0 B6R0.1 C(=O)CC(C)SC 002806 [0,0,0,0,0,0|0,0,0]=0 1 B6R0.1 C=CCC(=O)OC 513980 [0,0,0,0,0,0|2,1,1]=4 2 B6R0.1 CCC(C)N=C=O 365573 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCC(C)N=C=S 008753 [0,0,0,0,0,0|2,1,1]=4 4 B6R0.1 CCC(C)SC#N 024156 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CCC(N)CCN 479098 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CCC(N)COC 046850 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.1 CCC(O)COC 375173 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.1 CCCC(C)C=O 520881 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 CC[C@@H](N)CC#N 012701 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 CC[C@H](N)CC#N 012702 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 C[C@@H](CO)CCN 103282 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 C#CCC(C)C 104535 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.1 C#CCC(C)O 532537 [1,0,0,0,0,0|1,1,1]=4 14 B5R0.1 C=CCC(C)C 106337 [1,0,0,0,0,0|1,0,0]=2 15 B5R0.1 CC(Br)CCBr BR1240 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CC(C)=CC=O 386384 [1,0,0,0,0,0|0,0,2]=3 17 B5R0.1 CC(C)CC#N 386919 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 CC(C)CC=O 094970 [1,0,0,0,0,0|0,0,0]=1 19 B5R0.1 CC(C)CCBr BR1353 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 CC(C)CCI 046949 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CC(C)CCN 097749 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.1 CC(C)CCO 097704 [1,0,0,0,0,0|0,0,2]=3 23 B5R0.1 CC(C)CCO 103352 [1,0,0,0,0,0|0,0,2]=3 24 B5R0.1 CC(C)CCS 358459 [1,0,0,0,0,0|0,1,1]=3 25 B5R0.1 CC(C)CNN 023508 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 CC(C)N=C=S 008986 [1,0,0,0,0,0|1,1,1]=4 27 B5R0.1 CC(C)NC=O 103706 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.1 CC(C)SC#N 005915 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 CC(O)CCO 099380 [1,0,0,0,0,0|0,1,2]=4 30 B5R0.1 CCCC(C)Br 024476 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CCCC(C)Br BR1101 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CCCC(C)C 098758 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.1 CCCC(C)N 097754 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 CCCC(C)O 099024 [1,0,0,0,0,0|1,1,1]=4 35 B5R0.1 CCCC(C)S 070734 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.1 CCC[C@H](C)O 036089 [1,0,0,0,0,0|1,1,1]=4 37 B5R0.1 CCNC(C)C 057128 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CN(C)CCBr 077959 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 CN(C)CCCl 077638 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 CN(C)CCN 043851 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 CN(C)CCO 044665 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.1 CN(C)CCS 