0 B5R0.1 C=C(C)CCBr 223736 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 C=C(C)CCO 358461 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 C=C(C)OCC 471668 [0,0,0,0,0,0|1,1,0]=2 3 B5R0.1 C=COC(C)=O 098012 [0,0,0,0,0,0|0,1,2]=3 4 B5R0.1 CC#CC(=O)O 009075 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(=O)CCCl 069833 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.1 CC(=O)CCO 358442 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CC(=O)NCO 430081 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.1 CC(Br)CCBr BR1240 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CC(C)=CC=O 386384 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CC(C)=CCBr 053316 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.1 CC(C)=CCCl 349314 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 CC(C)=CCO 358414 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 CC(C)CCBr BR1353 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 CC(C)CCI 046949 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CC(C)CCN 097749 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 CC(C)CCO 097704 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 CC(C)CCO 103352 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 CC(C)CCS 358459 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 CC(C)SC#N 005915 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.1 CC(O)CCO 099380 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.1 CCCB(O)O 092177 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 CCCC(=O)Cl 098879 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.1 CCCC(=O)O 102473 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.1 CCCC(C)Br 024476 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.1 CCCC(C)Br BR1101 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.1 CCCC(C)C 098758 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.1 CCCC(C)N 097754 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.1 CCCC(C)O 099024 [0,0,0,0,0,0|1,0,2]=3 29 B5R0.1 CCCC(C)S 070734 [0,0,0,0,0,0|1,1,1]=3 30 B5R0.1 CCCC(N)=O 356018 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.1 CCC[C@H](C)O 036089 [0,0,0,0,0,0|1,0,2]=3 32 B5R0.1 CCC[N+](=O)[O-] 520877 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.1 CCNC(C)C 057128 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.1 CCNC(N)=S 099168 [0,0,0,0,0,0|2,1,0]=3 35 B5R0.1 CCOC(=N)N 069301 [0,0,0,0,0,0|2,1,0]=3 36 B5R0.1 CCOC(=O)Cl 099901 [0,0,0,0,0,0|1,1,0]=2 37 B5R0.1 CCOC(C)=N 239394 [0,0,0,0,0,0|1,1,0]=2 38 B5R0.1 CCOC(C)=O 035909 [0,0,0,0,0,0|0,1,0]=1 39 B5R0.1 CCOC(C)=O 099553 [0,0,0,0,0,0|0,1,0]=1 40 B5R0.1 CCOC(C)=O 099895 [0,0,0,0,0,0|0,1,0]=1 41 B5R0.1 CCOC(N)=O 099367 [0,0,0,0,0,0|1,1,0]=2 42 B5R0.1 CCSC(=N)N 358408 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.1 CN(C)CCBr 077959 [0,0,0,0,0,0|4,0,0]=4 44 B5R0.1 CN(C)CCCl 077638 [0,0,0,0,0,0|4,0,0]=4 45 B5R0.1 CN(C)CCN 043851 [0,0,0,0,0,0|4,0,0]=4 46 B5R0.1 CN(C)CCO 044665 [0,0,0,0,0,0|4,0,0]=4 47 B5R0.1 CN(C)CCS 450419 [0,0,0,0,0,0|4,0,0]=4 48 B5R0.1 CNCC(=O)O 095119 [0,0,0,0,0,0|3,0,0]=3 49 B5R0.1 CNCC(C)C 047078 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.1 COCC(=O)Cl 053542 [0,0,0,0,0,0|3,0,0]=3 51 B5R0.1 COCC(=O)O 237785 [0,0,0,0,0,0|3,0,0]=3 52 B5R0.1 COCC(C)=O 002450 [0,0,0,0,0,0|2,0,0]=2 53 B5R0.1 COCC(C)N 402335 [0,0,0,0,0,0|3,0,1]=4 54 B5R0.1 COCC(C)O 093985 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.1 COC[C@@H](C)N 079780 [0,0,0,0,0,0|3,0,1]=4 56 B5R0.1 COC[C@@H](C)O 036090 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.1 CSCC(=O)O 010416 [0,0,0,0,0,0|3,0,0]=3 58 B5R0.1 CSCC(N)=O 092321 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.1 CSCS(C)=O 303199 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.1 C[C@@H](N)CCO 092790 [0,0,0,0,0,0|3,0,1]=4 61 B5R0.1 C[C@@H](O)CCO 041923 [0,0,0,0,0,0|2,0,2]=4 62 B5R0.1 C[C@H](N)CCO 092789 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.1 C[C@H](O)CCO 041922 [0,0,0,0,0,0|2,0,2]=4 64 B5R0.1 C\C=C\C(=O)Cl 358246 [0,0,0,0,0,0|2,0,1]=3 65 B5R0.1 C\C=C\C(=O)O 092792 [0,0,0,0,0,0|2,0,1]=3 66 B5R0.1 N#CCC(=O)O 098058 [0,0,0,0,0,0|3,0,1]=4 67 B5R0.1 N#CCC(N)=O 094603 [0,0,0,0,0,0|3,0,1]=4 68 B5R0.1 NC(=O)CCBr 456436 [0,0,0,0,0,0|3,0,0]=3 69 B5R0.1 NC(=O)CCCl 180018 [0,0,0,0,0,0|3,0,0]=3 70 B5R0.1 NCCC(=O)O 044720 [0,0,0,0,0,0|3,0,0]=3 71 B5R0.1 NCCC(N)=O 221578 [0,0,0,0,0,0|3,0,0]=3 72 B5R0.1 NOCC(=O)O 222804 [0,0,0,0,0,0|4,0,0]=4 73 B5R0.1 O=C(Cl)CCBr 104627 [0,0,0,0,0,0|3,0,0]=3 74 B5R0.1 O=C(Cl)CCCl 095162 [0,0,0,0,0,0|3,0,0]=3 75 B5R0.1 O=C(Cl)OCCl 320123 [0,0,0,0,0,0|2,1,0]=3 76 B5R0.1 O=C(O)CCBr 003025 [0,0,0,0,0,0|3,0,0]=3 77 B5R0.1 O=C(O)CCCl 242740 [0,0,0,0,0,0|3,0,0]=3 78 B5R0.1 O=C(O)CCI 003069 [0,0,0,0,0,0|3,0,0]=3 79 B5R0.1 O=C(O)CCO 147100 [0,0,0,0,0,0|3,0,0]=3 80 B5R0.1 O=C(O)CCS 094485 [0,0,0,0,0,0|3,0,0]=3 81 B5R0.1 O=[N+]([O-])CCO 358303 [0,0,0,0,0,0|4,0,0]=4 82 B4R0.1 C#CC(=O)O 167900 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.1 C#CC(C)=O 009078 [1,0,0,0,0,0|0,0,2]=3 84 B4R0.1 C=C(C)C=O 533380 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.1 C=C(C)CBr 067665 [1,0,0,0,0,0|2,0,0]=3 86 B4R0.1 C=C(C)CCl 094695 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 C=C(C)CO 358232 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 C=C(C)CS 038481 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.1 C=C(C)OC 032479 [1,0,0,0,0,0|1,1,0]=3 90 B4R0.1 C=C(Cl)CCl 003399 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.1 C=CC(=O)O 099597 [1,0,0,0,0,0|1,0,2]=4 92 B4R0.1 C=CC(C)=O 099068 [1,0,0,0,0,0|0,0,2]=3 93 B4R0.1 C=CC(N)=O 047867 [1,0,0,0,0,0|1,0,2]=4 94 B4R0.1 C=CC(N)=O 104581 [1,0,0,0,0,0|1,0,2]=4 95 B4R0.1 CC(=O)C=O 069255 [1,0,0,0,0,0|1,0,1]=3 96 B4R0.1 CC(=O)CCl 099980 [1,0,0,0,0,0|1,0,0]=2 97 B4R0.1 CC(=O)CN 078537 [1,0,0,0,0,0|1,0,0]=2 98 B4R0.1 CC(=O)CO 097598 [1,0,0,0,0,0|1,0,0]=2 99 B4R0.1 CC(=O)NN 049751 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.1 CC(=O)NO 078547 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.1 CC(=O)OO 102863 [1,0,0,0,0,0|1,1,0]=3 102 B4R0.1 CC(=O)O[TlH2] 044421 [1,0,0,0,0,0|1,1,0]=3 103 B4R0.1 CC(C)=NO 100400 [1,0,0,0,0,0|3,0,0]=4 104 B4R0.1 CC(C)CBr 097876 