0 B7R1.1 BrCC1=CSC=N1 AK158849 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.1 BrCC1=NC=CN1 AK142906 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.1 C(#N)C1=NC=CS1 AK-24120 [0,0,0,0,0,0|2,1,1]=4 3 B7R1.1 C1=C(C#N)C=CS1 AK-50641 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.1 C1=C(N=CS1)C=O AK-23930 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.1 C1=C(SC=C1)C#N AK-46367 [0,0,0,0,0,0|1,1,1]=3 6 B7R1.1 C1=C(SC=C1)C=O AK-26482 [0,0,0,0,0,0|0,1,0]=1 7 B7R1.1 C1=C(SC=N1)CO AK-23792 [0,0,0,0,0,0|1,1,2]=4 8 B7R1.1 C1=C([NH]C=N1)C=O AK-41612 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.1 C1=CC=N[N]1CO AK-21910 [0,0,0,0,0,0|2,0,2]=4 10 B7R1.1 C1=CN=C(C=O)[NH]1 AK-49186 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.1 C1=CSC(=N1)C=O AK-46309 [0,0,0,0,0,0|1,1,0]=2 12 B7R1.1 C1=NC(=CS1)C#N AK-24730 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.1 C1=NC(=CS1)CO AK-23714 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.1 C=CC1=NC=CS1 AK251551 [0,0,0,0,0,0|2,1,0]=3 15 B7R1.1 CCC1=CC=CS1 AK-76635 [0,0,0,0,0,0|1,1,1]=3 16 B7R1.1 CCC1=NC=CN1 AK161825 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.1 CCC1=NN=CO1 AK-50871 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.1 CCN1N=CC=C1 AK-39994 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.1 CNC1=NC=CS1 AK-32595 [0,0,0,0,0,0|3,1,0]=4 20 B7R1.1 COC1=CC=CS1 AK-60885 [0,0,0,0,0,0|2,1,0]=3 21 B7R1.1 COC1=CSC=C1 AK-60944 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.1 COC1=NC=CS1 AK-46322 [0,0,0,0,0,0|3,1,0]=4 23 B7R1.1 ClCC1=CN=CO1 AK143331 [0,0,0,0,0,0|2,0,1]=3 24 B7R1.1 ClCC1=CN=CS1 AK-94779 [0,0,0,0,0,0|2,1,1]=4 25 B7R1.1 ClCC1=NC=CO1 AK-33839 [0,0,0,0,0,0|2,0,1]=3 26 B7R1.1 N#CC1=CNC=C1 AK-46080 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.1 N#CC1=CNC=N1 AK-35688 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.1 N#CC1=NC=CN1 AK-81383 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.1 NCC1=CC=CN1 AK-39872 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.1 NCC1=CC=CS1 AK-46394 [0,0,0,0,0,0|1,1,1]=3 31 B7R1.1 NCC1=CN=CO1 AK-25086 [0,0,0,0,0,0|2,0,1]=3 32 B7R1.1 NCC1=CN=CS1 AK-24530 [0,0,0,0,0,0|2,1,1]=4 33 B7R1.1 NCC1=CNC=C1 AK-67638 [0,0,0,0,0,0|3,0,1]=4 34 B7R1.1 NCC1=CNC=N1 AK-33143 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.1 NCC1=CSC=C1 AK-28306 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.1 NCC1=CSC=C1 AK-48092 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.1 NCC1=NC=CO1 AK-48266 [0,0,0,0,0,0|2,0,1]=3 38 B7R1.1 NCC1=NC=CS1 AK-26128 [0,0,0,0,0,0|2,1,1]=4 39 B7R1.1 NCC1=NC=CS1 AK-95677 [0,0,0,0,0,0|2,1,1]=4 40 B7R1.1 NCC1=NNC=C1 AK-25875 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.1 NNC1=NC=CS1 AK162847 [0,0,0,0,0,0|3,1,0]=4 42 B7R1.1 O=CC1=CC=CN1 AK-25235 [0,0,0,0,0,0|1,0,0]=1 43 B7R1.1 O=CC1=CN=CS1 AK-39378 [0,0,0,0,0,0|1,1,0]=2 44 B7R1.1 O=CC1=CNC=C1 AK-36182 [0,0,0,0,0,0|2,0,0]=2 45 B7R1.1 O=CC1=CNN=C1 AK-25836 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.1 O=CC1=CNN=C1 AK158761 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.1 O=CC1=CSC=C1 AK-42964 [0,0,0,0,0,0|2,0,0]=2 48 B7R1.1 OCC1=CC=CS1 AK-93468 [0,0,0,0,0,0|0,1,2]=3 49 B7R1.1 OCC1=CC=NO1 AK-68490 [0,0,0,0,0,0|1,0,2]=3 50 B7R1.1 OCC1=CN=CO1 AK-25343 [0,0,0,0,0,0|1,0,2]=3 51 B7R1.1 OCC1=COC=C1 AK-46116 [0,0,0,0,0,0|2,0,2]=4 52 B7R1.1 OCC1=CSC=C1 AK-36199 [0,0,0,0,0,0|2,0,2]=4 53 B7R1.1 OCC1=NC=CN1 AK-44944 [0,0,0,0,0,0|2,0,2]=4 54 B7R1.1 OCC1=NC=CO1 AK-29821 [0,0,0,0,0,0|1,0,2]=3 55 B7R1.1 OCC1=NOC=C1 AK-25087 [0,0,0,0,0,0|2,0,2]=4 56 B7R1.1 [NH]1C=CC(=N1)C#N AK-30564 [0,0,0,0,0,0|3,0,1]=4 57 B7R1.1 [NH]1C=CC(=N1)C=O AK-25900 [0,0,0,0,0,0|2,0,0]=2 58 B6R1.2 BrC1=NC=CN1 AK-60873 [1,0,0,0,0,0|3,0,0]=4 59 B6R1.2 BrC1=NC=CS1 AK130463 [1,0,0,0,0,0|2,1,0]=4 60 B6R1.2 BrC1=NOC=C1 AK-32851 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 BrC1=N[NH]C=C1 AK-23694 [1,0,0,0,0,0|3,0,0]=4 62 B6R1.2 C1=C(Br)SC=N1 AK-22153 [1,0,0,0,0,0|2,1,0]=4 63 B6R1.2 C1=C(Cl)[NH]C=N1 AK-39375 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 C1=C(N=CS1)C AK-27071 [1,0,0,0,0,0|2,0,1]=4 65 B6R1.2 C1=C([NH]C=N1)Br AK-29028 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 C1=C([NH]N=C1)C AK-47298 [1,0,0,0,0,0|2,0,1]=4 67 B6R1.2 C1=CN=C(Cl)S1 AK-21986 [1,0,0,0,0,0|2,1,0]=4 68 B6R1.2 C1=CN=C([NH]1)N AK-25424 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 C1=CSC(=N1)C AK-25844 [1,0,0,0,0,0|1,1,1]=4 70 B6R1.2 C1=CSC=C1I AK-73044 [1,0,0,0,0,0|3,0,0]=4 71 B6R1.2 C1=NC(=CS1)Br AK-23755 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 C1=NC=C(I)[NH]1 AH-10005 [1,0,0,0,0,0|3,0,0]=4 73 B6R1.2 C1=N[NH]C(=C1)N AK-23634 [1,0,0,0,0,0|3,0,0]=4 74 B6R1.2 