0 B6R0.9 CCC(C=O)CC 245909 [0,0,0,0,0,0|0,0,0]=0 1 B6R0.9 CCC(CC)CO 093975 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.9 CCC(CC)NN 047022 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.9 CCC(CN)OC 041816 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.9 CCN(C#N)CC 375201 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.9 CCN(C=O)CC 049814 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.9 CCN(CC)CC 003029 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.9 CCN(CC)CC 005055 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.9 CCN(CC)CC 005055 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.9 CCN(CC)CC 005055 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.9 CCN(CC)CC 102572 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.9 CCN(CC)CC 104858 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.9 CCN(CC)CC 105729 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.9 CCN(CC)CC 173850 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.9 CCP(CC)CC 101862 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.9 CC[SiH](CC)CC 005243 [0,0,0,0,0,0|1,1,1]=3 16 B6R0.9 COC(C=O)OC 105790 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.9 COC(CBr)OC 003454 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.9 COC(CCl)OC 099309 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.9 COC(CN)OC 094452 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.9 COC(OC)OC 095019 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.9 OCC(CO)CO 222829 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.3 BrCC(Br)CBr 001242 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.3 C#CC(O)CC 164300 [1,0,0,0,0,0|0,0,3]=4 24 B5R0.3 C=C(CCl)CCl 386371 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.3 C=C(CO)CO 079496 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.3 C=CC(C)C#N 106335 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.3 C=CC(O)CC 464567 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.3 C=CC(O)CO 099464 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.3 CC(CBr)CBr 229847 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.3 CC(CCl)CBr 239837 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 CC(CO)CO 242900 [1,0,0,0,0,0|1,0,2]=4 32 B5R0.3 CCC(=O)CBr 002514 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.3 CCC(=O)CC 094591 [1,0,0,0,0,0|0,0,1]=2 34 B5R0.3 CCC(=O)NC 103047 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.3 CCC(=O)NN 026652 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.3 CCC(Br)CC 358240 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.3 CCC(C)C=O 103622 [1,0,0,0,0,0|0,0,0]=1 38 B5R0.3 CCC(C)CC 098988 [1,0,0,0,0,0|0,0,1]=2 39 B5R0.3 CCC(C)CN 013636 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.3 CCC(C)CO 358145 [1,0,0,0,0,0|0,0,2]=3 41 B5R0.3 CCC(C)NN 046283 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.3 CCC(N)CC 094499 [1,0,0,0,0,0|1,0,0]=2 43 B5R0.3 CCC(N)CO 091481 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.3 CCC(O)C#N 103338 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.3 CCC(O)CC 358049 [1,0,0,0,0,0|0,0,1]=2 46 B5R0.3 CCC(O)CN 002496 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.3 CCN(C)CC 493739 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.3 CCN(O)CC 105777 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.3 CCN(O)CC 129600 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.3 CCS(=O)CC 094782 [1,0,0,0,0,0|1,0,0]=2 51 B5R0.3 CC[C@@H](N)CO 012703 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.3 CC[C@H](C)CO 473128 [1,0,0,0,0,0|0,0,2]=3 53 B5R0.3 CC[C@H](N)CO 012704 