0 B8R1.11 CC1=C(C#N)C=CN1 1782AJ [0,0,0,0,0,0|3,0,1]=4 1 B8R1.11 CC1=C(C#N)C=CO1 1402AB [0,0,0,0,0,0|3,0,1]=4 2 B8R1.11 CC1=C(C=O)C=CO1 Y9472 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.11 CC1=C(C=O)C=CS1 3068AC [0,0,0,0,0,0|2,0,0]=2 4 B8R1.11 CC1=C(C=O)N=CS1 2250AB [0,0,0,0,0,0|3,0,0]=3 5 B8R1.11 CC1=C(C=O)OC=C1 Y8751 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.11 CC1=C(C=O)OC=N1 5034AD [0,0,0,0,0,0|3,0,0]=3 7 B8R1.11 CC1=C(C=O)SN=C1 4154AC [0,0,0,0,0,0|3,0,0]=3 8 B8R1.11 CC1=C(CN)C=CO1 8523AH [0,0,0,0,0,0|3,0,1]=4 9 B8R1.11 CC1=C(CO)OC=C1 6906AD [0,0,0,0,0,0|2,0,2]=4 10 B8R1.11 CC1=C(CO)SC=C1 W7564 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.11 CC1=CSC=C1C#N 1373AC [0,0,0,0,0,0|3,0,1]=4 12 B8R1.11 CN1C=CC=C1CN Y9856 [0,0,0,0,0,0|1,0,1]=2 13 B8R1.11 CN1C=CC=C1CO 7329AB [0,0,0,0,0,0|0,0,2]=2 14 B8R1.11 CN1C=CN=C1C#N 3919AE [0,0,0,0,0,0|2,0,1]=3 15 B8R1.11 CN1C=CN=C1CN 4586AA [0,0,0,0,0,0|2,0,1]=3 16 B8R1.11 CN1C=NN=C1CCl 3904AD [0,0,0,0,0,0|3,0,1]=4 17 B8R1.11 CN1C=NN=C1CN V3370 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.11 CN1N=CC=C1C#N 7596AE [0,0,0,0,0,0|2,0,1]=3 19 B8R1.11 CN1N=CN=C1CO 5420AC [0,0,0,0,0,0|2,0,2]=4 20 B8R1.11 CNC1=NC=CN1C 1684AA [0,0,0,0,0,0|3,0,0]=3 21 B8R1.11 NC1=C(C=O)SC=C1 8259AB [0,0,0,0,0,0|3,0,0]=3 22 B8R1.11 O=CC1=C(Br)C=CN1 5568AB [0,0,0,0,0,0|3,0,0]=3 23 B8R1.11 O=CC1=NNC=C1Cl Y9646 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.1 BrCC1=NC=CN1 1423AC [1,0,0,0,0,0|2,0,1]=4 25 B7R1.1 COC1=CC=CO1 2109AL [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 CSC1=NC=CN1 5294AJ [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 ClCC1=NC=CN1 1125AC [1,0,0,0,0,0|2,0,1]=4 28 B7R1.1 NCC1=CC=CN1 W7617 [1,0,0,0,0,0|1,0,1]=3 29 B7R1.1 O=CC1=CC=C[Se]1 5634AL [1,0,0,0,0,0|1,0,0]=2 30 B7R1.1 O=CC1=CC=NS1 7399AB [1,0,0,0,0,0|2,0,0]=3 31 B7R1.1 O=CC1=CCSC1 2331AA [1,0,0,0,0,0|2,0,1]=4 32 B7R1.1 O=CC1=CN=CO1 X9341 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.1 O=CC1=CON=C1 0015AC [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 O=CC1=CSN=C1 4169AJ [1,0,0,0,0,0|3,0,0]=4 35 B7R1.1 O=CC1=NC=CO1 7478AE [1,0,0,0,0,0|1,0,1]=3 