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.1 CC(C)CI 005441 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.1 CC(C)CN 094648 [1,0,0,0,0,0|2,0,1]=4 107 B4R0.1 CC(C)CO 098794 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.1 CC(C)CS 097785 [1,0,0,0,0,0|2,0,1]=4 109 B4R0.1 CC(Cl)CCl 094620 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.1 CC(N)CN 094789 [1,0,0,0,0,0|2,0,1]=4 111 B4R0.1 CC(N)CO 092185 [1,0,0,0,0,0|2,0,1]=4 112 B4R0.1 CC(O)CBr 001137 [1,0,0,0,0,0|1,0,2]=4 113 B4R0.1 CC(O)CN 099022 [1,0,0,0,0,0|1,0,2]=4 114 B4R0.1 CC(O)CO 492646 [1,0,0,0,0,0|1,0,2]=4 115 B4R0.1 CC=C(C)C 102641 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.1 CCB(O)O 065613 [1,0,0,0,0,0|2,0,1]=4 117 B4R0.1 CCC(=O)Br BR1194 [1,0,0,0,0,0|1,0,0]=2 118 B4R0.1 CCC(=O)Cl 098881 [1,0,0,0,0,0|1,0,0]=2 119 B4R0.1 CCC(=O)O 098214 [1,0,0,0,0,0|1,0,0]=2 120 B4R0.1 CCC(=O)O 104856 [1,0,0,0,0,0|1,0,0]=2 121 B4R0.1 CCC(=O)[O-] 105990 [1,0,0,0,0,0|1,0,0]=2 122 B4R0.1 CCC(=O)[O-] 106505 [1,0,0,0,0,0|1,0,0]=2 123 B4R0.1 CCC(C)=O 046806 [1,0,0,0,0,0|0,0,0]=1 124 B4R0.1 CCC(C)=O 075238 [1,0,0,0,0,0|0,0,0]=1 125 B4R0.1 CCC(C)=O 101973 [1,0,0,0,0,0|0,0,0]=1 126 B4R0.1 CCC(C)=O 102570 [1,0,0,0,0,0|0,0,0]=1 127 B4R0.1 CCC(C)Br 110100 [1,0,0,0,0,0|1,0,1]=3 128 B4R0.1 CCC(C)C 105976 [1,0,0,0,0,0|1,0,1]=3 129 B4R0.1 CCC(C)I 099306 [1,0,0,0,0,0|1,0,1]=3 130 B4R0.1 CCC(C)N 094534 [1,0,0,0,0,0|1,0,1]=3 131 B4R0.1 CCC(C)O 080268 [1,0,0,0,0,0|0,0,2]=3 132 B4R0.1 CCC(C)S 098013 [1,0,0,0,0,0|0,1,1]=3 133 B4R0.1 CCC(N)=O 069325 [1,0,0,0,0,0|1,0,0]=2 134 B4R0.1 CCN(C)C 099918 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.1 CCS(=O)[O-] 035597 [1,0,0,0,0,0|2,0,0]=3 136 B4R0.1 CC[C@H](C)O 036066 [1,0,0,0,0,0|0,0,2]=3 137 B4R0.1 CNC(=O)Cl 358405 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.1 CNC(C)=O 154700 [1,0,0,0,0,0|1,0,0]=2 139 B4R0.1 CNC(C)C 094496 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.1 CNC(N)=O 227727 [1,0,0,0,0,0|2,0,0]=3 141 B4R0.1 CNC(N)=S 018883 [1,0,0,0,0,0|2,1,0]=4 142 B4R0.1 CNN(C)C 040144 [1,0,0,0,0,0|3,0,0]=4 143 B4R0.1 COC(=N)N 242831 [1,0,0,0,0,0|2,1,0]=4 144 B4R0.1 COC(=N)N 449588 [1,0,0,0,0,0|2,1,0]=4 145 B4R0.1 COC(=O)Cl 099160 [1,0,0,0,0,0|1,1,0]=3 146 B4R0.1 COC(C)=O 098761 [1,0,0,0,0,0|0,1,0]=2 147 B4R0.1 COC(N)=O 080112 [1,0,0,0,0,0|1,1,0]=3 148 B4R0.1 COC(N)=[NH2+] 079024 [1,0,0,0,0,0|2,1,0]=4 149 B4R0.1 CO[SiH](C)C S07285 [1,0,0,0,0,0|1,2,0]=4 150 B4R0.1 CSC(=N)N 221462 [1,0,0,0,0,0|2,0,0]=3 151 B4R0.1 C[C@@H](N)CO M03439 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.1 C[C@@H](O)CN 234011 [1,0,0,0,0,0|1,0,2]=4 153 B4R0.1 C[C@@H](O)CO 166900 [1,0,0,0,0,0|1,0,2]=4 154 B4R0.1 C[C@H](N)CO M03438 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.1 C[C@H](O)CN 079460 [1,0,0,0,0,0|1,0,2]=4 156 B4R0.1 C[C@H](O)CO 049743 [1,0,0,0,0,0|1,0,2]=4 157 B4R0.1 C\C(N)=N\O 075417 [1,0,0,0,0,0|3,0,0]=4 158 B4R0.1 N=C(N)CCl 018354 [1,0,0,0,0,0|3,0,0]=4 159 B4R0.1 NC(=O)CBr 091505 [1,0,0,0,0,0|2,0,0]=3 160 B4R0.1 NC(=O)CCl 079297 [1,0,0,0,0,0|2,0,0]=3 161 B4R0.1 NC(=O)CI 001085 [1,0,0,0,0,0|2,0,0]=3 162 B4R0.1 NC(=O)CS 069297 [1,0,0,0,0,0|2,0,0]=3 163 B4R0.1 NC(=O)NO 043351 [1,0,0,0,0,0|3,0,0]=4 164 B4R0.1 NCC(=O)O 105741 [1,0,0,0,0,0|2,0,0]=3 165 B4R0.1 NCC(=O)O 229198 [1,0,0,0,0,0|2,0,0]=3 166 B4R0.1 NCC(=O)O M03001 [1,0,0,0,0,0|2,0,0]=3 167 B4R0.1 NCC(=O)[O-] 240909 [1,0,0,0,0,0|2,0,0]=3 168 B4R0.1 NCC(N)=O 078516 [1,0,0,0,0,0|2,0,0]=3 169 B4R0.1 NNC(N)=O 242276 [1,0,0,0,0,0|3,0,0]=4 170 B4R0.1 O=C(Br)CBr 004136 [1,0,0,0,0,0|2,0,0]=3 171 B4R0.1 O=C(Cl)CBr 109400 [1,0,0,0,0,0|2,0,0]=3 172 B4R0.1 O=C(Cl)CCl 098899 [1,0,0,0,0,0|2,0,0]=3 173 B4R0.1 O=C(Cl)CCl 099381 [1,0,0,0,0,0|2,0,0]=3 174 B4R0.1 O=C(Cl)SCl 019067 [1,0,0,0,0,0|2,0,0]=3 175 B4R0.1 O=C(O)CBr 004135 [1,0,0,0,0,0|2,0,0]=3 176 B4R0.1 O=C(O)CCl 095375 [1,0,0,0,0,0|2,0,0]=3 177 B4R0.1 O=C(O)CI 520348 [1,0,0,0,0,0|2,0,0]=3 178 B4R0.1 O=C(O)CO 058235 [1,0,0,0,0,0|2,0,0]=3 179 B4R0.1 O=C(O)CO 103022 [1,0,0,0,0,0|2,0,0]=3 180 B4R0.1 O=C(O)CS 097732 [1,0,0,0,0,0|2,0,0]=3 181 B4R0.1 O=C([O-])CCl 099322 [1,0,0,0,0,0|2,0,0]=3 182 B4R0.1 O=C([O-])CO 195404 [1,0,0,0,0,0|2,0,0]=3 183 B4R0.1 O=C([O-])CS 106508 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.1 O=CC(=O)O 095359 [1,0,0,0,0,0|2,0,1]=4 185 B4R0.1 O=S([O-])CO 450343 [1,0,0,0,0,0|3,0,0]=4 186 B4R0.1 O=[N+]([O-])CBr 002518 [1,0,0,0,0,0|3,0,0]=4 187 B4R0.1 [15NH2][13CH2]C(=O)O 103447 [1,0,0,0,0,0|2,0,0]=3 188 B4R0.2 C#CCCC 164100 [1,0,0,0,0,0|1,0,2]=4 189 B4R0.2 C#COCC 050428 [1,0,0,0,0,0|0,1,2]=4 190 B4R0.2 C=CCCBr 010654 [1,0,0,0,0,0|2,0,1]=4 191 B4R0.2 C=CCCCl 106339 [1,0,0,0,0,0|2,0,1]=4 192 B4R0.2 C=CCCI 103032 [1,0,0,0,0,0|2,0,1]=4 193 B4R0.2 C=CCCO 114900 [1,0,0,0,0,0|2,0,1]=4 194 B4R0.2 C=CCNC 069326 [1,0,0,0,0,0|2,0,1]=4 195 B4R0.2 C=CCSC 106338 [1,0,0,0,0,0|2,0,1]=4 196 B4R0.2 CC#CCBr 009057 [1,0,0,0,0,0|2,0,1]=4 197 B4R0.2 CC#CCO 009076 [1,0,0,0,0,0|2,0,1]=4 198 B4R0.2 CCCC#N 046731 [1,0,0,0,0,0|2,0,1]=4 199 B4R0.2 CCCC=O 094987 [1,0,0,0,0,0|1,0,0]=2 200 B4R0.2 CCCCBr 098944 [1,0,0,0,0,0|2,0,1]=4 201 B4R0.2 CCCCC 995196 [1,0,0,0,0,0|1,0,1]=3 202 B4R0.2 CCCCI 094442 [1,0,0,0,0,0|2,0,1]=4 203 B4R0.2 CCCCN 094792 [1,0,0,0,0,0|2,0,1]=4 204 B4R0.2 CCCCO 035921 [1,0,0,0,0,0|1,0,2]=4 205 B4R0.2 CCCCO 075156 [1,0,0,0,0,0|1,0,2]=4 206 B4R0.2 CCCCO 101601 [1,0,0,0,0,0|1,0,2]=4 207 B4R0.2 CCCCS 046727 [1,0,0,0,0,0|1,1,1]=4 208 B4R0.2 CCCC[Mg+] 102041 [1,0,0,0,0,0|2,0,1]=4 209 B4R0.2 CCCC[S-] 104802 [1,0,0,0,0,0|1,1,1]=4 210 B4R0.2 CCCNC 056258 [1,0,0,0,0,0|2,0,0]=3 211 B4R0.2 CCN=C=S 053245 [1,0,0,0,0,0|1,1,1]=4 212 B4R0.2 CCNC=O 099258 [1,0,0,0,0,0|1,0,0]=2 213 B4R0.2 CCNCC 043314 [1,0,0,0,0,0|1,0,1]=3 214 B4R0.2 CCNCC 129100 [1,0,0,0,0,0|1,0,1]=3 215 B4R0.2 CCOC=N 099169 [1,0,0,0,0,0|1,1,0]=3 216 B4R0.2 CCOC=O 044728 [1,0,0,0,0,0|0,1,0]=2 217 B4R0.2 CCOCC 075236 [1,0,0,0,0,0|0,1,1]=3 218 B4R0.2 CCOCC 099494 [1,0,0,0,0,0|0,1,1]=3 219 B4R0.2 CCOCC 101608 [1,0,0,0,0,0|0,1,1]=3 220 B4R0.2 CCOCC 105564 [1,0,0,0,0,0|0,1,1]=3 221 B4R0.2 CCOCCl 005431 [1,0,0,0,0,0|1,1,1]=4 222 B4R0.2 CC[SiH2]CC S06500 [1,0,0,0,0,0|1,0,1]=3 223 B4R0.2 CC[Zn]CC 098867 [1,0,0,0,0,0|1,0,1]=3 224 B4R0.2 CC[Zn]CC 098978 [1,0,0,0,0,0|1,0,1]=3 225 B4R0.2 CNCCN 094592 [1,0,0,0,0,0|3,0,0]=4 226 B4R0.2 CNCCO 095022 [1,0,0,0,0,0|3,0,0]=4 227 B4R0.2 COCCBr 005433 [1,0,0,0,0,0|3,0,0]=4 228 B4R0.2 COCCN 046846 [1,0,0,0,0,0|3,0,0]=4 229 B4R0.2 COCCO 043320 [1,0,0,0,0,0|3,0,0]=4 230 B4R0.2 COCCO 102150 [1,0,0,0,0,0|3,0,0]=4 231 B4R0.2 COCOC 094560 [1,0,0,0,0,0|3,0,0]=4 232 B4R0.2 CSCCCl 044921 [1,0,0,0,0,0|3,0,0]=4 233 B4R0.2 CSCCO 003087 [1,0,0,0,0,0|3,0,0]=4 234 B4R0.2 C\C=C\C#N 099018 [1,0,0,0,0,0|2,0,1]=4 235 B4R0.2 C\C=C\C=O 245633 [1,0,0,0,0,0|1,0,1]=3 236 B4R0.2 C\C=C\CBr 103776 [1,0,0,0,0,0|2,0,0]=3 237 B4R0.2 C\C=C\CO 103771 [1,0,0,0,0,0|2,0,0]=3 238 B4R0.2 ClCSCCl 108200 [1,0,0,0,0,0|2,0,1]=4 239 B4R0.2 Cl\C=C\CCl 358262 [1,0,0,0,0,0|3,0,0]=4 240 B4R0.2 O=C[N-]C=O 019259 [1,0,0,0,0,0|2,0,1]=4 241 B4R0.2 [Li]CCCC 044819 [1,0,0,0,0,0|2,0,1]=4 242 B6R0.1 C#CC(=O)OCC 003001 [0,1,0,0,0,0|0,1,1]=3 243 B6R0.1 C=CC(=O)NCO 243116 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.1 C=CC(=O)OCC 094594 [0,1,0,0,0,0|0,1,1]=3 245 B6R0.1 C=CCC(=O)OC 513980 [0,1,0,0,0,0|1,0,2]=4 246 B6R0.1 C=COC(=O)CC 005111 [0,1,0,0,0,0|0,1,2]=4 247 B6R0.1 CC#CC(=O)OC 155800 [0,1,0,0,0,0|1,0,1]=3 248 B6R0.1 CCCC(=O)NN 018345 [0,1,0,0,0,0|2,0,0]=3 249 B6R0.1 CCCC(=O)OC 358407 [0,1,0,0,0,0|1,0,0]=2 250 B6R0.1 CCCC(C)C=O 520881 [0,1,0,0,0,0|1,0,1]=3 251 B6R0.1 CCCC(O)CO 242929 [0,1,0,0,0,0|1,0,2]=4 252 B6R0.1 CCNC(=O)CCl 069838 [0,1,0,0,0,0|1,0,0]=2 253 B6R0.1 CCNC(=O)CN 075036 [0,1,0,0,0,0|1,0,0]=2 254 B6R0.1 CCNC(=O)OC 104168 [0,1,0,0,0,0|1,0,0]=2 255 B6R0.1 CCOC(=O)C#N 046945 [0,1,0,0,0,0|0,1,1]=3 256 B6R0.1 CCOC(=O)C=O 079534 [0,1,0,0,0,0|0,1,1]=3 257 B6R0.1 CCOC(=O)CBr 006091 [0,1,0,0,0,0|0,1,0]=2 258 B6R0.1 CCOC(=O)CC 094652 [0,1,0,0,0,0|0,1,0]=2 259 B6R0.1 CCOC(=O)CCl 097784 [0,1,0,0,0,0|0,1,0]=2 260 B6R0.1 CCOC(=O)CF 019465 [0,1,0,0,0,0|0,1,0]=2 261 B6R0.1 CCOC(=O)CI 324768 [0,1,0,0,0,0|0,1,0]=2 262 B6R0.1 CCOC(=O)CN 094472 [0,1,0,0,0,0|0,1,0]=2 263 B6R0.1 CCOC(=O)CO 227697 [0,1,0,0,0,0|0,1,0]=2 264 B6R0.1 CCOC(=O)CS 099611 [0,1,0,0,0,0|0,1,0]=2 265 B6R0.1 CCOC(=O)NN 208618 [0,1,0,0,0,0|1,1,0]=3 266 B6R0.1 CCOC(=S)S[K] 033163 [0,1,0,0,0,0|1,2,0]=4 267 B6R0.1 CCO\C(C)=N/O 036372 [0,1,0,0,0,0|0,1,1]=3 268 B6R0.1 CC\C=C(/C)C=O 103302 [0,1,0,0,0,0|1,0,0]=2 269 B6R0.1 CNC(=O)CC#N 078007 [0,1,0,0,0,0|2,0,1]=4 270 B6R0.1 CNC(=O)CCBr 104783 [0,1,0,0,0,0|2,0,0]=3 271 B6R0.1 CNCC(=O)OC M03234 [0,1,0,0,0,0|2,0,0]=3 272 B6R0.1 COC(=O)CC#N 034870 [0,1,0,0,0,0|2,0,1]=4 273 B6R0.1 COC(=O)CCBr 216315 [0,1,0,0,0,0|2,0,0]=3 274 B6R0.1 COC(=O)CCI 103108 [0,1,0,0,0,0|2,0,0]=3 275 B6R0.1 COC(=O)CCN 032703 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.1 COC(=O)CCO 223297 [0,1,0,0,0,0|2,0,0]=3 277 B6R0.1 COC(=O)CCS 053164 [0,1,0,0,0,0|2,0,0]=3 278 B6R0.1 COC(=O)CSC 002978 [0,1,0,0,0,0|2,0,0]=3 279 B6R0.1 COC(=O)\C=C\[O-] 102950 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.1 COCC(=O)NN 005975 [0,1,0,0,0,0|3,0,0]=4 281 B6R0.1 COCC(=O)OC 358440 [0,1,0,0,0,0|2,0,0]=3 282 B6R0.1 C\C=C\C(=O)OC 236942 [0,1,0,0,0,0|1,0,1]=3 283 B6R0.1 O=C(CCl)NCO 242902 [0,1,0,0,0,0|2,0,0]=3 284 B6R0.1 [C-]#[N+]CC(=O)OC 358364 [0,1,0,0,0,0|2,0,1]=4 285 B6R0.2 C=C(C)C=C(C)C 104537 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.2 C=C(C)OC(C)=O 101993 [0,1,0,0,0,0|0,1,1]=3 287 B6R0.2 CC(=O)C=C(C)C 098815 [0,1,0,0,0,0|1,0,1]=3 288 B6R0.2 CC(=O)CC(C)=O 100600 [0,1,0,0,0,0|1,0,1]=3 289 B6R0.2 CC(=O)CC(C)C 044985 [0,1,0,0,0,0|1,0,0]=2 290 B6R0.2 CC(=O)CC(C)C 102383 [0,1,0,0,0,0|1,0,0]=2 291 B6R0.2 CC(=O)CC(N)=O 444419 [0,1,0,0,0,0|2,0,1]=4 292 B6R0.2 CC(=O)NC(=N)N 236770 [0,1,0,0,0,0|2,0,1]=4 293 B6R0.2 CC(=O)NC(C)C 208609 [0,1,0,0,0,0|1,0,0]=2 294 B6R0.2 CC(=O)NC(N)=O 349305 [0,1,0,0,0,0|2,0,1]=4 295 B6R0.2 CC(=O)NC(N)=S 520343 [0,1,0,0,0,0|2,0,1]=4 296 B6R0.2 CC(=O)OC(C)=O 035908 [0,1,0,0,0,0|0,1,1]=3 297 B6R0.2 CC(=O)OC(C)=O 099749 [0,1,0,0,0,0|0,1,1]=3 298 B6R0.2 CC(=O)OC(C)C 099370 [0,1,0,0,0,0|0,1,0]=2 299 B6R0.2 CC(=O)[CH-]C(C)=O 450501 [0,1,0,0,0,0|1,0,1]=3 300 B6R0.2 CC(=O)\C=C(\C)[O-] 095827 [0,1,0,0,0,0|1,0,1]=3 301 B6R0.2 CC(=O)\C=C(\C)[O-] 102213 [0,1,0,0,0,0|1,0,1]=3 302 B6R0.2 CC(=O)\C=C(\C)[O-] 103716 [0,1,0,0,0,0|1,0,1]=3 303 B6R0.2 CC(=O)\C=C(\C)[O-] 103741 [0,1,0,0,0,0|1,0,1]=3 304 B6R0.2 CC(=O)\C=C(\C)[O-] 415350 [0,1,0,0,0,0|1,0,1]=3 305 B6R0.2 CC(=O)\C=C(\C)[O-] 494110 [0,1,0,0,0,0|1,0,1]=3 306 B6R0.2 CC(=[OH+])C=C(C)O 245745 [0,1,0,0,0,0|1,0,2]=4 307 B6R0.2 CC(C)=CC(=O)Cl 438394 [0,1,0,0,0,0|2,0,1]=4 308 B6R0.2 CC(C)=CC(=O)O 208603 [0,1,0,0,0,0|2,0,1]=4 309 B6R0.2 CC(C)=NC(C)C 022053 [0,1,0,0,0,0|2,0,0]=3 310 B6R0.2 CC(C)CC(=O)Cl 520885 [0,1,0,0,0,0|2,0,0]=3 311 B6R0.2 CC(C)CC(=O)O 242835 [0,1,0,0,0,0|2,0,0]=3 312 B6R0.2 CC(C)CC(C)N 214337 [0,1,0,0,0,0|2,0,1]=4 313 B6R0.2 CC(C)CC(C)O 242810 [0,1,0,0,0,0|1,0,2]=4 314 B6R0.2 CC(C)CC(N)=O 342138 [0,1,0,0,0,0|2,0,0]=3 315 B6R0.2 CC(C)CS(=O)[O-] 070723 [0,1,0,0,0,0|3,0,0]=4 316 B6R0.2 CC(C)NC(C)C 005001 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.2 CC(C)NC(C)C 995001 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.2 CC(C)NC(N)=O 101565 [0,1,0,0,0,0|2,0,0]=3 319 B6R0.2 CC(C)NC(N)=S 018760 [0,1,0,0,0,0|2,1,0]=4 320 B6R0.2 CC(C)SC(C)C 105009 [0,1,0,0,0,0|1,0,1]=3 321 B6R0.2 CC(Cl)CN(C)C 434039 [0,1,0,0,0,0|3,0,0]=4 322 B6R0.2 CC(Cl)OC(=O)Cl 019459 [0,1,0,0,0,0|1,1,0]=3 323 B6R0.2 CC(N)CC(=O)O 208617 [0,1,0,0,0,0|2,0,0]=3 324 B6R0.2 CC(O)CN(C)C 092070 [0,1,0,0,0,0|3,0,0]=4 325 B6R0.2 CN(C)CC(=O)O 044353 [0,1,0,0,0,0|3,0,0]=4 326 B6R0.2 CN(C)CC(=O)O 216339 [0,1,0,0,0,0|3,0,0]=4 327 B6R0.2 C[C@@H](N)CC(=O)O 034436 [0,1,0,0,0,0|2,0,0]=3 328 B6R0.2 C[C@@H](N)CC(=O)O 078594 [0,1,0,0,0,0|2,0,0]=3 329 B6R0.3 C=C(C)C(=O)NC 241594 [0,1,0,0,0,0|3,0,0]=4 330 B6R0.3 C=C(C)C(=O)OC 995248 [0,1,0,0,0,0|3,0,0]=4 331 B6R0.3 C=CN(C)C(C)=O 235676 [0,1,0,0,0,0|1,0,2]=4 332 B6R0.3 CC(=O)\C(C)=N\O 099089 [0,1,0,0,0,0|3,0,0]=4 333 B6R0.3 CC(CN)C(=O)O 226386 [0,1,0,0,0,0|3,0,0]=4 334 B6R0.3 CCC(=O)C(C)=O 464570 [0,1,0,0,0,0|1,0,0]=2 335 B6R0.3 CCC(=O)C(C)C 386812 [0,1,0,0,0,0|2,0,1]=4 336 B6R0.3 CCC(=O)N(C)C 235586 [0,1,0,0,0,0|3,0,0]=4 337 B6R0.3 CCC(Br)C(=O)Br 241269 [0,1,0,0,0,0|2,0,0]=3 338 B6R0.3 CCC(Br)C(=O)O 242857 [0,1,0,0,0,0|2,0,0]=3 339 B6R0.3 CCC(C)C(=O)Cl 102938 [0,1,0,0,0,0|2,0,0]=3 340 B6R0.3 CCC(C)C(=O)O 155900 [0,1,0,0,0,0|2,0,0]=3 341 B6R0.3 CCC(C)C(C)O 103328 [0,1,0,0,0,0|1,0,2]=4 