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.3 CC\C(C)=N\O 099127 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.3 CNC(=O)CBr 043828 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.3 CNC(=O)CCl 094091 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.3 CNC(=O)CN 075035 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.3 CNC(=O)NC 358273 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.3 COC(=O)CBr 006774 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.3 COC(=O)CCl 095344 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.3 COC(=O)CI 103193 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.3 COC(=O)CN M03021 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.3 COC(=O)CO 227696 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.3 COC(=O)CS 011917 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.3 COC(=O)OC 094559 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.3 COC(C)OC 104486 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.3 COS(=O)OC 094292 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.3 CO[PH](=O)OC 098972 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.3 C\C=C(/C)C=O 245796 [1,0,0,0,0,0|0,0,2]=3 70 B5R0.3 ClCC(Cl)CCl 099132 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.3 NC(CO)CO 043594 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.3 NCC(=O)CN 245676 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.3 NCC(O)CN 013503 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.3 NCC(O)CO 093744 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.3 NC[C@@H](O)CO 036807 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.3 NC[C@H](O)CCl 320853 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.3 O=C(CCl)CCl 469912 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.3 O=C(CO)CO 093516 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.3 O=CC(Br)C=O 078260 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.3 OC(CBr)CBr 242654 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.3 OC(CCl)CCl 214775 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.3 OCC(O)CCl 242924 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.3 OCC(O)CO 094580 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.3 OCC(O)CO 102072 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.3 OCC(O)CO 104202 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.3 OCC(O)CS 104512 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.3 OC[C@@H](O)CCl 079187 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.12 C#CCN(CC)CC 129200 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.12 C=CCN(CC)CC 098907 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.12 CCC(CC)N=C=S 009559 [0,1,0,0,0,0|0,1,1]=3 91 B7R0.12 CCN(CC)CCBr 386920 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.12 CCN(CC)CCCl 094441 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.12 CCN(CC)CCN 236769 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.12 CCN(CC)CCO 098859 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.12 CCN(CC)CCO 099634 [0,1,0,0,0,0|1,0,2]=4 96 B7R0.12 CCN(CC)CCS 099179 [0,1,0,0,0,0|1,1,1]=4 97 B7R0.12 CNCC(OC)OC 240321 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.12 COC(CCBr)OC 046744 [0,1,0,0,0,0|3,0,0]=4 99 B7R0.12 COCC(OC)OC 152900 [0,1,0,0,0,0|3,0,0]=4 100 B7R0.15 CCC(CC)C(=O)Cl 099324 [0,1,0,0,0,0|0,0,0]=1 101 B7R0.15 CCC(CC)C(=O)O 237870 [0,1,0,0,0,0|0,0,0]=1 102 B7R0.15 CCC(CC)C(C)=O 046100 [0,1,0,0,0,0|0,0,0]=1 103 B7R0.15 CCC(CC)C(N)=O 103936 [0,1,0,0,0,0|0,0,0]=1 104 B7R0.15 CCN(CC)C(=O)Cl 050653 [0,1,0,0,0,0|1,0,0]=2 105 B7R0.15 CCN(CC)C(=S)Cl 