36 B7R1.1 O=CC1=NNC=N1 9849AH [1,0,0,0,0,0|2,0,1]=4 37 B7R1.1 O=CC1=NOC=C1 4723AC [1,0,0,0,0,0|1,0,1]=3 38 B7R1.4 CC1=C(Br)C=CO1 2185AJ [1,0,0,0,0,0|3,0,0]=4 39 B7R1.4 CC1=CCOC1=O 7576AD [1,0,0,0,0,0|2,0,1]=4 40 B7R1.4 CC1=CNC=C1C 2295AL [1,0,0,0,0,0|2,0,1]=4 41 B7R1.4 CC1=CSC=C1N 1699AB [1,0,0,0,0,0|3,0,0]=4 42 B7R1.4 CC1C=NNC1=O 1336AQ [1,0,0,0,0,0|3,0,0]=4 43 B7R1.4 CN1C=CN=C1N Z5007 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.4 CN1C=NC=C1N Y1665 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.4 CN1N=CN=C1Cl 5751AE [1,0,0,0,0,0|3,0,0]=4 46 B7R1.4 CN1N=CN=C1N 7927AA [1,0,0,0,0,0|3,0,0]=4 47 B7R1.4 CN1N=NC=C1N 4755AF [1,0,0,0,0,0|3,0,0]=4 48 B7R1.4 CN1SC=CC1=O P432 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.14 CCN1C=CN=C1CN 2283AF [0,1,0,0,0,0|2,0,1]=4 50 B9R1.14 CCN1C=NC=C1CO 8643AH [0,1,0,0,0,0|1,0,2]=4 51 B9R1.14 CCN1N=CN=C1C=O 4703AH [0,1,0,0,0,0|2,0,0]=3 52 B9R1.22 CC1=C(C=O)N=C(Br)O1 1615AJ [0,1,0,0,0,0|3,0,0]=4 53 B9R1.22 CC1=NC(C)=C(C=O)O1 0653AC [0,1,0,0,0,0|3,0,0]=4 54 B9R1.22 CC1=NC(C=O)=C(C)N1 0528AC [0,1,0,0,0,0|3,0,0]=4 55 B9R1.22 CC1=NN(C)C(C=O)=C1 W4824 [0,1,0,0,0,0|1,0,0]=2 56 B9R1.22 CC1=NN(C)C(CBr)=C1 Z2962 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.22 CC1=NN(C)C(CN)=C1 Y5453 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.22 O=CC1=C(Cl)SC(Cl)=C1 W7347 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.27 CN1C=NC(Br)=C1C=O 6878AA [0,1,0,0,0,0|1,0,0]=2 60 B9R1.27 CN1C=NC(N)=C1C#N 6073AJ [0,1,0,0,0,0|2,0,1]=4 61 B9R1.33 CN1C=CC=C1CCN 1703AL [0,1,0,0,0,0|1,0,1]=3 62 B9R1.33 CN1C=CN=C1CCN X3600 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.33 CN1C=CN=C1CCN Y4448 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.33 CN1C=NC=C1CCN 2460AL [0,1,0,0,0,0|2,0,1]=4 65 B9R1.33 CN1N=CC=C1CC#N 8390AC [0,1,0,0,0,0|2,0,1]=4 66 B9R1.33 CNCC1=CC=CN1C 0547AD [0,1,0,0,0,0|1,0,1]=3 67 B9R1.33 CNCC1=CC=CN1C 8584AD [0,1,0,0,0,0|1,0,1]=3 68 B9R1.33 CNCC1=NC=CN1C 7296AE [0,1,0,0,0,0|2,0,1]=4 69 B9R1.41 CC(=O)C1=C(C)C=CS1 Z5455 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.41 CC(=O)C1=C(C)N=CS1 4928AB [0,1,0,0,0,0|3,0,0]=4 71 B9R1.41 