450419 [1,0,0,0,0,0|1,1,1]=4 43 B5R0.1 CNCC(C)C 047078 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 COCC(C)N 402335 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 COCC(C)O 093985 [1,0,0,0,0,0|2,1,0]=4 46 B5R0.1 COC[C@@H](C)N 079780 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 COC[C@@H](C)O 036090 [1,0,0,0,0,0|2,1,0]=4 48 B5R0.1 C[C@@H](N)CCO 092790 [1,0,0,0,0,0|1,0,2]=4 49 B5R0.1 C[C@@H](O)CCO 041923 [1,0,0,0,0,0|0,1,2]=4 50 B5R0.1 C[C@H](N)CCO 092789 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.1 C[C@H](O)CCO 041922 [1,0,0,0,0,0|0,1,2]=4 52 B5R0.2 C#CCCCC 098932 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.2 C=CCCC#N 013686 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.2 C=CCCC=C 106336 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.2 C=CCCCBr 013455 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.2 C=CCCCC 098845 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.2 C=CCCCI 103315 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.2 C=CCCCO 164000 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.2 C=CCCNC 104185 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.2 C=CCNC=O 065354 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.2 CCCCC#N 386692 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.2 CCCCC=O 094967 [1,0,0,0,0,0|1,0,0]=2 63 B5R0.2 CCCCC=O 106333 [1,0,0,0,0,0|1,0,0]=2 64 B5R0.2 CCCCCBr 098930 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.2 CCCCCC 094916 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.2 CCCCCC 099897 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.2 CCCCCC 102229 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.2 CCCCCC 102412 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.2 CCCCCI 349297 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.2 CCCCCN 099587 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.2 CCCCCO 101568 [1,0,0,0,0,0|1,0,2]=4 72 B5R0.2 CCCCNC 098817 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.2 CCCCNN 324841 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.2 CCCC[Zn]Br 213843 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.2 CC\C=C\C=O 466581 [1,0,0,0,0,0|1,0,2]=4 76 B5R0.2 CNCCC#N 242856 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.2 CNCCCN 300980 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.2 CNCCCO 239815 [1,0,0,0,0,0|1,0,2]=4 79 B5R0.2 CNCCNC 043850 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.2 CNCCOC 011340 [1,0,0,0,0,0|2,1,0]=4 81 B5R0.2 COCCC#N 154600 [1,0,0,0,0,0|1,1,1]=4 82 B5R0.2 COCCCBr 043598 [1,0,0,0,0,0|1,1,1]=4 83 B5R0.2 COCCCN 242837 [1,0,0,0,0,0|1,1,1]=4 84 B5R0.2 COCCCO 078666 [1,0,0,0,0,0|0,1,2]=4 85 B5R0.2 COCCOC 098861 [1,0,0,0,0,0|2,1,0]=4 86 B5R0.2 COCCOC 106693 [1,0,0,0,0,0|2,1,0]=4 87 B5R0.2 CSCCC=O 103329 [1,0,0,0,0,0|0,0,0]=1 88 B5R0.2 CSCCCN 103438 [1,0,0,0,0,0|1,0,1]=3 89 B5R0.2 CSCCCO 069294 [1,0,0,0,0,0|0,0,2]=3 90 B5R0.2 [C-]#[N+]CCCC 021027 [1,0,0,0,0,0|3,0,0]=4 91 B5R0.3 C=CC(C)C#N 106335 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.3 C=CC(O)CC 464567 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.3 CC(CBr)CBr 229847 [1,0,0,0,0,0|3,0,0]=4 94 B5R0.3 CC(CCl)CBr 239837 [1,0,0,0,0,0|3,0,0]=4 95 B5R0.3 CC(CO)CO 242900 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.3 CCC(Br)CC 358240 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.3 CCC(C)C=O 103622 [1,0,0,0,0,0|1,0,0]=2 98 B5R0.3 CCC(C)CC 098988 [1,0,0,0,0,0|1,0,1]=3 99 B5R0.3 CCC(C)CN 013636 [1,0,0,0,0,0|2,0,0]=3 100 B5R0.3 CCC(C)CO 358145 [1,0,0,0,0,0|1,0,1]=3 101 B5R0.3 CCC(C)NN 046283 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.3 CCC(N)CC 094499 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.3 CCC(N)CO 091481 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.3 CCC(O)CC 358049 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.3 CCC(O)CN 002496 [1,0,0,0,0,0|3,0,0]=4 106 B5R0.3 CCN(C)CC 493739 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.3 CC[C@@H](N)CO 012703 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.3 CC[C@H](C)CO 473128 [1,0,0,0,0,0|1,0,1]=3 109 B5R0.3 CC[C@H](N)CO 012704 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.3 COC(C)OC 104486 [1,0,0,0,0,0|1,1,1]=4 111 B5R0.3 C\C=C(/C)C=O 245796 [1,0,0,0,0,0|1,0,1]=3 112 B5R0.3 O=CC(Br)C=O 078260 [1,0,0,0,0,0|3,0,0]=4 113 B7R0.2 CCC(C)CC(=O)O 002768 [0,1,0,0,0,0|1,0,0]=2 114 B7R0.2 CCC(C)NC(C)=O 103813 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.2 CNC(=O)CC(C)=O 240984 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.2 COC(=O)CC(=O)Cl 013167 [0,1,0,0,0,0|1,1,1]=4 117 B7R0.2 COC(=O)CC(=O)O 227679 [0,1,0,0,0,0|1,1,1]=4 118 B7R0.2 COC(=O)CC(=O)[O-] 092550 [0,1,0,0,0,0|1,1,1]=4 119 B7R0.2 COC(=O)CC(C)=O 094497 [0,1,0,0,0,0|1,1,1]=4 120 B7R0.2 COC(=O)CC(N)=O 323080 [0,1,0,0,0,0|1,1,1]=4 121 B7R0.2 NCC(O)CC(=O)O 093269 [0,1,0,0,0,0|3,0,0]=4 122 B7R0.3 COC(=O)CNC=O 238980 [0,1,0,0,0,0|1,1,1]=4 123 B7R0.5 C=CCC(C)C(=O)O 239804 [0,1,0,0,0,0|3,0,0]=4 124 B7R0.5 CC(NC=O)C(=O)O 329655 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.7 CCCC(C)SC#N 024162 [0,1,0,0,0,0|1,0,2]=4 126 B7R0.11 COC(C)(C)CCO 242746 [0,1,0,0,0,0|0,1,2]=4 127 B7R0.12 C=CCN(CC)CC 098907 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.12 CNCC(OC)OC 240321 [0,1,0,0,0,0|2,1,0]=4 129 B7R0.12 COC(CC#N)OC 099516 [0,1,0,0,0,0|1,1,1]=4 130 B7R0.12 COC(CCBr)OC 046744 [0,1,0,0,0,0|1,1,1]=4 131 B7R0.12 COCC(OC)OC 152900 [0,1,0,0,0,0|2,1,0]=4 132 B7R1.1 CNC1CCCC1 024973 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.1 COC1CCCC1 094844 [0,0,0,1,0,0|1,1,1]=4 134 B7R1.1 COC1CCCC1 106161 [0,0,0,1,0,0|1,1,1]=4 135 B7R1.2 CC1=CC(=O)CC1 078668 [0,0,0,1,0,0|1,0,2]=4 136 B7R1.2 CC1=CCC(=O)O1 098871 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.2 CC1=CCC(=O)O1 107050 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.2 CC1=NNC(=O)C1 077205 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.2 CC1CCC(=O)N1 232918 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.2 CC1CCC(=O)O1 243089 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.2 CC1CCC(O)C1 013642 [0,0,0,1,0,0|1,0,2]=4 142 B7R1.2 CC1COC(=O)O1 044922 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.2 C[C@@H]1COC(=O)O1 237778 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.2 N=C1NC(=O)CS1 013701 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.2 O=C1CCC(=O)C1 024257 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.2 O=C1CSC(=O)N1 045213 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.2 O=C1CSC(=S)N1 068610 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.2 O=C1C[C@@H](O)CN1 047704 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.2 O=C1C[C@H](O)CN1 093766 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.3 CC1CCCCC1 013924 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.3 CC1CCCCN1 098820 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.3 CC1CCCNC1 095841 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.3 CC1CCNCC1 005025 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.3 CC1CCNCC1 106043 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.3 CC1CNCCN1 023229 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.3 CC1CNCCO1 075555 [0,0,0,1,0,0|2,1,0]=4 157 B7R1.3 CC1COCCN1 093767 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.3 CC1SCCCS1 069036 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.3 C[C@@H]1CNCCN1 011823 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.3 C[C@H]1CNCCN1 011818 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.3 C[C@H]1CNCCO1 076728 [0,0,0,1,0,0|2,1,0]=4 162 B7R1.6 CNCC1CCC1 104292 [0,0,0,1,0,0|3,0,0]=4 163 B7R1.10 C=C1CC(C#N)C1 068993 [0,0,0,1,0,0|3,0,0]=4 164 B4R0.1 C#CC(C)C 155700 [2,0,0,0,0,0|0,0,2]=4 165 B4R0.1 C=C(C)C=O 533380 [2,0,0,0,0,0|0,0,2]=4 166 B4R0.1 C=C(C)OC 032479 [2,0,0,0,0,0|0,1,1]=4 167 B4R0.1 C=CC(C)Cl 099655 [2,0,0,0,0,0|1,0,1]=4 168 B4R0.1 C=CC(C)O 099331 [2,0,0,0,0,0|0,1,1]=4 169 B4R0.1 CC(=O)C=O 069255 [2,0,0,0,0,0|0,1,1]=4 170 B4R0.1 CC(C)C#N 095064 [2,0,0,0,0,0|1,0,1]=4 171 B4R0.1 CC(C)C=O 094969 [2,0,0,0,0,0|0,0,0]=2 172 B4R0.1 CC(C)C=O 102748 [2,0,0,0,0,0|0,0,0]=2 173 B4R0.1 