342 B6R0.3 CCC(C)C(N)=O 102996 [0,1,0,0,0,0|2,0,0]=3 343 B6R0.3 CCC(N)C(=O)O M01290 [0,1,0,0,0,0|2,0,0]=3 344 B6R0.3 CCC(O)C(C)C 240664 [0,1,0,0,0,0|2,0,1]=4 345 B6R0.3 CC[C@@H](N)C(=O)O 044880 [0,1,0,0,0,0|2,0,0]=3 346 B6R0.3 CC[C@H](N)C(=O)O 024718 [0,1,0,0,0,0|2,0,0]=3 347 B6R0.3 CNC(=O)C(=O)O 023479 [0,1,0,0,0,0|3,0,0]=4 348 B6R0.3 CNC(C)C(=O)O 075290 [0,1,0,0,0,0|3,0,0]=4 349 B6R0.3 CN[C@@H](C)C(=O)O 075289 [0,1,0,0,0,0|3,0,0]=4 350 B6R0.3 CN[C@H](C)C(=O)O 075291 [0,1,0,0,0,0|3,0,0]=4 351 B6R0.3 COC(=O)C(=O)Cl 386747 [0,1,0,0,0,0|3,0,0]=4 352 B6R0.3 COC(=O)C(C)=O 094169 [0,1,0,0,0,0|2,0,0]=3 353 B6R0.3 CON(C)C(C)=O 153700 [0,1,0,0,0,0|2,0,0]=3 354 B6R0.3 C[C@@H](CN)C(=O)O 215235 [0,1,0,0,0,0|3,0,0]=4 355 B6R0.3 C\C=C(/C)C(=O)O 099810 [0,1,0,0,0,0|2,0,1]=4 356 B6R0.3 NC(=O)[C@@H](N)CO 217138 [0,1,0,0,0,0|3,0,0]=4 357 B6R0.3 NC(CO)C(=O)O 093750 [0,1,0,0,0,0|3,0,0]=4 358 B6R0.3 NC(CS)C(=O)O 241173 [0,1,0,0,0,0|3,0,0]=4 359 B6R0.3 NC[C@H](O)C(=O)O 222535 [0,1,0,0,0,0|3,0,0]=4 360 B6R0.3 N[C@@H](CO)C(=O)O 043859 [0,1,0,0,0,0|3,0,0]=4 361 B6R0.3 N[C@@H](CS)C(=O)O 093727 [0,1,0,0,0,0|3,0,0]=4 362 B6R0.3 N[C@@H](CS)C(=O)O 102087 [0,1,0,0,0,0|3,0,0]=4 363 B6R0.3 N[C@@H](CS)C(=O)O 318726 [0,1,0,0,0,0|3,0,0]=4 364 B6R0.3 N[C@@H](CS)C(=O)O M03086 [0,1,0,0,0,0|3,0,0]=4 365 B6R0.3 N[C@H](CO)C(=O)O 011887 [0,1,0,0,0,0|3,0,0]=4 366 B6R0.3 N[C@H](CS)C(=O)O 036386 [0,1,0,0,0,0|3,0,0]=4 367 B6R0.3 N[C@H](CS)C(=O)O 049424 [0,1,0,0,0,0|3,0,0]=4 368 B6R0.3 O=C(O)C(Br)CBr 077984 [0,1,0,0,0,0|3,0,0]=4 369 B6R0.3 O=C(O)C(O)CO 143500 [0,1,0,0,0,0|3,0,0]=4 370 B6R0.4 C#CCCC(=O)O 164204 [0,1,0,0,0,0|2,0,1]=4 371 B6R0.4 C#CCNC(C)=O 471787 [0,1,0,0,0,0|1,0,1]=3 372 B6R0.4 C#CCOC(C)=O 167000 [0,1,0,0,0,0|0,1,1]=3 373 B6R0.4 C(CC)=CC(=O)O 001396 [0,1,0,0,0,0|2,0,0]=3 374 B6R0.4 C=C(C)CNCC 098963 [0,1,0,0,0,0|2,0,0]=3 375 B6R0.4 C=CCCC(=O)O 002777 [0,1,0,0,0,0|2,0,1]=4 376 B6R0.4 C=CCCC(C)=O 358446 [0,1,0,0,0,0|1,0,1]=3 377 B6R0.4 C=CCNC(C)=O 103870 [0,1,0,0,0,0|1,0,1]=3 378 B6R0.4 C=CCOC(=O)Cl 099832 [0,1,0,0,0,0|1,1,1]=4 379 B6R0.4 C=CCOC(C)=O 099570 [0,1,0,0,0,0|0,1,1]=3 380 B6R0.4 CC(=O)CCCCl 326218 [0,1,0,0,0,0|1,0,0]=2 381 B6R0.4 CC(=O)CCCO 093373 [0,1,0,0,0,0|1,0,0]=2 382 B6R0.4 CC(=O)NCCN 226270 [0,1,0,0,0,0|1,0,0]=2 383 B6R0.4 CC(=O)NCCO 094790 [0,1,0,0,0,0|1,0,0]=2 384 B6R0.4 CC(=O)NCCS 106473 [0,1,0,0,0,0|1,0,0]=2 385 B6R0.4 CC(=O)OCCBr 024963 [0,1,0,0,0,0|0,1,0]=2 386 B6R0.4 CC(=O)OCCO 046708 [0,1,0,0,0,0|0,1,0]=2 387 B6R0.4 CC(Br)CCCBr 001096 [0,1,0,0,0,0|2,0,1]=4 388 B6R0.4 CC(C)NCCO 069257 [0,1,0,0,0,0|2,0,1]=4 389 B6R0.4 CC(C)OCCO 150900 [0,1,0,0,0,0|1,1,1]=4 390 B6R0.4 CC(O)CCCO 386330 [0,1,0,0,0,0|1,0,2]=4 391 B6R0.4 CCC#CC(=O)O 164200 [0,1,0,0,0,0|2,0,0]=3 392 B6R0.4 CCC#CC(C)O 105445 [0,1,0,0,0,0|1,0,2]=4 393 B6R0.4 CCCCC(=O)Cl 099590 [0,1,0,0,0,0|2,0,0]=3 394 B6R0.4 CCCCC(=O)O 066625 [0,1,0,0,0,0|2,0,0]=3 395 B6R0.4 CCCCC(C)=O 098350 [0,1,0,0,0,0|1,0,0]=2 396 B6R0.4 CCCCC(C)N 214315 [0,1,0,0,0,0|2,0,1]=4 397 B6R0.4 CCCCC(N)=O 176500 [0,1,0,0,0,0|2,0,0]=3 398 B6R0.4 CCCCN(C)C 115800 [0,1,0,0,0,0|3,0,0]=4 399 B6R0.4 CCCC[C@@H](C)O 036116 [0,1,0,0,0,0|1,0,2]=4 400 B6R0.4 CCCNC(C)=O 099232 [0,1,0,0,0,0|1,0,0]=2 401 B6R0.4 CCCNC(N)=S 018984 [0,1,0,0,0,0|2,1,0]=4 402 B6R0.4 CCCOC(C)=O 104128 [0,1,0,0,0,0|0,1,0]=2 403 B6R0.4 CCOCC(=O)O 461062 [0,1,0,0,0,0|1,1,0]=3 404 B6R0.4 CCSCC(=O)O 001760 [0,1,0,0,0,0|1,0,0]=2 405 B6R0.4 CN(C)CCCBr 079586 [0,1,0,0,0,0|3,0,0]=4 406 B6R0.4 CN(C)CCCCl 240358 [0,1,0,0,0,0|3,0,0]=4 407 B6R0.4 CN(C)CCCN 094726 [0,1,0,0,0,0|3,0,0]=4 408 B6R0.4 CN(C)CCCO 242665 [0,1,0,0,0,0|3,0,0]=4 409 B6R0.4 CNCCC(C)C 321590 [0,1,0,0,0,0|2,0,1]=4 410 B6R0.4 CNCCN(C)C 236768 [0,1,0,0,0,0|3,0,0]=4 411 B6R0.4 COCCC(=O)Cl 014676 [0,1,0,0,0,0|2,0,0]=3 412 B6R0.4 COCCC(=O)O 091199 [0,1,0,0,0,0|2,0,0]=3 413 B6R0.4 COCCC(N)=O 091205 [0,1,0,0,0,0|2,0,0]=3 414 B6R0.4 CO\C=C\C(C)=O 099154 [0,1,0,0,0,0|1,0,1]=3 415 B6R0.4 CSCCC(=O)O 013666 [0,1,0,0,0,0|2,0,0]=3 416 B6R0.4 NC(=O)NCCO 319865 [0,1,0,0,0,0|2,0,0]=3 417 B6R0.4 NC(=O)OCCCl 103494 [0,1,0,0,0,0|1,1,0]=3 418 B6R0.4 NCCCC(=O)O 005047 [0,1,0,0,0,0|2,0,0]=3 419 B6R0.4 NCCNC(N)=O 033079 [0,1,0,0,0,0|2,0,0]=3 420 B6R0.4 O=C(Cl)CCCBr 001349 [0,1,0,0,0,0|2,0,0]=3 421 B6R0.4 O=C(Cl)CCCCl 099540 [0,1,0,0,0,0|2,0,0]=3 422 B6R0.4 O=C(O)CCCBr 043390 [0,1,0,0,0,0|2,0,0]=3 423 B6R0.4 O=C([O-])CNCO 226097 [0,1,0,0,0,0|3,0,0]=4 424 B6R0.4 O=CCCC(=O)O 103323 [0,1,0,0,0,0|2,0,1]=4 425 B6R0.5 CCCC(C)(C)O 356177 [0,1,0,0,0,0|1,0,2]=4 426 B6R0.5 CCCP(=O)(O)O 102644 [0,1,0,0,0,0|3,0,0]=4 427 B6R0.5 CCCS(=O)(=O)Cl 094413 [0,1,0,0,0,0|3,0,0]=4 428 B6R0.5 CCOS(C)(=O)=O 001758 [0,1,0,0,0,0|1,1,0]=3 429 B6R0.5 CCO[Si](C)(C)C S08635 [0,1,0,0,0,0|1,2,0]=4 430 B6R0.5 CCS[Si](C)(C)C 103431 [0,1,0,0,0,0|1,1,0]=3 431 B6R0.5 CS(=O)(=O)CCN 035902 [0,1,0,0,0,0|3,0,0]=4 432 B6R0.5 CS(=O)(=O)CCO 002961 [0,1,0,0,0,0|3,0,0]=4 433 B6R1.2 BrC1CCCC1 021866 [0,0,0,1,0,0|2,0,1]=4 434 B6R1.2 CC1=CC=CS1 001209 [0,0,0,1,0,0|1,0,2]=4 435 B6R1.2 CC1=CCCC1 103763 [0,0,0,1,0,0|2,0,0]=3 436 B6R1.2 CC1=NCCN1 103446 [0,0,0,1,0,0|2,0,0]=3 437 B6R1.2 CC1=NCCO1 099141 [0,0,0,1,0,0|1,0,1]=3 438 B6R1.2 CC1CCCC1 101560 [0,0,0,1,0,0|2,0,1]=4 439 B6R1.2 CC1CCCO1 094054 [0,0,0,1,0,0|1,0,2]=4 440 B6R1.2 CN1CCCC1 046845 [0,0,0,1,0,0|3,0,0]=4 441 B6R1.2 ClC1CCCC1 098808 [0,0,0,1,0,0|2,0,1]=4 442 B6R1.2 IC1CCCC1 097746 [0,0,0,1,0,0|2,0,1]=4 443 B6R1.2 NC1=NCCS1 018191 [0,0,0,1,0,0|2,0,0]=3 444 B6R1.2 NC1=NCCS1 995255 [0,0,0,1,0,0|2,0,0]=3 445 B6R1.2 NC1CCCC1 049405 [0,0,0,1,0,0|2,0,1]=4 446 B6R1.2 O=C1C=CCC1 049816 [0,0,0,1,0,0|1,0,1]=3 447 B6R1.2 O=C1C=CCO1 095003 [0,0,0,1,0,0|0,1,2]=4 448 B6R1.2 O=C1CCCC1 044205 [0,0,0,1,0,0|1,0,0]=2 449 B6R1.2 O=C1CCCN1 095374 [0,0,0,1,0,0|1,0,0]=2 450 B6R1.2 O=C1CCCN1 098215 [0,0,0,1,0,0|1,0,0]=2 451 B6R1.2 O=C1CCNC1 078709 [0,0,0,1,0,0|2,0,0]=3 452 B6R1.2 O=C1CCNN1 092652 [0,0,0,1,0,0|2,0,0]=3 453 B6R1.2 O=C1CCOC1 076836 [0,0,0,1,0,0|2,0,0]=3 454 B6R1.2 O=C1CCSC1 214765 [0,0,0,1,0,0|2,0,0]=3 455 B6R1.2 O=C1CNCN1 079854 [0,0,0,1,0,0|2,0,0]=3 456 B6R1.2 O=C1CS[Ca]O1 095807 [0,0,0,1,0,0|2,1,0]=4 457 B6R1.2 O=C1NCCN1 078654 [0,0,0,1,0,0|2,0,0]=3 458 B6R1.2 O=C1NCCO1 216566 [0,0,0,1,0,0|1,1,0]=3 459 B6R1.2 O=C1NCCS1 215692 [0,0,0,1,0,0|1,0,0]=2 460 B6R1.2 O=C1OCCO1 094510 [0,0,0,1,0,0|1,1,0]=3 461 B6R1.2 O=S1CCCC1 001093 [0,0,0,1,0,0|2,0,0]=3 462 B6R1.2 OC1CCCC1 044840 [0,0,0,1,0,0|1,0,2]=4 463 B6R1.2 S=C1NCCN1 099092 [0,0,0,1,0,0|2,1,0]=4 464 B6R1.2 S=C1NCCS1 038194 [0,0,0,1,0,0|1,1,0]=3 465 B6R1.2 SC1CCCC1 075248 [0,0,0,1,0,0|1,1,1]=4 466 B6R1.10 CC1(N)CCC1 041889 [0,0,0,1,0,0|2,0,1]=4 467 B6R1.11 CC(=O)C1CC1 005112 [0,0,0,1,0,0|1,0,0]=2 468 B6R1.11 CC(N)C1CC1 095360 [0,0,0,1,0,0|2,0,1]=4 469 B6R1.11 CC(O)C1CC1 354573 [0,0,0,1,0,0|1,0,2]=4 470 B6R1.11 N=C(N)C1CC1 017190 [0,0,0,1,0,0|3,0,0]=4 471 B6R1.11 NC(=O)C1CC1 079247 [0,0,0,1,0,0|2,0,0]=3 472 B6R1.11 O=C(Cl)C1CC1 066721 [0,0,0,1,0,0|2,0,0]=3 473 B6R1.11 O=C(O)C1CC1 009113 [0,0,0,1,0,0|2,0,0]=3 474 B6R1.11 O=S([O-])C1CC1 024941 [0,0,0,1,0,0|3,0,0]=4 475 B3R0.1 C=CCBr BR1119 [2,0,0,0,0,0|1,0,1]=4 476 B3R0.1 C=CCC 098927 [2,0,0,0,0,0|0,0,1]=3 477 B3R0.1 C=CCCl 094723 [2,0,0,0,0,0|1,0,1]=4 478 B3R0.1 C=CCI 001263 [2,0,0,0,0,0|1,0,1]=4 479 B3R0.1 C=CCN 099131 [2,0,0,0,0,0|1,0,1]=4 480 B3R0.1 C=CCO 099676 [2,0,0,0,0,0|1,0,1]=4 481 B3R0.1 C=CCS 099583 [2,0,0,0,0,0|1,0,1]=4 482 B3R0.1 CC#CC 117205 [2,0,0,0,0,0|0,0,2]=4 483 B3R0.1 CCC#N 094907 [2,0,0,0,0,0|1,0,1]=4 484 B3R0.1 CCC=O 094974 [2,0,0,0,0,0|0,0,0]=2 485 B3R0.1 CCCBr BR1117 [2,0,0,0,0,0|1,0,1]=4 486 B3R0.1 CCCI 005438 [2,0,0,0,0,0|1,0,1]=4 487 B3R0.1 CCCN 101445 [2,0,0,0,0,0|1,0,1]=4 488 B3R0.1 CCCO 098913 [2,0,0,0,0,0|0,0,2]=4 489 B3R0.1 CCCO 102042 [2,0,0,0,0,0|0,0,2]=4 490 B3R0.1 CCCS 098010 [2,0,0,0,0,0|0,1,1]=4 491 B3R0.1 CCC[S-] 104640 [2,0,0,0,0,0|0,1,1]=4 492 B3R0.1 CCNC 044624 [2,0,0,0,0,0|1,0,0]=3 493 B3R0.1 CCON 092211 [2,0,0,0,0,0|1,1,0]=4 494 B3R0.1 CNC=O 098971 [2,0,0,0,0,0|1,0,0]=3 495 B3R0.1 CNNC 446438 [2,0,0,0,0,0|2,0,0]=4 496 B3R0.1 CNOC 023913 [2,0,0,0,0,0|1,1,0]=4 497 B3R0.1 COC=O 101914 [2,0,0,0,0,0|0,1,0]=3 498 B3R0.1 COCBr 005432 [2,0,0,0,0,0|1,1,0]=4 499 B3R0.1 CSC#N 002936 [2,0,0,0,0,0|1,0,1]=4 500 B3R0.1 CSCCl 075261 [2,0,0,0,0,0|1,0,0]=3 501 B3R0.1 CSSC 094878 [2,0,0,0,0,0|1,0,0]=3 502 B3R0.1 C\C=C/C 105248 [2,0,0,0,0,0|0,0,1]=3 503 B3R0.1 C\C=C\C 102601 [2,0,0,0,0,0|0,0,1]=3 504 B3R0.1 C\C=N\O 102319 [2,0,0,0,0,0|2,0,0]=4 505 B3R0.1 C\C=N\O 358241 [2,0,0,0,0,0|2,0,0]=4 506 B3R0.1 NNC=O 099623 [2,0,0,0,0,0|2,0,0]=4 507 B3R0.1 O=CC=O 094007 [2,0,0,0,0,0|1,0,1]=4 508 B3R0.1 O=CCCl 098847 [2,0,0,0,0,0|1,0,0]=3 509 B3R0.1 [2H]OCC 101892 [2,0,0,0,0,0|1,1,0]=4 510 B3R0.2 C=C(C)Br 098357 [2,0,0,0,0,0|1,0,1]=4 511 B3R0.2 C=C(C)C 102139 [2,0,0,0,0,0|1,0,0]=3 512 B3R0.2 C=[N+](C)C 051246 [2,0,0,0,0,0|2,0,0]=4 513 B3R0.2 CC(=N)N 021800 [2,0,0,0,0,0|2,0,0]=4 514 B3R0.2 CC(=O)Br 003920 [2,0,0,0,0,0|1,0,0]=3 515 B3R0.2 CC(=O)Cl 094104 [2,0,0,0,0,0|1,0,0]=3 516 B3R0.2 CC(=O)O 035907 [2,0,0,0,0,0|0,1,0]=3 517 B3R0.2 CC(=O)O 043868 [2,0,0,0,0,0|0,1,0]=3 518 B3R0.2 CC(=O)O 044721 [2,0,0,0,0,0|0,1,0]=3 519 B3R0.2 CC(=O)O 101598 [2,0,0,0,0,0|0,1,0]=3 520 B3R0.2 CC(=O)O 104750 [2,0,0,0,0,0|0,1,0]=3 521 B3R0.2 CC(=O)O 106044 [2,0,0,0,0,0|0,1,0]=3 522 B3R0.2 CC(=O)O 106057 [2,0,0,0,0,0|0,1,0]=3 523 B3R0.2 CC(=O)O 106058 [2,0,0,0,0,0|0,1,0]=3 524 B3R0.2 CC(=O)O 106164 [2,0,0,0,0,0|0,1,0]=3 525 B3R0.2 CC(=O)S 094692 [2,0,0,0,0,0|0,0,0]=2 526 B3R0.2 CC(=O)[O-] 044838 [2,0,0,0,0,0|0,1,0]=3 527 B3R0.2 CC(=O)[O-] 050331 [2,0,0,0,0,0|0,1,0]=3 528 B3R0.2 CC(=O)[O-] 095373 [2,0,0,0,0,0|0,1,0]=3 529 B3R0.2 CC(=O)[O-] 095810 [2,0,0,0,0,0|0,1,0]=3 530 B3R0.2 CC(=O)[O-] 095811 [2,0,0,0,0,0|0,1,0]=3 531 B3R0.2 CC(=O)[O-] 095813 [2,0,0,0,0,0|0,1,0]=3 532 B3R0.2 CC(=O)[O-] 098592 [2,0,0,0,0,0|0,1,0]=3 533 B3R0.2 CC(=O)[O-] 098906 [2,0,0,0,0,0|0,1,0]=3 534 B3R0.2 CC(=O)[O-] 098951 [2,0,0,0,0,0|0,1,0]=3 535 B3R0.2 CC(=O)[O-] 099265 [2,0,0,0,0,0|0,1,0]=3 536 B3R0.2 CC(=O)[O-] 099279 [2,0,0,0,0,0|0,1,0]=3 537 B3R0.2 CC(=O)[O-] 099299 [2,0,0,0,0,0|0,1,0]=3 538 B3R0.2 CC(=O)[O-] 099359 [2,0,0,0,0,0|0,1,0]=3 539 B3R0.2 CC(=O)[O-] 099374 [2,0,0,0,0,0|0,1,0]=3 540 B3R0.2 CC(=O)[O-] 099561 [2,0,0,0,0,0|0,1,0]=3 541 B3R0.2 CC(=O)[O-] 099735 [2,0,0,0,0,0|0,1,0]=3 542 B3R0.2 CC(=O)[O-] 101990 [2,0,0,0,0,0|0,1,0]=3 543 B3R0.2 CC(=O)[O-] 102370 [2,0,0,0,0,0|0,1,0]=3 544 B3R0.2 CC(=O)[O-] 102576 [2,0,0,0,0,0|0,1,0]=3 545 B3R0.2 CC(=O)[O-] 102577 [2,0,0,0,0,0|0,1,0]=3 546 B3R0.2 CC(=O)[O-] 102751 [2,0,0,0,0,0|0,1,0]=3 547 B3R0.2 CC(=O)[O-] 102954 [2,0,0,0,0,0|0,1,0]=3 548 B3R0.2 CC(=O)[O-] 103004 [2,0,0,0,0,0|0,1,0]=3 549 B3R0.2 CC(=O)[O-] 103454 [2,0,0,0,0,0|0,1,0]=3 550 B3R0.2 CC(=O)[O-] 103547 [2,0,0,0,0,0|0,1,0]=3 551 B3R0.2 CC(=O)[O-] 103666 [2,0,0,0,0,0|0,1,0]=3 552 B3R0.2 CC(=O)[O-] 104120 [2,0,0,0,0,0|0,1,0]=3 553 B3R0.2 CC(=O)[O-] 104124 [2,0,0,0,0,0|0,1,0]=3 554 B3R0.2 CC(=O)[O-] 104255 [2,0,0,0,0,0|0,1,0]=3 555 B3R0.2 CC(=O)[O-] 104267 [2,0,0,0,0,0|0,1,0]=3 556 B3R0.2 CC(=O)[O-] 104268 [2,0,0,0,0,0|0,1,0]=3 557 B3R0.2 CC(=O)[O-] 104731 [2,0,0,0,0,0|0,1,0]=3 558 B3R0.2 CC(=O)[O-] 104732 [2,0,0,0,0,0|0,1,0]=3 559 B3R0.2 CC(=O)[O-] 104830 [2,0,0,0,0,0|0,1,0]=3 560 B3R0.2 CC(=O)[O-] 104834 [2,0,0,0,0,0|0,1,0]=3 561 B3R0.2 CC(=O)[O-] 106015 [2,0,0,0,0,0|0,1,0]=3 562 B3R0.2 CC(=O)[O-] 106936 [2,0,0,0,0,0|0,1,0]=3 563 B3R0.2 CC(=O)[O-] 449646 [2,0,0,0,0,0|0,1,0]=3 564 B3R0.2 CC(=O)[O-] 492414 [2,0,0,0,0,0|0,1,0]=3 565 B3R0.2 CC(=O)[O-] 492458 [2,0,0,0,0,0|0,1,0]=3 566 B3R0.2 CC(=O)[O-] 492460 [2,0,0,0,0,0|0,1,0]=3 567 B3R0.2 CC(=O)[O-] 493837 [2,0,0,0,0,0|0,1,0]=3 568 B3R0.2 CC(=O)[O-] 493847 [2,0,0,0,0,0|0,1,0]=3 569 B3R0.2 CC(=O)[O-] 494093 [2,0,0,0,0,0|0,1,0]=3 570 B3R0.2 CC(=O)[O-] 494137 [2,0,0,0,0,0|0,1,0]=3 571 B3R0.2 CC(=O)[O-] 494138 [2,0,0,0,0,0|0,1,0]=3 572 B3R0.2 CC(=O)[O-] 494390 [2,0,0,0,0,0|0,1,0]=3 573 B3R0.2 CC(=O)[S-] 050515 [2,0,0,0,0,0|0,0,1]=3 574 B3R0.2 CC(C)=O 035905 [2,0,0,0,0,0|0,0,0]=2 575 B3R0.2 CC(C)=O 050332 [2,0,0,0,0,0|0,0,0]=2 576 B3R0.2 CC(C)=O 099892 [2,0,0,0,0,0|0,0,0]=2 577 B3R0.2 CC(C)=O 102148 [2,0,0,0,0,0|0,0,0]=2 578 B3R0.2 CC(C)=O 102613 [2,0,0,0,0,0|0,0,0]=2 579 B3R0.2 CC(C)=O 103138 [2,0,0,0,0,0|0,0,0]=2 580 B3R0.2 CC(C)Br BR1118 [2,0,0,0,0,0|1,0,1]=4 581 B3R0.2 CC(C)Cl 438389 [2,0,0,0,0,0|1,0,1]=4 582 B3R0.2 CC(C)I 094561 [2,0,0,0,0,0|1,0,1]=4 583 B3R0.2 CC(C)N 046833 [2,0,0,0,0,0|1,0,1]=4 584 B3R0.2 CC(C)N 094589 [2,0,0,0,0,0|1,0,1]=4 585 B3R0.2 CC(C)N 102424 [2,0,0,0,0,0|1,0,1]=4 586 B3R0.2 CC(C)O 035913 [2,0,0,0,0,0|0,0,2]=4 