CC(=O)C1=C(C)NN=C1 4180AF [0,1,0,0,0,0|3,0,0]=4 72 B9R1.41 CC(=O)C1=C(C)ON=C1 7411AE [0,1,0,0,0,0|3,0,0]=4 73 B9R1.41 CC(=O)C1=C(N)C=CS1 3514AB [0,1,0,0,0,0|3,0,0]=4 74 B9R1.41 CC(=O)N1C=CC=C1Br 5036AJ [0,1,0,0,0,0|3,0,0]=4 75 B9R1.41 CC(C)C1=NC=CN1C 1354AB [0,1,0,0,0,0|2,0,1]=4 76 B9R1.41 CC1=C(C(=O)Cl)OC=N1 Y9645 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.41 CC1=C(C(=O)O)NC=N1 4426AD [0,1,0,0,0,0|3,0,0]=4 78 B9R1.41 CC1=C([N+](=O)[O-])SC=C1 V5146 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.41 CN1C=CN=C1C(=N)N 0619AF [0,1,0,0,0,0|2,0,0]=3 80 B9R1.41 CN1N=CN=C1C(=O)O 0091AF [0,1,0,0,0,0|2,0,0]=3 81 B9R1.41 NC(=O)C1=C(Br)SC=C1 9864AA [0,1,0,0,0,0|3,0,0]=4 82 B9R1.41 O=C(O)C1=C(Br)C=CO1 Z5464 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.132 CC1=C(C=O)N=CN1C 4635AH [0,1,0,0,0,0|3,0,0]=4 84 B9R1.132 CC1=C(C=O)SC=C1Br V5015 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.132 CC1=CC=C(CN)N1C 0667AD [0,1,0,0,0,0|1,0,1]=3 86 B9R1.132 CC1=CNC(C=O)=C1C 6636AD [0,1,0,0,0,0|2,0,0]=3 87 B9R1.132 CC1=NC=C(C=O)N1C Y8403 [0,1,0,0,0,0|1,0,0]=2 88 B9R1.132 CN1C(Br)=CN=C1C=O V7788 [0,1,0,0,0,0|1,0,0]=2 89 B9R1.132 CN1C(Br)=CN=C1CO 3457AC [0,1,0,0,0,0|1,0,2]=4 90 B9R1.132 CN1C(C=O)=CN=C1Br V7789 [0,1,0,0,0,0|1,0,0]=2 91 B9R1.132 CN1C(CO)=CN=C1N Z5989 [0,1,0,0,0,0|1,0,2]=4 92 B9R1.132 CN1C(Cl)=CN=C1CO 0565AE [0,1,0,0,0,0|1,0,2]=4 93 B9R2.3 C1=NN2CCCC2=C1 1601AA [0,0,0,1,0,0|2,0,1]=4 94 B9R2.7 O=C1CC2C=CCC12 M049 [0,0,0,1,0,0|1,0,2]=4 95 B9R1.2 C=CC1=CC(C)=CC=C1 6123AL [0,0,0,0,0,1|2,0,0]=3 96 B9R1.2 C=CC1=CC(C)=CC=N1 6788AA [0,0,0,0,0,1|3,0,0]=4 97 B9R1.2 CC1=CN=CC(C=O)=N1 2745AA [0,0,0,0,0,1|2,0,0]=3 98 B9R1.2 CC1=NC(CN)=CC=C1 6493AA [0,0,0,0,0,1|2,0,1]=4 99 B9R1.2 CC1=NC=CC(C=O)=C1 9828AC [0,0,0,0,0,1|2,0,0]=3 100 B9R1.2 CC1=NC=CC(C=O)=N1 X8509 [0,0,0,0,0,1|2,0,0]=3 101 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [0,0,0,0,0,1|2,0,1]=4 102 B9R1.2 NC1=CC(C=O)=CC=C1 Y7351 [0,0,0,0,0,1|2,0,0]=3 103 B9R1.2 NC1=CC=CC(C=O)=C1 X3987 [0,0,0,0,0,1|2,0,0]=3 104 B9R1.2 NC1=CC=CC(C=O)=N1 3868AB [0,0,0,0,0,1|2,0,0]=3 105 B9R1.2 O=CC1=CC(F)=NC=C1 X9807 [0,0,0,0,0,1|3,0,0]=4 106 B9R1.2 