CC(C)CBr 097876 [2,0,0,0,0,0|1,0,0]=3 174 B4R0.1 CC(C)CI 005441 [2,0,0,0,0,0|1,0,0]=3 175 B4R0.1 CC(C)CN 094648 [2,0,0,0,0,0|1,0,0]=3 176 B4R0.1 CC(C)CO 098794 [2,0,0,0,0,0|0,0,1]=3 177 B4R0.1 CC(C)CS 097785 [2,0,0,0,0,0|0,1,0]=3 178 B4R0.1 CC(C)NN 023478 [2,0,0,0,0,0|2,0,0]=4 179 B4R0.1 CC(C)NO 049798 [2,0,0,0,0,0|1,0,1]=4 180 B4R0.1 CC(C)ON 049806 [2,0,0,0,0,0|1,1,0]=4 181 B4R0.1 CC(C)[Mg]Br 102695 [2,0,0,0,0,0|2,0,0]=4 182 B4R0.1 CC(C)[Mg]Cl 044829 [2,0,0,0,0,0|2,0,0]=4 183 B4R0.1 CC(C)[Mg]Cl 044854 [2,0,0,0,0,0|2,0,0]=4 184 B4R0.1 CC(Cl)CCl 094620 [2,0,0,0,0,0|2,0,0]=4 185 B4R0.1 CC(N)CN 094789 [2,0,0,0,0,0|2,0,0]=4 186 B4R0.1 CC(N)CO 092185 [2,0,0,0,0,0|1,0,1]=4 187 B4R0.1 CC(O)CBr 001137 [2,0,0,0,0,0|1,1,0]=4 188 B4R0.1 CC(O)CN 099022 [2,0,0,0,0,0|1,1,0]=4 189 B4R0.1 CC(O)CO 492646 [2,0,0,0,0,0|0,1,1]=4 190 B4R0.1 CC=C(C)C 102641 [2,0,0,0,0,0|1,0,1]=4 191 B4R0.1 CCC(C)=O 046806 [2,0,0,0,0,0|1,0,1]=4 192 B4R0.1 CCC(C)=O 075238 [2,0,0,0,0,0|1,0,1]=4 193 B4R0.1 CCC(C)=O 101973 [2,0,0,0,0,0|1,0,1]=4 194 B4R0.1 CCC(C)=O 102570 [2,0,0,0,0,0|1,0,1]=4 195 B4R0.1 CCC(C)Br 110100 [2,0,0,0,0,0|1,0,1]=4 196 B4R0.1 CCC(C)C 105976 [2,0,0,0,0,0|0,0,1]=3 197 B4R0.1 CCC(C)I 099306 [2,0,0,0,0,0|1,0,1]=4 198 B4R0.1 CCC(C)N 094534 [2,0,0,0,0,0|1,0,1]=4 199 B4R0.1 CCC(C)O 080268 [2,0,0,0,0,0|0,1,1]=4 200 B4R0.1 CCC(C)S 098013 [2,0,0,0,0,0|0,0,1]=3 201 B4R0.1 CCN(C)C 099918 [2,0,0,0,0,0|1,0,1]=4 202 B4R0.1 CC[C@H](C)O 036066 [2,0,0,0,0,0|0,1,1]=4 203 B4R0.1 CN(C)C=O 035911 [2,0,0,0,0,0|1,0,0]=3 204 B4R0.1 CN(C)C=O 046776 [2,0,0,0,0,0|1,0,0]=3 205 B4R0.1 CN(C)C=O 094267 [2,0,0,0,0,0|1,0,0]=3 206 B4R0.1 CN(C)C=O 099894 [2,0,0,0,0,0|1,0,0]=3 207 B4R0.1 CN(C)C=O 106424 [2,0,0,0,0,0|1,0,0]=3 208 B4R0.1 CN(C)C=S 078450 [2,0,0,0,0,0|1,1,0]=4 209 B4R0.1 CNC(C)=O 154700 [2,0,0,0,0,0|1,0,1]=4 210 B4R0.1 CNC(C)C 094496 [2,0,0,0,0,0|1,0,0]=3 211 B4R0.1 CNN(C)C 040144 [2,0,0,0,0,0|2,0,0]=4 212 B4R0.1 COC(C)=O 098761 [2,0,0,0,0,0|0,1,1]=4 213 B4R0.1 CO[SiH](C)C S07285 [2,0,0,0,0,0|0,2,0]=4 214 B4R0.1 C[C@@H](N)CO M03439 [2,0,0,0,0,0|1,0,1]=4 215 B4R0.1 C[C@@H](O)CN 234011 [2,0,0,0,0,0|1,1,0]=4 216 B4R0.1 C[C@@H](O)CO 166900 [2,0,0,0,0,0|0,1,1]=4 217 B4R0.1 C[C@H](N)CO M03438 [2,0,0,0,0,0|1,0,1]=4 218 B4R0.1 C[C@H](O)CN 079460 [2,0,0,0,0,0|1,1,0]=4 219 B4R0.1 C[C@H](O)CO 049743 [2,0,0,0,0,0|0,1,1]=4 220 B4R0.1 C[N+](C)=CBr 099927 [2,0,0,0,0,0|2,0,0]=4 221 B4R0.1 C[N+](C)=CCl 046921 [2,0,0,0,0,0|2,0,0]=4 222 B4R0.2 C#CCCC 164100 [2,0,0,0,0,0|1,0,1]=4 223 B4R0.2 C=CCCBr 010654 [2,0,0,0,0,0|2,0,0]=4 224 B4R0.2 C=CCCCl 106339 [2,0,0,0,0,0|2,0,0]=4 225 B4R0.2 C=CCCI 103032 [2,0,0,0,0,0|2,0,0]=4 226 B4R0.2 C=CCCO 114900 [2,0,0,0,0,0|1,1,0]=4 227 B4R0.2 C=CCNC 069326 [2,0,0,0,0,0|1,0,1]=4 228 B4R0.2 C=CCSC 