N AK-78239 [1,1,0,0,0,0|1,0,1]=4 202 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [1,1,0,0,0,0|1,0,1]=4 203 B8R1.7 OB(C1=CC=CS1)O AK-46314 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.7 S=C(C1=CC=CS1)N AK-40144 [1,1,0,0,0,0|0,0,1]=3 205 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [1,1,0,0,0,0|1,0,1]=4 206 B8R1.11 BrC1=C(SC=N1)CO AK-24335 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.11 CCN1N=CC=C1N AK-57067 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.11 CN1C=CN=C1CN AK-38431 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.11 N#CC1=C(Br)C=CS1 AK-79307 [1,1,0,0,0,0|0,0,2]=4 210 B8R1.11 NCC1=CC=CN1C AK-44946 [1,1,0,0,0,0|1,0,0]=3 211 B8R1.11 NCC1=CC=NN1C AK-76608 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.11 O=CC1=C(Br)C=CS1 AK-36900 [1,1,0,0,0,0|1,0,1]=4 213 B8R1.11 OCC1=C(Br)C=CS1 AK327707 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.1 C1=C(C=CC(=C1)Br)CCO AK-35260 [0,1,0,0,0,1|2,0,0]=4 215 B10R1.1 C1=C(C=CC(=C1)O)CCN AK-47332 [0,1,0,0,0,1|1,0,0]=3 216 B10R1.1 C1=CC(=CC=C1CCO)I AK-40186 [0,1,0,0,0,1|2,0,0]=4 217 B10R1.1 C1=CC(=CC=C1CCO)O AK-35340 [0,1,0,0,0,1|2,0,0]=4 218 B10R1.1 CC1=CC=C(CCN)C=C1 AK-49684 [0,1,0,0,0,1|1,0,0]=3 219 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [0,1,0,0,0,1|2,0,0]=4 220 B10R1.1 ClC1=CC=C(CCBr)C=C1 AK-35996 [0,1,0,0,0,1|2,0,0]=4 221 B10R1.1 ClC1=CC=C(CCN)C=C1 AK-72548 [0,1,0,0,0,1|1,0,0]=3 222 B10R1.1 ClC1=CC=C(CCO)C=C1 AK-86505 [0,1,0,0,0,1|2,0,0]=4 223 B10R1.1 FC1=CC=C(C=C1)CCBr AK-42361 [0,1,0,0,0,1|2,0,0]=4 224 B10R1.1 FC1=CC=C(CCO)C=C1 AK-51236 [0,1,0,0,0,1|2,0,0]=4 225 B10R1.1 NC1=CC=C(CCO)C=C1 AK-47701 [0,1,0,0,0,1|2,0,0]=4 226 B10R1.1 NCCC1=CC=C(Br)C=C1 AK-50627 [0,1,0,0,0,1|1,0,0]=3 227 B10R1.1 NCCC1=CC=C(N)C=C1 AK-45820 [0,1,0,0,0,1|1,0,0]=3 228 B10R1.1 NNCC1=CC=C(Cl)C=C1 AK132927 [0,1,0,0,0,1|2,0,0]=4 229 B10R1.1 NNCC1=CC=C(F)C=C1 AK128817 [0,1,0,0,0,1|2,0,0]=4 230 B10R1.1 NOCC1=CC=C(F)C=C1 AK-86671 [0,1,0,0,0,1|2,0,0]=4 231 B10R1.1 OC1=CC=C(CCBr)C=C1 AK-59257 [0,1,0,0,0,1|2,0,0]=4 232 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [0,1,0,0,0,1|2,0,0]=4 233 B10R1.1 OCCC1=CC=C(C)N=C1 AK-28132 [0,1,0,0,0,1|2,0,0]=4 234 B10R1.4 BrC1=CC=CC=C1CCO AK-70908 [0,1,0,0,0,1|2,0,0]=4 235 B10R1.4 CC1=CC=CC=C1CCO AK117334 [0,1,0,0,0,1|2,0,0]=4 236 B10R1.4 ClC1=CC=CC=C1CCO AK-45697 [0,1,0,0,0,1|2,0,0]=4 237 B10R1.4 FC1=CC=CC=C1CCN AK-98141 [0,1,0,0,0,1|1,0,0]=3 238 B10R1.4 