587 B3R0.2 CC(C)O 098379 [2,0,0,0,0,0|0,0,2]=4 588 B3R0.2 CC(C)O 102166 [2,0,0,0,0,0|0,0,2]=4 589 B3R0.2 CC(C)O 102226 [2,0,0,0,0,0|0,0,2]=4 590 B3R0.2 CC(C)O 105811 [2,0,0,0,0,0|0,0,2]=4 591 B3R0.2 CC(C)S 098993 [2,0,0,0,0,0|0,1,1]=4 592 B3R0.2 CC(C)[O-] 098874 [2,0,0,0,0,0|0,0,2]=4 593 B3R0.2 CC(C)[O-] 099441 [2,0,0,0,0,0|0,0,2]=4 594 B3R0.2 CC(C)[S-] 103566 [2,0,0,0,0,0|0,1,1]=4 595 B3R0.2 CC(N)=O 044859 [2,0,0,0,0,0|1,0,0]=3 596 B3R0.2 CC(N)=S 012744 [2,0,0,0,0,0|1,0,1]=4 597 B3R0.2 CC(N)=S 099460 [2,0,0,0,0,0|1,0,1]=4 598 B3R0.2 CN(C)C 094483 [2,0,0,0,0,0|2,0,0]=4 599 B3R0.2 CN(C)C 099336 [2,0,0,0,0,0|2,0,0]=4 600 B3R0.2 CN(C)C 101873 [2,0,0,0,0,0|2,0,0]=4 601 B3R0.2 CN(C)C 102008 [2,0,0,0,0,0|2,0,0]=4 602 B3R0.2 CN(C)C 102395 [2,0,0,0,0,0|2,0,0]=4 603 B3R0.2 CN(C)C 102396 [2,0,0,0,0,0|2,0,0]=4 604 B3R0.2 CN(C)C 358045 [2,0,0,0,0,0|2,0,0]=4 605 B3R0.2 CN(C)N 245913 [2,0,0,0,0,0|2,0,0]=4 606 B3R0.2 CN(C)O 104141 [2,0,0,0,0,0|1,0,1]=4 607 B3R0.2 CP(C)C 104924 [2,0,0,0,0,0|2,0,0]=4 608 B3R0.2 CS(=O)[O-] 001284 [2,0,0,0,0,0|1,1,0]=4 609 B3R0.2 CS(C)=O 046777 [2,0,0,0,0,0|1,0,0]=3 610 B3R0.2 CS(C)=O 099368 [2,0,0,0,0,0|1,0,0]=3 611 B3R0.2 CS(C)=O 102741 [2,0,0,0,0,0|1,0,0]=3 612 B3R0.2 C[N+](=O)[O-] 099354 [2,0,0,0,0,0|1,1,0]=4 613 B3R0.2 C[N+](=O)[O-] 104857 [2,0,0,0,0,0|1,1,0]=4 614 B3R0.2 C[N+](=O)[O-] BR1297 [2,0,0,0,0,0|1,1,0]=4 615 B3R0.2 C[S+](C)C 175000 [2,0,0,0,0,0|2,0,0]=4 616 B3R0.2 C[SiH](C)Cl S06975 [2,0,0,0,0,0|1,1,0]=4 617 B3R0.2 NC(=O)[O-] 240898 [2,0,0,0,0,0|1,1,0]=4 618 B3R0.2 NC(N)=O 044699 [2,0,0,0,0,0|2,0,0]=4 619 B3R0.2 NC(N)=O 094887 [2,0,0,0,0,0|2,0,0]=4 620 B3R0.2 NC(N)=O 245966 [2,0,0,0,0,0|2,0,0]=4 621 B3R0.2 NC(N)=O M02656 [2,0,0,0,0,0|2,0,0]=4 622 B3R0.2 O=C(Cl)Cl 098039 [2,0,0,0,0,0|2,0,0]=4 623 B3R0.2 O=C(O)O 094746 [2,0,0,0,0,0|1,1,0]=4 624 B3R0.2 O=C(O)O 105338 [2,0,0,0,0,0|1,1,0]=4 625 B3R0.2 O=C(O)O 105407 [2,0,0,0,0,0|1,1,0]=4 626 B3R0.2 O=C([O-])O 044705 [2,0,0,0,0,0|1,1,0]=4 627 B3R0.2 O=C([O-])O 044759 [2,0,0,0,0,0|1,1,0]=4 628 B3R0.2 O=C([O-])O 095377 [2,0,0,0,0,0|1,1,0]=4 629 B3R0.2 O=C([O-])O 099274 [2,0,0,0,0,0|1,1,0]=4 630 B3R0.2 O=C([O-])O 099353 [2,0,0,0,0,0|1,1,0]=4 631 B3R0.2 O=C([O-])O 099941 [2,0,0,0,0,0|1,1,0]=4 632 B3R0.2 O=C([O-])O 101989 [2,0,0,0,0,0|1,1,0]=4 633 B3R0.2 O=C([O-])O 102030 [2,0,0,0,0,0|1,1,0]=4 634 B3R0.2 O=C([O-])O 102774 [2,0,0,0,0,0|1,1,0]=4 635 B3R0.2 O=C([O-])O 102942 [2,0,0,0,0,0|1,1,0]=4 636 B3R0.2 O=C([O-])O 104315 [2,0,0,0,0,0|1,1,0]=4 637 B3R0.2 O=C([O-])[O-] 024862 [2,0,0,0,0,0|1,1,0]=4 638 B3R0.2 O=C([O-])[O-] 044706 [2,0,0,0,0,0|1,1,0]=4 639 B3R0.2 O=C([O-])[O-] 044708 [2,0,0,0,0,0|1,1,0]=4 640 B3R0.2 O=C([O-])[O-] 050215 [2,0,0,0,0,0|1,1,0]=4 641 B3R0.2 O=C([O-])[O-] 094638 [2,0,0,0,0,0|1,1,0]=4 642 B3R0.2 O=C([O-])[O-] 095386 [2,0,0,0,0,0|1,1,0]=4 643 B3R0.2 O=C([O-])[O-] 097603 [2,0,0,0,0,0|1,1,0]=4 644 B3R0.2 O=C([O-])[O-] 097701 [2,0,0,0,0,0|1,1,0]=4 645 B3R0.2 O=C([O-])[O-] 098684 [2,0,0,0,0,0|1,1,0]=4 646 B3R0.2 O=C([O-])[O-] 099296 [2,0,0,0,0,0|1,1,0]=4 647 B3R0.2 O=C([O-])[O-] 099356 [2,0,0,0,0,0|1,1,0]=4 648 B3R0.2 O=C([O-])[O-] 099751 [2,0,0,0,0,0|1,1,0]=4 649 B3R0.2 O=C([O-])[O-] 099971 [2,0,0,0,0,0|1,1,0]=4 650 B3R0.2 O=C([O-])[O-] 101890 [2,0,0,0,0,0|1,1,0]=4 651 B3R0.2 O=C([O-])[O-] 101937 [2,0,0,0,0,0|1,1,0]=4 652 B3R0.2 O=C([O-])[O-] 102038 [2,0,0,0,0,0|1,1,0]=4 653 B3R0.2 O=C([O-])[O-] 102078 [2,0,0,0,0,0|1,1,0]=4 654 B3R0.2 O=C([O-])[O-] 102093 [2,0,0,0,0,0|1,1,0]=4 655 B3R0.2 O=C([O-])[O-] 102094 [2,0,0,0,0,0|1,1,0]=4 656 B3R0.2 O=C([O-])[O-] 102095 [2,0,0,0,0,0|1,1,0]=4 657 B3R0.2 O=C([O-])[O-] 102476 [2,0,0,0,0,0|1,1,0]=4 658 B3R0.2 O=C([O-])[O-] 102675 [2,0,0,0,0,0|1,1,0]=4 659 B3R0.2 O=C([O-])[O-] 102731 [2,0,0,0,0,0|1,1,0]=4 660 B3R0.2 O=C([O-])[O-] 102831 [2,0,0,0,0,0|1,1,0]=4 661 B3R0.2 O=C([O-])[O-] 102941 [2,0,0,0,0,0|1,1,0]=4 662 B3R0.2 O=C([O-])[O-] 103440 [2,0,0,0,0,0|1,1,0]=4 663 B3R0.2 O=C([O-])[O-] 103688 [2,0,0,0,0,0|1,1,0]=4 664 B3R0.2 O=C([O-])[O-] 103830 [2,0,0,0,0,0|1,1,0]=4 665 B3R0.2 O=C([O-])[O-] 104678 [2,0,0,0,0,0|1,1,0]=4 666 B3R0.2 O=C([O-])[O-] 245855 [2,0,0,0,0,0|1,1,0]=4 667 B3R0.2 O=C([O-])[O-] 245931 [2,0,0,0,0,0|1,1,0]=4 668 B5R0.3 C#CC(=O)OC 067148 [1,1,0,0,0,0|0,0,2]=4 669 B5R0.3 C=C(CCl)CCl 386371 [1,1,0,0,0,0|2,0,0]=4 670 B5R0.3 C=C(CO)CO 079496 [1,1,0,0,0,0|2,0,0]=4 671 B5R0.3 C=CC(=O)OC 520477 [1,1,0,0,0,0|0,0,2]=4 672 B5R0.3 CCC(=O)CBr 002514 [1,1,0,0,0,0|0,0,0]=2 673 B5R0.3 CCC(=O)CC 094591 [1,1,0,0,0,0|0,0,0]=2 674 B5R0.3 CCC(=O)NC 103047 [1,1,0,0,0,0|0,0,0]=2 675 B5R0.3 CCC(=O)NN 026652 [1,1,0,0,0,0|1,0,0]=3 676 B5R0.3 CCC(Br)CC 358240 [1,1,0,0,0,0|1,0,1]=4 677 B5R0.3 CCC(C)C=O 103622 [1,1,0,0,0,0|0,0,1]=3 678 B5R0.3 CCC(C)CC 098988 [1,1,0,0,0,0|1,0,1]=4 679 B5R0.3 CCC(C)CN 013636 [1,1,0,0,0,0|1,0,1]=4 680 B5R0.3 CCC(C)CO 358145 [1,1,0,0,0,0|0,0,2]=4 681 B5R0.3 CCC(C)NN 046283 [1,1,0,0,0,0|1,0,1]=4 682 B5R0.3 CCC(N)CC 094499 [1,1,0,0,0,0|1,0,1]=4 683 B5R0.3 CCC(N)CO 091481 [1,1,0,0,0,0|1,0,1]=4 684 B5R0.3 CCC(O)CC 358049 [1,1,0,0,0,0|0,0,2]=4 685 B5R0.3 CCC(O)CN 002496 [1,1,0,0,0,0|0,0,2]=4 686 B5R0.3 CCN(C)CC 493739 [1,1,0,0,0,0|2,0,0]=4 687 B5R0.3 CCN(O)CC 105777 [1,1,0,0,0,0|1,0,1]=4 688 B5R0.3 CCN(O)CC 129600 [1,1,0,0,0,0|1,0,1]=4 689 B5R0.3 CCS(=O)CC 094782 [1,1,0,0,0,0|1,0,0]=3 690 B5R0.3 CC[C@@H](N)CO 012703 [1,1,0,0,0,0|1,0,1]=4 691 B5R0.3 CC[C@H](C)CO 473128 [1,1,0,0,0,0|0,0,2]=4 692 B5R0.3 CC[C@H](N)CO 012704 [1,1,0,0,0,0|1,0,1]=4 693 B5R0.3 CC\C(C)=N\O 099127 [1,1,0,0,0,0|0,0,1]=3 694 B5R0.3 CNC(=O)CBr 043828 [1,1,0,0,0,0|1,0,0]=3 695 B5R0.3 CNC(=O)CCl 094091 [1,1,0,0,0,0|1,0,0]=3 696 B5R0.3 CNC(=O)CN 075035 [1,1,0,0,0,0|1,0,0]=3 697 B5R0.3 CNC(=O)NC 358273 [1,1,0,0,0,0|1,0,0]=3 698 B5R0.3 CNC(=S)NC 349139 [1,1,0,0,0,0|1,1,0]=4 699 B5R0.3 COC(=O)C#N 102552 [1,1,0,0,0,0|0,1,1]=4 700 B5R0.3 COC(=O)CBr 006774 [1,1,0,0,0,0|0,1,0]=3 701 B5R0.3 COC(=O)CCl 095344 [1,1,0,0,0,0|0,1,0]=3 702 B5R0.3 COC(=O)CI 103193 [1,1,0,0,0,0|0,1,0]=3 703 B5R0.3 COC(=O)CN M03021 [1,1,0,0,0,0|0,1,0]=3 704 B5R0.3 COC(=O)CO 227696 [1,1,0,0,0,0|0,1,0]=3 705 B5R0.3 COC(=O)CS 011917 [1,1,0,0,0,0|0,1,0]=3 706 B5R0.3 COC(=O)NN 094656 [1,1,0,0,0,0|1,1,0]=4 707 B5R0.3 COC(=O)OC 094559 [1,1,0,0,0,0|0,1,0]=3 708 B5R0.3 COC(=O)SCl 002587 [1,1,0,0,0,0|1,0,0]=3 709 B5R0.3 COS(=O)OC 