CC1=CN=CS1 AK-40769 [1,0,0,0,0,0|1,1,1]=4 75 B6R1.2 CC1=CNC=C1 AK-59534 [1,0,0,0,0,0|2,0,1]=4 76 B6R1.2 CC1=NC=CN1 AK-76902 [1,0,0,0,0,0|2,0,1]=4 77 B6R1.2 CC1=NN=CO1 AK-50870 [1,0,0,0,0,0|2,0,1]=4 78 B6R1.2 ClC1=CC=NN1 AK132931 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 ClC1=CSC=N1 AK-23769 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 ClC1=NC=CN1 AK-60874 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 ClC1=NNC=C1 AK-64806 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 FC1=NC=CN1 AK143276 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 IC1=CC=CS1 AK-77599 [1,0,0,0,0,0|1,1,0]=3 84 B6R1.2 IC1=NNC=C1 AK-31094 [1,0,0,0,0,0|3,0,0]=4 85 B6R1.2 N1=CC=C([NH]1)N AK-36860 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.2 NC1=CC=NO1 AK-46390 [1,0,0,0,0,0|2,0,0]=3 87 B6R1.2 NC1=CN=CN1 AK110462 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 NC1=CSC=N1 AK142332 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 NC1=NC=CN1 AK112047 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 NC1=NC=CO1 AK-25998 [1,0,0,0,0,0|2,0,0]=3 91 B6R1.2 NC1=NC=CS1 AK-44151 [1,0,0,0,0,0|2,1,0]=4 92 B6R1.2 NC1=NC=CS1 AK112070 [1,0,0,0,0,0|2,1,0]=4 93 B6R1.2 NC1=NOC=C1 AK-25502 [1,0,0,0,0,0|3,0,0]=4 94 B6R1.2 NN1C=CC=C1 AK-88561 [1,0,0,0,0,0|3,0,0]=4 95 B6R1.2 NN1N=CC=C1 AK-31764 [1,0,0,0,0,0|3,0,0]=4 96 B6R1.2 O=C1CC=NN1 AK-90809 [1,0,0,0,0,0|2,0,1]=4 97 B6R1.2 O=C1NC=CN1 AK-45238 [1,0,0,0,0,0|2,0,0]=3 98 B6R1.2 O=C1NNC=C1 AK-58738 [1,0,0,0,0,0|2,0,0]=3 99 B6R1.2 O=C1NSC=C1 AK101140 [1,0,0,0,0,0|2,0,0]=3 100 B6R1.2 O=C1OCC=C1 AK163254 [1,0,0,0,0,0|0,0,1]=2 101 B6R1.2 O=C1OCCN1 AK-94050 [1,0,0,0,0,0|1,0,2]=4 102 B6R1.2 O=C1OCCO1 AK101077 [1,0,0,0,0,0|1,0,2]=4 103 B6R1.2 OC1=NC=CS1 AK-29553 [1,0,0,0,0,0|1,1,1]=4 104 B6R1.2 OC1=NNC=C1 AK-96005 [1,0,0,0,0,0|2,0,1]=4 105 B6R1.2 ON1N=CC=C1 AK115932 [1,0,0,0,0,0|2,0,1]=4 106 B6R1.2 S1C(=CN=C1)N AK-28900 [1,0,0,0,0,0|2,1,0]=4 107 B6R1.2 S=C1NC=CN1 AK134899 [1,0,0,0,0,0|2,1,0]=4 108 B8R1.1 BrC1=CC=C(S1)C#N AK-34110 [0,1,0,0,0,0|1,1,1]=4 109 B8R1.1 BrC1=NOC(=C1)CN AK-22028 [0,1,0,0,0,0|2,0,1]=4 110 B8R1.1 BrC1=NOC(C=O)=C1 AK-23688 [0,1,0,0,0,0|1,0,0]=2 111 B8R1.1 C1=C(C=N[N]1C)C=O AK-27714 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.1 C1=C(C=O)SC(=N1)Br AK-23611 [0,1,0,0,0,0|1,1,0]=3 113 B8R1.1 C1=C(N=C(S1)C)C=O AK-25586 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.1 C1=C(SC(=C1)Br)C=O AK-35268 [0,1,0,0,0,0|0,1,0]=2 115 B8R1.1 C1=C(SC(=N1)N)C=O AK-21788 [0,1,0,0,0,0|1,1,0]=3 116 B8R1.1 CC1=CC(C=O)=NN1 AK-98775 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.1 CC1=CC=C(S1)C=O AK-30245 [0,1,0,0,0,0|0,1,0]=2 118 B8R1.1 CC1=NC(C=O)=CO1 AK-68492 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.1 CC1=NOC(CBr)=C1 AK-86975 [0,1,0,0,0,0|2,0,1]=4 120 B8R1.1 CC1=NOC(CO)=C1 AK105202 [0,1,0,0,0,0|1,0,2]=4 121 B8R1.1 CCC1=CC=C(C)S1 AK103790 [0,1,0,0,0,0|1,1,1]=4 122 B8R1.1 COC1=CC(=NO1)N AK-25770 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.1 C[N]1C=CC(=N1)C=O AK-39769 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.1 ClC1=CC=C(S1)C#C AK-59107 [0,1,0,0,0,0|1,1,1]=4 125 B8R1.1 ClC1=CSC(=C1)C#N AK-78287 [0,1,0,0,0,0|1,1,1]=4 126 B8R1.1 ClCC1=CC=C(Cl)S1 AK112065 [0,1,0,0,0,0|1,1,1]=4 127 B8R1.1 IC1=CNC(C=O)=C1 AK-76715 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.1 IC1=CSC(C=O)=C1 AK-82084 [0,1,0,0,0,0|0,1,0]=2 129 B8R1.1 N#CC1=CC(Cl)=CN1 AK120657 [0,1,0,0,0,0|2,0,1]=4 130 B8R1.1 N#CC1=CC(N)=CS1 AK128560 [0,1,0,0,0,0|1,1,1]=4 131 B8R1.1 N#CC1=CC=C(Br)O1 AK145113 [0,1,0,0,0,0|1,0,1]=3 132 B8R1.1 N#CC1=CC=C(C)S1 AK128470 [0,1,0,0,0,0|1,1,1]=4 133 B8R1.1 N#CC1=CC=C(N)S1 AK128561 [0,1,0,0,0,0|1,1,1]=4 134 B8R1.1 NC1=NOC(CC)=C1 AK173167 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.1 NCC1=CC(Br)=CS1 AK-77634 [0,1,0,0,0,0|1,1,1]=4 136 B8R1.1 NCC1=CC=C(Br)S1 AK-68661 [0,1,0,0,0,0|1,1,1]=4 137 B8R1.1 NCC1=CC=C(Cl)S1 AK170725 [0,1,0,0,0,0|1,1,1]=4 138 B8R1.1 O=CC1=CC(Br)=CO1 AK-79028 [0,1,0,0,0,0|0,0,0]=1 139 B8R1.1 O=CC1=CC(Br)=CS1 AK-33867 [0,1,0,0,0,0|0,1,0]=2 140 B8R1.1 O=CC1=CC=C(Br)O1 AK-32379 [0,1,0,0,0,0|0,0,0]=1 141 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [0,1,0,0,0,0|0,0,0]=1 142 B8R1.1 O=CC1=CC=C(Cl)O1 AK158080 [0,1,0,0,0,0|0,0,0]=1 143 B8R1.1 O=CC1=CC=C(Cl)S1 AK-48469 [0,1,0,0,0,0|0,1,0]=2 144 B8R1.1 O=CC1=CN=C(C)O1 AK-25452 [0,1,0,0,0,0|1,0,0]=2 145 B8R1.1 O=CC1=CN=C(C)S1 AK-32616 [0,1,0,0,0,0|1,1,0]=3 146 B8R1.1 O=CC1=CN=C(Cl)S1 AK-45673 [0,1,0,0,0,0|1,1,0]=3 147 B8R1.1 O=CC1=CN=C(N)S1 AK-94752 [0,1,0,0,0,0|1,1,0]=3 148 B8R1.1 O=CC1=CSC(Br)=N1 AK-21791 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.1 O=CC1=CSC(C)=C1 AK138065 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.1 