106338 [2,0,0,0,0,0|0,0,1]=3 229 B4R0.2 CCCC#N 046731 [2,0,0,0,0,0|1,0,1]=4 230 B4R0.2 CCCC=O 094987 [2,0,0,0,0,0|0,0,0]=2 231 B4R0.2 CCCCBr 098944 [2,0,0,0,0,0|1,0,1]=4 232 B4R0.2 CCCCC 995196 [2,0,0,0,0,0|1,0,1]=4 233 B4R0.2 CCCCI 094442 [2,0,0,0,0,0|1,0,1]=4 234 B4R0.2 CCCCN 094792 [2,0,0,0,0,0|1,0,1]=4 235 B4R0.2 CCCCO 035921 [2,0,0,0,0,0|0,0,2]=4 236 B4R0.2 CCCCO 075156 [2,0,0,0,0,0|0,0,2]=4 237 B4R0.2 CCCCO 101601 [2,0,0,0,0,0|0,0,2]=4 238 B4R0.2 CCCCS 046727 [2,0,0,0,0,0|0,1,1]=4 239 B4R0.2 CCCC[Mg+] 102041 [2,0,0,0,0,0|1,0,1]=4 240 B4R0.2 CCCC[S-] 104802 [2,0,0,0,0,0|0,1,1]=4 241 B4R0.2 CCCNC 056258 [2,0,0,0,0,0|1,0,1]=4 242 B4R0.2 CCNC=O 099258 [2,0,0,0,0,0|1,0,0]=3 243 B4R0.2 CCOC=N 099169 [2,0,0,0,0,0|2,0,0]=4 244 B4R0.2 CCOC=O 044728 [2,0,0,0,0,0|1,0,0]=3 245 B4R0.2 CNCCN 094592 [2,0,0,0,0,0|2,0,0]=4 246 B4R0.2 CNCCO 095022 [2,0,0,0,0,0|1,0,1]=4 247 B4R0.2 COCCBr 005433 [2,0,0,0,0,0|1,1,0]=4 248 B4R0.2 COCCN 046846 [2,0,0,0,0,0|1,1,0]=4 249 B4R0.2 COCCO 043320 [2,0,0,0,0,0|0,1,1]=4 250 B4R0.2 COCCO 102150 [2,0,0,0,0,0|0,1,1]=4 251 B4R0.2 CSCCCl 044921 [2,0,0,0,0,0|1,0,0]=3 252 B4R0.2 CSCCO 003087 [2,0,0,0,0,0|0,0,1]=3 253 B4R0.2 C\C=C\C=O 245633 [2,0,0,0,0,0|0,0,2]=4 254 B4R0.2 SCCCCl 099136 [2,0,0,0,0,0|1,0,1]=4 255 B4R0.2 SCCCS 101936 [2,0,0,0,0,0|0,1,1]=4 256 B4R0.2 [Li]CCCC 044819 [2,0,0,0,0,0|1,0,1]=4 257 B6R0.2 CC(=O)C=C(C)C 098815 [1,1,0,0,0,0|0,0,2]=4 258 B6R0.2 CC(=O)CC(C)=O 100600 [1,1,0,0,0,0|0,1,1]=4 259 B6R0.2 CC(=O)CC(C)C 044985 [1,1,0,0,0,0|0,0,0]=2 260 B6R0.2 CC(=O)CC(C)C 102383 [1,1,0,0,0,0|0,0,0]=2 261 B6R0.2 CC(=O)CC(N)=O 444419 [1,1,0,0,0,0|0,1,1]=4 262 B6R0.2 CC(=O)NC(C)C 208609 [1,1,0,0,0,0|1,0,0]=3 263 B6R0.2 CC(=O)OC(C)C 099370 [1,1,0,0,0,0|1,0,0]=3 264 B6R0.2 CC(C)=CC(=O)Cl 438394 [1,1,0,0,0,0|0,0,2]=4 265 B6R0.2 CC(C)=CC(=O)O 208603 [1,1,0,0,0,0|0,0,2]=4 266 B6R0.2 CC(C)=NC(C)C 022053 [1,1,0,0,0,0|2,0,0]=4 267 B6R0.2 CC(C)CB(O)O 045297 [1,1,0,0,0,0|1,0,1]=4 268 B6R0.2 CC(C)CC(=O)Cl 520885 [1,1,0,0,0,0|0,0,0]=2 269 B6R0.2 CC(C)CC(=O)O 242835 [1,1,0,0,0,0|0,0,0]=2 270 B6R0.2 CC(C)CC(C)N 214337 [1,1,0,0,0,0|1,0,1]=4 271 B6R0.2 CC(C)CC(C)O 242810 [1,1,0,0,0,0|0,0,2]=4 272 B6R0.2 CC(C)CC(N)=O 342138 [1,1,0,0,0,0|0,0,0]=2 273 B6R0.2 CC(C)CS(=O)[O-] 070723 [1,1,0,0,0,0|1,0,0]=3 274 B6R0.2 CC(C)NC(N)=O 101565 [1,1,0,0,0,0|1,0,0]=3 275 B6R0.2 CC(C)NC(N)=S 018760 [1,1,0,0,0,0|1,1,0]=4 276 B6R0.2 CC(Cl)OC(=O)Cl 019459 [1,1,0,0,0,0|2,0,0]=4 277 B6R0.2 CC(N)CC(=O)O 208617 [1,1,0,0,0,0|1,0,0]=3 278 B6R0.2 CN(C)CC(=O)O 044353 [1,1,0,0,0,0|1,0,0]=3 279 B6R0.2 CN(C)CC(=O)O 216339 [1,1,0,0,0,0|1,0,0]=3 280 B6R0.2 C[C@@H](N)CC(=O)O 034436 [1,1,0,0,0,0|1,0,0]=3 281 B6R0.2 C[C@@H](N)CC(=O)O 078594 [1,1,0,0,0,0|1,0,0]=3 282 B6R0.3 C#CC(O)C(C)C 