0 B7R0.1 CCCC\C=C\CO 9204AL [0,0,0,0,0,0|0,0,2]=2 1 B7R0.1 CCCNCCCO 2264AL [0,0,0,0,0,0|1,0,3]=4 2 B7R0.1 CC\C=C\CCCC 9221AL [0,0,0,0,0,0|1,0,2]=3 3 B7R0.1 OCC\C=C\CCO 0001AQ [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 CCC\C=C/CO 7423AL [1,0,0,0,0,0|0,0,1]=2 5 B6R0.6 CCNCCCO 5711AJ [1,0,0,0,0,0|1,0,2]=4 6 B6R0.6 CCOCCCO D587 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.6 CC\C=C\CCC 9219AL [1,0,0,0,0,0|0,0,2]=3 8 B6R0.6 C\C=C/CCCC 7422AL [1,0,0,0,0,0|0,0,2]=3 9 B6R0.6 C\C=C/CCCCl 7455AL [1,0,0,0,0,0|1,0,2]=4 10 B6R0.6 C\C=C\CCCC 7780AF [1,0,0,0,0,0|0,0,2]=3 11 B6R0.6 C\C=C\SCCC U946 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.4 CCC\C=C/CCCC 7450AL [0,1,0,0,0,0|1,0,2]=4 13 B8R0.4 CC\C=C/CCCCO 7454AL [0,1,0,0,0,0|0,0,2]=3 14 B8R0.7 CCCC\C=C\C(=O)O 6400AD [0,1,0,0,0,0|0,0,3]=4 15 B8R1.2 CC[N+]1=CC=CC=C1 E438 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.2 ClCC1=NN=CC=C1 2587AB [0,0,0,1,0,0|3,0,0]=4 17 B8R1.2 NCC1=CC=CC=C1 7149AL [0,0,0,1,0,0|1,0,2]=4 18 B8R1.2 NCC1=CCCCC1 3737AB [0,0,0,1,0,0|1,0,2]=4 19 B8R1.2 NCC1=NN=CC=C1 5795AC [0,0,0,1,0,0|3,0,0]=4 20 B8R1.2 OCC1=CC=NC=N1 W5525 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.2 OCC1=CN=NC=C1 7045AB [0,0,0,1,0,0|2,0,1]=4 22 B8R1.2 OCC1=NC=CN=C1 W7769 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.2 OCC1=NN=CC=C1 W5830 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.2 SCC1=CC=CN=C1 Z2753 [0,0,0,1,0,0|1,1,1]=4 25 B8R1.5 CC1=CC=CC=C1O Z3651 [0,0,0,1,0,0|0,0,2]=3 26 B8R1.8 CCCC1=CC=CO1 Z5525 [0,0,0,1,0,0|0,0,2]=3 27 B8R1.8 CCCC1=CSC=C1 Z5466 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.8 CCCC1=NCCO1 5790AL [0,0,0,1,0,0|1,0,2]=4 29 B8R1.8 CCNC1=CC=CS1 W4294 [0,0,0,1,0,0|1,1,1]=4 30 B8R1.8 CNCC1=CC=NO1 4172AJ [0,0,0,1,0,0|2,0,1]=4 31 B8R1.8 OCCC1=CSC=C1 J11110 [0,0,0,1,0,0|1,0,2]=4 32 B8R1.8 OCCC1=NNC=C1 1008AJ [0,0,0,1,0,0|2,0,1]=4 33 B8R1.11 CC1=C(CN)C=CO1 8523AH [0,0,0,1,0,0|2,0,1]=4 34 B8R1.11 CC1=C(CO)OC=C1 6906AD [0,0,0,1,0,0|1,0,1]=3 35 B8R1.11 CC1=C(CO)OC=N1 3918AE [0,0,0,1,0,0|2,0,1]=4 36 B8R1.11 CC1=C(CO)SC=C1 W7564 [0,0,0,1,0,0|1,0,1]=3 37 B8R1.11 CN1C=CC=C1CN Y9856 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.11 CN1C=CC=C1CO 