O=CC1=CSC(Cl)=C1 AK-50469 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.1 O=CC1=CSC(Cl)=N1 AK-40953 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.1 O=CC1=NC(Br)=CS1 AK-40945 [0,1,0,0,0,0|1,1,0]=3 153 B8R1.1 O=CC1=NOC(C)=C1 AK-35881 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.1 OCC1=CC(Br)=CS1 AK-36412 [0,1,0,0,0,0|0,1,2]=4 155 B8R1.1 OCC1=CC(Br)=NO1 AK-28028 [0,1,0,0,0,0|1,0,2]=4 156 B8R1.1 OCC1=CC=C(C)O1 AK135169 [0,1,0,0,0,0|0,0,2]=3 157 B8R1.1 OCC1=CN=C(C)O1 AK154941 [0,1,0,0,0,0|1,0,2]=4 158 B8R1.7 C1=C(B(O)O)OC=C1 AK-47548 [0,1,0,0,0,0|1,0,1]=3 159 B8R1.7 C1=C(C(=O)O)[NH]C=N1 AK-25282 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.7 C1=C([N+]([O-])=O)[NH]C=N1 AK-34599 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.7 C1=C([N+]([O-])=O)[NH]N=C1 AK-27124 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.7 C1=CC=N[N]1[N+](=O)[O-] AK-50064 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.7 C1=COC=C1C(O)=O AK-32276 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.7 C1=CSC(=N1)C(C)=O AK-46781 [0,1,0,0,0,0|1,1,0]=3 165 B8R1.7 C1=NC=C(S1)C(=O)O AK-27761 [0,1,0,0,0,0|1,1,0]=3 166 B8R1.7 C1=N[NH]C=C1C(O)=O AK-25877 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [0,1,0,0,0,0|1,0,0]=2 168 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [0,1,0,0,0,0|1,0,0]=2 169 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [0,1,0,0,0,0|2,0,0]=3 170 B8R1.7 CC(C1=CC=CO1)C AK120816 [0,1,0,0,0,0|1,0,1]=3 171 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [0,1,0,0,0,0|1,0,1]=3 172 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [0,1,0,0,0,0|1,1,1]=4 173 B8R1.7 N=C(C1=NC=CS1)N AK-78239 [0,1,0,0,0,0|2,1,0]=4 174 B8R1.7 N=C(N1N=CC=C1)N AK-27720 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.7 NC(=O)C1=COC=N1 AK-99961 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.7 NC(=O)C1=NC=NN1 AK-32575 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.7 O1C=CC(=N1)C(=O)O AK-27692 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.7 O1N=CC(=N1)C(=O)O AK-32069 [0,1,0,0,0,0|3,0,0]=4 179 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [0,1,0,0,0,0|1,0,0]=2 180 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [0,1,0,0,0,0|0,0,0]=1 181 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [0,1,0,0,0,0|0,1,0]=2 182 B8R1.7 O=C(C1=CC=NO1)O AK-25596 [0,1,0,0,0,0|1,0,0]=2 183 B8R1.7 O=C(C1=CC=NS1)O AK-94814 [0,1,0,0,0,0|1,1,0]=3 184 B8R1.7 O=C(C1=CCCC1)O AK-33463 [0,1,0,0,0,0|1,0,2]=4 185 B8R1.7 O=C(C1=CN=CO1)O AK-28732 [0,1,0,0,0,0|1,0,0]=2 186 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.7 O=C(C1=COC=N1)O AK-29026 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.7 O=C(C1=CSC=C1)O AK-46373 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.7 O=C(C1=CSC=N1)O AK-23931 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.7 O=C(C1=CSN=C1)O AK-84534 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.7 O=C(C1=NC=CN1)N AK139797 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.7 O=C(C1=NC=CO1)[O-] AK-93393 [0,1,0,0,0,0|1,0,0]=2 194 B8R1.7 O=C(C1=NNC=C1)N AK-27992 [0,1,0,0,0,0|2,0,0]=3 195 B8R1.7 O=C(C1=NNC=C1)O AK-29904 [0,1,0,0,0,0|2,0,0]=3 196 B8R1.7 O=C(C1CC=CC1)O AK-36334 [0,1,0,0,0,0|1,0,2]=4 197 B8R1.7 O=C([C@H]1NCC=C1)O AK-77612 [0,1,0,0,0,0|1,0,2]=4 198 B8R1.7 O=[N+](C1=CC=CN1)[O-] AK-77322 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.7 O=[N+](C1=NC=CN1)[O-] AK-28550 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.7 OB(C1=CC=CS1)O AK-46314 [0,1,0,0,0,0|1,1,1]=4 201 B8R1.7 OC(=O)C1=CNC=C1 AK-26450 [0,1,0,0,0,0|2,0,0]=3 202 B8R1.7 OC(=O)C1=CNN=N1 AK-28855 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.7 S1C=C(N=C1)C(C)=O AK-39395 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.7 S1C=CN=C1C(=O)O AK-21895 [0,1,0,0,0,0|1,1,0]=3 205 B8R1.7 S=C(C1=CC=CS1)N AK-40144 [0,1,0,0,0,0|0,2,0]=3 206 B8R1.7 [C@@H]1(NCC=C1)C(O)=O AK-45899 [0,1,0,0,0,0|1,0,2]=4 207 B8R1.7 [NH]1C=CN=C1C(=O)O AK-27693 [0,1,0,0,0,0|2,0,0]=3 208 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [0,1,0,0,0,0|0,1,0]=2 209 B8R1.7 [O-][N+](=O)C1=CNC=C1 AK-82340 [0,1,0,0,0,0|3,0,0]=4 210 B8R1.8 CNCC1=CC=CS1 AK-16718 [0,1,0,0,0,0|1,1,1]=4 211 B8R1.8 N#CCC1=CC=CS1 AK-93470 [0,1,0,0,0,0|1,1,1]=4 212 B8R1.8 NCCC1=CC=CS1 AK-44822 [0,1,0,0,0,0|1,1,1]=4 213 B8R1.8 OCCC1=CC=CS1 AK-43981 [0,1,0,0,0,0|0,1,2]=4 214 B8R1.11 BrC1=CSC=C1C=O AK-33868 [0,1,0,0,0,0|2,0,0]=3 215 B8R1.11 C1=CN=C(C=O)[N]1C AK-38404 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.11 C=CC1=C(C)N=CS1 AK306978 [0,1,0,0,0,0|2,1,0]=4 217 B8R1.11 CC1=C(C=O)N=CS1 AK-74018 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.11 