0 B5R0.2 C=CC\C=C/C 0307AQ [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 CCC#CCCl 4814AL [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 CCCC#CI 4943AL [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 CCSCCN 4637AB [0,0,0,0,0,0|2,0,0]=2 4 B5R0.2 O=CNCCO 0539AQ [0,0,0,0,0,0|4,0,0]=4 5 B4R0.2 C=C=CCC 4475AL [1,0,0,0,0,0|1,0,2]=4 6 B4R0.2 CCC=NO 0148AQ [1,0,0,0,0,0|2,0,1]=4 7 B4R0.2 CCSCC E138 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.2 CNCCBr 8487AH [1,0,0,0,0,0|2,0,0]=3 9 B4R0.2 CNCCF 1721AJ [1,0,0,0,0,0|2,0,0]=3 10 B4R0.2 CNCCF 8506AH [1,0,0,0,0,0|2,0,0]=3 11 B4R0.2 CSCCN 6224AD [1,0,0,0,0,0|0,0,0]=1 12 B4R0.2 C\C=C/CO 5583AB [1,0,0,0,0,0|1,0,2]=4 13 B4R0.2 C\C=C\CBr 8491AJ [1,0,0,0,0,0|1,0,2]=4 14 B4R0.2 NCCON 6473AB [1,0,0,0,0,0|1,1,0]=3 15 B6R0.1 CC(CN)CCN 8800AC [0,1,0,0,0,0|2,0,0]=3 16 B6R0.1 CCCC(=O)OC 8838AJ [0,1,0,0,0,0|1,1,1]=4 17 B6R0.1 CCCC(Cl)CC 6028AL [0,1,0,0,0,0|2,0,0]=3 18 B6R0.1 CCCC(Cl)CCl 7311AF [0,1,0,0,0,0|2,0,0]=3 19 B6R0.1 CCNC(C)CO 8218AD [0,1,0,0,0,0|3,0,0]=4 20 B6R0.1 CCOC(C)CO 2072AL [0,1,0,0,0,0|3,0,0]=4 21 B6R0.1 CCOC(Cl)CCl V0733 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.1 CNCC(C)CN 8369AL [0,1,0,0,0,0|1,0,0]=2 23 B6R0.1 COC(=N)CCCl 3040AC [0,1,0,0,0,0|1,1,1]=4 24 B6R0.1 COC(=N)CCCl W4440 [0,1,0,0,0,0|1,1,1]=4 25 B6R0.1 COC[C@H](C)CO 5230AC [0,1,0,0,0,0|1,1,0]=3 26 B6R0.1 OCC[C@@H](O)CO W7968 [0,1,0,0,0,0|3,0,0]=4 27 B6R0.4 CC(C)=CCCO 1893AC [0,1,0,0,0,0|2,0,1]=4 28 B6R0.4 CC(N)CCCN U481 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.4 CCCC[Sn](=O)O 8518AL [0,1,0,0,0,0|3,0,0]=4 30 B6R0.4 CCOCC(C)N 0535AD [0,1,0,0,0,0|2,0,0]=3 31 B6R0.6 C#CCOCCN 4990AL [0,1,0,0,0,0|1,0,1]=3 32 B6R0.6 CC=C=CCCO 1076AQ [0,1,0,0,0,0|2,0,1]=4 33 B6R0.6 CCCSCCN 1695AE [0,1,0,0,0,0|1,0,0]=2 34 B6R0.6 COCCCC=O Y8222 [0,1,0,0,0,0|1,1,0]=3 35 B6R0.6 N#CCCCCS 1133AQ [0,1,0,0,0,0|1,0,2]=4 36 B6R0.6 NNCCCCO 2732AL [0,1,0,0,0,0|2,0,0]=3 37 B6R1.1 