O=CC1=CC(I)=CN=C1 1479AF [0,0,0,0,0,1|3,0,0]=4 107 B9R1.2 O=CC1=CC=CC(F)=N1 N399 [0,0,0,0,0,1|2,0,0]=3 108 B9R1.2 O=CC1=CN=CC(Cl)=C1 W9911 [0,0,0,0,0,1|3,0,0]=4 109 B9R1.2 O=CC1=NC(Cl)=CN=C1 3835AC [0,0,0,0,0,1|3,0,0]=4 110 B9R1.2 O=CC1=NC=CC(O)=C1 1364AA [0,0,0,0,0,1|3,0,0]=4 111 B9R1.15 C(=O)C1=CNC=CC1=O KMA0001 [0,0,0,0,0,1|2,0,0]=3 112 B9R1.15 C=CC1=C(C)C=CC=C1 8079AF [0,0,0,0,0,1|2,0,0]=3 113 B9R1.15 C=CC1=CC=CC=C1N Y8954 [0,0,0,0,0,1|3,0,0]=4 114 B9R1.15 C=CC1=CC=CC=[N+]1C 0254AQ [0,0,0,0,0,1|1,0,1]=3 115 B9R1.15 CC1=C(C#N)C=CN=C1 Y6643 [0,0,0,0,0,1|2,0,1]=4 116 B9R1.15 CC1=C(CBr)C=NC=C1 Y7235 [0,0,0,0,0,1|2,0,1]=4 117 B9R1.15 CC1=C(CBr)C=NC=C1 Z4138 [0,0,0,0,0,1|2,0,1]=4 118 B9R1.15 CC1=C(CN)C=CN=C1 Y4868 [0,0,0,0,0,1|2,0,1]=4 119 B9R1.15 CC1=C(NN)C=NC=C1 2421AC [0,0,0,0,0,1|3,0,0]=4 120 B9R1.15 CC1=CC=CC=C1[Mg]Br X5408 [0,0,0,0,0,1|3,0,0]=4 121 B9R1.15 CC1=CC=CN=C1CBr Y9115 [0,0,0,0,0,1|2,0,1]=4 122 B9R1.15 CC1=CC=CN=C1CO 0931AC [0,0,0,0,0,1|1,0,2]=4 123 B9R1.15 CC1=NC=CC=C1CCl 8680AB [0,0,0,0,0,1|2,0,1]=4 124 B9R1.15 CC1=NC=CC=C1CN 8679AB [0,0,0,0,0,1|2,0,1]=4 125 B9R1.15 CCC1=CC=CC=C1C Z4941 [0,0,0,0,0,1|2,0,1]=4 126 B9R1.15 COC1=C(C)C=NC=C1 V9875 [0,0,0,0,0,1|3,0,0]=4 127 B9R1.15 NC1=C(C=O)C=CN=C1 2155AJ [0,0,0,0,0,1|2,0,0]=3 128 B9R1.15 NC1=C(C=O)C=NC=N1 8310AA [0,0,0,0,0,1|3,0,0]=4 129 B9R1.15 NC1=CN=CC=C1C=O 3083AA [0,0,0,0,0,1|2,0,0]=3 130 B9R1.15 O=CC1=CN=CC=C1Br W3357 [0,0,0,0,0,1|2,0,0]=3 131 B9R1.15 O=CC1=NC=CC=C1O V2372 [0,0,0,0,0,1|2,0,0]=3 132 B6R0.1 COC(=O)\C=C\N 1217AQ [1,0,1,0,0,0|2,0,0]=4 133 B6R1.2 NC1=CN=CN1 0957AP [2,0,0,0,0,0|2,0,0]=4 134 B6R1.2 NC1=CN=CN1 5028AA [2,0,0,0,0,0|2,0,0]=4 135 B6R1.2 NN1C=CC=N1 5269AB [2,0,0,0,0,0|2,0,0]=4 136 B6R1.2 O=C1C=CCN1 V5771 [2,0,0,0,0,0|0,0,1]=3 137 B6R1.2 O=C1C=CCS1 1311AQ [2,0,0,0,0,0|1,0,1]=4 138 B8R1.1 CC1=CC=C(C#N)N1 2253AB [1,1,0,0,0,0|1,0,1]=4 139 B8R1.1 CC1=CNC(CO)=C1 4693AD [1,1,0,0,0,0|0,0,2]=4 140 B8R1.1 CC1=NC=C(C=O)O1 4199AC [1,1,0,0,0,0|2,0,0]=4 141 B8R1.1 CC1=NOC(C=O)=C1 Y9882 [1,1,0,0,0,0|2,0,0]=4 142 B8R1.1 O=CC1=CC(Br)=NO1 W4557 [1,1,0,0,0,0|2,0,0]=4 143 B8R1.1 O=CC1=CC(Cl)=CS1 8472AB [1,1,0,0,0,0|1,0,0]=3 144 B8R1.1 