CC1=C(SC=N1)C=O AK-36462 [0,1,0,0,0,0|1,1,0]=3 219 B8R1.11 CC1=N[NH]C=C1C=O AK-27719 [0,1,0,0,0,0|3,0,0]=4 220 B8R1.11 C[N]1C(=CC=N1)C=O AK-34470 [0,1,0,0,0,0|2,0,0]=3 221 B8R1.11 ClC1=C(SC=N1)C=O AK-24953 [0,1,0,0,0,0|1,1,0]=3 222 B8R1.11 N#CC1=C(Br)C=CS1 AK-79307 [0,1,0,0,0,0|1,1,1]=4 223 B8R1.11 NCC1=CC=CN1C AK-44946 [0,1,0,0,0,0|2,0,1]=4 224 B8R1.11 O=CC1=C(Br)C=CS1 AK-36900 [0,1,0,0,0,0|0,1,0]=2 225 B8R1.11 O=CC1=C(Br)SC=C1 AK129456 [0,1,0,0,0,0|2,0,0]=3 226 B8R1.11 O=CC1=C(C)NC=N1 AK117462 [0,1,0,0,0,0|2,0,0]=3 227 B8R1.11 O=CC1=C(Cl)SC=C1 AK141878 [0,1,0,0,0,0|2,0,0]=3 228 B8R1.11 O=CC1=C(I)SC=C1 AK143585 [0,1,0,0,0,0|2,0,0]=3 229 B8R1.11 OCC1=C(Br)C=CS1 AK327707 [0,1,0,0,0,0|0,1,2]=4 230 B8R1.2 BrCC1=CC=CN=C1 AK-44682 [0,0,0,0,0,1|2,0,1]=4 231 B8R1.2 BrCC1=CC=NC=C1 AK-40271 [0,0,0,0,0,1|2,0,1]=4 232 B8R1.2 BrCC1=NC=CC=C1 AK-78919 [0,0,0,0,0,1|2,0,1]=4 233 B8R1.2 BrCC1=NC=CN=C1 AK143784 [0,0,0,0,0,1|2,0,1]=4 234 B8R1.2 BrCC1=NC=NC=C1 AK109329 [0,0,0,0,0,1|2,0,1]=4 235 B8R1.2 BrCC1=NN=CC=C1 AK-77169 [0,0,0,0,0,1|2,0,1]=4 236 B8R1.2 C#CC1=CC=CN=C1 AK-39524 [0,0,0,0,0,1|2,0,1]=4 237 B8R1.2 C#CC1=CC=NC=C1 AK-32285 [0,0,0,0,0,1|2,0,1]=4 238 B8R1.2 C#CC1=CC=NC=C1 AK-61719 [0,0,0,0,0,1|2,0,1]=4 239 B8R1.2 C#CC1=NC=CN=C1 AK185335 [0,0,0,0,0,1|2,0,1]=4 240 B8R1.2 C(#C)C1=NC=CC=N1 AK-34927 [0,0,0,0,0,1|2,0,1]=4 241 B8R1.2 C1=C(N=CC=C1)C#C AK-39840 [0,0,0,0,0,1|2,0,1]=4 242 B8R1.2 C1=C(N=CC=N1)CN AK-23965 [0,0,0,0,0,1|2,0,1]=4 243 B8R1.2 C1=CN=CC=C1OC AK-54547 [0,0,0,0,0,1|3,0,0]=4 244 B8R1.2 C1=NC=C(N=C1)CO AK-45812 [0,0,0,0,0,1|1,0,2]=4 245 B8R1.2 CNC1=CC=CN=C1 AK-72893 [0,0,0,0,0,1|3,0,0]=4 246 B8R1.2 CNC1=NC=CC=N1 AK-27708 [0,0,0,0,0,1|3,0,0]=4 247 B8R1.2 COC1=CC=CN=C1 AK-76565 [0,0,0,0,0,1|3,0,0]=4 248 B8R1.2 COC1=CC=CN=N1 AK-28954 [0,0,0,0,0,1|3,0,0]=4 249 B8R1.2 CSC1=NC=CN=C1 AK-41535 [0,0,0,0,0,1|3,0,0]=4 250 B8R1.2 ClCC1=NC=CC=N1 AK-29240 [0,0,0,0,0,1|2,0,1]=4 251 B8R1.2 ICC1=CC=CC=C1 AK-54444 [0,0,0,0,0,1|2,0,1]=4 252 B8R1.2 N#CC1=CC=CC=C1 AK-49389 [0,0,0,0,0,1|2,0,1]=4 253 B8R1.2 N#CC1=CC=NC=C1 AK-76782 [0,0,0,0,0,1|2,0,1]=4 254 B8R1.2 N#CC1=CN=CC=C1 AK-76753 [0,0,0,0,0,1|2,0,1]=4 255 B8R1.2 N#CC1=NC=CC=C1 AK-76752 [0,0,0,0,0,1|2,0,1]=4 256 B8R1.2 N#CC1=NC=CN=C1 AK-47995 [0,0,0,0,0,1|2,0,1]=4 257 B8R1.2 N1=C(N=CC=C1)CN AK-23656 [0,0,0,0,0,1|2,0,1]=4 258 B8R1.2 N1=CN=C(C=C1)C=O AK-23925 [0,0,0,0,0,1|1,0,0]=2 259 B8R1.2 N1=CN=CC(=C1)C=O AK-25240 [0,0,0,0,0,1|2,0,0]=3 260 B8R1.2 NCC1=CC=NC=C1 AK-25866 [0,0,0,0,0,1|2,0,1]=4 261 B8R1.2 NCC1=CC=NC=C1 AK-50006 [0,0,0,0,0,1|2,0,1]=4 262 B8R1.2 NCC1=NC=CC=N1 AK-73144 [0,0,0,0,0,1|2,0,1]=4 263 B8R1.2 NCC1=NC=CN=C1 AK-50813 [0,0,0,0,0,1|2,0,1]=4 264 B8R1.2 NCC1=NC=NC=C1 AK-23966 [0,0,0,0,0,1|2,0,1]=4 265 B8R1.2 NNC1=CC=CC=C1 AK114548 [0,0,0,0,0,1|3,0,0]=4 266 B8R1.2 NNC1=CC=CN=C1 AK-40869 [0,0,0,0,0,1|3,0,0]=4 267 B8R1.2 NNC1=CC=CN=C1 AK-75799 [0,0,0,0,0,1|3,0,0]=4 268 B8R1.2 NNC1=CC=CN=N1 AK110987 [0,0,0,0,0,1|3,0,0]=4 269 B8R1.2 NNC1=CC=NC=C1 AK-51295 [0,0,0,0,0,1|3,0,0]=4 270 B8R1.2 NNC1=NC=CC=C1 AK-26026 [0,0,0,0,0,1|3,0,0]=4 271 B8R1.2 NNC1=NC=CC=N1 AK-81374 [0,0,0,0,0,1|3,0,0]=4 272 B8R1.2 NNC1=NC=CN=C1 AK-44383 [0,0,0,0,0,1|3,0,0]=4 273 B8R1.2 NOC1=CC=CC=C1 AK-77703 [0,0,0,0,0,1|3,0,0]=4 274 B8R1.2 O=CC1=CC=NC=C1 AK-50192 [0,0,0,0,0,1|1,0,0]=2 275 B8R1.2 OCC1=CC=CN=C1 AK-46173 [0,0,0,0,0,1|1,0,2]=4 276 B8R1.2 OCC1=CC=NC=C1 AK-44706 [0,0,0,0,0,1|1,0,2]=4 277 B8R1.2 OCC1=CC=NC=C1 AK175384 [0,0,0,0,0,1|1,0,2]=4 278 B8R1.2 OCC1=NC=CC=C1 AK-53905 [0,0,0,0,0,1|1,0,2]=4 279 B8R1.2 OCC1=NC=CC=N1 AK-25156 [0,0,0,0,0,1|1,0,2]=4 280 B8R1.2 OCC1=NC=NC=C1 AK-31889 [0,0,0,0,0,1|1,0,2]=4 281 B8R1.2 ONC1=CC=CC=C1 AK139965 [0,0,0,0,0,1|2,0,1]=4 282 B5R0.3 C=CC(NC)=O AK115593 [1,0,1,0,0,0|1,0,1]=4 283 B5R1.1 N1C=CN=C1 AK-68419 [2,0,0,0,0,0|2,0,0]=4 284 B5R1.1 N1N=CC=C1 AK-80047 [2,0,0,0,0,0|2,0,0]=4 285 B7R0.4 C\C=C\C=C\C([O-])=O AK-47286 [0,1,1,0,0,0|1,0,0]=3 286 B7R1.2 BrC1=CSC(=C1)C AK-28080 [1,1,0,0,0,0|0,1,1]=4 287 B7R1.2 C1=C(Br)SC(=C1)Br AK-46301 [1,1,0,0,0,0|1,1,0]=4 288 B7R1.2 C1=C(SC(=C1)Br)C AK-36324 [1,1,0,0,0,0|0,1,1]=4 289 B7R1.2 CC1=CC(Br)=NO1 AK-34396 [1,1,0,0,0,0|1,0,1]=4 290 B7R1.2 CC1=CC(N)=NO1 AK-32792 [1,1,0,0,0,0|1,0,1]=4 291 B7R1.2 CC1=NOC(N)=C1 AK-33327 [1,1,0,0,0,0|2,0,0]=4 292 B7R1.2 ClC1=CC=C(Cl)S1 AK112943 [1,1,0,0,0,0|1,1,0]=4 293 B7R1.2 ClC1=CC=C(I)S1 AK-82112 [1,1,0,0,0,0|1,1,0]=4 294 B7R1.2 O=C1C=C(NN1)N AK-40891 [1,1,0,0,0,0|2,0,0]=4 295 B7R1.2 O=C1CCC(O1)=O AK139125 [1,1,0,0,0,0|0,0,2]=4 296 B7R1.2 O=C1COC(C)=C1 AK142223 [1,1,0,0,0,0|0,0,2]=4 297 B7R1.2 O=C1NC(CO1)=O AK-80133 [1,1,0,0,0,0|1,0,1]=4 298 B7R1.2 O=C1NN(C)C=C1 AK-67583 [1,1,0,0,0,0|2,0,0]=4 299 B7R1.2 O=C1NNC(C)=C1 AK-25972 [1,1,0,0,0,0|2,0,0]=4 300 