C1CSCCS1 U566 [0,0,0,1,0,0|2,0,0]=3 38 B6R1.2 BrC1CCNC1 Z2707 [0,0,0,1,0,0|2,0,0]=3 39 B6R1.2 CC1=CCCO1 0728AQ [0,0,0,1,0,0|2,0,1]=4 40 B6R1.2 ClC1CCOC1 X2032 [0,0,0,1,0,0|1,1,0]=3 41 B6R1.2 OC1CCSC1 Y1949 [0,0,0,1,0,0|1,0,0]=2 42 B6R1.2 OC1CNOC1 0177AF [0,0,0,1,0,0|2,1,0]=4 43 B6R1.3 C#CCC1CC1 Y1476 [0,0,0,1,0,0|2,0,1]=4 44 B6R1.4 NC1CCC1=O V9854 [0,0,0,1,0,0|2,0,0]=3 45 B6R1.6 ClCC1COC1 2027AJ [0,0,0,1,0,0|1,1,0]=3 46 B6R1.8 CCC1CC1N 1705AJ [0,0,0,1,0,0|1,0,0]=2 47 B3R0.1 FCCF 6901AE [2,0,0,0,0,0|2,0,0]=4 48 B3R0.1 NCCN Y1426 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.1 CC(C)CNN X2968 [1,1,0,0,0,0|1,0,0]=3 50 B5R0.1 CC(O)CNN 6211AD [1,1,0,0,0,0|1,0,0]=3 51 B5R0.1 CNCC(F)F 8439AH [1,1,0,0,0,0|2,0,0]=4 52 B5R0.1 C[C@H](N)CC#N 0475AC [1,1,0,0,0,0|0,0,2]=4 53 B5R0.1 C[C@H](O)CC#N 4512AA [1,1,0,0,0,0|0,0,2]=4 54 B5R0.1 NCCC(N)=O 6432AB [1,1,0,0,0,0|0,1,1]=4 55 B5R0.3 CC(CO)CBr Z3560 [1,1,0,0,0,0|1,1,0]=4 56 B5R0.3 CC[C@@H](C)CO 1205AL [1,1,0,0,0,0|1,0,0]=3 57 B5R0.3 CC[SiH](C)CC 8570AJ [1,1,0,0,0,0|1,1,0]=4 58 B5R0.3 CN[C@H](C)CO X7939 [1,1,0,0,0,0|2,0,0]=4 59 B5R0.3 COC(C)CN 8504AE [1,1,0,0,0,0|0,1,0]=3 60 B5R0.3 C[C@@H](CN)CO 1849AF [1,1,0,0,0,0|0,1,0]=3 61 B5R0.3 NC(CO)CO V0534 [1,1,0,0,0,0|1,1,0]=4 62 B5R0.3 OC(CI)CI 7596AB [1,1,0,0,0,0|2,0,0]=4 63 B7R0.2 CC(CO)CN(C)C 0615AE [0,2,0,0,0,0|2,0,0]=4 64 B7R0.2 CNC(=O)CC(C)N 5418AE [0,2,0,0,0,0|1,0,1]=4 65 B7R0.2 COC(=O)CC(C)N TMBA004 [0,2,0,0,0,0|0,1,1]=4 66 B7R0.2 NC[C@@H](N)CC(=O)O 6866AA [0,2,0,0,0,0|2,0,0]=4 67 B7R0.2 NC[C@H](N)CC(=O)O 6865AA [0,2,0,0,0,0|2,0,0]=4 68 B7R0.3 CCCCC(=O)CCl 6831AD [0,2,0,0,0,0|2,0,0]=4 69 B7R0.3 CCCOC(C)CN 1653AF [0,2,0,0,0,0|1,0,0]=3 70 B7R0.3 CNC(=O)CCCO 2742AL [0,2,0,0,0,0|2,0,0]=4 71 B7R0.3 COCO[C@@H](C)CO X7350 [0,2,0,0,0,0|1,1,0]=4 72 B7R0.3 C\C=C\CC(C)CC 6795AL [0,2,0,0,0,0|2,0,0]=4 73 B7R0.5 CC(CCN)C(=O)O 5853AB [0,2,0,0,0,0|2,0,0]=4 74 B7R0.5 CCCC(C)C(C)=O 2081AB [0,2,0,0,0,0|2,0,0]=4 75 B7R0.5 