7329AB [0,0,0,1,0,0|1,0,0]=2 39 B8R1.11 CN1C=CN=C1CN 4586AA [0,0,0,1,0,0|3,0,0]=4 40 B8R1.11 CN1N=CN=C1CO 5420AC [0,0,0,1,0,0|3,0,0]=4 41 B8R1.11 NC1=C(CO)SC=C1 8607AH [0,0,0,1,0,0|2,0,1]=4 42 B8R1.49 C1=CCCCCC=C1 7920AF [0,0,0,1,0,0|1,0,0]=2 43 B5R0.2 C=CCOCC 5601AE [2,0,0,0,0,0|1,0,1]=4 44 B5R0.2 CC\C=C\C#N 5776AL [2,0,0,0,0,0|1,0,1]=4 45 B5R0.2 NC\C=C/CN Z2171 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.3 CCC\C=C(/C)CC 6104AL [1,1,0,0,0,0|0,0,2]=4 47 B7R0.3 C\C=C\CC(=O)OC 9761AJ [1,1,0,0,0,0|1,0,1]=4 48 B7R0.4 CCO\C=C\C(=O)Cl 6797AE [1,1,0,0,0,0|1,0,1]=4 49 B7R0.4 CC\C=C\CC(=O)O 7477AF [1,1,0,0,0,0|0,0,1]=3 50 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [1,1,0,0,0,0|2,0,0]=4 51 B7R0.7 CCOC(=O)\C=C/I 7873AL [1,1,0,0,0,0|2,0,0]=4 52 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [1,1,0,0,0,0|1,0,1]=4 53 B9R0.2 CCCC\C=C\CC(=O)O 7943AF [0,2,0,0,0,0|0,0,2]=4 54 B9R0.45 CCCCCC\C=C/CO 7426AL [0,2,0,0,0,0|0,0,2]=4 55 B9R0.45 CC\C=C\C\C=C\CCO 9173AL [0,2,0,0,0,0|0,0,0]=2 56 B7R1.1 CCC1=CC=NO1 3273AB [1,0,0,1,0,0|1,0,0]=3 57 B7R1.1 CCC1=CNC=N1 6226AL [1,0,0,1,0,0|2,0,0]=4 58 B7R1.1 CCC1=NNC=C1 6654AA [1,0,0,1,0,0|2,0,0]=4 59 B7R1.1 COC1=CC=CO1 2109AL [1,0,0,1,0,0|1,0,0]=3 60 B7R1.1 CSC1=NC=CO1 6777AD [1,0,0,1,0,0|2,0,0]=4 61 B7R1.1 ClCC1=CC=NO1 8534AB [1,0,0,1,0,0|2,0,0]=4 62 B7R1.1 NCC1=CC=CN1 W7617 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.1 NCC1=CC=NO1 6076AB [1,0,0,1,0,0|2,0,0]=4 64 B7R1.1 NCC1=NC=CO1 0960AA [1,0,0,1,0,0|2,0,0]=4 65 B7R1.1 OCC1=CNC=N1 W5446 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.1 OCC1=NNC=C1 X6393 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.3 CC1=CCC=CC1 7751AF [1,0,0,1,0,0|0,0,2]=4 68 B7R1.3 CC1C=CCCC1 6090AL [1,0,0,1,0,0|0,0,2]=4 69 B7R1.3 C[N+]1=CC=CC=C1 1581AB [1,0,0,1,0,0|1,0,1]=4 70 B7R1.3 C[N+]1=CC=CC=C1 K323 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.3 NC1CC=CCC1 3966AJ [1,0,0,1,0,0|1,0,1]=4 72 B7R1.3 O=C1C=CCCO1 X2978 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.4 CC1=CNC=C1C 2295AL [1,0,0,1,0,0|1,0,1]=4 74 B7R1.7 CO\C=C\C1CC1 8518AH [1,0,0,1,0,0|1,0,1]=4 75 B7R1.24 C1=CCCCCC1 7508AL [1,0,0,1,0,0|0,0,2]=4 76 B9R1.2 CC1=NC(CN)=CC=C1 6493AA [0,1,0,1,0,0|1,0,1]=4 77 B9R1.2 CC1=NC(CO)=NC=C1 Y3221 [0,1,0,1,0,0|1,0,1]=4 78 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [0,1,0,1,0,0|1,0,1]=4 79 B9R1.2 CCC1=CC(N)=CC=N1 5543AJ [0,1,0,1,0,0|1,0,1]=4 80 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [0,1,0,1,0,0|1,0,1]=4 81 B9R1.2 NC1=CC(CO)=CN=C1 Z2689 [0,1,0,1,0,0|1,0,1]=4 82 B9R1.2 NC1=CC(CO)=NC=C1 4757AJ [0,1,0,1,0,0|1,0,1]=4 83 B9R1.2 OC1=CC=CC(CBr)=C1 Y9989 [0,1,0,1,0,0|1,0,1]=4 84 B9R1.2 OCC1=CC(Cl)=CN=C1 V0671 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.2 OCC1=CC(I)=CN=C1 8710AE [0,1,0,1,0,0|1,0,1]=4 86 B9R1.2 OCC1=CC(S)=CC=C1 0333AF [0,1,0,1,0,0|0,0,2]=4 87 B9R1.2 OCC1=NC(I)=CC=C1 0674AF [0,1,0,1,0,0|1,0,1]=4 88 B9R1.7 CCOC1=CC(N)=NO1 5802AJ [0,1,0,1,0,0|2,0,0]=4 89 B9R1.8 BrCCC1=CC=CC=N1 5125AB [0,1,0,1,0,0|1,0,1]=4 90 B9R1.8 CNCC1=CC=CC=C1 3855AD [0,1,0,1,0,0|1,0,1]=4 91 B9R1.8 CNCC1=CC=CC=N1 0916AP [0,1,0,1,0,0|1,0,1]=4 92 B9R1.8 CNCC1=CC=CC=N1 7146AD [0,1,0,1,0,0|1,0,1]=4 93 B9R1.8 ClCCC1=NC=CC=C1 X6257 [0,1,0,1,0,0|1,0,1]=4 94 B9R1.8 NCCC1=CC=CC=C1 5784AL [0,1,0,1,0,0|1,0,1]=4 95 B9R1.8 NOCC1=CC=CN=C1 7306AJ [0,1,0,1,0,0|1,0,1]=4 96 B9R1.12 CCCCC1=CC=CO1 5552AL [0,1,0,1,0,0|0,0,2]=4 97 B9R1.12 NCCCC1=CC=CO1 3731AE [0,1,0,1,0,0|0,0,2]=4 98 B9R1.15 CC1=C(CBr)C=NC=C1 Y7235 [0,1,0,1,0,0|1,0,1]=4 99 B9R1.15 CC1=C(CBr)C=NC=C1 Z4138 [0,1,0,1,0,0|1,0,1]=4 100 B9R1.15 CC1=C(CN)C=CN=C1 Y4868 [0,1,0,1,0,0|1,0,1]=4 101 B9R1.15 CC1=CC=CN=C1CBr Y9115 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.15 CC1=CC=CN=C1CO 0931AC [0,1,0,1,0,0|0,0,1]=3 103 B9R1.15 CC1=NC=CC=C1CCl 8680AB [0,1,0,1,0,0|1,0,1]=4 104 B9R1.15 CC1=NC=CC=C1CN 8679AB [0,1,0,1,0,0|1,0,1]=4 105 B9R1.15 CCC1=C(Br)C=CN=C1 0440AA [0,1,0,1,0,0|1,0,1]=4 106 B9R1.15 CCC1=C(Br)C=NC=C1 W9928 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.15 CCC1=CC=CC=C1C Z4941 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.15 CCC1=CC=CN=C1Cl 6759AC [0,1,0,1,0,0|1,0,1]=4 109 B9R1.15 CCC1=CC=CN=C1N 5897AB [0,1,0,1,0,0|1,0,1]=4 110 B9R1.15 CCC1=CC=CNC1=O 9540AB [0,1,0,1,0,0|0,0,2]=4 111 B9R1.15 CCC1=[N+]([O-])C=CC=C1 7886AF [0,1,0,1,0,0|0,0,2]=4 112 B9R1.15 COC1=C(O)C=NC=C1 7687AA [0,1,0,1,0,0|1,0,1]=4 113 B9R1.15 NC1=C(CO)C=NC=C1 