0 B6R0.6 C#CCOCCN 4990AL [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 CC=C=CCCO 1076AQ [0,0,0,0,0,0|1,0,2]=3 2 B6R0.6 CCCSCCN 1695AE [0,0,0,0,0,0|3,0,0]=3 3 B6R0.6 COCCCC=O Y8222 [0,0,0,0,0,0|0,1,2]=3 4 B6R0.6 N#CCCCCS 1133AQ [0,0,0,0,0,0|2,1,0]=3 5 B6R0.6 NNCCCCO 2732AL [0,0,0,0,0,0|2,0,0]=2 6 B5R0.2 CCC#CCCl 4814AL [1,0,0,0,0,0|1,0,2]=4 7 B5R0.2 CCCC#CI 4943AL [1,0,0,0,0,0|1,0,2]=4 8 B5R0.2 CCSCCN 4637AB [1,0,0,0,0,0|2,0,0]=3 9 B5R0.2 O=CNCCO 0539AQ [1,0,0,0,0,0|1,1,1]=4 10 B5R0.2 OC\C=C\CCl 9318AA [1,0,0,0,0,0|1,0,2]=4 11 B5R0.2 OC\C=C\CO Z3450 [1,0,0,0,0,0|0,1,2]=4 12 B7R0.1 CCCCCCNC Y1198 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.1 CCCCNCCC 6811AD [0,1,0,0,0,0|2,0,0]=3 14 B7R0.1 CC\C=C/CCCC 7443AL [0,1,0,0,0,0|2,0,1]=4 15 B7R0.1 COCCCCCBr Y7509 [0,1,0,0,0,0|1,1,0]=3 16 B7R0.1 COCOCCC#N 5718AJ [0,1,0,0,0,0|1,1,1]=4 17 B7R0.1 COCOCCC=O 5717AJ [0,1,0,0,0,0|0,1,2]=4 18 B7R0.1 C\C=C\C#CCCO 7743AC [0,1,0,0,0,0|1,0,2]=4 19 B7R0.3 C=CCCC(O)CCl 0700AA [0,1,0,0,0,0|2,0,1]=4 20 B7R0.3 CCCCC(=O)CCl 6831AD [0,1,0,0,0,0|2,0,1]=4 21 B7R0.3 CCCOC(C)CN 1653AF [0,1,0,0,0,0|3,0,0]=4 22 B7R0.3 CNC(=O)CCCO 2742AL [0,1,0,0,0,0|1,0,1]=3 23 B7R0.3 COCO[C@@H](C)CO X7350 [0,1,0,0,0,0|1,1,0]=3 24 B7R0.3 C\C=C\CC(C)CC 6795AL [0,1,0,0,0,0|2,0,1]=4 25 B7R0.4 CC(C)=C=CCCO 0509AQ [0,1,0,0,0,0|1,0,2]=4 26 B7R0.4 CC(C)NCCCN 0603AE [0,1,0,0,0,0|3,0,0]=4 27 B7R0.4 CC(O)CCCCO 7560AF [0,1,0,0,0,0|1,0,0]=2 28 B7R0.4 CCCCC[C@@H](C)N Z2122 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.4 CN(C)CCCC=O 5485AH [0,1,0,0,0,0|1,0,2]=4 30 B7R0.7 CCC[C@H](N)CCO 0636AC [0,1,0,0,0,0|1,0,0]=2 31 B7R0.7 CCC[C@H](N)CCO 9828AB [0,1,0,0,0,0|1,0,0]=2 32 B7R1.1 BrCC1CCCN1 X4014 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.1 C#C[C@@H]1CCCN1 1083AL [0,0,0,1,0,0|2,0,1]=4 34 B7R1.1 CCC1=CCCC1 4839AL [0,0,0,1,0,0|2,0,1]=4 35 B7R1.1 CCC1OCCO1 8516AD [0,0,0,1,0,0|2,0,0]=3 36 B7R1.1 CNC1CCCC1 W8261 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.1 CNC1CCOC1 2338AF [0,0,0,1,0,0|2,1,0]=4 38 B7R1.1 CN[C@H]1CCOC1 9230AH [0,0,0,1,0,0|2,1,0]=4 39 B7R1.1 ClCC1CCCN1 1675AJ [0,0,0,1,0,0|3,0,0]=4 40 B7R1.1 ClCC1CCNC1 3920AC [0,0,0,1,0,0|2,0,0]=3 41 B7R1.1 ClCC1CCNC1 5321AH [0,0,0,1,0,0|2,0,0]=3 42 B7R1.1 ClC[C@H]1CCCN1 8958AH [0,0,0,1,0,0|3,0,0]=4 43 B7R1.1 FC[C@@H]1CCCN1 1290AF [0,0,0,1,0,0|3,0,0]=4 44 B7R1.1 FC[C@@H]1CCCN1 2327AC [0,0,0,1,0,0|3,0,0]=4 45 B7R1.1 N#CC1CCCN1 3470AA [0,0,0,1,0,0|3,0,0]=4 46 B7R1.1 N#CC1CCCS1 2151AA [0,0,0,1,0,0|2,1,0]=4 47 B7R1.1 N#C[C@H]1CCCN1 0400AC [0,0,0,1,0,0|3,0,0]=4 48 B7R1.1 NNC1CCCC1 W7612 [0,0,0,1,0,0|3,0,0]=4 49 B7R1.1 NN[C@H]1CCOC1 8686AH [0,0,0,1,0,0|2,1,0]=4 50 B7R1.1 OC[C@@H]1CCOC1 4598AA [0,0,0,1,0,0|0,1,0]=2 51 B7R1.3 BrC1CCCNC1 7813AB [0,0,0,1,0,0|2,0,0]=3 52 B7R1.3 CC1=NCCNC1 3262AJ [0,0,0,1,0,0|3,0,0]=4 53 B7R1.3 ClC1C=CCCC1 6027AL [0,0,0,1,0,0|2,0,1]=4 54 B7R1.3 ClC1CCCNC1 5322AH [0,0,0,1,0,0|2,0,0]=3 55 B7R1.3 ClC1CCCNC1 X3740 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.3 NC1CC=CCC1 3965AJ [0,0,0,1,0,0|2,0,1]=4 57 B7R1.3 N[C@H]1CC=CCC1 8362AH [0,0,0,1,0,0|2,0,1]=4 58 B7R1.3 O=C1CNCCO1 W6328 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.3 OC1C=CCNC1 9590AH [0,0,0,1,0,0|1,0,2]=4 60 B7R1.4 BrC1CCCC1Br 1288AQ [0,0,0,1,0,0|3,0,0]=4 61 B7R1.4 CC1CNCC1C 1532AC [0,0,0,1,0,0|3,0,0]=4 62 B7R1.4 CC1CNCC1C 7526AB [0,0,0,1,0,0|3,0,0]=4 63 B7R1.4 NC1CCCC1N 3230AL [0,0,0,1,0,0|3,0,0]=4 64 B7R1.4 N[C@H]1CCC[C@H]1O 3503AB [0,0,0,1,0,0|2,0,0]=3 65 B7R1.4 O[C@H]1COC[C@@H]1O 1117AL [0,0,0,1,0,0|3,0,0]=4 66 B7R1.6 COCC1CNC1 6089AC [0,0,0,1,0,0|2,1,0]=4 67 B7R1.6 NCCC1COC1 4766AA [0,0,0,1,0,0|1,1,0]=3 68 B7R1.6 NNCC1CCC1 4798AC [0,0,0,1,0,0|3,0,0]=4 69 B7R1.6 O=CCC1CCC1 0019AC [0,0,0,1,0,0|1,0,2]=4 70 B7R1.7 COCNC1CC1 X2089 [0,0,0,1,0,0|2,1,0]=4 71 B7R1.7 O=CCCC1CC1 8213AB [0,0,0,1,0,0|1,0,2]=4 72 B7R1.7 OCCCC1CC1 8212AB [0,0,0,1,0,0|1,0,0]=2 73 B7R1.24 C1CCCOCC1 8040AL [0,0,0,1,0,0|1,0,0]=2 74 B4R0.2 CCC=NO 0148AQ [2,0,0,0,0,0|1,0,1]=4 75 B4R0.2 CCSCC E138 [2,0,0,0,0,0|1,0,0]=3 76 B4R0.2 CNCCBr 8487AH [2,0,0,0,0,0|2,0,0]=4 77 B4R0.2 CNCCF 1721AJ [2,0,0,0,0,0|2,0,0]=4 78 B4R0.2 CNCCF 8506AH [2,0,0,0,0,0|2,0,0]=4 79 B4R0.2 CSCCN 6224AD [2,0,0,0,0,0|1,0,0]=3 80 B4R0.2 C\C=C/CO 5583AB [2,0,0,0,0,0|0,0,2]=4 81 B6R0.1 CC(CN)CCN 8800AC [1,1,0,0,0,0|2,0,0]=4 82 B6R0.1 CCCC(=O)OC 8838AJ [1,1,0,0,0,0|0,1,1]=4 83 B6R0.1 CCCC(Cl)CC 6028AL [1,1,0,0,0,0|1,0,0]=3 84 B6R0.1 CCCC(Cl)CCl 7311AF [1,1,0,0,0,0|1,0,0]=3 85 B6R0.1 CCNC(C)CO 8218AD [1,1,0,0,0,0|1,0,0]=3 86 B6R0.1 CCOC(C)CO 2072AL [1,1,0,0,0,0|1,0,0]=3 87 B6R0.1 CCOC(Cl)CCl V0733 [1,1,0,0,0,0|2,0,0]=4 88 B6R0.1 CNCC(C)CN 8369AL [1,1,0,0,0,0|2,0,0]=4 89 B6R0.1 COC[C@H](C)CO 5230AC [1,1,0,0,0,0|0,1,0]=3 90 B6R0.1 OCC[C@@H](O)CO W7968 [1,1,0,0,0,0|0,1,0]=3 91 B6R0.4 CC(C)=CCCO 1893AC [1,1,0,0,0,0|0,0,2]=4 92 B6R0.4 CC(N)CCCN U481 [1,1,0,0,0,0|1,0,0]=3 93 B6R0.4 CCCC[Sn](=O)O 8518AL [1,1,0,0,0,0|1,0,0]=3 94 B6R0.4 CCOCC(C)N 0535AD [1,1,0,0,0,0|2,0,0]=4 95 B8R0.1 CCCCC(O)CCC 7995AF [0,2,0,0,0,0|2,0,0]=4 96 B8R0.1 CCCC[C@H](N)CCO 2562AA [0,2,0,0,0,0|1,0,0]=3 97 B8R0.4 CCCCCC\C=C\I 0029AQ [0,2,0,0,0,0|2,0,0]=4 98 B8R0.4 O=CCCCCCCBr 3685AJ [0,2,0,0,0,0|1,0,1]=4 99 B8R0.6 CCCCCC(C)CC 6116AL [0,2,0,0,0,0|2,0,0]=4 100 B8R0.6 CCCCCC(O)CCl 7654AB [0,2,0,0,0,0|1,0,0]=3 101 B8R0.6 CCCCOC(C)CC AMTGC741 [0,2,0,0,0,0|2,0,0]=4 102 B8R0.6 CC[C@H](C)CCCCO 4205AL [0,2,0,0,0,0|1,0,0]=3 103 B8R0.7 C=C(Br)CCCCCC 3761AD [0,2,0,0,0,0|2,0,0]=4 104 B8R0.7 CC(C)CCCCCBr 4961AE [0,2,0,0,0,0|2,0,0]=4 105 B8R0.7 CC(C)CCCCCN 8012AF [0,2,0,0,0,0|2,0,0]=4 106 B8R0.7 CCCCCCC(C)C 5738AL [0,2,0,0,0,0|2,0,0]=4 107 B8R0.7 CCCCCC[N+](=O)[O-] 7544AF [0,2,0,0,0,0|1,0,1]=4 108 B8R0.7 CCCCOCC(C)C AMTGC740 [0,2,0,0,0,0|2,0,0]=4 109 B8R0.7 O=[N+]([O-])OCCCCO 7808AD [0,2,0,0,0,0|1,1,0]=4 110 B8R0.3 CCCC(C)C(C)CC 5906AL [0,2,0,0,0,0|2,0,0]=4 111 B8R0.8 CSCCC(O)C(=O)O 5652AL [0,2,0,0,0,0|0,0,1]=3 112 B8R0.9 C[C@@H](CO)CC[N+](=O)[O-] X6531 [0,2,0,0,0,0|2,0,0]=4 113 B8R0.11 CCCCC(CC)CI 7977AF [0,2,0,0,0,0|2,0,0]=4 114 B8R0.19 CCC(C)CC(C)CC 5938AL [0,2,0,0,0,0|2,0,0]=4 115 B8R0.25 C=CCCC(C)(C)CO 8193AB [0,2,0,0,0,0|1,0,1]=4 116 B8R0.21 CC(F)(F)CNCCO 5535AB [0,2,0,0,0,0|2,0,0]=4 117 B8R0.28 C=C(C)CCCC(C)C 5416AL [0,2,0,0,0,0|2,0,0]=4 118 B8R0.22 CCCC(CBr)CCC Y6801 [0,2,0,0,0,0|2,0,0]=4 119 B8R0.30 CC(C)(CCO)CCO 7531AB [0,2,0,0,0,0|2,0,0]=4 120 B6R1.1 C1CSCCS1 U566 [1,0,0,1,0,0|1,0,0]=3 121 B6R1.2 BrC1CCNC1 Z2707 [1,0,0,1,0,0|2,0,0]=4 122 B6R1.2 CC1=CCCO1 0728AQ [1,0,0,1,0,0|0,0,2]=4 123 B6R1.2 ClC1CCOC1 X2032 [1,0,0,1,0,0|1,1,0]=4 124 B6R1.2 OC1CCSC1 Y1949 [1,0,0,1,0,0|0,0,0]=2 125 B6R1.2 OC1CNOC1 0177AF [1,0,0,1,0,0|1,1,0]=4 126 B6R1.3 C#CCC1CC1 Y1476 [1,0,0,1,0,0|1,0,1]=4 127 B6R1.6 ClCC1COC1 2027AJ [1,0,0,1,0,0|1,1,0]=4 128 B6R1.8 CCC1CC1N 1705AJ [1,0,0,1,0,0|1,0,0]=3 129 B8R1.2 BrCC1=CCCCC1 1457AL [0,1,0,1,0,0|2,0,0]=4 130 B8R1.2 BrCC1CCCCO1 Z3437 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.2 BrCC1CCCNC1 5702AJ [0,1,0,1,0,0|2,0,0]=4 132 B8R1.2 BrCC1CCCNC1 7322AC [0,1,0,1,0,0|2,0,0]=4 133 B8R1.2 CC[C@@H]1CNCCN1 W6295 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.2 CC[C@@H]1CNCCO1 5802AA [0,1,0,1,0,0|1,0,0]=3 135 B8R1.2 CC[C@H]1CNCCO1 1583AC [0,1,0,1,0,0|1,0,0]=3 136 B8R1.2 CNC1CCSCC1 7537AD [0,1,0,1,0,0|2,0,0]=4 137 B8R1.2 COC1C=CCCC1 6080AL [0,1,0,1,0,0|1,0,1]=4 138 B8R1.2 ClCC1CCCCO1 9636AA [0,1,0,1,0,0|1,0,0]=3 139 B8R1.2 ClCC1CCNCC1 6001AJ [0,1,0,1,0,0|2,0,0]=4 140 B8R1.2 FCC1CCCNC1 2978AD [0,1,0,1,0,0|2,0,0]=4 141 B8R1.2 N#CC1CNCCO1 6389AA [0,1,0,1,0,0|2,0,0]=4 142 