NC1=CC=CC=C1CCN AK-88349 [0,1,0,0,0,1|1,0,0]=3 239 B10R1.4 NCCC1=C(Cl)C=CC=C1 AK-57465 [0,1,0,0,0,1|1,0,0]=3 240 B10R1.4 NCCC1=CC=CC=C1Br AK-47292 [0,1,0,0,0,1|1,0,0]=3 241 B10R1.4 NNCC1=CC=CC=C1F AK-35444 [0,1,0,0,0,1|2,0,0]=4 242 B10R1.4 NOCC1=CC=CC=C1F AK-69176 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.4 OC1=CC=CC=C1CCN AK114741 [0,1,0,0,0,1|1,0,0]=3 244 B10R1.4 OCCC1=CC=CC=C1I AK149280 [0,1,0,0,0,1|2,0,0]=4 245 B10R1.4 OCCC1=CC=CC=C1N AK-35531 [0,1,0,0,0,1|2,0,0]=4 246 B10R1.10 BrC1=CC(CCO)=CC=C1 AK-40057 [0,1,0,0,0,1|2,0,0]=4 247 B10R1.10 BrCCC1=CC(Br)=CC=C1 AK142066 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.10 C1=C(C=CC=C1Cl)CCO AK-46667 [0,1,0,0,0,1|2,0,0]=4 249 B10R1.10 CC1=CC(CCCl)=CC=C1 AK162876 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.10 CC1=CC=CC(CCO)=C1 AK-87226 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.10 NCCC1=CC=CC(Br)=C1 AK-44011 [0,1,0,0,0,1|1,0,0]=3 252 B10R1.10 NCCC1=CC=CC(Cl)=C1 AK-57464 [0,1,0,0,0,1|1,0,0]=3 253 B10R1.10 NCCC1=CC=CC(F)=C1 AK-41691 [0,1,0,0,0,1|1,0,0]=3 254 B10R1.10 NNCC1=CC=CC(Cl)=C1 AK163398 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.10 OC1=CC=CC(CCN)=C1 AK-41280 [0,1,0,0,0,1|1,0,0]=3 256 B10R1.10 OCCC1=CC(F)=CC=C1 AK111050 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.10 OCCC1=NC(Br)=CC=C1 AK-57002 [0,1,0,0,0,1|2,0,0]=4 258 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [0,1,0,0,0,1|1,0,0]=3 259 B10R1.15 CC[C@@H](C1=NC=CC=C1)N AK544238 [0,1,0,0,0,1|2,0,0]=4 260 B10R1.15 CC[C@H](C1=NC=CC=C1)N AK668420 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [0,1,0,0,0,1|1,0,0]=3 262 B10R1.15 FC(C1=CC=CC=C1)CBr AK-93540 [0,1,0,0,0,1|2,0,0]=4 263 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [0,1,0,0,0,1|1,0,1]=4 264 B10R1.15 NCC(O)C1=NC=CC=C1 AK157200 [0,1,0,0,0,1|1,0,0]=3 265 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AK-45230 [0,1,0,0,0,1|1,0,0]=3 266 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 AK-96401 [0,1,0,0,0,1|1,0,0]=3 267 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [0,1,0,0,0,1|2,0,0]=4 268 B10R1.15 OC(C1=CC=CC=C1)CBr AK-76552 [0,1,0,0,0,1|2,0,0]=4 269 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [0,1,0,0,0,1|2,0,0]=4 271 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [0,1,0,0,0,1|2,0,0]=4 272 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [0,1,0,0,0,1|2,0,0]=4 273 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [0,1,0,0,0,1|2,0,0]=4 