B7R1.2 O=C1NOC(C)=C1 AK158281 [1,1,0,0,0,0|1,0,1]=4 301 B7R1.2 O=C1OC(C)=CC1 AK601784 [1,1,0,0,0,0|0,0,1]=3 302 B7R1.4 BrC1=C(I)SC=C1 AK-81714 [1,1,0,0,0,0|1,1,0]=4 303 B7R1.4 C1=CC(=C(S1)Br)C AK-46588 [1,1,0,0,0,0|1,1,0]=4 304 B7R1.4 C1=CSC(=C1Br)Br AK-25755 [1,1,0,0,0,0|1,1,0]=4 305 B7R1.4 CC1=C(Br)C=NO1 AK112982 [1,1,0,0,0,0|1,0,1]=4 306 B7R1.4 ClC1=C(Br)C=CS1 AK-25922 [1,1,0,0,0,0|1,1,0]=4 307 B7R1.4 ClC1=C(Br)SC=C1 AK-93781 [1,1,0,0,0,0|1,1,0]=4 308 B7R1.4 O=C1C(O)=CCC1 AK-43709 [1,1,0,0,0,0|1,0,1]=4 309 B7R1.4 O=C1N(C)NC=C1 AK113037 [1,1,0,0,0,0|2,0,0]=4 310 B7R1.4 O=C1N(C)SC=C1 AK682465 [1,1,0,0,0,0|2,0,0]=4 311 B7R1.4 O=C1NC=CN1C AK317267 [1,1,0,0,0,0|2,0,0]=4 312 B7R1.14 O=S1(C=CCO1)=O AK-41034 [1,1,0,0,0,0|1,0,1]=4 313 B9R1.1 C1=C(C=CC(=C1)I)C=O AK-75599 [0,1,0,0,0,1|1,0,0]=3 314 B9R1.1 C1=NC(=CC=C1C=O)Br AK-25442 [0,1,0,0,0,1|1,0,0]=3 315 B9R1.1 C1=NC(=CC=C1C=O)Cl AK-25624 [0,1,0,0,0,1|1,0,0]=3 316 B9R1.1 C1=NC(=NC=C1C=O)N AK-28546 [0,1,0,0,0,1|2,0,0]=4 317 B9R1.1 CC1=CC=C(C=O)C=C1 AK-65210 [0,1,0,0,0,1|1,0,0]=3 318 B9R1.1 CC1=CN=C(C=C1)C=O AK-35332 [0,1,0,0,0,1|1,0,0]=3 319 B9R1.1 CC1=NC=C(C=C1)C=O AK-26076 [0,1,0,0,0,1|1,0,0]=3 320 B9R1.1 ClC1=CN=C(C=C1)C=O AK-44636 [0,1,0,0,0,1|1,0,0]=3 321 B9R1.1 ClC1=NC=C(C=O)C=N1 AK-29616 [0,1,0,0,0,1|2,0,0]=4 322 B9R1.1 ClC1=NC=C(C=O)N=C1 AK-87373 [0,1,0,0,0,1|1,0,0]=3 323 B9R1.1 FC1=NC=C(C=C1)C=O AK-25098 [0,1,0,0,0,1|1,0,0]=3 324 B9R1.1 O=CC1=CC=C(Br)C=C1 AK-80048 [0,1,0,0,0,1|1,0,0]=3 325 B9R1.1 O=CC1=CC=C(Cl)C=C1 AK-76679 [0,1,0,0,0,1|1,0,0]=3 326 B9R1.1 O=CC1=CC=C(F)C=C1 AK-84401 [0,1,0,0,0,1|1,0,0]=3 327 B9R1.1 O=CC1=CC=C(O)C=C1 AK-77323 [0,1,0,0,0,1|1,0,0]=3 328 B9R1.1 O=CC1=CN=C(C)N=C1 AK-36829 [0,1,0,0,0,1|2,0,0]=4 329 B9R1.1 O=CC1=CN=C(N)C=C1 AK114395 [0,1,0,0,0,1|1,0,0]=3 330 B9R1.1 O=CC1=CN=C(N)C=C1 AK125046 [0,1,0,0,0,1|1,0,0]=3 331 B9R1.1 O=CC1=CN=C(N)N=C1 AK118712 [0,1,0,0,0,1|2,0,0]=4 332 B9R1.1 O=CC1=CN=C(O)N=C1 AK199230 [0,1,0,0,0,1|2,0,0]=4 333 B9R1.1 O=CC1=NC=C(Br)C=C1 AK-27944 [0,1,0,0,0,1|1,0,0]=3 334 B9R1.1 O=CC1=NC=C(C)N=C1 AK-40389 [0,1,0,0,0,1|1,0,0]=3 335 B9R1.1 O=CC1=NC=C(F)C=C1 AK-34624 [0,1,0,0,0,1|1,0,0]=3 336 B9R1.1 O=CC1=NC=C(O)C=C1 AK-34625 [0,1,0,0,0,1|1,0,0]=3 337 B9R1.1 O=CC=1C=CC(NC1)=O AK-28718 [0,1,0,0,0,1|1,0,0]=3 338 B9R1.1 OC1=CC=C(C=C)C=C1 AK113778 [0,1,0,0,0,1|2,0,0]=4 339 B9R1.2 BrC1=CC(C=C)=CC=C1 AK-76367 [0,1,0,0,0,1|2,0,0]=4 340 B9R1.2 C1=CC=C(Br)N=C1C=O AK-25797 [0,1,0,0,0,1|1,0,0]=3 341 B9R1.2 C1=NC(=CC(=C1)C=O)Cl AK-32653 [0,1,0,0,0,1|1,0,0]=3 342 B9R1.2 CC1=CC(=CN=C1)C=O AK-28384 [0,1,0,0,0,1|1,0,0]=3 343 B9R1.2 CC1=CC(=NC=C1)C=O AK-24250 [0,1,0,0,0,1|1,0,0]=3 344 B9R1.2 CC1=NC=CC(=N1)C=O AK-23647 [0,1,0,0,0,1|1,0,0]=3 345 B9R1.2 ClC1=CC(C=C)=NC=C1 AK100297 [0,1,0,0,0,1|2,0,0]=4 346 B9R1.2 ClC1=NC(C=O)=CN=C1 AK-64725 [0,1,0,0,0,1|1,0,0]=3 347 B9R1.2 FC1=CC(=CN=C1)C=O AK-30355 [0,1,0,0,0,1|1,0,0]=3 348 B9R1.2 FC1=CC(C=O)=NC=C1 AK-32767 [0,1,0,0,0,1|1,0,0]=3 349 B9R1.2 FC1=NC(=CC=C1)C=O AK-25580 [0,1,0,0,0,1|1,0,0]=3 350 B9R1.2 O=CC1=CC=CC(Br)=C1 AK-77027 [0,1,0,0,0,1|1,0,0]=3 351 B9R1.2 O=CC1=CC=CC(Cl)=C1 AK-68812 [0,1,0,0,0,1|1,0,0]=3 352 B9R1.2 O=CC1=CC=CC(F)=C1 AK112743 [0,1,0,0,0,1|1,0,0]=3 353 B9R1.2 O=CC1=CC=CC(I)=C1 AK-50045 [0,1,0,0,0,1|1,0,0]=3 354 B9R1.2 O=CC1=CC=CC(N)=C1 AK121859 [0,1,0,0,0,1|1,0,0]=3 355 B9R1.2 O=CC1=CC=CC(O)=C1 AK-77369 [0,1,0,0,0,1|1,0,0]=3 356 B9R1.2 O=CC1=CC=NC(C)=C1 AK-30085 [0,1,0,0,0,1|1,0,0]=3 357 B9R1.2 O=CC1=CC=NC(Cl)=C1 AK165004 [0,1,0,0,0,1|1,0,0]=3 358 B9R1.2 O=CC1=CC=NC(F)=C1 AK-29829 [0,1,0,0,0,1|1,0,0]=3 359 B9R1.2 O=CC1=CC=NC(O)=C1 AK-24042 [0,1,0,0,0,1|1,0,0]=3 360 B9R1.2 O=CC1=CN=CC(Br)=C1 AK-25300 [0,1,0,0,0,1|1,0,0]=3 361 B9R1.2 O=CC1=CN=CC(O)=C1 AK139755 [0,1,0,0,0,1|1,0,0]=3 362 B9R1.2 O=CC1=NC(C)=CC=C1 AK-45099 [0,1,0,0,0,1|1,0,0]=3 363 B9R1.2 O=CC1=NC(Cl)=CC=C1 AK-29361 [0,1,0,0,0,1|1,0,0]=3 364 B9R1.2 O=CC1=NC=CC(Br)=C1 AK-29828 [0,1,0,0,0,1|1,0,0]=3 365 B9R1.6 C(N)(=N)C1=NC=CC=N1 AK-33208 [0,1,0,0,0,1|2,0,0]=4 366 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [0,1,0,0,0,1|1,0,0]=3 367 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [0,1,0,0,0,1|1,0,0]=3 368 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [0,1,0,0,0,1|1,0,0]=3 369 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [0,1,0,0,0,1|1,0,0]=3 370 B9R1.6 C1=C(N=NC=C1)C(O)=O AK-28139 [0,1,0,0,0,1|1,0,0]=3 371 B9R1.6 C1=CN=CN=C1C(=O)O AK-23926 [0,1,0,0,0,1|1,0,0]=3 372 B9R1.6 C1=NC=CN=C1C(N)=N AK-24427 [0,1,0,0,0,1|2,0,0]=4 373 B9R1.6 C1=NC=CN=C1C(O)=O AK-47505 [0,1,0,0,0,1|1,0,0]=3 374 B9R1.6 C1=NC=NC=C1C(=O)O AK-24470 [0,1,0,0,0,1|2,0,0]=4 375 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [0,1,0,0,0,1|1,0,0]=3 376 B9R1.6 CC(=O)C1=CC=NN=C1 