O=CC1=CC=C(I)S1 7666AB [1,1,0,0,0,0|1,0,0]=3 145 B8R1.1 O=CC1=CNC(=O)N1 1313AC [1,1,0,0,0,0|1,0,0]=3 146 B8R1.1 O=CC1=CSC(Br)=C1 9797AA [1,1,0,0,0,0|2,0,0]=4 147 B8R1.1 O=CC1=CSC(Cl)=C1 4568AB [1,1,0,0,0,0|2,0,0]=4 148 B8R1.1 O=CC1=NC=C(Br)S1 Y5660 [1,1,0,0,0,0|1,0,1]=4 149 B8R1.1 O=CC1=NC=C(Cl)S1 Y5482 [1,1,0,0,0,0|1,0,1]=4 150 B8R1.7 CC(=O)C1=COC=C1 7011AA [1,1,0,0,0,0|2,0,0]=4 151 B8R1.7 CC(=O)C1=NC=NN1 4769AD [1,1,0,0,0,0|2,0,0]=4 152 B8R1.7 CC(O)C1=CC=CN1 Z2357 [1,1,0,0,0,0|0,0,2]=4 153 B8R1.7 NC(=O)C1=CN=CO1 Y7670 [1,1,0,0,0,0|2,0,0]=4 154 B8R1.7 NC(=O)C1=CNC=C1 1113AC [1,1,0,0,0,0|2,0,0]=4 155 B8R1.7 NC(=O)C1=CNC=N1 2439AB [1,1,0,0,0,0|1,0,1]=4 156 B8R1.7 NC(=O)C1=CSC=C1 4677AE [1,1,0,0,0,0|2,0,0]=4 157 B8R1.7 NC(=O)[C@@H]1C=CCN1 5249AH [1,1,0,0,0,0|0,0,2]=4 158 B8R1.7 NC(=S)C1=CC=NN1 Y5736 [1,1,0,0,0,0|1,1,0]=4 159 B8R1.7 NC(=S)C1=NC=CN1 9851AH [1,1,0,0,0,0|1,1,0]=4 160 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [1,1,0,0,0,0|1,0,1]=4 161 B8R1.7 O=C(O)C1=NSC=C1 6302AB [1,1,0,0,0,0|1,0,1]=4 162 B8R1.7 O=C(O)C1C=CCN1 0852AE [1,1,0,0,0,0|0,0,2]=4 163 B8R1.7 O=C([O-])C1=NC=CS1 4281AE [1,1,0,0,0,0|1,0,1]=4 164 B8R1.8 N#CCC1=CC=CN1 1010AJ [1,1,0,0,0,0|1,0,1]=4 165 B8R1.8 NCCC1=CC=CN1 1070AJ [1,1,0,0,0,0|1,0,1]=4 166 B8R1.8 NCCC1=CC=CN1 5556AB [1,1,0,0,0,0|1,0,1]=4 167 B8R1.8 O\N=C\C1=NC=CN1 3423AD [1,1,0,0,0,0|1,0,1]=4 168 B8R1.18 CC1=CN(C)C(Br)=N1 Y8377 [1,1,0,0,0,0|2,0,0]=4 169 B8R1.18 CN1C=C(Br)N=C1Br V6494 [1,1,0,0,0,0|2,0,0]=4 170 B8R1.18 CN1N=C(N)C=C1Br 4711AC [1,1,0,0,0,0|2,0,0]=4 171 B8R1.19 CC1(C)OC=CC1=O 0580AQ [1,1,0,0,0,0|2,0,0]=4 172 B8R1.50 CC1=C(N)C=NN1C 2425AA [1,1,0,0,0,0|1,0,1]=4 173 B8R1.50 CC1=C(N)C=NN1C 3015AA [1,1,0,0,0,0|1,0,1]=4 174 B8R1.50 CC1=C(N)N(C)C=N1 6311AJ [1,1,0,0,0,0|2,0,0]=4 175 B8R1.50 CC1=C(N)N(C)N=C1 Z2447 [1,1,0,0,0,0|2,0,0]=4 176 B8R1.50 CC1=C(N)N=CN1C 6070AJ [1,1,0,0,0,0|1,0,1]=4 177 B8R1.50 CC1=CC=C(C)N1C 4413AL [1,1,0,0,0,0|0,0,1]=3 178 B8R1.50 CC1=CN=C(Br)N1C V4574 [1,1,0,0,0,0|1,0,1]=4 179 B8R1.50 CN1C(=O)CNC1=O 0568AC [1,1,0,0,0,0|1,0,1]=4 180 B8R1.50 CN1C(=O)COC1=O 4361AD [1,1,0,0,0,0|1,0,1]=4 181 B8R1.50 CN1C(I)=CN=C1I V8150 