104538 [1,1,0,0,0,0|1,0,1]=4 283 B6R0.3 CC(C)C(N)CO 323960 [1,1,0,0,0,0|0,0,2]=4 284 B6R0.3 CC(C)[C@@H](N)CO 045548 [1,1,0,0,0,0|0,0,2]=4 285 B6R0.3 CC(C)[C@H](N)CO M03447 [1,1,0,0,0,0|0,0,2]=4 286 B6R0.3 CCC(O)C(C)C 240664 [1,1,0,0,0,0|1,0,1]=4 287 B6R0.4 C=COCC(C)C 103137 [1,1,0,0,0,0|1,0,0]=3 288 B6R0.4 CC(C)CN=C=O 044447 [1,1,0,0,0,0|0,0,1]=3 289 B6R0.4 CC(C)CN=C=S 008985 [1,1,0,0,0,0|0,1,1]=4 290 B6R0.4 CC(C)CON=O 099090 [1,1,0,0,0,0|1,0,0]=3 291 B6R0.4 CC(C)NCCO 069257 [1,1,0,0,0,0|0,0,2]=4 292 B6R0.4 CC(C)OCCO 150900 [1,1,0,0,0,0|0,0,2]=4 293 B6R0.4 CN(C)\C=C\C=O 044782 [1,1,0,0,0,0|1,0,1]=4 294 B6R0.4 CNCCC(C)C 321590 [1,1,0,0,0,0|1,0,1]=4 295 B6R0.5 C(=O)CC(F)(F)F 008676 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.5 C=CC[Si](C)(C)C 005255 [1,1,0,0,0,0|1,1,0]=4 297 B6R0.5 C=CC[Si](C)(C)Cl S00225 [1,1,0,0,0,0|1,1,0]=4 298 B6R0.5 CC(C)(Br)CCBr 105278 [1,1,0,0,0,0|1,0,1]=4 299 B6R0.5 CC(C)(C)CC=O 049850 [1,1,0,0,0,0|0,0,0]=2 300 B6R0.5 CC(C)(C)CCBr 240396 [1,1,0,0,0,0|1,0,1]=4 301 B6R0.5 CC(C)(C)CCI 104243 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.5 CC(C)(C)CCO 092664 [1,1,0,0,0,0|0,0,2]=4 303 B6R0.5 CC(C)(C)N=C=O 541836 [1,1,0,0,0,0|1,0,1]=4 304 B6R0.5 CC(C)(C)NC=O 103226 [1,1,0,0,0,0|1,0,0]=3 305 B6R0.5 CC(C)(C)OC=O 094630 [1,1,0,0,0,0|1,0,0]=3 306 B6R0.5 CC(C)(C)ON=O 050767 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.5 CC(C)(Cl)CCCl 106056 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.5 CC(C)(O)CC#N 372096 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.5 CC(C)(O)CCO 099109 [1,1,0,0,0,0|0,0,2]=4 310 B6R0.5 CCCC(C)(C)O 356177 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.5 CNCC(C)(C)O 323417 [1,1,0,0,0,0|2,0,0]=4 312 B6R0.5 COCC(C)(C)N 044656 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.5 COCC(C)(C)O 304271 [1,1,0,0,0,0|2,0,0]=4 314 B6R0.5 C\C=N\C(C)(C)C 241850 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.6 C=CCCCCBr 002415 [1,1,0,0,0,0|2,0,0]=4 316 B6R0.6 C=CCCCCBr 013446 [1,1,0,0,0,0|2,0,0]=4 317 B6R0.6 C=CCCCCCl 024635 [1,1,0,0,0,0|2,0,0]=4 318 B6R0.6 C=CCCCCI 103321 [1,1,0,0,0,0|2,0,0]=4 319 B6R0.6 C=CCCCCO 078461 [1,1,0,0,0,0|2,0,0]=4 320 B6R0.6 C=COCCCC 106580 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.6 CCCCCC=O 094968 [1,1,0,0,0,0|1,0,0]=3 322 B6R0.6 CCCCN=C=O 102722 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.6 CCCCNC=O 103559 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.6 CCC\C=C\C=O 098868 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.6 COCCN=C=O 044433 [1,1,0,0,0,0|0,1,1]=4 326 B6R0.6 CSCCCCO 035889 [1,1,0,0,0,0|0,0,2]=4 327 B6R0.6 O=CCCCCCl 238851 [1,1,0,0,0,0|1,0,0]=3 328 B6R0.8 CNC(C)(C)CO 340517 [1,1,0,0,0,0|1,0,1]=4 329 B6R0.8 