046935 [0,1,0,0,0,0|1,1,0]=3 106 B7R0.15 CCN(CC)C(=S)[S-] 103658 [0,1,0,0,0,0|1,1,0]=3 107 B7R0.15 CCN(CC)C(=S)[S-] 493838 [0,1,0,0,0,0|1,1,0]=3 108 B7R0.15 CCN(CC)C(N)=O 337183 [0,1,0,0,0,0|1,0,0]=2 109 B7R0.15 CCN(CC)P(Cl)Cl 101970 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.15 CCN(CC)[SiH](C)C S07500 [0,1,0,0,0,0|2,1,0]=4 111 B7R0.15 CC[N+](CC)=S(F)F 533389 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.15 COC(OC)C(C)=O 095023 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.15 O=C(O)C(CBr)CBr 094009 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.18 C#CC(O)(CC)CC 103397 [0,1,0,0,0,0|1,0,1]=3 115 B7R0.18 CCC(N)(CO)CO 243032 [0,1,0,0,0,0|1,0,2]=4 116 B7R0.18 CC[N+]([O-])(CC)CC 100946 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.18 CC[Si](Cl)(CC)CC 005288 [0,1,0,0,0,0|1,1,1]=4 118 B7R1.1 BrCC1CCCC1 036984 [0,0,0,1,0,0|1,0,1]=3 119 B7R1.1 BrCC1CCCO1 067835 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.1 C#CC1CCCC1 099433 [0,0,0,1,0,0|1,0,1]=3 121 B7R1.1 C(=O)N1CCCC1 341911 [0,0,0,1,0,0|1,0,0]=2 122 B7R1.1 CNC1CCCC1 024973 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.1 COC1CCCC1 094844 [0,0,0,1,0,0|2,0,0]=3 124 B7R1.1 COC1CCCC1 106161 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.1 ClCC1CCCO1 171500 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.1 N#CC1CCCC1 467169 [0,0,0,1,0,0|1,0,1]=3 127 B7R1.1 N#C[C@@H]1CCCN1 011884 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.1 NCC1CCCO1 094973 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.1 NC[C@@H]1CCCO1 228127 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.1 NC[C@H]1CCCO1 216897 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.1 NNC1CCCC1 069074 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.1 OCC1CCCC1 067781 [0,0,0,1,0,0|0,0,2]=3 133 B7R1.1 OCC1CCCN1 093752 [0,0,0,1,0,0|1,0,2]=4 134 B7R1.1 OCC1CCCO1 235709 [0,0,0,1,0,0|1,0,2]=4 135 B7R1.1 OCC1CCOC1 208614 [0,0,0,1,0,0|1,0,2]=4 136 B7R1.1 OC[C@@H]1CCCN1 M03445 [0,0,0,1,0,0|1,0,2]=4 137 B7R1.1 OC[C@H]1CCCN1 045535 [0,0,0,1,0,0|1,0,2]=4 138 B7R1.1 OC[C@H]1CCCO1 304017 [0,0,0,1,0,0|1,0,2]=4 139 B7R1.1 ON=C1CCCC1 227999 [0,0,0,1,0,0|1,0,2]=4 140 B7R1.1 [C-]#[N+]C1CCCC1 021030 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.29 OCC1(CO)CC1 067771 [0,0,0,1,0,0|1,0,2]=4 142 B4R0.1 C#CC(C)C 155700 [2,0,0,0,0,0|1,0,1]=4 143 B4R0.1 C=C(C)C=O 533380 [2,0,0,0,0,0|0,0,2]=4 144 B4R0.1 C=C(C)CBr 067665 [2,0,0,0,0,0|1,0,1]=4 145 B4R0.1 C=C(C)CCl 094695 [2,0,0,0,0,0|1,0,1]=4 146 B4R0.1 C=C(C)CO 358232 [2,0,0,0,0,0|1,0,1]=4 147 B4R0.1 C=C(C)CS 038481 [2,0,0,0,0,0|1,0,1]=4 148 B4R0.1 C=C(C)OC 032479 [2,0,0,0,0,0|1,0,1]=4 149 B4R0.1 C=CC(C)Cl 099655 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.1 C=CC(C)O 099331 [2,0,0,0,0,0|2,0,0]=4 151 B4R0.1 CC(=O)C=O 069255 [2,0,0,0,0,0|1,0,1]=4 152 B4R0.1 CC(=O)CCl 099980 [2,0,0,0,0,0|1,0,1]=4 153 B4R0.1 CC(=O)CN 078537 [2,0,0,0,0,0|1,0,1]=4 154 B4R0.1 CC(=O)CO 097598 [2,0,0,0,0,0|1,0,1]=4 155 B4R0.1 CC(C)C#N 095064 [2,0,0,0,0,0|1,0,1]=4 156 B4R0.1 CC(C)C=O 094969 [2,0,0,0,0,0|0,0,0]=2 157 B4R0.1 CC(C)C=O 102748 [2,0,0,0,0,0|0,0,0]=2 158 B4R0.1 CC(C)CBr 097876 [2,0,0,0,0,0|1,0,1]=4 159 B4R0.1 CC(C)CI 005441 [2,0,0,0,0,0|1,0,1]=4 160 B4R0.1 CC(C)CN 094648 [2,0,0,0,0,0|1,0,1]=4 161 B4R0.1 CC(C)CO 098794 [2,0,0,0,0,0|0,0,2]=4 162 B4R0.1 CC(C)CS 097785 [2,0,0,0,0,0|0,1,1]=4 163 B4R0.1 CC(C)NN 023478 [2,0,0,0,0,0|2,0,0]=4 164 B4R0.1 CC(C)NO 049798 [2,0,0,0,0,0|1,0,1]=4 165 B4R0.1 CC(C)ON 049806 [2,0,0,0,0,0|2,0,0]=4 166 B4R0.1 CC(C)[Mg]Br 102695 [2,0,0,0,0,0|2,0,0]=4 167 B4R0.1 CC(C)[Mg]Cl 044829 [2,0,0,0,0,0|2,0,0]=4 168 B4R0.1 