CCCC(C)C(C)C 5237AL [0,2,0,0,0,0|2,0,0]=4 76 B7R0.5 COCC(N)C(C)C 0220AD [0,2,0,0,0,0|1,1,0]=4 77 B7R0.5 COC[C@@H](N)C(C)C 8567AH [0,2,0,0,0,0|1,1,0]=4 78 B7R0.5 COC[C@H](N)C(C)C 8543AH [0,2,0,0,0,0|1,1,0]=4 79 B7R0.5 NCCC(F)C(=O)O 0888AE [0,2,0,0,0,0|2,0,0]=4 80 B7R0.5 NCCC(N)C(=O)O 3213AB [0,2,0,0,0,0|2,0,0]=4 81 B7R0.7 CCC[C@H](N)CCO 0636AC [0,2,0,0,0,0|2,0,0]=4 82 B7R0.7 CCC[C@H](N)CCO 9828AB [0,2,0,0,0,0|2,0,0]=4 83 B7R0.10 COC(=O)C(O)CN 7006AJ [0,2,0,0,0,0|0,1,1]=4 84 B7R0.10 NC[C@H](O)[C@H](O)CN 0205AQ [0,2,0,0,0,0|2,0,0]=4 85 B7R0.11 CCCC(C)(C)CC 5876AL [0,2,0,0,0,0|2,0,0]=4 86 B7R0.11 CNS(=O)(=O)CCN W9718 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.4 CC(C)NCCCN 0603AE [0,2,0,0,0,0|1,0,0]=3 88 B7R0.4 CC(O)CCCCO 7560AF [0,2,0,0,0,0|2,0,0]=4 89 B7R0.4 CCCCC[C@@H](C)N Z2122 [0,2,0,0,0,0|1,0,0]=3 90 B7R0.4 CN(C)CCCC=O 5485AH [0,2,0,0,0,0|2,0,0]=4 91 B7R0.4 NCCNCC(=O)O W4767 [0,2,0,0,0,0|2,0,0]=4 92 B7R0.6 CC(N)CCN(C)C 6120AD [0,2,0,0,0,0|1,0,0]=3 93 B7R0.8 CC(C)(O)CCCO 2777AL [0,2,0,0,0,0|2,0,0]=4 94 B7R0.8 CS(=O)(=O)CCCN Y9638 [0,2,0,0,0,0|0,0,1]=3 95 B7R0.8 CS(=O)(=O)CCC[NH3+] 8708AD [0,2,0,0,0,0|0,0,2]=4 96 B7R0.1 CCCCCCNC Y1198 [0,2,0,0,0,0|1,0,0]=3 97 B7R0.1 CCCCNCCC 6811AD [0,2,0,0,0,0|2,0,0]=4 98 B7R0.1 CC\C=C/CCCC 7443AL [0,2,0,0,0,0|2,0,0]=4 99 B7R0.1 COCCCCCBr Y7509 [0,2,0,0,0,0|1,1,0]=4 100 B7R0.1 COCOCCC#N 5718AJ [0,2,0,0,0,0|0,1,1]=4 101 B7R0.1 COCOCCC=O 5717AJ [0,2,0,0,0,0|1,1,0]=4 102 B5R1.2 BrC1CNC1 1820AC [1,0,0,1,0,0|2,0,0]=4 103 B5R1.2 FC1CNC1 W7888 [1,0,0,1,0,0|2,0,0]=4 104 B5R1.2 FC1COC1 8722AD [1,0,0,1,0,0|1,1,0]=4 105 B5R1.2 NC1CSC1 V9418 [1,0,0,1,0,0|0,0,0]=2 106 B5R1.3 ICC1CO1 1811AL [1,0,0,1,0,0|1,1,0]=4 107 B5R1.3 NNC1CC1 3561AA [1,0,0,1,0,0|1,0,0]=3 108 B7R1.1 BrCC1CCCN1 X4014 [0,1,0,1,0,0|1,0,0]=3 109 B7R1.1 C#C[C@@H]1CCCN1 1083AL [0,1,0,1,0,0|1,0,1]=4 110 B7R1.1 CCC1=CCCC1 4839AL [0,1,0,1,0,0|2,0,0]=4 111 B7R1.1 CCC1OCCO1 8516AD [0,1,0,1,0,0|2,0,0]=4 