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.50 O=C1C=CC(=O)N1O P914 [1,1,0,0,0,0|1,0,0]=3 183 B10R1.2 C(=O)C1=CNC=C(C)C1=O KMA0019 [0,1,0,0,0,1|2,0,0]=4 184 B10R1.2 CC1=NC=CC(C=O)=C1C Y4384 [0,1,0,0,0,1|2,0,0]=4 185 B10R1.2 CN1C=CC=C(CO)C1=O 1727AE [0,1,0,0,0,1|0,0,2]=4 186 B10R1.8 CC1=CC(C=O)=CC(Cl)=N1 6577AB [0,1,0,0,0,1|2,0,0]=4 187 B10R1.8 CC1=CC(O)=CC(C=O)=C1 9038AB [0,1,0,0,0,1|1,0,0]=3 188 B10R1.30 CC1=C(C=O)C=C(Cl)C=C1 X2719 [0,1,0,0,0,1|2,0,0]=4 189 B10R1.30 CC1=C(C=O)C=C(O)C=C1 J92794 [0,1,0,0,0,1|2,0,0]=4 190 B10R1.30 CC1=C(C=O)N=C(Cl)C=C1 1066AD [0,1,0,0,0,1|2,0,0]=4 191 B10R1.30 CC1=CC(C=O)=C(N)N=C1 Z3812 [0,1,0,0,0,1|2,0,0]=4 192 B10R1.30 CC1=CC=C(I)C=C1C=O Z0762 [0,1,0,0,0,1|2,0,0]=4 193 B10R1.30 CC1=CC=C(O)C=C1C=O Z0411 [0,1,0,0,0,1|2,0,0]=4 194 B10R1.30 CC1=CN=C(F)C(C=O)=C1 Y3740 [0,1,0,0,0,1|2,0,0]=4 195 B10R1.30 CC1=CNC(=O)C(C=O)=C1 4343AA [0,1,0,0,0,1|2,0,0]=4 196 B10R1.30 NC1=C(C=O)C=C(F)C=C1 7284AA [0,1,0,0,0,1|2,0,0]=4 197 B10R1.30 NC1=CC=C(Br)C(C=O)=N1 4362AA [0,1,0,0,0,1|2,0,0]=4 198 B10R1.113 CC(=O)C1=NC(C)=NC=C1 0456AC [0,1,0,0,0,1|2,0,0]=4 199 B10R1.113 CC1=CC(C(N)=O)=NC=C1 5258AE [0,1,0,0,0,1|2,0,0]=4 200 B10R1.113 CC1=NC(C(N)=O)=NC=C1 6042AA [0,1,0,0,0,1|2,0,0]=4 201 B10R1.113 CN1CCC=C(C(=O)O)C1 6770AB [0,1,0,0,0,1|0,0,2]=4 202 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 6013AL [0,1,0,0,0,1|0,0,1]=3 203 B10R1.113 NC(=O)C1=NC(N)=CC=C1 3423AJ [0,1,0,0,0,1|2,0,0]=4 204 B10R1.113 NC1=CC(C(=O)[O-])=CC=C1 5988AL [0,1,0,0,0,1|2,0,0]=4 205 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 J70037 [0,1,0,0,0,1|2,0,0]=4 206 B10R1.113 O=C(O)C1=NC(I)=CC=C1 5470AE [0,1,0,0,0,1|2,0,0]=4 207 B10R1.172 CCC1=NC(C=O)=CC=N1 5047AH [0,1,0,0,0,1|2,0,0]=4 208 B10R1.172 O=CC1=NC(CO)=CC=C1 Y8988 [0,1,0,0,0,1|1,0,0]=3 209 B10R1.176 CC1=CC(C=O)=CN=C1Br Z0993 [0,1,0,0,0,1|2,0,0]=4 210 B10R1.176 CC1=CC=C(C=O)C=C1I 8694AB [0,1,0,0,0,1|2,0,0]=4 211 B10R1.176 CC1=NC(C=O)=CC=C1F 4137AC [0,1,0,0,0,1|1,0,0]=3 212 B10R1.4 O=CCC1=CC=CC=C1F 1702AC [0,1,0,0,0,1|2,0,0]=4 213 B10R1.20 CNC1=C(C=O)C=CC=C1 2162AC [0,1,0,0,0,1|1,0,0]=3 214 B10R1.20 CNC1=C(C=O)C=CC=N1 0212AE [0,1,0,0,0,1|1,0,0]=3 215 