CC(C)[Mg]Cl 044854 [2,0,0,0,0,0|2,0,0]=4 169 B4R0.1 CC(Cl)CCl 094620 [2,0,0,0,0,0|2,0,0]=4 170 B4R0.1 CC(N)CN 094789 [2,0,0,0,0,0|2,0,0]=4 171 B4R0.1 CC(N)CO 092185 [2,0,0,0,0,0|2,0,0]=4 172 B4R0.1 CC(O)CBr 001137 [2,0,0,0,0,0|1,0,1]=4 173 B4R0.1 CC(O)CN 099022 [2,0,0,0,0,0|1,0,1]=4 174 B4R0.1 CC(O)CO 492646 [2,0,0,0,0,0|1,0,1]=4 175 B4R0.1 CC=C(C)C 102641 [2,0,0,0,0,0|1,0,1]=4 176 B4R0.1 CCC(=O)Br BR1194 [2,0,0,0,0,0|1,0,1]=4 177 B4R0.1 CCC(=O)Cl 098881 [2,0,0,0,0,0|1,0,1]=4 178 B4R0.1 CCC(=O)O 098214 [2,0,0,0,0,0|1,0,1]=4 179 B4R0.1 CCC(=O)O 104856 [2,0,0,0,0,0|1,0,1]=4 180 B4R0.1 CCC(=O)[O-] 105990 [2,0,0,0,0,0|1,0,1]=4 181 B4R0.1 CCC(=O)[O-] 106505 [2,0,0,0,0,0|1,0,1]=4 182 B4R0.1 CCC(C)=O 046806 [2,0,0,0,0,0|0,0,1]=3 183 B4R0.1 CCC(C)=O 075238 [2,0,0,0,0,0|0,0,1]=3 184 B4R0.1 CCC(C)=O 101973 [2,0,0,0,0,0|0,0,1]=3 185 B4R0.1 CCC(C)=O 102570 [2,0,0,0,0,0|0,0,1]=3 186 B4R0.1 CCC(C)Br 110100 [2,0,0,0,0,0|1,0,0]=3 187 B4R0.1 CCC(C)C 105976 [2,0,0,0,0,0|0,0,1]=3 188 B4R0.1 CCC(C)I 099306 [2,0,0,0,0,0|1,0,0]=3 189 B4R0.1 CCC(C)N 094534 [2,0,0,0,0,0|1,0,0]=3 190 B4R0.1 CCC(C)O 080268 [2,0,0,0,0,0|0,0,1]=3 191 B4R0.1 CCC(C)S 098013 [2,0,0,0,0,0|0,1,0]=3 192 B4R0.1 CCC(N)=O 069325 [2,0,0,0,0,0|1,0,1]=4 193 B4R0.1 CCN(C)C 099918 [2,0,0,0,0,0|1,0,1]=4 194 B4R0.1 CCS(=O)[O-] 035597 [2,0,0,0,0,0|2,0,0]=4 195 B4R0.1 CC[C@H](C)O 036066 [2,0,0,0,0,0|0,0,1]=3 196 B4R0.1 CN(C)C=O 035911 [2,0,0,0,0,0|1,0,0]=3 197 B4R0.1 CN(C)C=O 046776 [2,0,0,0,0,0|1,0,0]=3 198 B4R0.1 CN(C)C=O 094267 [2,0,0,0,0,0|1,0,0]=3 199 B4R0.1 CN(C)C=O 099894 [2,0,0,0,0,0|1,0,0]=3 200 B4R0.1 CN(C)C=O 106424 [2,0,0,0,0,0|1,0,0]=3 201 B4R0.1 CN(C)C=S 078450 [2,0,0,0,0,0|1,1,0]=4 202 B4R0.1 CNC(C)=O 154700 [2,0,0,0,0,0|1,0,1]=4 203 B4R0.1 CNC(C)C 094496 [2,0,0,0,0,0|1,0,1]=4 204 B4R0.1 COC(C)=O 098761 [2,0,0,0,0,0|1,0,1]=4 205 B4R0.1 C[C@@H](N)CO M03439 [2,0,0,0,0,0|2,0,0]=4 206 B4R0.1 C[C@@H](O)CN 234011 [2,0,0,0,0,0|1,0,1]=4 207 B4R0.1 C[C@@H](O)CO 166900 [2,0,0,0,0,0|1,0,1]=4 208 B4R0.1 C[C@H](N)CO M03438 [2,0,0,0,0,0|2,0,0]=4 209 B4R0.1 C[C@H](O)CN 079460 [2,0,0,0,0,0|1,0,1]=4 210 B4R0.1 C[C@H](O)CO 049743 [2,0,0,0,0,0|1,0,1]=4 211 B4R0.1 C[N+](C)=CBr 099927 [2,0,0,0,0,0|2,0,0]=4 212 B4R0.1 C[N+](C)=CCl 046921 [2,0,0,0,0,0|2,0,0]=4 213 B4R0.2 BrCCCBr 003830 [2,0,0,0,0,0|2,0,0]=4 214 B4R0.2 C#CCCC 164100 [2,0,0,0,0,0|0,0,2]=4 215 B4R0.2 C=CCCBr 010654 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.2 C=CCCCl 106339 [2,0,0,0,0,0|2,0,0]=4 217 B4R0.2 C=CCCI 103032 [2,0,0,0,0,0|2,0,0]=4 218 B4R0.2 C=CCCO 114900 [2,0,0,0,0,0|2,0,0]=4 219 B4R0.2 C=CCNC 069326 [2,0,0,0,0,0|2,0,0]=4 220 B4R0.2 C=CCSC 106338 [2,0,0,0,0,0|2,0,0]=4 221 B4R0.2 CCCC#N 046731 [2,0,0,0,0,0|1,0,1]=4 222 B4R0.2 CCCC=O 094987 [2,0,0,0,0,0|0,0,0]=2 223 B4R0.2 CCCCBr 098944 [2,0,0,0,0,0|1,0,0]=3 224 B4R0.2 CCCCC 995196 [2,0,0,0,0,0|0,0,0]=2 225 B4R0.2 CCCCI 094442 [2,0,0,0,0,0|1,0,0]=3 226 B4R0.2 CCCCN 094792 [2,0,0,0,0,0|1,0,0]=3 227 B4R0.2 CCCCO 035921 [2,0,0,0,0,0|1,0,0]=3 228 B4R0.2 CCCCO 075156 [2,0,0,0,0,0|1,0,0]=3 229 B4R0.2 CCCCO 101601 [2,0,0,0,0,0|1,0,0]=3 230 B4R0.2 CCCCS 046727 [2,0,0,0,0,0|1,0,0]=3 231 B4R0.2 CCCC[Mg+] 102041 [2,0,0,0,0,0|1,0,0]=3 232 B4R0.2 CCCC[S-] 104802 [2,0,0,0,0,0|1,0,0]=3 233 B4R0.2 CCCNC 056258 [2,0,0,0,0,0|1,0,0]=3 234 B4R0.2 CCNC=O 099258 [2,0,0,0,0,0|1,0,0]=3 235 B4R0.2 CCNCC 043314 [2,0,0,0,0,0|1,0,0]=3 236 B4R0.2 CCNCC 129100 [2,0,0,0,0,0|1,0,0]=3 237 B4R0.2 CCOC=N 099169 [2,0,0,0,0,0|2,0,0]=4 238 B4R0.2 CCOC=O 044728 [2,0,0,0,0,0|1,0,0]=3 239 B4R0.2 CCOCC 075236 [2,0,0,0,0,0|1,0,0]=3 240 B4R0.2 CCOCC 099494 [2,0,0,0,0,0|1,0,0]=3 241 B4R0.2 CCOCC 101608 [2,0,0,0,0,0|1,0,0]=3 242 