AK-30816 [0,1,0,0,0,1|2,0,0]=4 377 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [0,1,0,0,0,1|1,0,0]=3 378 B9R1.6 CC(C1=CN=CN=C1)=O AK-32388 [0,1,0,0,0,1|2,0,0]=4 379 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [0,1,0,0,0,1|1,0,0]=3 380 B9R1.6 N1=C(C=CC=C1)C(N)=S AK-65332 [0,1,0,0,0,1|1,1,0]=4 381 B9R1.6 N1=C(N=CC=C1)C(=O)O AK-24353 [0,1,0,0,0,1|1,0,0]=3 382 B9R1.6 N1=NC=C(C=C1)C(=O)O AK-26044 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.6 N=C(C1=NC=CC=N1)N AK164164 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.6 N=C(N)C1=CC=NC=C1 AK-84875 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.6 N=C(N)C1=CC=NC=C1 AK546382 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.6 N=C(N)C1=CN=CC=C1 AK-76662 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.6 N=C(N)C1=NC=CC=C1 AK-26055 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.6 NC(=O)C1=CN=CC=N1 AK-94813 [0,1,0,0,0,1|1,0,0]=3 391 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [0,1,0,0,0,1|1,1,0]=4 392 B9R1.6 O=C(C1=CCCCO1)O AK-78816 [0,1,0,0,0,1|0,0,2]=4 393 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [0,1,0,0,0,1|1,0,0]=3 394 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [0,1,0,0,0,1|1,0,0]=3 395 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [0,1,0,0,0,1|1,0,0]=3 396 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [0,1,0,0,0,1|1,0,0]=3 397 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [0,1,0,0,0,1|1,0,0]=3 398 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [0,1,0,0,0,1|1,0,0]=3 399 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [0,1,0,0,0,1|1,0,0]=3 401 B9R1.15 BrC1=NC=CC=C1C=O AK-33078 [0,1,0,0,0,1|1,0,0]=3 402 B9R1.15 C1=C(C(=CN=C1)O)C=O AK-23522 [0,1,0,0,0,1|1,0,0]=3 403 B9R1.15 C1=CC=NC(=C1C=O)Cl AK-25854 [0,1,0,0,0,1|1,0,0]=3 404 B9R1.15 C1=CC=NC(=C1C=O)F AK-29226 [0,1,0,0,0,1|1,0,0]=3 405 B9R1.15 C=CC1=CC=CC=C1Cl AK114259 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.15 ClC1=C(C=CN=C1)C=O AK-25096 [0,1,0,0,0,1|1,0,0]=3 407 B9R1.15 FC1=CC=CN=C1C=O AK-25751 [0,1,0,0,0,1|1,0,0]=3 408 B9R1.15 NC1=C(C=O)C=CC=C1 AK-45623 [0,1,0,0,0,1|1,0,0]=3 409 B9R1.15 NC1=CC=CC=C1C=C AK100084 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.15 NC1=NC=CN=C1C=O AK-30729 [0,1,0,0,0,1|1,0,0]=3 411 B9R1.15 O=CC1=C(C)N=CC=C1 AK-35801 [0,1,0,0,0,1|1,0,0]=3 412 B9R1.15 O=CC1=CC=CC=C1Br AK-50022 [0,1,0,0,0,1|1,0,0]=3 413 B9R1.15 O=CC1=CC=CC=C1F AK-88670 [0,1,0,0,0,1|1,0,0]=3 414 B9R1.15 O=CC1=CC=CC=C1I AK-94125 [0,1,0,0,0,1|1,0,0]=3 415 B9R1.15 O=CC1=CC=CC=C1N AK550048 [0,1,0,0,0,1|1,0,0]=3 416 B9R1.15 O=CC1=CC=CN=C1N AK-24791 [0,1,0,0,0,1|1,0,0]=3 417 B9R1.15 O=CC1=CC=CNC1=O AK-23653 [0,1,0,0,0,1|1,0,0]=3 418 B9R1.15 O=CC1=CC=NC=C1Br AK-32444 [0,1,0,0,0,1|1,0,0]=3 419 B9R1.15 O=CC1=CC=NC=C1Cl AK162974 [0,1,0,0,0,1|1,0,0]=3 420 B9R1.15 O=CC1=CC=NC=C1F AK-37427 [0,1,0,0,0,1|1,0,0]=3 421 B9R1.15 O=CC1=CN=CC=C1N AK-35124 [0,1,0,0,0,1|1,0,0]=3 422 B9R1.15 O=CC1=NC=CC=C1C AK-26127 [0,1,0,0,0,1|1,0,0]=3 423 B9R1.15 O=CC1=NC=CC=C1Cl AK-28957 [0,1,0,0,0,1|1,0,0]=3 424 B9R1.15 OC1=C(C=O)N=CC=C1 AK-47968 [0,1,0,0,0,1|1,0,0]=3 425 B9R1.7 CC1=CC=C(CCO)O1 AK684573 [0,2,0,0,0,0|0,0,2]=4 426 B9R1.21 C1=C(OC(=C1)C=O)CO AK-26249 [0,2,0,0,0,0|0,0,0]=2 427 B9R1.21 CCC1=CSC(C=O)=N1 AK-28976 [0,2,0,0,0,0|1,1,0]=4 428 B9R1.21 COC1=NC=C(S1)C=O AK-27989 [0,2,0,0,0,0|1,1,0]=4 429 B9R1.21 O=CC1=CC=C(C=O)O1 AK-72875 [0,2,0,0,0,0|0,0,0]=2 430 B9R1.21 O=CC1=CC=C(SC)S1 AK114412 [0,2,0,0,0,0|0,1,0]=3 431 B9R1.21 OCC1=CC=C(CO)O1 AK-68226 [0,2,0,0,0,0|0,0,2]=4 432 B9R1.22 BrC1=NC(=C(S1)C=O)Br AK-24207 [0,2,0,0,0,0|1,1,0]=4 433 B9R1.22 C1(=C(N=C(S1)Cl)Cl)C=O AK-10081 [0,2,0,0,0,0|1,1,0]=4 434 B9R1.22 ClC1=C(C=C(S1)Cl)C=O AK-49034 [0,2,0,0,0,0|2,0,0]=4 435 B9R1.22 NC1=NC(=C(S1)C=O)Cl AK-15131 [0,2,0,0,0,0|1,1,0]=4 436 B9R1.22 O=CC1=C(Br)SC(C)=N1 AK127113 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.22 O=CC1=C(C)C=C(C)N1 AK-34150 [0,2,0,0,0,0|1,0,0]=3 438 B9R1.22 O=CC1=C(C)SC(C)=C1 AK142164 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.22 O=CC1=CC(C)=NN1C AK-29932 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.22 O=CC1=NN(C)C=C1Br AK105983 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.23 O=CC1=NC(C)=C(C)S1 AK-64606 [0,2,0,0,0,0|1,1,0]=4 442 B9R1.35 BrC1=CC(=CS1)C(=O)O AK-28622 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.35 BrC1=CC(=CS1)C(C)=O AK-35777 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.35 C1=C(C(=O)O)SC(=N1)N AK-24488 [0,2,0,0,0,0|1,1,0]=4 445 B9R1.35 C1=C(C)ON=C1C(N)=O AK-26695 [0,2,0,0,0,0|2,0,0]=4 446 B9R1.35 C1=C(C)[NH]N=C1C(O)=O AK-27812 [0,2,0,0,0,0|2,0,0]=4 447 B9R1.35 C1=C(N=C(S1)N)C(=O)C AK-54799 [0,2,0,0,0,0|2,0,0]=4 