B10R1.20 COC1=CC=NC=C1C=O O038 [0,1,0,0,0,1|1,0,0]=3 216 B10R1.20 N#CC1=C(C=O)C=CC=N1 5885AA [0,1,0,0,0,1|1,0,1]=4 217 B10R1.20 N#CC1=C(C=O)C=CN=C1 1345AA [0,1,0,0,0,1|1,0,1]=4 218 B10R1.20 O=CC1=C(CCl)C=CC=C1 1257AJ [0,1,0,0,0,1|1,0,0]=3 219 B10R1.25 C(=O)C1=CNC(C)=CC1=O KMA0017 [0,1,0,0,0,1|2,0,0]=4 220 B10R1.25 CC1=C(C=O)C=CC(N)=N1 3414AJ [0,1,0,0,0,1|1,0,0]=3 221 B10R1.25 CC1=C(C=O)C=NC(Br)=C1 5663AC [0,1,0,0,0,1|1,0,0]=3 222 B10R1.25 CC1=CC(Br)=NC=C1C=O Z0096 [0,1,0,0,0,1|1,0,0]=3 223 B10R1.25 CC1=CN=C(C=O)C(C)=C1 Z0771 [0,1,0,0,0,1|1,0,0]=3 224 B10R1.25 CC1=NC(Br)=CC=C1C=O Y4718 [0,1,0,0,0,1|1,0,0]=3 225 B10R1.25 CC1=NC(F)=CC=C1C=O Z0986 [0,1,0,0,0,1|1,0,0]=3 226 B10R1.25 NC1=CC=C(C=O)C(Br)=C1 X5129 [0,1,0,0,0,1|2,0,0]=4 227 B10R1.25 O=CC1=C(Cl)N=C(Br)C=C1 Z3894 [0,1,0,0,0,1|2,0,0]=4 228 B10R1.25 O=CC1=CC=C(Br)C=C1I 2692AJ [0,1,0,0,0,1|2,0,0]=4 229 B10R1.25 O=CC1=CC=C(Br)N=C1Br Z0686 [0,1,0,0,0,1|2,0,0]=4 230 B10R1.25 O=CC1=CN=C(Br)C=C1Br 3733AA [0,1,0,0,0,1|2,0,0]=4 231 B10R1.25 O=CC1=CN=C(Cl)C=C1Br 1353AA [0,1,0,0,0,1|2,0,0]=4 232 B10R1.25 O=CC1=CN=C(F)C=C1Cl 4845AA [0,1,0,0,0,1|2,0,0]=4 233 B10R1.25 O=CC1=NC=C(Br)C=C1Br 4900AC [0,1,0,0,0,1|2,0,0]=4 234 B10R1.25 O=CC1=NC=C(Cl)C=C1Br Y3906 [0,1,0,0,0,1|2,0,0]=4 235 B10R1.25 O=CC1=NC=C(Cl)C=C1Cl W6408 [0,1,0,0,0,1|2,0,0]=4 236 B10R1.61 C=C(C)C1=C(C)C=CC=C1 5671AL [0,1,0,0,0,1|2,0,0]=4 237 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 2023AA [0,1,0,0,0,1|2,0,0]=4 238 B10R1.61 CC(=O)C1=C(N)C=CC=N1 4526AH [0,1,0,0,0,1|2,0,0]=4 239 B10R1.61 CC(=O)C1=C(O)C=NC=C1 Z4577 [0,1,0,0,0,1|2,0,0]=4 240 B10R1.61 CC(=O)C1=CC=NC=C1N 7556AJ [0,1,0,0,0,1|2,0,0]=4 241 B10R1.61 CC(=O)C1=CN=CC=C1C 7123AB [0,1,0,0,0,1|1,0,0]=3 242 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.61 CC1=C(C(=N)N)N=CC=C1 2362AJ [0,1,0,0,0,1|2,0,0]=4 244 B10R1.61 O=C(O)C1=C(I)N=CC=C1 1745AJ [0,1,0,0,0,1|2,0,0]=4 245 B10R1.245 CC1=C(C=O)C(Cl)=NC=C1 4138AC [0,1,0,0,0,1|1,0,0]=3 246 B10R1.245 CC1=C(C=O)C(F)=NC=C1 9122AB [0,1,0,0,0,1|1,0,0]=3 247 B10R1.245 NC1=CC=CC(F)=C1C=O 4704AD [0,1,0,0,0,1|2,0,0]=4 248 B10R1.245 O=CC1=C(Br)C=CN=C1Cl Z0013 [0,1,0,0,0,1|2,0,0]=4 249 B10R1.245 