B4R0.2 CCOCC 105564 [2,0,0,0,0,0|1,0,0]=3 243 B4R0.2 CCOCCl 005431 [2,0,0,0,0,0|2,0,0]=4 244 B4R0.2 CC[SiH2]CC S06500 [2,0,0,0,0,0|0,1,0]=3 245 B4R0.2 CC[Zn]CC 098867 [2,0,0,0,0,0|1,0,0]=3 246 B4R0.2 CC[Zn]CC 098978 [2,0,0,0,0,0|1,0,0]=3 247 B4R0.2 CNCCN 094592 [2,0,0,0,0,0|2,0,0]=4 248 B4R0.2 CNCCO 095022 [2,0,0,0,0,0|2,0,0]=4 249 B4R0.2 COCCBr 005433 [2,0,0,0,0,0|2,0,0]=4 250 B4R0.2 COCCN 046846 [2,0,0,0,0,0|2,0,0]=4 251 B4R0.2 COCCO 043320 [2,0,0,0,0,0|2,0,0]=4 252 B4R0.2 COCCO 102150 [2,0,0,0,0,0|2,0,0]=4 253 B4R0.2 COCOC 094560 [2,0,0,0,0,0|2,0,0]=4 254 B4R0.2 CSCCCl 044921 [2,0,0,0,0,0|2,0,0]=4 255 B4R0.2 CSCCO 003087 [2,0,0,0,0,0|2,0,0]=4 256 B4R0.2 C\C=C\C=O 245633 [2,0,0,0,0,0|0,0,2]=4 257 B4R0.2 ClCCCBr 094507 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.2 ClCCCCl 101461 [2,0,0,0,0,0|2,0,0]=4 259 B4R0.2 ClCCCI 001486 [2,0,0,0,0,0|2,0,0]=4 260 B4R0.2 FCCCI 095368 [2,0,0,0,0,0|2,0,0]=4 261 B4R0.2 ICCCI 003098 [2,0,0,0,0,0|2,0,0]=4 262 B4R0.2 NCCCBr 079493 [2,0,0,0,0,0|2,0,0]=4 263 B4R0.2 NCCCCl 095817 [2,0,0,0,0,0|2,0,0]=4 264 B4R0.2 NCCCN 094590 [2,0,0,0,0,0|2,0,0]=4 265 B4R0.2 NCCCO 099680 [2,0,0,0,0,0|2,0,0]=4 266 B4R0.2 OCCCBr 047460 [2,0,0,0,0,0|2,0,0]=4 267 B4R0.2 OCCCCl 024840 [2,0,0,0,0,0|2,0,0]=4 268 B4R0.2 OCCCF 010306 [2,0,0,0,0,0|2,0,0]=4 269 B4R0.2 OCCCI 002583 [2,0,0,0,0,0|2,0,0]=4 270 B4R0.2 OCCCO 095066 [2,0,0,0,0,0|2,0,0]=4 271 B4R0.2 SCCCCl 099136 [2,0,0,0,0,0|2,0,0]=4 272 B4R0.2 SCCCS 101936 [2,0,0,0,0,0|2,0,0]=4 273 B4R0.2 [Li]CCCC 044819 [2,0,0,0,0,0|1,0,0]=3 274 B6R0.1 C(=O)CC(C)SC 002806 [1,1,0,0,0,0|1,0,0]=3 275 B6R0.1 C=CC(O)CCC 241561 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.1 CCC(C)N=C=O 365573 [1,1,0,0,0,0|0,0,1]=3 277 B6R0.1 CCC(C)N=C=S 008753 [1,1,0,0,0,0|0,1,1]=4 278 B6R0.1 CCC(C)SC#N 024156 [1,1,0,0,0,0|1,0,1]=4 279 B6R0.1 CCC(N)CCN 479098 [1,1,0,0,0,0|1,0,0]=3 280 B6R0.1 CCC(N)COC 046850 [1,1,0,0,0,0|1,0,0]=3 281 B6R0.1 CCC(O)COC 375173 [1,1,0,0,0,0|0,0,1]=3 282 B6R0.1 CCCC(=O)OC 358407 [1,1,0,0,0,0|1,0,1]=4 283 B6R0.1 CCCC(C)C=O 520881 [1,1,0,0,0,0|0,0,0]=2 284 B6R0.1 CCCC(O)CO 242929 [1,1,0,0,0,0|1,0,1]=4 285 B6R0.1 CCNC(=O)CCl 069838 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.1 CCNC(=O)CN 075036 [1,1,0,0,0,0|1,0,1]=4 287 B6R0.1 CCNC(=O)OC 104168 [1,1,0,0,0,0|1,0,1]=4 288 B6R0.1 CCOC(=O)C=O 079534 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.1 CCOC(=O)CBr 006091 [1,1,0,0,0,0|1,0,1]=4 290 B6R0.1 CCOC(=O)CC 094652 [1,1,0,0,0,0|0,0,1]=3 291 B6R0.1 CCOC(=O)CCl 097784 [1,1,0,0,0,0|1,0,1]=4 292 B6R0.1 CCOC(=O)CF 019465 [1,1,0,0,0,0|1,0,1]=4 293 B6R0.1 CCOC(=O)CI 324768 [1,1,0,0,0,0|1,0,1]=4 294 B6R0.1 CCOC(=O)CN 094472 [1,1,0,0,0,0|1,0,1]=4 295 B6R0.1 CCOC(=O)CO 227697 [1,1,0,0,0,0|1,0,1]=4 296 B6R0.1 CCOC(=O)CS 099611 [1,1,0,0,0,0|1,0,1]=4 297 B6R0.1 CC[C@@H](N)CC#N 012701 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.1 CC[C@H](N)CC#N 012702 [1,1,0,0,0,0|1,0,1]=4 299 B6R0.1 CC\C=C(/C)C=O 103302 [1,1,0,0,0,0|0,0,1]=3 300 B6R0.1 CNC(=O)CCBr 104783 [1,1,0,0,0,0|1,0,1]=4 301 B6R0.1 CNCC(=O)OC M03234 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.1 CNCC(O)CO 208621 [1,1,0,0,0,0|1,0,1]=4 303 B6R0.1 COC(=O)CCBr 216315 [1,1,0,0,0,0|1,0,1]=4 304 B6R0.1 COC(=O)CCI 103108 [1,1,0,0,0,0|1,0,1]=4 305 B6R0.1 COC(=O)CCN 032703 [1,1,0,0,0,0|1,0,1]=4 306 B6R0.1 COC(=O)CCO 223297 [1,1,0,0,0,0|1,0,1]=4 307 B6R0.1 COC(=O)CCS 053164 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.1 COC(=O)CSC 002978 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.1 COCC(=O)OC 358440 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.1 C[C@@H](CO)CCN 103282 [1,1,0,0,0,0|0,0,2]=4 311 