COC(C)(C)CN 043506 [1,1,0,0,0,0|1,1,0]=4 330 B6R0.9 CCC(C=O)CC 245909 [1,1,0,0,0,0|1,0,0]=3 331 B6R0.9 CCC(CC)CO 093975 [1,1,0,0,0,0|1,0,1]=4 332 B6R0.9 CCC(CN)OC 041816 [1,1,0,0,0,0|0,1,1]=4 333 B6R0.9 CCN(C=O)CC 049814 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.9 COC(C=O)OC 105790 [1,1,0,0,0,0|0,1,0]=3 335 B6R0.9 COC(CBr)OC 003454 [1,1,0,0,0,0|1,1,0]=4 336 B6R0.9 COC(CCl)OC 099309 [1,1,0,0,0,0|1,1,0]=4 337 B6R0.9 COC(CN)OC 094452 [1,1,0,0,0,0|1,1,0]=4 338 B8R0.2 CCC(C)C(N)C(=O)O 390253 [0,2,0,0,0,0|1,0,0]=3 339 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O M03002 [0,2,0,0,0,0|1,0,0]=3 340 B8R0.16 COC(CC(C)=O)OC 079369 [0,2,0,0,0,0|0,1,0]=3 341 B8R0.19 CCC(C)CC(=O)OC 097640 [0,2,0,0,0,0|1,0,0]=3 342 B8R0.23 CC(=O)CC(C)C(=O)O 066644 [0,2,0,0,0,0|2,0,0]=4 343 B8R0.34 CCC(C)(O)CC(=O)O 103052 [0,2,0,0,0,0|1,0,0]=3 344 B8R0.1 C(=O)OCC(C)OC=O 341846 [0,2,0,0,0,0|0,1,1]=4 345 B8R0.3 O=CC[C@H](O)[C@H](O)CO 076452 [0,2,0,0,0,0|2,0,0]=4 346 B6R1.2 CC1CCCC1 101560 [1,0,0,1,0,0|1,0,1]=4 347 B6R1.2 NC1CC=CC1 011352 [1,0,0,1,0,0|2,0,0]=4 348 B6R1.2 OC1CC=CC1 011661 [1,0,0,1,0,0|1,1,0]=4 349 B6R1.2 SC1CCCC1 075248 [1,0,0,1,0,0|1,0,1]=4 350 B6R1.3 CNCC1CC1 065548 [1,0,0,1,0,0|2,0,0]=4 351 B6R1.3 N#CCC1CC1 003711 [1,0,0,1,0,0|1,0,1]=4 352 B6R1.3 O=C=NC1CC1 075691 [1,0,0,1,0,0|1,0,1]=4 353 B6R1.3 O=CNC1CC1 237812 [1,0,0,1,0,0|1,0,0]=3 354 B6R1.1 C1=CCCCC1 094563 [1,0,0,1,0,0|2,0,0]=4 355 B6R1.1 C1CSCCN1 019453 [1,0,0,1,0,0|2,0,0]=4 356 B6R1.1 C1CSCCO1 001450 [1,0,0,1,0,0|2,0,0]=4 357 B6R1.1 C1CSCSC1 214605 [1,0,0,1,0,0|0,1,1]=4 358 B6R1.7 CC1(CCl)CO1 067862 [1,0,0,1,0,0|1,1,0]=4 359 B8R1.1 NCC1CCC(=O)N1 318323 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.1 O=C1CC(CO)CN1 038551 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.1 O=C1CC[C@@H](CO)N1 093783 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.1 O=C1CC[C@@H](CO)O1 040029 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.1 O=C1CC[C@H](CO)N1 040026 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.51 CC1(C)CNC(=O)C1 043825 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.51 CC1(C)OCC(=O)O1 233926 [0,1,0,1,0,0|1,1,0]=4 366 B8R1.2 OCC1CC=CCC1 067775 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.3 CC1CCC(=O)CC1 241022 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.3 CN1CCC(=O)CC1 078184 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.3 CN1CCC(=O)CC1 105797 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.3 O=C1CCC(O)CC1 069093 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.50 CC1CCC(=O)C1=O 319433 [0,1,0,1,0,0|1,0,1]=4 372 B8R1.23 O=C1CC(C(=O)O)C1 066492 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.8 O=CNC1CCCC1 103565 [0,1,0,1,0,0|2,0,0]=4