112 B7R1.1 CNC1CCCC1 W8261 [0,1,0,1,0,0|1,0,0]=3 113 B7R1.1 CNC1CCOC1 2338AF [0,1,0,1,0,0|0,1,0]=3 114 B7R1.1 CN[C@H]1CCOC1 9230AH [0,1,0,1,0,0|0,1,0]=3 115 B7R1.1 ClCC1CCCN1 1675AJ [0,1,0,1,0,0|1,0,0]=3 116 B7R1.1 ClCC1CCNC1 3920AC [0,1,0,1,0,0|2,0,0]=4 117 B7R1.1 ClCC1CCNC1 5321AH [0,1,0,1,0,0|2,0,0]=4 118 B7R1.1 ClC[C@H]1CCCN1 8958AH [0,1,0,1,0,0|1,0,0]=3 119 B7R1.1 FC[C@@H]1CCCN1 1290AF [0,1,0,1,0,0|1,0,0]=3 120 B7R1.1 FC[C@@H]1CCCN1 2327AC [0,1,0,1,0,0|1,0,0]=3 121 B7R1.1 N#CC1CCCN1 3470AA [0,1,0,1,0,0|1,0,1]=4 122 B7R1.1 N#C[C@H]1CCCN1 0400AC [0,1,0,1,0,0|1,0,1]=4 123 B7R1.1 NNC1CCCC1 W7612 [0,1,0,1,0,0|1,0,0]=3 124 B7R1.1 NN[C@H]1CCOC1 8686AH [0,1,0,1,0,0|0,1,0]=3 125 B7R1.1 OC[C@@H]1CCOC1 4598AA [0,1,0,1,0,0|1,1,0]=4 126 B7R1.2 CC1CNC(=O)C1 X7991 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.2 CN1CC[C@H](N)C1 7273AD [0,1,0,1,0,0|1,0,0]=3 128 B7R1.2 CN1CC[C@H](N)C1 9108AH [0,1,0,1,0,0|1,0,0]=3 129 B7R1.2 C[C@@H]1C[C@@H](O)CN1 0634AC [0,1,0,1,0,0|1,0,0]=3 130 B7R1.2 C[C@H]1CC[C@@H](C)C1 7413AL [0,1,0,1,0,0|2,0,0]=4 131 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [0,1,0,1,0,0|1,0,0]=3 132 B7R1.2 NC1CCC(O)C1 6561AA [0,1,0,1,0,0|1,0,0]=3 133 B7R1.2 N[C@@H]1CC[C@H](O)C1 0868AA [0,1,0,1,0,0|1,0,0]=3 134 B7R1.2 N[C@@H]1CNC(=O)C1 9184AH [0,1,0,1,0,0|1,0,1]=4 135 B7R1.2 N[C@H]1CC[C@H](O)C1 Z1703 [0,1,0,1,0,0|1,0,0]=3 136 B7R1.2 N[C@H]1CNC(=O)C1 9015AH [0,1,0,1,0,0|1,0,1]=4 137 B7R1.2 O=C1CCC(F)C1 3909AA [0,1,0,1,0,0|2,0,0]=4 138 B7R1.2 O=C1C[C@@H](S)CN1 1221AL [0,1,0,1,0,0|2,0,0]=4 139 B7R1.3 BrC1CCCNC1 7813AB [0,1,0,1,0,0|1,0,0]=3 140 B7R1.3 CC1=NCCNC1 3262AJ [0,1,0,1,0,0|1,0,1]=4 141 B7R1.3 ClC1CCCNC1 5322AH [0,1,0,1,0,0|1,0,0]=3 142 B7R1.3 ClC1CCCNC1 X3740 [0,1,0,1,0,0|1,0,0]=3 143 B7R1.3 NC1CC=CCC1 3965AJ [0,1,0,1,0,0|1,0,0]=3 144 B7R1.3 N[C@H]1CC=CCC1 8362AH [0,1,0,1,0,0|1,0,0]=3 145 B7R1.3 O=C1CNCCO1 W6328 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.3 OC1C=CCNC1 