B8R1.2 N#CC1COCCO1 7312AA [0,1,0,1,0,0|2,0,0]=4 143 B8R1.2 NCC1COCCN1 5822AC [0,1,0,1,0,0|1,1,0]=4 144 B8R1.5 CC1CCNCC1O 2894AJ [0,1,0,1,0,0|1,0,0]=3 145 B8R1.5 C[C@@H]1CCCC[C@@H]1N 8411AH [0,1,0,1,0,0|2,0,0]=4 146 B8R1.5 C[C@@H]1CCNC[C@H]1O 4685AJ [0,1,0,1,0,0|1,0,0]=3 147 B8R1.5 C[C@H]1CCCC[C@@H]1O 9211AL [0,1,0,1,0,0|1,0,0]=3 148 B8R1.5 C[C@H]1CCCC[C@H]1N 8370AH [0,1,0,1,0,0|2,0,0]=4 149 B8R1.5 C[C@H]1CCCC[C@H]1N 8371AH [0,1,0,1,0,0|2,0,0]=4 150 B8R1.5 C[C@H]1COCC[C@H]1N 8239AE [0,1,0,1,0,0|1,1,0]=4 151 B8R1.5 N[C@@H]1CCCC[C@@H]1O 1658AA [0,1,0,1,0,0|1,0,0]=3 152 B8R1.5 N[C@H]1CCCC[C@H]1O 2200AB [0,1,0,1,0,0|1,0,0]=3 153 B8R1.5 O=C1NCCC[C@H]1O 1192AB [0,1,0,1,0,0|1,0,1]=4 154 B8R1.5 O=C1OCCCC1O Y3190 [0,1,0,1,0,0|0,1,1]=4 155 B8R1.5 O[C@H]1CNCC[C@H]1O 5209AB [0,1,0,1,0,0|1,0,0]=3 156 B8R1.8 BrCCC1CCCC1 9860AA [0,1,0,1,0,0|2,0,0]=4 157 B8R1.8 CCNC1CCNC1 5822AL [0,1,0,1,0,0|2,0,0]=4 158 B8R1.8 CCN[C@@H]1CCNC1 4068AL [0,1,0,1,0,0|2,0,0]=4 159 B8R1.8 CCOC1CCNC1 0346AD [0,1,0,1,0,0|2,0,0]=4 160 B8R1.8 COCC1CCNC1 Z2650 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.8 ClCCC1OCCO1 6026AB [0,1,0,1,0,0|2,0,0]=4 162 B8R1.8 NCCC1CCOC1 0563AC [0,1,0,1,0,0|1,1,0]=4 163 B8R1.8 O=CCC1OCCO1 5104AC [0,1,0,1,0,0|2,0,0]=4 164 B8R1.8 OCCC1CCCN1 1282AJ [0,1,0,1,0,0|1,0,0]=3 165 B8R1.8 OCCC1CCCN1 1283AJ [0,1,0,1,0,0|1,0,0]=3 166 B8R1.10 OCCCC1COC1 1984AB [0,1,0,1,0,0|0,1,0]=3 167 B8R1.11 NCC1CCCC1O 3854AC [0,1,0,1,0,0|1,0,0]=3 168 B8R1.11 N[C@@H]1CCC[C@H]1CO 5456AB [0,1,0,1,0,0|1,0,0]=3 169 B8R1.12 NC[C@@H]1CC[C@H]1CN 5574AD [0,1,0,1,0,0|2,0,0]=4 170 B8R1.22 CC1CCCNCC1 2641AE [0,1,0,1,0,0|2,0,0]=4 171 B8R1.22 O=C1COCCCN1 1535AL [0,1,0,1,0,0|2,0,0]=4 172 B8R1.36 CCCCCC1CO1 4463AL [0,1,0,1,0,0|1,0,0]=3 173 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 V0972 [0,1,0,1,0,0|1,0,1]=4 174 B8R1.1 O=C1CC[C@H](CO)O1 B249 [0,1,0,1,0,0|2,0,0]=4 175 