O=CC1=C(I)C=CNC1=O X5164 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.245 O=CC1=C(O)C=CC=C1O 5013AB [0,1,0,0,0,1|2,0,0]=4 251 B10R1.5 CCCN1C=CN=C1C=O 5172AD [0,2,0,0,0,0|1,0,0]=3 252 B10R1.39 CC(C)N1C=CC=C1C=O 7915AD [0,2,0,0,0,0|0,0,0]=2 253 B10R1.39 CC(C)N1C=CN=C1C=O 5072AE [0,2,0,0,0,0|1,0,0]=3 254 B10R1.39 CC(C)N1C=NC=C1C=O 4716AH [0,2,0,0,0,0|1,0,0]=3 255 B10R1.39 CCN1C=NC=C1C(=O)O 0303AD [0,2,0,0,0,0|1,0,0]=3 256 B10R1.39 CCN1N=CC=C1C(C)=O 3995AF [0,2,0,0,0,0|1,0,0]=3 257 B10R1.39 COC1=CSC=C1C(N)=O Y9743 [0,2,0,0,0,0|2,0,0]=4 258 B10R1.257 CCN1N=CC(Br)=C1C=O 7118AC [0,2,0,0,0,0|1,0,0]=3 259 B10R1.34 CC1=C(C)N(C)C(C=O)=N1 6234AD [0,2,0,0,0,0|1,0,0]=3 260 B10R1.34 CC1=CC(C=O)=C(C)N1C 5345AE [0,2,0,0,0,0|2,0,0]=4 261 B10R1.35 CN1C=C(C=O)C=C1C#N 5619AH [0,2,0,0,0,0|1,0,1]=4 262 B10R1.59 CC1=C(C(=O)O)C=C(Br)S1 3123AJ [0,2,0,0,0,0|2,0,0]=4 263 B10R1.59 CN1N=C(N)C=C1C(=O)O 0018AD [0,2,0,0,0,0|1,0,0]=3 264 B10R1.192 CN1N=CC(N)=C1C(=O)O 2611AJ [0,2,0,0,0,0|1,0,0]=3 265 B10R1.192 CN1N=CC(N)=C1C(N)=O 3355AF [0,2,0,0,0,0|1,0,0]=3 266 B10R1.64 CN1C=CC=C1CC(=O)O W4519 [0,2,0,0,0,0|0,0,0]=2 267 B10R1.64 CN1C=CN=C1CC(=O)O Y1955 [0,2,0,0,0,0|1,0,0]=3 268 B10R1.149 CC1=C(C(=O)NN)SC=C1 1206AE [0,2,0,0,0,0|2,0,0]=4 269 B10R1.149 CCC(=O)C1=C(C)SC=C1 Z6242 [0,2,0,0,0,0|2,0,0]=4 270 B10R1.149 CN1C=CC=C1C(=O)CCl 8011AD [0,2,0,0,0,0|0,0,0]=2 271 B10R1.149 CN1C=NC=C1C(=O)NN Y8378 [0,2,0,0,0,0|1,0,0]=3 272 B10R1.149 CN1N=CC=C1C(=O)NN 6634AD [0,2,0,0,0,0|1,0,0]=3 273 B10R1.149 COC(=O)C1=CN=NN1C 6902AJ [0,2,0,0,0,0|2,0,0]=4 274 B10R1.149 COC(=O)C1=NC=NN1C 5828AE [0,2,0,0,0,0|2,0,0]=4 275 B10R1.65 CN1N=CC=C1S(=O)(=O)Cl 0557AA [0,2,0,0,0,0|2,0,0]=4 276 B10R1.194 CC1=CC=C(C(=N)N)N1C 9088AE [0,2,0,0,0,0|1,0,0]=3 277 B10R1.194 CC1=CSC(C(=O)O)=C1C 4849AC [0,2,0,0,0,0|2,0,0]=4 278 B10R1.194 CN1C(C(=O)O)=CN=C1Br 0717AF [0,2,0,0,0,0|1,0,0]=3 279 B8R1.5 CC1=CC=CC=C1O Z3651 [0,0,1,1,0,0|1,0,1]=4 280 B8R1.4 CC1=CC(N)=CC=C1 5136AF [0,0,1,1,0,0|2,0,0]=4 281 B10R2.7 C1=CC2=CC=CN2C=C1 2610AB [0,0,0,1,0,1|1,0,1]=4 282 B10R2.7 C1=CN2C=CN=CC2=C1 W5053 [0,0,0,1,0,1|1,0,1]=4 283 B10R2.32 O=C1CCC2=C1SC=C2 W7014 [0,1,0,1,0,0|2,0,0]=4