9590AH [0,1,0,1,0,0|1,0,1]=4 147 B7R1.4 BrC1CCCC1Br 1288AQ [0,1,0,1,0,0|2,0,0]=4 148 B7R1.4 CC1CNCC1C 1532AC [0,1,0,1,0,0|2,0,0]=4 149 B7R1.4 CC1CNCC1C 7526AB [0,1,0,1,0,0|2,0,0]=4 150 B7R1.4 CC1CSCC1=O 6972AB [0,1,0,1,0,0|1,0,1]=4 151 B7R1.4 NC1CCCC1N 3230AL [0,1,0,1,0,0|1,0,0]=3 152 B7R1.4 N[C@H]1CCC[C@H]1O 3503AB [0,1,0,1,0,0|1,0,0]=3 153 B7R1.4 N[C@H]1CCSC1=O 1317AA [0,1,0,1,0,0|0,0,1]=3 154 B7R1.4 O=C1NCCC1Br 2391AL [0,1,0,1,0,0|2,0,0]=4 155 B7R1.4 O[C@H]1COC[C@@H]1O 1117AL [0,1,0,1,0,0|1,1,0]=4 156 B7R1.6 COCC1CNC1 6089AC [0,1,0,1,0,0|0,1,0]=3 157 B7R1.6 NCCC1COC1 4766AA [0,1,0,1,0,0|0,1,0]=3 158 B7R1.6 NNCC1CCC1 4798AC [0,1,0,1,0,0|1,0,0]=3 159 B7R1.6 O=CCC1CCC1 0019AC [0,1,0,1,0,0|2,0,0]=4 160 B7R1.10 COC1CC(N)C1 2730AD [0,1,0,1,0,0|0,1,0]=3 161 B7R1.10 NCC1CC(O)C1 8510AA [0,1,0,1,0,0|1,0,0]=3 162 B7R1.10 NC[C@H]1C[C@H](O)C1 2731AD [0,1,0,1,0,0|1,0,0]=3 163 B7R1.10 N[C@H]1C[C@@H](CO)C1 6981AA [0,1,0,1,0,0|2,0,0]=4 164 B7R1.10 O=C1CC(CCl)C1 2253AL [0,1,0,1,0,0|2,0,0]=4 165 B7R1.22 NC(CO)C1CC1 X3745 [0,1,0,1,0,0|2,0,0]=4 166 B7R1.25 CC1(CN)CCC1 4636AA [0,1,0,1,0,0|1,0,0]=3 167 B7R1.25 CC1(CN)CCC1 5818AC [0,1,0,1,0,0|1,0,0]=3 168 B7R1.25 NCC1(N)CCC1 2232AC [0,1,0,1,0,0|1,0,0]=3 169 B7R1.7 COCNC1CC1 X2089 [0,1,0,1,0,0|1,1,0]=4 170 B7R1.7 O=CCCC1CC1 8213AB [0,1,0,1,0,0|2,0,0]=4 171 B7R1.7 OCCCC1CC1 8212AB [0,1,0,1,0,0|2,0,0]=4 172 B7R1.12 CC1CC1C(N)=O 0078AF [0,1,0,1,0,0|1,0,1]=4 173 B7R1.14 CC1(N)CCCC1 0991AQ [0,1,0,1,0,0|1,0,0]=3 174 B7R1.14 C[Si]1(C)CCCC1 3234AL [0,1,0,1,0,0|2,0,0]=4 175 B7R1.18 O=C(O)C1CSC1 1921AC [0,1,0,1,0,0|1,0,1]=4 176 B7R1.20 N=C(N)CC1CC1 0968AB [0,1,0,1,0,0|1,0,1]=4 177 B7R1.24 C1=CCCNCC1 X2002 [0,1,0,1,0,0|1,0,1]=4 178 B7R1.24 C1CCCOCC1 8040AL [0,1,0,1,0,0|1,1,0]=4 179 B7R2.13 C1CC2CC2N1 1554AJ [0,0,0,2,0,0|1,0,0]=3 180 B7R2.11 C1NC2CC1C2 Z1878 [0,0,0,2,0,0|1,0,0]=3 181 B7R2.1 C1CC1C2CO2 9404AJ [0,0,0,2,0,0|1,1,0]=4 182 B7R2.3 NC1CC12CC2 4497AJ [0,0,0,2,0,0|1,0,0]=3