276 B10R1.17 CCNCC1=CC=NC=C1 AK-48167 [0,1,0,0,0,1|2,0,0]=4 277 B10R1.17 CCNCC1=NC=CC=C1 AK-82541 [0,1,0,0,0,1|2,0,0]=4 278 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [0,1,0,0,0,1|1,0,0]=3 279 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [0,1,0,0,0,1|1,0,0]=3 280 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [0,1,0,0,0,1|2,0,0]=4 281 B10R1.17 NCCCC1=CC=NC=C1 AK-81582 [0,1,0,0,0,1|1,0,0]=3 282 B10R1.17 NCCNC1=NC=CC=N1 AK-58765 [0,1,0,0,0,1|1,0,0]=3 283 B10R1.17 NCCOC1=CC=CN=C1 AK108382 [0,1,0,0,0,1|1,0,0]=3 284 B10R1.17 NCCOC1=CC=NC=C1 AK158871 [0,1,0,0,0,1|1,0,0]=3 285 B10R1.17 NCCOC1=NC=CC=C1 AK-86743 [0,1,0,0,0,1|1,0,0]=3 286 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [0,1,0,0,0,1|1,0,0]=3 287 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [0,1,0,0,0,1|2,0,0]=4 288 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [0,1,0,0,0,1|2,0,0]=4 289 B10R1.17 OCCCC1=CC=NC=C1 AK-73053 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.17 OCCCC1=NC=CC=C1 AK-82450 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.17 OCCSC1=NC=CC=C1 AK387693 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [0,1,0,0,0,1|1,0,1]=4 293 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [0,1,0,0,0,1|1,0,1]=4 294 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [0,1,0,0,0,1|1,0,1]=4 295 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [0,1,0,0,0,1|1,0,1]=4 296 B10R1.18 O=C(N)CC1=NC=CC=N1 AK133068 [0,1,0,0,0,1|1,0,1]=4 297 B10R1.14 CC[C@H](C1=CC=C(C)O1)N AK172686 [0,2,0,0,0,0|1,1,0]=4 298 B10R1.16 CCOCC1=CN=C(Cl)S1 AK-52717 [0,2,0,0,0,0|2,0,0]=4 299 B10R1.94 OCCC1=C(C)[N+](C)=CS1 AK391316 [0,2,0,0,0,0|2,0,0]=4 300 B10R1.23 O=C(O)[C@H](N)C1=CC=CS1 AK162653 [0,2,0,0,0,0|1,0,1]=4 301 B10R1.21 CCCCCC1=CC=CS1 AK117060 [0,2,0,0,0,0|1,0,0]=3 302 B10R1.66 O=C(O)CCC1=CC=CN1 AK-35080 [0,2,0,0,0,0|2,0,0]=4 303 B10R2.7 C12=C(NCC1)C=CC=C2 AK-49832 [0,0,0,1,0,1|1,0,0]=3 304 B10R2.7 C12=NC=CC=C1CCN2 AK-23969 [0,0,0,1,0,1|1,0,0]=3 305 B10R2.7 C1=CC=CC2=C1CCO2 AK-35322 [0,0,0,1,0,1|2,0,0]=4 306 B10R2.7 C=12NCCC1C=CN=C2 AK-76917 [0,0,0,1,0,1|1,0,0]=3 307 B10R2.7 C=12NCCC1C=CN=C2 AK138671 [0,0,0,1,0,1|1,0,0]=3 308 B10R2.320 BrC1C2=CC=CC=C2C1 AK163275 [0,0,0,1,0,1|2,0,0]=4 309 B10R2.2 NC1=NC2=C(CCC2)S1 AK-72480 [0,1,0,1,0,0|2,0,0]=4 310 B10R2.2 O=C1NC2=C(C=CS2)N1 AK167547 [0,1,0,1,0,0|1,0,1]=4 311 B10R2.32 C1=CSC2=C1CCC2=O AK-38055 [0,1,0,1,0,0|1,0,1]=4