B8R1.3 C[C@@H]1CO[C@H](C)CN1 2239AA [0,1,0,1,0,0|2,0,0]=4 176 B8R1.3 C[C@H]1CO[C@@H](C)CN1 4899AA [0,1,0,1,0,0|2,0,0]=4 177 B8R1.3 C[C@H]1CO[C@H](C)CN1 2238AA [0,1,0,1,0,0|2,0,0]=4 178 B8R1.3 NC1CCC(F)CC1 X3853 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.50 CC1CCC(C)C1N 1407AJ [0,1,0,1,0,0|2,0,0]=4 180 B8R1.50 CC1CCC(C)C1N 1408AJ [0,1,0,1,0,0|2,0,0]=4 181 B8R1.52 CC1(CN)CCNC1 3678AD [0,1,0,1,0,0|2,0,0]=4 182 B8R1.52 CC1(CO)CCNC1 7405AJ [0,1,0,1,0,0|1,0,0]=3 183 B8R1.4 CC1CCNC(C)C1 W9513 [0,1,0,1,0,0|2,0,0]=4 184 B8R1.4 CN1CCCC(Br)C1 Z2702 [0,1,0,1,0,0|2,0,0]=4 185 B8R1.4 C[C@H]1C[C@@H](O)CCO1 2705AC [0,1,0,1,0,0|1,0,0]=3 186 B8R1.4 C[C@H]1C[C@H](O)CCO1 8425AA [0,1,0,1,0,0|1,0,0]=3 187 B8R1.4 NC1CCCC(F)C1 5333AA [0,1,0,1,0,0|2,0,0]=4 188 B8R1.4 N[C@@H]1CCC[C@H](O)C1 8414AH [0,1,0,1,0,0|1,0,0]=3 189 B8R1.4 N[C@H]1CCC[C@@H](O)C1 8379AH [0,1,0,1,0,0|1,0,0]=3 190 B8R1.4 N[C@H]1CCC[C@H](O)C1 8418AH [0,1,0,1,0,0|1,0,0]=3 191 B8R1.6 CN1CC(CCO)C1 5810AA [0,1,0,1,0,0|1,0,0]=3 192 B8R1.7 CC(=O)[C@@H]1CCCO1 5805AA [0,1,0,1,0,0|1,0,0]=3 193 B8R1.7 CC(=O)[C@H]1CCCO1 0229AC [0,1,0,1,0,0|1,0,0]=3 194 B8R1.7 CC(C)C1CCCC1 8114AL [0,1,0,1,0,0|2,0,0]=4 195 B8R1.7 C[C@H](N)C1CCCC1 8399AH [0,1,0,1,0,0|2,0,0]=4 196 B8R1.7 OB(O)C1CCOC1 2213AB [0,1,0,1,0,0|1,1,0]=4 197 B8R1.31 CC1CCC1C(=O)O 5817AB [0,1,0,1,0,0|1,0,1]=4 198 B8R1.66 CC1(CCO)COC1 1553AF [0,1,0,1,0,0|0,1,0]=3 199 B8R2.34 C1OC2CNC1C2 2689AB [0,0,0,2,0,0|2,0,0]=4 200 B8R2.23 C1NCC2CC1C2 2816AB [0,0,0,2,0,0|2,0,0]=4 201 B8R2.23 C1NCC2CC1O2 Y7074 [0,0,0,2,0,0|1,0,0]=3 202 B8R2.23 C1OCC2CC1N2 Y8562 [0,0,0,2,0,0|1,1,0]=4 203 B8R2.25 C1=CCC2OC2C1 0117AP [0,0,0,2,0,0|1,0,1]=4 204 B8R2.25 C1CC2CC2CN1 2159AJ [0,0,0,2,0,0|2,0,0]=4 205 B8R2.25 C1CNC2CC2C1 1556AJ [0,0,0,2,0,0|2,0,0]=4 206 B8R2.42 C1CC2(CNC2)O1 5926AC [0,0,0,2,0,0|1,0,0]=3 207 B8R2.42 C1CC2(COC2)N1 1030AA [0,0,0,2,0,0|1,1,0]=4