448 B9R1.35 C1=C(OC(=C1)Br)C(O)=O AK-35759 [0,2,0,0,0,0|0,0,0]=2 449 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [0,2,0,0,0,0|0,0,0]=2 450 B9R1.35 C1=C(ON=C1Br)C(=O)O AK-21783 [0,2,0,0,0,0|1,0,0]=3 451 B9R1.35 C1=C(SC(=C1)C(O)=O)Cl AK-29045 [0,2,0,0,0,0|0,1,0]=3 452 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [0,2,0,0,0,0|0,1,0]=3 453 B9R1.35 C1=C(SC(=C1)Cl)C(C)=O AK-47623 [0,2,0,0,0,0|0,1,0]=3 454 B9R1.35 C1=C(SC(=N1)C)C(=O)O AK-35030 [0,2,0,0,0,0|1,1,0]=4 455 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [0,2,0,0,0,0|0,0,0]=2 456 B9R1.35 CC(=O)C1=NC(C)=CO1 AK-80747 [0,2,0,0,0,0|1,0,0]=3 457 B9R1.35 CC(=O)C1=NOC(C)=C1 AK-47045 [0,2,0,0,0,0|2,0,0]=4 458 B9R1.35 CC(C1=CC(Cl)=CS1)=O AK-77338 [0,2,0,0,0,0|0,1,0]=3 459 B9R1.35 CC1=CC=C(N1)C(O)=O AK100045 [0,2,0,0,0,0|1,0,0]=3 460 B9R1.35 CC1=CN=C(S1)C(=O)O AK-26650 [0,2,0,0,0,0|1,1,0]=4 461 B9R1.35 CN1C=CC(=C1)C(O)=O AK-28665 [0,2,0,0,0,0|2,0,0]=4 462 B9R1.35 CN1C=CC(=N1)C(N)=O AK102817 [0,2,0,0,0,0|2,0,0]=4 463 B9R1.35 C[N]1C=C(N=C1)C(=O)N AK-47806 [0,2,0,0,0,0|2,0,0]=4 464 B9R1.35 ClC1=CC(=CS1)C(=O)O AK-29222 [0,2,0,0,0,0|2,0,0]=4 465 B9R1.35 O=C(C1=CC(Br)=CN1)N AK106602 [0,2,0,0,0,0|1,0,0]=3 466 B9R1.35 O=C(C1=CC(Br)=CO1)N AK120768 [0,2,0,0,0,0|0,0,0]=2 467 B9R1.35 O=C(C1=CC(Br)=CS1)N AK-90412 [0,2,0,0,0,0|0,1,0]=3 468 B9R1.35 O=C(C1=CC(Br)=CS1)O AK-24697 [0,2,0,0,0,0|0,1,0]=3 469 B9R1.35 O=C(C1=CC(C)=NO1)O AK-29291 [0,2,0,0,0,0|1,0,0]=3 470 B9R1.35 O=C(C1=CC(O)=NO1)N AK143689 [0,2,0,0,0,0|1,0,0]=3 471 B9R1.35 O=C(C1=CC(O)=NO1)O AK-58553 [0,2,0,0,0,0|1,0,0]=3 472 B9R1.35 O=C(C1=CC=C(Br)S1)O AK-26297 [0,2,0,0,0,0|0,1,0]=3 473 B9R1.35 O=C(C1=CC=C(C)S1)O AK-25546 [0,2,0,0,0,0|0,1,0]=3 474 B9R1.35 O=C(C1=CC=C(Cl)O1)O AK-94156 [0,2,0,0,0,0|0,0,0]=2 475 B9R1.35 O=C(C1=CC=C(F)S1)O AK-35162 [0,2,0,0,0,0|0,1,0]=3 476 B9R1.35 O=C(C1=CC=C(I)S1)O AK113691 [0,2,0,0,0,0|0,1,0]=3 477 B9R1.35 O=C(C1=CN(C)C=N1)O AK-30010 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.35 O=C(C1=CN=C(Br)S1)N AK-48537 [0,2,0,0,0,0|1,1,0]=4 479 B9R1.35 O=C(C1=CN=C(Br)S1)O AK-26941 [0,2,0,0,0,0|1,1,0]=4 480 B9R1.35 O=C(C1=CN=C(C)O1)O AK-43778 [0,2,0,0,0,0|1,0,0]=3 481 B9R1.35 O=C(C1=CNC(C)=C1)O AK-78330 [0,2,0,0,0,0|2,0,0]=4 482 B9R1.35 O=C(C1=CNC(C)=N1)O AK-78654 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.35 O=C(C1=COC(Br)=N1)O AK-76031 [0,2,0,0,0,0|2,0,0]=4 484 B9R1.35 O=C(C1=COC(I)=N1)O AK-41227 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.35 O=C(C1=CSC(Br)=C1)N AK138264 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.35 O=C(C1=CSC(Br)=N1)O AK-23610 [0,2,0,0,0,0|2,0,0]=4 487 B9R1.35 O=C(C1=CSC(Cl)=N1)O AK-48303 [0,2,0,0,0,0|2,0,0]=4 488 B9R1.35 O=C(C1=CSC(N)=N1)N AK109042 [0,2,0,0,0,0|2,0,0]=4 489 B9R1.35 O=C(C1=NC(Br)=CS1)O AK-40795 [0,2,0,0,0,0|1,1,0]=4 490 B9R1.35 O=C(C1=NC(C)=CN1)O AK-29453 [0,2,0,0,0,0|2,0,0]=4 491 B9R1.35 O=C(C1=NC=C(Br)S1)O AK122038 [0,2,0,0,0,0|1,1,0]=4 492 B9R1.35 O=C(C1=NN(C)C=C1)O AK-79303 [0,2,0,0,0,0|2,0,0]=4 493 B9R1.35 O=C(C1=NN=C(C)O1)[O-] AK-40665 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.35 O=C(C1=NNC(Br)=C1)O AK128451 [0,2,0,0,0,0|2,0,0]=4 495 B9R1.35 O=C(C1=NNC(Cl)=C1)O AK112708 [0,2,0,0,0,0|2,0,0]=4 496 B9R1.35 O=C(C1=NOC(C)=C1)O AK-25795 [0,2,0,0,0,0|2,0,0]=4 497 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 AK-48243 [0,2,0,0,0,0|0,1,0]=3 498 B9R1.35 O=C(O)C1=CC(Br)=CO1 AK-41331 [0,2,0,0,0,0|0,0,0]=2 499 B9R1.35 O=C1NN(C(C)=O)C=C1 AK676222 [0,2,0,0,0,0|2,0,0]=4 500 B9R1.35 O=[N+](C1=CC=C(Br)S1)[O-] AK-25363 [0,2,0,0,0,0|1,1,0]=4 501 B9R1.35 OC(=O)C1=CC(Br)=CN1 AK-27737 [0,2,0,0,0,0|1,0,0]=3 502 B9R1.35 OC(=O)C1=CC(Cl)=CS1 AK-89071 [0,2,0,0,0,0|0,1,0]=3 503 B9R1.35 OC(=O)C1=CC(F)=CS1 AK-29152 [0,2,0,0,0,0|0,1,0]=3 504 B9R1.35 OC(=O)C1=CC=C(Br)N1 AK100216 [0,2,0,0,0,0|1,0,0]=3 505 B9R1.35 OC(=O)C1=CNC(=O)N1 AK-68699 [0,2,0,0,0,0|2,0,0]=4 506 B9R1.35 OC(=O)C1=COC(Cl)=N1 AK-72648 [0,2,0,0,0,0|2,0,0]=4 507 B9R1.35 OC(=O)C1=NNC(O)=C1 AK-96196 [0,2,0,0,0,0|2,0,0]=4 508 B9R1.11 BrCC(=O)C1=CC=CS1 AK-53454 [0,2,0,0,0,0|0,1,0]=3 509 B9R1.11 BrCC(C1=NC=CS1)=O AK-45640 [0,2,0,0,0,0|1,1,0]=4 510 B9R1.11 C1=C(C(=O)OC)SC=N1 AK-29865 [0,2,0,0,0,0|1,1,0]=4 511 B9R1.11 CCC(C1=NC=CS1)=O AK113134 [0,2,0,0,0,0|1,1,0]=4 512 B9R1.11 COC(=O)C1=CNC=C1 AK-39320 [0,2,0,0,0,0|2,0,0]=4 513 B9R1.11 COC(=O)C1=COC=N1 AK100835 [0,2,0,0,0,0|2,0,0]=4 514 B9R1.11 COC(=O)C1=NC=CO1 AK109950 [0,2,0,0,0,0|1,0,0]=3 515 B9R1.11 O=C(C1=CC=CN1)OC AK-27729 [0,2,0,0,0,0|1,0,0]=3 516 B9R1.11 O=C(C1=CC=CS1)OC AK-48323 [0,2,0,0,0,0|0,1,0]=3 517 B9R1.11 O=C(C1=CN=CN1)OC AK-25496 [0,2,0,0,0,0|2,0,0]=4 518 B9R1.11 O=C(C1=CN=CN1)OC AK-40808 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.11 