094292 [1,1,0,0,0,0|1,1,0]=4 710 B5R0.3 CO[PH](=O)OC 098972 [1,1,0,0,0,0|1,1,0]=4 711 B5R0.3 C\C=C(/C)C=O 245796 [1,1,0,0,0,0|0,0,1]=3 712 B5R0.3 NCC(=O)CN 245676 [1,1,0,0,0,0|1,0,0]=3 713 B5R0.3 NNC(=O)CO 069267 [1,1,0,0,0,0|2,0,0]=4 714 B5R0.3 O=C(CCl)CCl 469912 [1,1,0,0,0,0|1,0,0]=3 715 B5R0.3 O=C(CO)CO 093516 [1,1,0,0,0,0|1,0,0]=3 716 B5R0.4 CCC(C)(C)Br 005914 [1,1,0,0,0,0|1,0,1]=4 717 B5R0.4 CCC(C)(C)N 102046 [1,1,0,0,0,0|1,0,1]=4 718 B5R0.4 CCC(C)(C)O 094937 [1,1,0,0,0,0|0,0,2]=4 719 B5R0.4 CCC(C)(C)O 094938 [1,1,0,0,0,0|0,0,2]=4 720 B5R0.4 CCC(C)(C)O 098852 [1,1,0,0,0,0|0,0,2]=4 721 B5R0.4 CCC(C)(C)[O-] 094579 [1,1,0,0,0,0|0,0,2]=4 722 B5R0.4 CCC(C)(C)[O-] 104770 [1,1,0,0,0,0|0,0,2]=4 723 B5R0.4 CCC(C)(C)[O-] 105003 [1,1,0,0,0,0|0,0,2]=4 724 B5R0.4 CCS(=O)(=O)Cl 044992 [1,1,0,0,0,0|2,0,0]=4 725 B5R0.4 CCS(N)(=O)=O 022080 [1,1,0,0,0,0|2,0,0]=4 726 B5R0.4 CC[Si](C)(C)Cl 005276 [1,1,0,0,0,0|1,1,0]=4 727 B5R0.4 CNS(C)(=O)=O 078577 [1,1,0,0,0,0|2,0,0]=4 728 B5R0.5 C=C(C)C(=C)C 104405 [1,1,0,0,0,0|1,0,1]=4 729 B5R0.5 C=C(C)C(=O)Cl 152770 [1,1,0,0,0,0|1,0,1]=4 730 B5R0.5 C=C(C)C(=O)O 098014 [1,1,0,0,0,0|1,0,1]=4 731 B5R0.5 C=C(C)C(=O)[O-] 461655 [1,1,0,0,0,0|1,0,1]=4 732 B5R0.5 C=C(C)C(C)=O 155400 [1,1,0,0,0,0|0,0,1]=3 733 B5R0.5 C=C(C)C(N)=O 098987 [1,1,0,0,0,0|1,0,1]=4 734 B5R0.5 CC(=O)C(=O)O 168700 [1,1,0,0,0,0|1,0,1]=4 735 B5R0.5 CC(=O)C(=O)[O-] 169520 [1,1,0,0,0,0|1,0,1]=4 736 B5R0.5 CC(=O)C(C)=O 099488 [1,1,0,0,0,0|0,0,1]=3 737 B5R0.5 CC(=O)C(C)C 098965 [1,1,0,0,0,0|0,0,0]=2 738 B5R0.5 CC(=O)C(C)Cl 520345 [1,1,0,0,0,0|0,0,0]=2 739 B5R0.5 CC(=O)C(C)O 449308 [1,1,0,0,0,0|0,0,0]=2 740 B5R0.5 CC(=O)C(F)F 025165 [1,1,0,0,0,0|1,0,0]=3 741 B5R0.5 CC(=O)N(C)C 044923 [1,1,0,0,0,0|1,0,0]=3 742 B5R0.5 CC(=O)N(C)C 103880 [1,1,0,0,0,0|1,0,0]=3 743 B5R0.5 CC(=O)N(C)C 105121 [1,1,0,0,0,0|1,0,0]=3 744 B5R0.5 CC(Br)C(=O)Br BR1124 [1,1,0,0,0,0|1,0,0]=3 745 B5R0.5 CC(Br)C(=O)O BR1120 [1,1,0,0,0,0|1,0,0]=3 746 B5R0.5 CC(Br)C(C)Br 001074 [1,1,0,0,0,0|1,0,1]=4 747 B5R0.5 CC(Br)C(N)=O 222852 [1,1,0,0,0,0|1,0,0]=3 748 B5R0.5 CC(C)=C(C)C 358426 [1,1,0,0,0,0|1,0,1]=4 749 B5R0.5 CC(C)C(=N)N 017191 [1,1,0,0,0,0|2,0,0]=4 750 B5R0.5 CC(C)C(=O)Cl 005019 [1,1,0,0,0,0|1,0,0]=3 751 B5R0.5 CC(C)C(=O)O 099395 [1,1,0,0,0,0|1,0,0]=3 752 B5R0.5 CC(C)C(C)C 101556 [1,1,0,0,0,0|1,0,1]=4 753 B5R0.5 CC(C)C(N)=O 091536 [1,1,0,0,0,0|1,0,0]=3 754 B5R0.5 CC(C)N(C)C 103843 [1,1,0,0,0,0|2,0,0]=4 755 B5R0.5 CC(C)S(=O)[O-] 035599 [1,1,0,0,0,0|2,0,0]=4 756 B5R0.5 CC(C)[N+](=O)[O-] 098355 [1,1,0,0,0,0|2,0,0]=4 757 B5R0.5 CC(Cl)C(=O)Cl 099576 [1,1,0,0,0,0|1,0,0]=3 758 B5R0.5 CC(Cl)C(=O)O 240303 [1,1,0,0,0,0|1,0,0]=3 759 B5R0.5 CC(Cl)C(N)=O 369655 [1,1,0,0,0,0|1,0,0]=3 760 B5R0.5 CC(F)C(=O)O 024847 [1,1,0,0,0,0|1,0,0]=3 761 B5R0.5 CC(N)C(=O)O 094978 [1,1,0,0,0,0|1,0,0]=3 762 B5R0.5 CC(O)C(=O)O 995229 [1,1,0,0,0,0|1,0,0]=3 763 B5R0.5 CC(O)C(=O)[O-] 492494 [1,1,0,0,0,0|1,0,0]=3 764 B5R0.5 CC(O)C(N)=O 341750 [1,1,0,0,0,0|1,0,0]=3 765 B5R0.5 CC(S)C(=O)O 520330 [1,1,0,0,0,0|1,0,0]=3 766 B5R0.5 CN(C)C(=O)Cl 051099 [1,1,0,0,0,0|2,0,0]=4 767 B5R0.5 CN(C)C(N)=O 342088 [1,1,0,0,0,0|2,0,0]=4 768 B5R0.5 C[C@@H](Cl)C(=O)O 019482 [1,1,0,0,0,0|1,0,0]=3 769 B5R0.5 C[C@@H](N)C(=O)O M02932 [1,1,0,0,0,0|1,0,0]=3 770 B5R0.5 C[C@@H](N)C(N)=O 076723 [1,1,0,0,0,0|1,0,0]=3 771 B5R0.5 C[C@@H](O)C(=O)O 208594 [1,1,0,0,0,0|1,0,0]=3 772 B5R0.5 C[C@@H](O)C(=O)[O-] 103154 [1,1,0,0,0,0|1,0,0]=3 773 B5R0.5 C[C@@H](O)C(N)=O 094768 [1,1,0,0,0,0|1,0,0]=3 774 B5R0.5 C[C@@H](O)[C@@H](C)O 044769 [1,1,0,0,0,0|0,0,2]=4 775 B5R0.5 C[C@H](Br)C(=O)O 094052 [1,1,0,0,0,0|1,0,0]=3 776 B5R0.5 C[C@H](Br)[C@@H](C)Br 099264 [1,1,0,0,0,0|1,0,1]=4 777 B5R0.5 C[C@H](Cl)C(=O)O 216004 [1,1,0,0,0,0|1,0,0]=3 778 B5R0.5 C[C@H](N)C(=O)O 080323 [1,1,0,0,0,0|1,0,0]=3 779 B5R0.5 C[C@H](N)C(N)=O 092189 [1,1,0,0,0,0|1,0,0]=3 780 B5R0.5 C[C@H](O)C(=O)O 103316 [1,1,0,0,0,0|1,0,0]=3 781 B5R0.5 C[C@H](O)C(=O)[O-] 448793 [1,1,0,0,0,0|1,0,0]=3 782 B5R0.5 C[C@H](O)[C@@H](C)O 104082 [1,1,0,0,0,0|0,0,2]=4 783 B5R0.5 C[C@H](O)[C@H](C)O 044770 [1,1,0,0,0,0|0,0,2]=4 784 B5R0.5 NC(=O)C(F)Cl 038384 [1,1,0,0,0,0|2,0,0]=4 785 B5R0.5 NC(=O)C(F)F 033531 [1,1,0,0,0,0|2,0,0]=4 786 B5R0.5 O=C(Cl)C(Cl)Cl 099125 [1,1,0,0,0,0|2,0,0]=4 787 B5R0.5 O=C(O)C(Br)Br 103029 [1,1,0,0,0,0|2,0,0]=4 788 B5R0.5 O=C(O)C(Cl)Cl 095059 [1,1,0,0,0,0|2,0,0]=4 789 B5R0.5 O=C(O)C(F)F 001231 [1,1,0,0,0,0|2,0,0]=4 790 B5R0.5 O=C(O)C(F)F 019092 [1,1,0,0,0,0|2,0,0]=4 791 B5R0.5 O=C(O)C(O)O 143700 [1,1,0,0,0,0|2,0,0]=4 792 B5R0.5 O=C([O-])C(Cl)Cl 462644 [1,1,0,0,0,0|2,0,0]=4 793 B5R0.5 O=C([O-])C(F)F 010327 [1,1,0,0,0,0|2,0,0]=4 794 B5R0.2 BrC\C=C\CBr 094548 [1,1,0,0,0,0|2,0,0]=4 795 B5R0.2 C=CCCCBr 013455 [1,1,0,0,0,0|1,0,1]=4 796 B5R0.2 C=CCCCC 098845 [1,1,0,0,0,0|1,0,1]=4 797 B5R0.2 C=CCCCI 103315 [1,1,0,0,0,0|1,0,1]=4 798 B5R0.2 C=CCCCO 164000 [1,1,0,0,0,0|1,0,1]=4 799 B5R0.2 C=CCCNC 104185 [1,1,0,0,0,0|1,0,1]=4 800 B5R0.2 C=CCNC=O 065354 [1,1,0,0,0,0|1,0,1]=4 801 B5R0.2 C=COCCO 463043 [1,1,0,0,0,0|0,1,1]=4 802 B5R0.2 CC#CCCC 145600 [1,1,0,0,0,0|1,0,1]=4 803 B5R0.2 CC#CCCO 010354 [1,1,0,0,0,0|1,0,1]=4 804 B5R0.2 CCC#CCBr 009064 [1,1,0,0,0,0|1,0,1]=4 805 B5R0.2 CCC#CCO 164400 [1,1,0,0,0,0|1,0,1]=4 806 B5R0.2 CCCCC=O 094967 [1,1,0,0,0,0|1,0,0]=3 807 B5R0.2 CCCCC=O 106333 [1,1,0,0,0,0|1,0,0]=3 808 B5R0.2 CCCCCBr 098930 [1,1,0,0,0,0|1,0,1]=4 809 B5R0.2 CCCCCC 094916 [1,1,0,0,0,0|1,0,1]=4 810 B5R0.2 CCCCCC 099897 [1,1,0,0,0,0|1,0,1]=4 811 B5R0.2 CCCCCC 102229 [1,1,0,0,0,0|1,0,1]=4 812 B5R0.2 CCCCCC 102412 [1,1,0,0,0,0|1,0,1]=4 813 B5R0.2 CCCCCI 349297 [1,1,0,0,0,0|1,0,1]=4 814 B5R0.2 CCCCCN 099587 [1,1,0,0,0,0|1,0,1]=4 815 B5R0.2 CCCCCO 101568 [1,1,0,0,0,0|1,0,1]=4 816 B5R0.2 CCCCNC 098817 [1,1,0,0,0,0|1,0,1]=4 817 B5R0.2 CCCNCC 099259 [1,1,0,0,0,0|1,0,1]=4 818 B5R0.2 CCC\C=N\O 099610 [1,1,0,0,0,0|1,0,1]=4 819 B5R0.2 CCNCCO 094818 [1,1,0,0,0,0|1,0,1]=4 820 B5R0.2 CCOCCBr 001004 [1,1,0,0,0,0|0,1,1]=4 821 B5R0.2 CCOCCN 374636 [1,1,0,0,0,0|0,1,1]=4 822 B5R0.2 CCOCCO 037421 [1,1,0,0,0,0|0,1,1]=4 823 B5R0.2 CCSCCCl 001741 [1,1,0,0,0,0|0,0,1]=3 824 B5R0.2 CCSCCN 390974 [1,1,0,0,0,0|0,0,1]=3 825 B5R0.2 CCSCCO 002951 [1,1,0,0,0,0|0,0,1]=3 826 B5R0.2 CCSSCC 103992 [1,1,0,0,0,0|0,0,1]=3 827 B5R0.2 CC\C=C/CO 386381 [1,1,0,0,0,0|1,0,0]=3 828 B5R0.2 CC\C=C\C=O 