B6R0.1 OC(CBr)CCBr BR1637 [1,1,0,0,0,0|1,0,1]=4 312 B6R0.3 CC(C)C(=O)CBr 079016 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.3 CC(C)C(N)CO 323960 [1,1,0,0,0,0|2,0,0]=4 314 B6R0.3 CC(C)[C@@H](N)CO 045548 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.3 CC(C)[C@H](N)CO M03447 [1,1,0,0,0,0|2,0,0]=4 316 B6R0.3 CC(CN)C(=O)O 226386 [1,1,0,0,0,0|1,0,0]=3 317 B6R0.3 CCC(=O)C(C)=O 464570 [1,1,0,0,0,0|0,0,2]=4 318 B6R0.3 CCC(=O)C(C)C 386812 [1,1,0,0,0,0|0,0,1]=3 319 B6R0.3 CCC(=O)N(C)C 235586 [1,1,0,0,0,0|1,0,1]=4 320 B6R0.3 CCC(Br)C(=O)Br 241269 [1,1,0,0,0,0|1,0,0]=3 321 B6R0.3 CCC(Br)C(=O)O 242857 [1,1,0,0,0,0|1,0,0]=3 322 B6R0.3 CCC(C)B(O)O 208610 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.3 CCC(C)C(=O)Cl 102938 [1,1,0,0,0,0|0,0,0]=2 324 B6R0.3 CCC(C)C(=O)O 155900 [1,1,0,0,0,0|0,0,0]=2 325 B6R0.3 CCC(C)C(C)O 103328 [1,1,0,0,0,0|0,0,1]=3 326 B6R0.3 CCC(C)C(N)=O 102996 [1,1,0,0,0,0|0,0,0]=2 327 B6R0.3 CCC(N)C(=O)O M01290 [1,1,0,0,0,0|1,0,0]=3 328 B6R0.3 CCC(O)C(C)C 240664 [1,1,0,0,0,0|0,0,1]=3 329 B6R0.3 CC[C@@H](N)C(=O)O 044880 [1,1,0,0,0,0|1,0,0]=3 330 B6R0.3 CC[C@H](N)C(=O)O 024718 [1,1,0,0,0,0|1,0,0]=3 331 B6R0.3 CNC(=O)C(C)Br 369255 [1,1,0,0,0,0|1,0,1]=4 332 B6R0.3 CNC(=O)C(C)C 541993 [1,1,0,0,0,0|1,0,1]=4 333 B6R0.3 CNC(=O)C(C)Cl 310451 [1,1,0,0,0,0|1,0,1]=4 334 B6R0.3 CNC(C)C(=O)O 075290 [1,1,0,0,0,0|1,0,0]=3 335 B6R0.3 CN[C@@H](C)C(=O)O 075289 [1,1,0,0,0,0|1,0,0]=3 336 B6R0.3 CN[C@H](C)C(=O)O 075291 [1,1,0,0,0,0|1,0,0]=3 337 B6R0.3 COC(=O)C(C)Br 006778 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.3 COC(=O)C(C)C 097703 [1,1,0,0,0,0|1,0,1]=4 339 B6R0.3 COC(=O)C(C)Cl 239017 [1,1,0,0,0,0|1,0,1]=4 340 B6R0.3 COC(=O)C(C)N 003683 [1,1,0,0,0,0|1,0,1]=4 341 B6R0.3 COC(=O)C(C)N 003684 [1,1,0,0,0,0|1,0,1]=4 342 B6R0.3 COC(=O)C(C)O 103470 [1,1,0,0,0,0|1,0,1]=4 343 B6R0.3 COC(=O)[C@@H](C)Cl 046767 [1,1,0,0,0,0|1,0,1]=4 344 B6R0.3 COC(=O)[C@@H](C)N 005452 [1,1,0,0,0,0|1,0,1]=4 345 B6R0.3 COC(=O)[C@@H](C)O 219745 [1,1,0,0,0,0|1,0,1]=4 346 B6R0.3 COC(=O)[C@H](C)Cl 328935 [1,1,0,0,0,0|1,0,1]=4 347 B6R0.3 COC(=O)[C@H](C)O 099823 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.3 CON(C)C(C)=O 153700 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.3 C[C@@H](CN)C(=O)O 215235 [1,1,0,0,0,0|1,0,0]=3 350 B6R0.3 C\C=C(/C)C(=O)O 099810 [1,1,0,0,0,0|0,0,2]=4 351 B6R0.3 NC(=O)[C@@H](N)CO 217138 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.3 NC(CO)C(=O)O 093750 [1,1,0,0,0,0|2,0,0]=4 353 B6R0.3 NC(CS)C(=O)O 241173 [1,1,0,0,0,0|2,0,0]=4 354 B6R0.3 NC[C@H](O)C(=O)O 222535 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.3 N[C@@H](CO)C(=O)O 043859 [1,1,0,0,0,0|2,0,0]=4 356 B6R0.3 N[C@@H](CS)C(=O)O 093727 [1,1,0,0,0,0|2,0,0]=4 357 B6R0.3 N[C@@H](CS)C(=O)O 102087 [1,1,0,0,0,0|2,0,0]=4 358 B6R0.3 N[C@@H](CS)C(=O)O 318726 [1,1,0,0,0,0|2,0,0]=4 359 B6R0.3 N[C@@H](CS)C(=O)O M03086 [1,1,0,0,0,0|2,0,0]=4 360 B6R0.3 N[C@H](CO)C(=O)O 011887 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.3 N[C@H](CS)C(=O)O 036386 [1,1,0,0,0,0|2,0,0]=4 362 B6R0.3 N[C@H](CS)C(=O)O 049424 [1,1,0,0,0,0|2,0,0]=4 363 B6R0.3 O=C(O)C(Br)CBr 077984 [1,1,0,0,0,0|2,0,0]=4 364 B6R0.3 O=C(O)C(O)CO 143500 [1,1,0,0,0,0|2,0,0]=4 365 B6R0.8 C#CC(C)(O)CC 506763 [1,1,0,0,0,0|1,0,1]=4 366 B6R0.8 O=CC(Br)(Br)CBr 239010 [1,1,0,0,0,0|2,0,0]=4 367 B8R0.11 CCCCC(C=O)CC 106312 [0,2,0,0,0,0|0,0,0]=2 368 B8R0.11 CCCCC(CC)CBr 023235 [0,2,0,0,0,0|1,0,1]=4 369 B8R0.11 CCCCC(CC)CN 099016 [0,2,0,0,0,0|1,0,1]=4 370 B8R0.11 CCCCC(CC)CO 240935 [0,2,0,0,0,0|0,0,2]=4 371 B8R0.11 CCC\C=C(\C=O)CC 069958 [0,2,0,0,0,0|0,0,1]=3 372 B8R0.16 COC(CC(C)=O)OC 079369 [0,2,0,0,0,0|2,0,0]=4 373 B8R0.20 