O=C(C1=CSC=C1)OC AK-48045 [0,2,0,0,0,0|2,0,0]=4 520 B9R1.11 O=C(C1=CSC=N1)OC AK-21853 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.11 O=C(C1=NC=CN1)OC AK-59662 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.11 O=C(C1=NC=CS1)OC AK-50497 [0,2,0,0,0,0|1,1,0]=4 523 B9R1.11 O=C(C1=NNC=C1)OC AK-31981 [0,2,0,0,0,0|2,0,0]=4 524 B9R1.19 C1=C([S](N)(=O)=O)SC=C1 AK-23658 [0,2,0,0,0,0|1,1,0]=4 525 B9R1.19 O=S(C1=CC=CS1)(O)=O AK-53556 [0,2,0,0,0,0|1,1,0]=4 526 B9R1.41 BrC1=C[NH]N=C1C(=O)N AK-39986 [0,2,0,0,0,0|2,0,0]=4 527 B9R1.41 C1=CC(=C(S1)N)C(=O)N AK-50549 [0,2,0,0,0,0|2,0,0]=4 528 B9R1.41 C1=NC(=C(C(O)=O)O1)C AK-25663 [0,2,0,0,0,0|1,0,0]=3 529 B9R1.41 C1=NC(=C([NH]1)C(=O)N)O AK-26137 [0,2,0,0,0,0|2,0,0]=4 530 B9R1.41 CC(C1=CC=CN1C)=O AK148515 [0,2,0,0,0,0|1,0,0]=3 531 B9R1.41 CC(C1=CN=CN1C)=O AK140652 [0,2,0,0,0,0|2,0,0]=4 532 B9R1.41 CC1=C(C=CN1)C(O)=O AK-77215 [0,2,0,0,0,0|2,0,0]=4 533 B9R1.41 CC1=C(OC=C1)C(O)=O AK-89342 [0,2,0,0,0,0|0,0,0]=2 534 B9R1.41 CN1C=CN=C1C(C)=O AK-54843 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.41 CN1N=CC=C1C(C)=O AK-40773 [0,2,0,0,0,0|2,0,0]=4 536 B9R1.41 ClC1=C(C=CS1)C(=O)O AK-29355 [0,2,0,0,0,0|2,0,0]=4 537 B9R1.41 FC1=C(SC=C1)C(=O)O AK-29153 [0,2,0,0,0,0|0,1,0]=3 538 B9R1.41 NC1=C([N+]([O-])=O)SC=C1 AK126981 [0,2,0,0,0,0|1,1,0]=4 539 B9R1.41 O=C(C1=C(Br)C=CS1)O AK-29480 [0,2,0,0,0,0|0,1,0]=3 540 B9R1.41 O=C(C1=C(Br)C=NN1)O AK-59621 [0,2,0,0,0,0|2,0,0]=4 541 B9R1.41 O=C(C1=C(Br)SC=C1)O AK-34310 [0,2,0,0,0,0|2,0,0]=4 542 B9R1.41 O=C(C1=C(Br)SC=N1)O AK-22047 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.41 O=C(C1=C(C)C=CN1)O AK-36827 [0,2,0,0,0,0|1,0,0]=3 544 B9R1.41 O=C(C1=C(C)C=CS1)O AK-25644 [0,2,0,0,0,0|0,1,0]=3 545 B9R1.41 O=C(C1=C(C)C=NO1)O AK-25674 [0,2,0,0,0,0|1,0,0]=3 546 B9R1.41 O=C(C1=C(C)N=CS1)O AK-29930 [0,2,0,0,0,0|1,1,0]=4 547 B9R1.41 O=C(C1=C(C)OC=N1)O AK-24069 [0,2,0,0,0,0|2,0,0]=4 548 B9R1.41 O=C(C1=C(C)SC=C1)O AK-33900 [0,2,0,0,0,0|2,0,0]=4 549 B9R1.41 O=C(C1=C(C)SC=N1)O AK-25323 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.41 O=C(C1=C(Cl)C=NN1)O AK-75702 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.41 O=C(C1=C(Cl)C=NS1)O AK314030 [0,2,0,0,0,0|1,1,0]=4 552 B9R1.41 O=C(C1=C(I)C=CS1)O AK167455 [0,2,0,0,0,0|0,1,0]=3 553 B9R1.41 O=C(C1=C(I)C=NN1)O AK-92905 [0,2,0,0,0,0|2,0,0]=4 554 B9R1.41 O=C(C1=C(N)NC=N1)N AK-34082 [0,2,0,0,0,0|2,0,0]=4 555 B9R1.41 O=C(C1=C(N)NC=N1)N AK-48933 [0,2,0,0,0,0|2,0,0]=4 556 B9R1.41 O=C(C1=C(N)SC=N1)N AK-88620 [0,2,0,0,0,0|2,0,0]=4 557 B9R1.41 O=C(C1=CC=CN1N)N AK-45334 [0,2,0,0,0,0|1,0,0]=3 558 B9R1.41 O=C(C1=CC=NN1C)O AK-33521 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.41 O=C(C1=CN=CN1C)O AK-35106 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.41 O=C(C1=CSC=C1C)O AK-64461 [0,2,0,0,0,0|2,0,0]=4 561 B9R1.41 O=C(C1=NC=CN1C)O AK-28560 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.41 O=C(C1=NNC=C1Br)O AK-46340 [0,2,0,0,0,0|2,0,0]=4 563 B9R1.41 O=C(C1=NOC=C1C)O AK101261 [0,2,0,0,0,0|2,0,0]=4 564 B9R1.41 O=[N+](C1=C(Br)C=CS1)[O-] AK-98663 [0,2,0,0,0,0|1,1,0]=4 565 B9R1.41 OC(=O)C1=C(Br)C=CO1 AK110945 [0,2,0,0,0,0|0,0,0]=2 566 B9R1.41 OC(=O)C1=C(Cl)C=CS1 AK-48375 [0,2,0,0,0,0|0,1,0]=3 567 B9R1.12 CCOCC1=CC=CO1 AK119688 [0,2,0,0,0,0|0,0,2]=4 568 B9R1.12 O=C\C=C\C1=CC=CO1 AK-88542 [0,2,0,0,0,0|0,0,0]=2 569 B9R1.13 CC(NC1=CSC=C1)=O AK-78788 [0,2,0,0,0,0|2,0,0]=4 570 B9R1.13 CN(C)C=C1C=CC=C1 AK-79365 [0,2,0,0,0,0|2,0,0]=4 571 B9R1.13 O=C(Cl)CC1=CC=CS1 AK-76957 [0,2,0,0,0,0|0,1,0]=3 572 B9R1.13 O=C(O)CC1=CC=CO1 AK126664 [0,2,0,0,0,0|0,0,0]=2 573 B9R1.13 O=C(O)CC1=CN=CN1 AK-35977 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.13 O=C(O)CC1=NNC=C1 AK153425 [0,2,0,0,0,0|2,0,0]=4 575 B9R1.33 CC1=C(\C=N\O)SC=C1 AK130710 [0,2,0,0,0,0|0,1,1]=4 576 B9R1.14 N#CC1=C(C=O)NC=C1 AK146344 [0,2,0,0,0,0|1,0,0]=3 577 B9R1.14 O=CC1=C(OC)C=CO1 AK320838 [0,2,0,0,0,0|0,0,0]=2 578 B9R1.14 O=CC1=CN=CN1CC AK310500 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.14 O=CC1=NC=CN1CC AK-41483 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.27 CN1N=CC(I)=C1C=O AK-88342 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.27 O=CC1=C(C)N=CN1C AK158521 [0,2,0,0,0,0|2,0,0]=4 582 B7R1.3 IC1=CC=CC=C1 AK-88660 [0,0,1,1,0,0|2,0,0]=4 583 B7R1.3 IC1=CC=CN=C1 AK-46371 [0,0,1,1,0,0|2,0,0]=4 584 B7R1.3 OC1=CC=CN=C1 AK-44238 [0,0,1,1,0,0|1,0,0]=3 585 B7R1.3 OC1=CC=NC=C1 AK110406 [0,0,1,1,0,0|2,0,0]=4 586 B7R1.3 OC1=CN=CN=C1 AK-28351 [0,0,1,1,0,0|2,0,0]=4 587 B7R1.3 OC1=CN=NC=C1 AK-28962 [0,0,1,1,0,0|2,0,0]=4 588 B7R1.3 [S-]C1=CC=CC=C1 AK316593 [0,0,1,1,0,0|1,1,0]=4 589 B9R2.3 C12=C(C=CS1)C=CN2 AK312022 [0,1,0,1,0,0|1,1,0]=4 590 B9R2.3 C1=CSC2=C1SC=C2 AK-32205 [0,1,0,1,0,0|0,2,0]=4