W3010 [0,1,0,1,0,0|1,0,1]=4 114 B9R1.15 OCC1=C(Br)C=CN=C1 W4176 [0,1,0,1,0,0|1,0,1]=4 115 B9R1.15 OCC1=C(Br)N=CC=C1 5882AA [0,1,0,1,0,0|1,0,1]=4 116 B9R1.15 OCC1=NC=CC=C1Br W6721 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.33 CN1C=CC=C1CCN 1703AL [0,1,0,1,0,0|2,0,0]=4 118 B9R1.33 CNCC1=CC=CN1C 0547AD [0,1,0,1,0,0|2,0,0]=4 119 B9R1.33 CNCC1=CC=CN1C 8584AD [0,1,0,1,0,0|2,0,0]=4 120 B9R1.14 CCN1C=CN=C1CN 2283AF [0,1,0,1,0,0|2,0,0]=4 121 B9R1.14 CCN1C=NC=C1CO 8643AH [0,1,0,1,0,0|1,0,0]=3 122 B9R1.14 CCN1N=CN=C1CO 0978AB [0,1,0,1,0,0|2,0,0]=4 123 B9R1.14 OCC1=C(CO)NC=N1 P509 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.14 OCC1=COC=C1CO 1327AQ [0,1,0,1,0,0|1,0,0]=3 125 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [0,1,0,1,0,0|1,0,1]=4 126 B9R1.1 CCC1=CC=C(S)C=C1 S243 [0,1,0,1,0,0|1,0,1]=4 127 B9R1.1 CCC1=CN=C(Cl)C=C1 4992AC [0,1,0,1,0,0|2,0,0]=4 128 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [0,1,0,1,0,0|2,0,0]=4 129 B9R1.1 NC1=CC=C(CO)C=N1 U962 [0,1,0,1,0,0|1,0,1]=4 130 B9R1.1 OCC1=CC=C(Cl)N=N1 0342AA [0,1,0,1,0,0|2,0,0]=4 131 B9R1.1 OCC1=NC=C(F)C=C1 3321AB [0,1,0,1,0,0|1,0,1]=4 132 B9R1.11 O=C(CBr)C1=CC=CO1 Y7600 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.21 CCC1=CC=C(CC)O1 Z5436 [0,1,0,1,0,0|1,0,0]=3 134 B9R1.21 CCN1C=C(CO)C=N1 5070AC [0,1,0,1,0,0|2,0,0]=4 135 B9R1.21 CCN1C=CC(CN)=N1 4395AF [0,1,0,1,0,0|2,0,0]=4 136 B9R1.21 N#CC1=CC=C(CO)S1 8871AA [0,1,0,1,0,0|1,0,1]=4 137 B9R1.21 O=CC1=CC=C(CO)N1 0366AC [0,1,0,1,0,0|1,0,1]=4 138 B9R1.132 CC1=CC=C(CN)N1C 0667AD [0,1,0,1,0,0|2,0,0]=4 139 B9R1.132 CN1C(Br)=CN=C1CO 3457AC [0,1,0,1,0,0|2,0,0]=4 140 B9R1.132 CN1C(CO)=CN=C1N Z5989 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.132 CN1C(Cl)=CN=C1CO 0565AE [0,1,0,1,0,0|2,0,0]=4 142 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.6 CC(Cl)C1=NC=CC=C1 1002AJ [0,1,0,1,0,0|1,0,1]=4 144 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [0,1,0,1,0,0|1,0,1]=4 145 B9R1.6 C[C@H](N)C1=CC=CN=C1 2674AB [0,1,0,1,0,0|2,0,0]=4 146 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [0,1,0,1,0,0|1,0,1]=4 147 B9R1.13 CC(N)CC1=CC=CO1 8493AB [0,1,0,1,0,0|0,0,2]=4 148 B9R1.13 CC(O)CC1=CC=CO1 6519AJ [0,1,0,1,0,0|0,0,2]=4