C=CC(=O)N(CC)CC 342263 [0,2,0,0,0,0|1,0,0]=3 374 B8R0.20 CCC(=O)N(CC)CC 238969 [0,2,0,0,0,0|1,0,0]=3 375 B8R0.20 CCN(CC)C(=O)CBr 044522 [0,2,0,0,0,0|1,0,0]=3 376 B8R0.20 CCN(CC)C(=O)CCl 003413 [0,2,0,0,0,0|1,0,0]=3 377 B8R0.20 CCN(CC)C(=O)CO 454352 [0,2,0,0,0,0|1,0,0]=3 378 B8R0.20 COC(=O)C(OC)OC 001312 [0,2,0,0,0,0|2,0,0]=4 379 B8R0.22 C#CC(OCC)OCC 358415 [0,2,0,0,0,0|1,0,1]=4 380 B8R0.22 C=CC(OCC)OCC 094518 [0,2,0,0,0,0|1,0,0]=3 381 B8R0.22 CCOC(C#N)OCC 069256 [0,2,0,0,0,0|1,0,1]=4 382 B8R0.22 CCOC(CBr)OCC 003024 [0,2,0,0,0,0|1,0,1]=4 383 B8R0.22 CCOC(CCl)OCC 444399 [0,2,0,0,0,0|1,0,1]=4 384 B8R0.22 CCOC(CN)OCC 094735 [0,2,0,0,0,0|1,0,1]=4 385 B8R0.22 CCOC(CO)OCC 069312 [0,2,0,0,0,0|0,0,2]=4 386 B8R0.26 CCN(CC)S(=O)(=O)Cl 037819 [0,2,0,0,0,0|2,0,0]=4 387 B8R0.26 CCN(CC)S(C)(=O)=O 094829 [0,2,0,0,0,0|2,0,0]=4 388 B8R0.26 CCN(CC)S(N)(=O)=O 069357 [0,2,0,0,0,0|2,0,0]=4 389 B8R0.36 CC(CO)(CO)C(=O)O 241292 [0,2,0,0,0,0|2,0,0]=4 390 B8R0.36 COC(C)(OC)C(C)=O 069302 [0,2,0,0,0,0|2,0,0]=4 391 B6R1.2 BrC1CCCC1 021866 [1,0,0,1,0,0|1,0,0]=3 392 B6R1.2 BrC1CCNC1 211447 [1,0,0,1,0,0|2,0,0]=4 393 B6R1.2 CC1=CCCC1 103763 [1,0,0,1,0,0|1,0,1]=4 394 B6R1.2 CC1CCCC1 101560 [1,0,0,1,0,0|0,0,1]=3 395 B6R1.2 CC1CCCO1 094054 [1,0,0,1,0,0|1,0,1]=4 396 B6R1.2 CN1CCCC1 046845 [1,0,0,1,0,0|1,0,1]=4 397 B6R1.2 ClC1CCCC1 098808 [1,0,0,1,0,0|1,0,0]=3 398 B6R1.2 F[C@@H]1CCNC1 013156 [1,0,0,1,0,0|2,0,0]=4 399 B6R1.2 F[C@H]1CCNC1 013157 [1,0,0,1,0,0|2,0,0]=4 400 B6R1.2 IC1CCCC1 097746 [1,0,0,1,0,0|1,0,0]=3 401 B6R1.2 NC1CCCC1 049405 [1,0,0,1,0,0|1,0,0]=3 402 B6R1.2 NC1CCNC1 024526 [1,0,0,1,0,0|2,0,0]=4 403 B6R1.2 NC1CCOC1 208592 [1,0,0,1,0,0|2,0,0]=4 404 B6R1.2 O=C1CCCC1 044205 [1,0,0,1,0,0|0,0,1]=3 405 B6R1.2 O=C1CCCN1 095374 [1,0,0,1,0,0|1,0,1]=4 406 B6R1.2 O=C1CCCN1 098215 [1,0,0,1,0,0|1,0,1]=4 407 B6R1.2 O=C1CCNC1 078709 [1,0,0,1,0,0|1,0,1]=4 408 B6R1.2 O=C1CCOC1 076836 [1,0,0,1,0,0|1,0,1]=4 409 B6R1.2 O=C1CCSC1 214765 [1,0,0,1,0,0|1,0,1]=4 410 B6R1.2 O=S1CCCC1 001093 [1,0,0,1,0,0|1,0,0]=3 411 B6R1.2 OC1CCCC1 044840 [1,0,0,1,0,0|0,0,1]=3 412 B6R1.2 OC1CCNC1 011341 [1,0,0,1,0,0|1,0,1]=4 413 B6R1.2 OC1CCOC1 005327 [1,0,0,1,0,0|1,0,1]=4 414 B6R1.2 O[C@@H]1CCNC1 076549 [1,0,0,1,0,0|1,0,1]=4 415 B6R1.2 O[C@@H]1CCOC1 093765 [1,0,0,1,0,0|1,0,1]=4 416 B6R1.2 O[C@H]1CCNC1 011760 [1,0,0,1,0,0|1,0,1]=4 417 B6R1.2 O[C@H]1CCNC1 093058 [1,0,0,1,0,0|1,0,1]=4 418 B6R1.2 O[C@H]1CCOC1 078070 [1,0,0,1,0,0|1,0,1]=4 419 B6R1.2 SC1CCCC1 075248 [1,0,0,1,0,0|0,1,0]=3 420 B6R1.6 BrCC1CCC1 067868 [1,0,0,1,0,0|1,0,1]=4 421 B6R1.6 ICC1CCC1 099276 [1,0,0,1,0,0|1,0,1]=4 422 B6R1.6 N#CC1CCC1 003364 [1,0,0,1,0,0|1,0,1]=4 423 B6R1.6 OCC1CCC1 009111 [1,0,0,1,0,0|0,0,2]=4 424 B8R1.1 NCC1CCC(=O)N1 318323 [0,1,0,1,0,0|1,0,0]=3 425 B8R1.1 O=C1CC(CO)CN1 038551 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.1 O=C1CC[C@@H](CO)N1 093783 [0,1,0,1,0,0|1,0,0]=3 427 B8R1.1 O=C1CC[C@@H](CO)O1 040029 [0,1,0,1,0,0|1,0,0]=3 428 B8R1.1 O=C1CC[C@H](CO)N1 040026 [0,1,0,1,0,0|1,0,0]=3 429 B8R1.1 O=C1NC[C@@H](CCl)O1 238564 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.1 O=C1OCC(CO)O1 521458 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.2 BrCC1CCCCC1 044195 [0,1,0,1,0,0|1,0,1]=4 432 B8R1.2 BrCC1CCCCO1 067845 [0,1,0,1,0,0|1,0,1]=4 433 B8R1.2 BrCC1CCOCC1 037029 [0,1,0,1,0,0|1,0,1]=4 434 B8R1.2 C#CC1CCCCC1 237953 [0,1,0,1,0,0|1,0,1]=4 435 B8R1.2 CC=C1CCCCC1 105541 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.2 CCC1CCCCN1 238822 [0,1,0,1,0,0|1,0,1]=4 437 B8R1.2 CCC1SCCCS1 104813 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.2 CNC1CCCCC1 221640 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.2 CNC1CCOCC1 016046 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.2 COC1CCNCC1 029227 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.2 COC1CCNCC1 046103 [0,1,0,1,0,0|2,0,0]=4 442 B8R1.2 N#CC1CCCCC1 243054 [0,1,0,1,0,0|1,0,1]=4 443 B8R1.2 N#CC1CCCNC1 061532 [0,1,0,1,0,0|1,0,1]=4 444 B8R1.2 N#CC1CCNCC1 024547 [0,1,0,1,0,0|1,0,1]=4 445 B8R1.2 N#CC1CCOCC1 044654 [0,1,0,1,0,0|1,0,1]=4 446 B8R1.2 NCC1CCCCC1 065546 [0,1,0,1,0,0|1,0,1]=4 447 B8R1.2 NCC1CCCCN1 208655 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.2 NCC1CCCNC1 092253 [0,1,0,1,0,0|1,0,1]=4 449 B8R1.2 NCC1CCNCC1 011323 [0,1,0,1,0,0|1,0,1]=4 450 B8R1.2 NCC1CCOCC1 033055 [0,1,0,1,0,0|1,0,1]=4 451 B8R1.2 NNC1CCCCC1 044302 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.2 NOC1CCCCO1 076716 [0,1,0,1,0,0|2,0,0]=4 453 B8R1.2 O=CC1=CCCCC1 235736 [0,1,0,1,0,0|0,0,1]=3 454 B8R1.2 O=CC1CCCCC1 050618 [0,1,0,1,0,0|0,0,0]=2 455 B8R1.2 O=CC1CCOCC1 065305 [0,1,0,1,0,0|0,0,0]=2 456 B8R1.2 O=CN1CCCCC1 208647 [0,1,0,1,0,0|1,0,0]=3 457 B8R1.2 O=CN1CCNCC1 223849 [0,1,0,1,0,0|1,0,0]=3 458 B8R1.2 O=CN1CCOCC1 078917 [0,1,0,1,0,0|1,0,0]=3 459 B8R1.2 OCC1CC=CCC1 067775 [0,1,0,1,0,0|2,0,0]=4 460 B8R1.2 OCC1CCC=CO1 M02893 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.2 OCC1CCCCC1 024256 [0,1,0,1,0,0|0,0,2]=4 462 B8R1.2 OCC1CCCCN1 078983 [0,1,0,1,0,0|0,0,2]=4 463 B8R1.2 OCC1CCCCO1 067745 [0,1,0,1,0,0|0,0,2]=4 464 B8R1.2 OCC1CCCNC1 036329 [0,1,0,1,0,0|0,0,2]=4 465 B8R1.2 OCC1CCNCC1 067749 [0,1,0,1,0,0|0,0,2]=4 466 B8R1.2 OCC1CCOCC1 047969 [0,1,0,1,0,0|0,0,2]=4 467 B8R1.2 OC[C@@H]1CCCCN1 230468 [0,1,0,1,0,0|0,0,2]=4 468 B8R1.2 OC[C@H]1CCCCN1 230469 [0,1,0,1,0,0|0,0,2]=4 469 B8R1.2 [C-]#[N+]C1CCCCC1 021021 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.8 C#CCC1CCCC1 099434 [0,1,0,1,0,0|1,0,1]=4 471 B8R1.8 NCCC1CCCC1 041854 [0,1,0,1,0,0|1,0,1]=4 472 B8R1.8 O=C=NC1CCCC1 047100 [0,1,0,1,0,0|0,0,1]=3 473 B8R1.8 O=CNC1CCCC1 103565 [0,1,0,1,0,0|0,0,0]=2 474 B8R1.8 OCCC1CCCC1 123900 [0,1,0,1,0,0|0,0,2]=4 475 B8R1.8 S=C=NC1CCCC1 002537 [0,1,0,1,0,0|0,1,1]=4 476 B8R1.7 NC(=O)C1CCCC1 440626 [0,1,0,1,0,0|0,0,0]=2 477 B8R1.7 NC(=O)[C@@H]1CCCN1 011847 [0,1,0,1,0,0|1,0,0]=3 478 B8R1.7 NC(=O)[C@@H]1CCCN1 240702 [0,1,0,1,0,0|1,0,0]=3 479 B8R1.7 NC(=O)[C@H]1CCCN1 011848 [0,1,0,1,0,0|1,0,0]=3 480 B8R1.7 NC(=O)[C@H]1CCCN1 M02958 [0,1,0,1,0,0|1,0,0]=3 481 B8R1.7 O=C(Cl)C1CCCC1 050562 [0,1,0,1,0,0|0,0,0]=2 482 B8R1.7 O=C(O)C1CC=CC1 011660 [0,1,0,1,0,0|0,0,2]=4 483 B8R1.7 O=C(O)C1CCCC1 094575 [0,1,0,1,0,0|0,0,0]=2 484 B8R1.7 O=C(O)C1CCCN1 M02942 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.7 O=C(O)C1CCCO1 225736 [0,1,0,1,0,0|1,0,0]=3 486 B8R1.7 O=C(O)C1CCNC1 093908 [0,1,0,1,0,0|1,0,0]=3 487 B8R1.7 O=C(O)C1CCOC1 034484 [0,1,0,1,0,0|1,0,0]=3 488 B8R1.7 O=C(O)C1NCCS1 005324 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.7 O=C(O)[C@@H]1CCCN1 M02947 [0,1,0,1,0,0|1,0,0]=3 490 B8R1.7 O=C(O)[C@@H]1CCCO1 093764 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.7 O=C(O)[C@@H]1CCNC1 093911 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.7 O=C(O)[C@@H]1CSCN1 036413 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.7 O=C(O)[C@H]1CCCN1 011849 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.7 O=C(O)[C@H]1CSCN1 226021 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.7 OB(O)C1CCCC1 011025 [0,1,0,1,0,0|1,0,1]=4 496 B8R1.7 S=C([S-])N1CCCC1 240903 [0,1,0,1,0,0|1,1,0]=4 497 B8R1.63 CNC1(C(=O)O)CC1 094770 [0,1,0,1,0,0|1,0,0]=3 498 B8R1.63 N#CC1(C(=O)O)CC1 001453 [0,1,0,1,0,0|1,0,1]=4 499 B8R1.52 NC1(CO)CCCC1 234227 [0,1,0,1,0,0|0,0,2]=4 500 B8R2.34 C1=CC2CCC1C2 236981 [0,0,0,2,0,0|1,0,0]=3