466581 [1,1,0,0,0,0|1,0,0]=3 829 B5R0.2 CC\C=C\CBr 106316 [1,1,0,0,0,0|1,0,0]=3 830 B5R0.2 CNCCCN 300980 [1,1,0,0,0,0|2,0,0]=4 831 B5R0.2 CNCCCO 239815 [1,1,0,0,0,0|2,0,0]=4 832 B5R0.2 CNCCNC 043850 [1,1,0,0,0,0|2,0,0]=4 833 B5R0.2 CNCCOC 011340 [1,1,0,0,0,0|2,0,0]=4 834 B5R0.2 COCCCBr 043598 [1,1,0,0,0,0|2,0,0]=4 835 B5R0.2 COCCCN 242837 [1,1,0,0,0,0|2,0,0]=4 836 B5R0.2 COCCCO 078666 [1,1,0,0,0,0|2,0,0]=4 837 B5R0.2 COCCOC 098861 [1,1,0,0,0,0|2,0,0]=4 838 B5R0.2 COCCOC 106693 [1,1,0,0,0,0|2,0,0]=4 839 B5R0.2 CSCCC=O 103329 [1,1,0,0,0,0|1,0,0]=3 840 B5R0.2 CSCCCN 103438 [1,1,0,0,0,0|2,0,0]=4 841 B5R0.2 CSCCCO 069294 [1,1,0,0,0,0|2,0,0]=4 842 B5R0.2 C\C=C\C=C\C 046824 [1,1,0,0,0,0|1,0,1]=4 843 B5R0.2 C\C=C\OCC 103024 [1,1,0,0,0,0|0,1,0]=3 844 B5R0.2 ClC\C=C/CCl 094794 [1,1,0,0,0,0|2,0,0]=4 845 B5R0.2 O=C=NCCBr 098505 [1,1,0,0,0,0|1,0,1]=4 846 B5R0.2 O=C=NCCCl 067807 [1,1,0,0,0,0|1,0,1]=4 847 B5R0.2 OC\C=C/CO 095819 [1,1,0,0,0,0|2,0,0]=4 848 B5R0.2 OC\C=C/CO 098937 [1,1,0,0,0,0|2,0,0]=4 849 B7R0.2 C=CC(=O)NC(C)C 046835 [0,2,0,0,0,0|1,0,1]=4 850 B7R0.2 CC(C)NC(=O)CCl 307988 [0,2,0,0,0,0|1,0,0]=3 851 B7R0.2 CCC(C)CC(=O)O 002768 [0,2,0,0,0,0|2,0,0]=4 852 B7R0.2 CCC(C)NC(C)=O 103813 [0,2,0,0,0,0|1,0,0]=3 853 B7R0.2 CNC(=O)CC(C)=O 240984 [0,2,0,0,0,0|1,0,1]=4 854 B7R0.2 COC(=O)C=C(C)C 358413 [0,2,0,0,0,0|1,0,1]=4 855 B7R0.2 COC(=O)CC(C)=O 094497 [0,2,0,0,0,0|1,0,1]=4 856 B7R0.2 COC(=O)CC(C)C 046834 [0,2,0,0,0,0|1,0,0]=3 857 B7R0.2 COC(=O)CN(C)C 099922 [0,2,0,0,0,0|2,0,0]=4 858 B7R0.2 COC(=O)C[C@@H](C)O 079225 [0,2,0,0,0,0|1,0,0]=3 859 B7R0.2 COC(=O)C[C@H](C)O 208678 [0,2,0,0,0,0|1,0,0]=3 860 B7R0.2 COC(=O)\C=C(\C)N 078507 [0,2,0,0,0,0|1,0,1]=4 861 B7R0.2 NCC(O)CC(=O)O 093269 [0,2,0,0,0,0|2,0,0]=4 862 B7R0.3 C=CC(=O)NCCN 362041 [0,2,0,0,0,0|1,0,1]=4 863 B7R0.3 C=CCCC(=O)OC 540759 [0,2,0,0,0,0|1,0,1]=4 864 B7R0.3 C=CCOC(=O)OC 067150 [0,2,0,0,0,0|0,1,1]=4 865 B7R0.3 CCC(=O)NCCO 402339 [0,2,0,0,0,0|1,0,0]=3 866 B7R0.3 CCCCC(=O)OC 103432 [0,2,0,0,0,0|1,0,0]=3 867 B7R0.3 CCCC\C(C)=N\O 104327 [0,2,0,0,0,0|1,0,1]=4 868 B7R0.3 CCSCC(=O)OC 094646 [0,2,0,0,0,0|0,0,0]=2 869 B7R0.3 CC\C=C\C(=O)OC 011184 [0,2,0,0,0,0|1,0,0]=3 870 B7R0.3 COC(=O)CCC#N 156000 [0,2,0,0,0,0|1,0,1]=4 871 B7R0.3 COC(=O)CCCBr 214657 [0,2,0,0,0,0|1,0,0]=3 872 B7R0.3 COC(=O)CCCCl 386752 [0,2,0,0,0,0|1,0,0]=3 873 B7R0.3 COC(=O)CCCI 336691 [0,2,0,0,0,0|1,0,0]=3 874 B7R0.3 COC(=O)CCCN 009954 [0,2,0,0,0,0|1,0,0]=3 875 B7R0.3 COC(=O)\C=C\CBr 049963 [0,2,0,0,0,0|1,0,1]=4 876 B7R0.3 COCCC(=O)NN 019318 [0,2,0,0,0,0|2,0,0]=4 877 B7R0.3 COCCC(=O)OC 349308 [0,2,0,0,0,0|1,0,0]=3 878 B7R0.3 CO\C=C\C(=O)OC 208663 [0,2,0,0,0,0|1,0,1]=4 879 B7R0.3 C\C=C\CC(=O)OC 099391 [0,2,0,0,0,0|1,0,1]=4 880 B7R0.3 NNC(=O)CCCO 368041 [0,2,0,0,0,0|2,0,0]=4 881 B7R0.5 C(F)(Br)C(=O)OCC 003215 [0,2,0,0,0,0|0,1,0]=3 882 B7R0.5 C(F)(Cl)C(=O)OCC 003216 [0,2,0,0,0,0|0,1,0]=3 883 B7R0.5 C(F)(F)C(=O)OCC 003219 [0,2,0,0,0,0|0,1,0]=3 884 B7R0.5 C=C(C)C(=O)OCC 098938 [0,2,0,0,0,0|0,1,0]=3 885 B7R0.5 CC(C)C(=O)OCCl 424728 [0,2,0,0,0,0|1,1,0]=4 886 B7R0.5 CCCC(=O)C(C)=O 099591 [0,2,0,0,0,0|1,0,0]=3 887 B7R0.5 CCCC(Br)C(=O)O 114500 [0,2,0,0,0,0|2,0,0]=4 888 B7R0.5 CCCC(C)C(=O)Cl 014675 [0,2,0,0,0,0|1,0,1]=4 889 B7R0.5 CCCC(C)C(=O)O 239960 [0,2,0,0,0,0|1,0,1]=4 890 B7R0.5 CCCC(C)C(N)=O 103248 [0,2,0,0,0,0|1,0,1]=4 891 B7R0.5 CCCC(N)C(=O)O 044733 [0,2,0,0,0,0|2,0,0]=4 892 B7R0.5 CCC[C@@H](N)C(=O)O 044736 [0,2,0,0,0,0|2,0,0]=4 893 B7R0.5 CCC[C@H](N)C(=O)O 036432 [0,2,0,0,0,0|2,0,0]=4 894 B7R0.5 CCOC(=O)C(=O)Cl 024489 [0,2,0,0,0,0|0,1,1]=4 895 B7R0.5 CCOC(=O)C(C)=O 033125 [0,2,0,0,0,0|0,1,0]=3 896 B7R0.5 CCOC(=O)C(C)Br 006095 [0,2,0,0,0,0|0,1,0]=3 897 B7R0.5 CCOC(=O)C(C)C 094936 [0,2,0,0,0,0|0,1,0]=3 898 B7R0.5 CCOC(=O)C(C)Cl 098895 [0,2,0,0,0,0|0,1,0]=3 899 B7R0.5 CCOC(=O)C(C)F 038173 [0,2,0,0,0,0|0,1,0]=3 900 B7R0.5 CCOC(=O)C(C)N 003681 [0,2,0,0,0,0|0,1,0]=3 901 B7R0.5 CCOC(=O)C(C)S 101529 [0,2,0,0,0,0|0,1,0]=3 902 B7R0.5 CCOC(=O)C(F)I 009177 [0,2,0,0,0,0|0,1,0]=3 903 B7R0.5 CCOC(=O)C(N)=O 221464 [0,2,0,0,0,0|0,1,1]=4 904 B7R0.5 CCOC(=O)C(N)=S 078641 [0,2,0,0,0,0|0,1,1]=4 905 B7R0.5 CCOC(=O)[C@H](C)N 003682 [0,2,0,0,0,0|0,1,0]=3 906 B7R0.5 CCOC(=O)[C@H](C)O 095008 [0,2,0,0,0,0|0,1,0]=3 907 B7R0.5 CC\C=C(/C)C(=O)O 002778 [0,2,0,0,0,0|1,0,0]=3 908 B7R0.5 CC\C=C(/C)C(=O)O 102663 [0,2,0,0,0,0|1,0,0]=3 909 B7R0.5 CN(C)C(=O)CCCl 310539 [0,2,0,0,0,0|2,0,0]=4 910 B7R0.5 COC[C@@H](N)C(=O)O 079034 [0,2,0,0,0,0|2,0,0]=4 911 B7R0.5 COC[C@H](N)C(=O)O 093724 [0,2,0,0,0,0|2,0,0]=4 912 B7R0.5 CSC[C@H](N)C(=O)O 045340 [0,2,0,0,0,0|2,0,0]=4 913 B7R0.5 NCC[C@H](N)C(=O)O 493318 [0,2,0,0,0,0|2,0,0]=4 914 B7R0.5 NCC[C@H](O)C(=O)O 011347 [0,2,0,0,0,0|2,0,0]=4 915 B7R0.5 N[C@@H](CCO)C(=O)O 040037 [0,2,0,0,0,0|2,0,0]=4 916 B7R0.7 C=COC(=O)CCC 005032 [0,2,0,0,0,0|1,0,1]=4 917 B7R0.7 CC#CC(=O)OCC 095163 [0,2,0,0,0,0|0,1,0]=3 918 B7R0.7 CCNC(=O)CC#N 069313 [0,2,0,0,0,0|1,0,0]=3 919 B7R0.7 CCNC(=O)OCC 106284 [0,2,0,0,0,0|0,1,0]=3 920 B7R0.7 CCNC(=S)NCC 098974 [0,2,0,0,0,0|1,1,0]=4 921 B7R0.7 CCOC(=O)C=[N+]=[N-] 520479 [0,2,0,0,0,0|0,1,1]=4 922 B7R0.7 CCOC(=O)CC#N 022111 [0,2,0,0,0,0|0,1,0]=3 923 B7R0.7 CCOC(=O)CCBr 225998 [0,2,0,0,0,0|0,1,0]=3 924 B7R0.7 CCOC(=O)CCI 078702 [0,2,0,0,0,0|0,1,0]=3 925 B7R0.7 CCOC(=O)CCN 002479 [0,2,0,0,0,0|0,1,0]=3 926 B7R0.7 CCOC(=O)CNC 221430 [0,2,0,0,0,0|0,1,0]=3 927 B7R0.7 CCOC(=O)CNN 067177 [0,2,0,0,0,0|0,1,0]=3 928 B7R0.7 CCOC(=O)COC 013938 [0,2,0,0,0,0|0,1,0]=3 929 B7R0.7 CCOC(=O)CSC 449224 [0,2,0,0,0,0|0,1,0]=3 930 B7R0.7 CCOC(=O)N=C=S 002560 [0,2,0,0,0,0|0,1,1]=4 931 B7R0.7 CCOC(=O)OCC 094694 [0,2,0,0,0,0|0,1,0]=3 932 B7R0.7 CCOS(=O)OCC 099079 [0,2,0,0,0,0|1,1,0]=4 933 B7R0.7 CCO[PH](=O)OCC 094551 [0,2,0,0,0,0|1,1,0]=4 934 B7R0.7 CCO\C(C)=N\C#N 044784 [0,2,0,0,0,0|1,1,0]=4 935 B7R0.7 C\C=C\C(=O)OCC 098555 [0,2,0,0,0,0|0,1,0]=3 936 B7R0.7 [C-]#[N+]CC(=O)OCC 358365 [0,2,0,0,0,0|0,1,0]=3 937 B7R0.10 C=C(CBr)C(=O)OC 092639 [0,2,0,0,0,0|2,0,0]=4 938 B7R0.10 C=C(CO)C(=O)OC 092849 [0,2,0,0,0,0|2,0,0]=4 939 B7R0.10 CCC(=O)C(=O)CC 464571 [0,2,0,0,0,0|1,0,0]=3 940 B7R0.10 CCC(=O)N(C)OC 306492 [0,2,0,0,0,0|2,0,0]=4 941 B7R0.10 CCC(Br)C(=O)OC 006777 [0,2,0,0,0,0|1,0,0]=3 942 B7R0.10 CCC(C)C(=O)NC 102997 [0,2,0,0,0,0|1,0,0]=3 943 B7R0.10 CCC(C)C(=O)OC 035885 [0,2,0,0,0,0|1,0,0]=3 944 B7R0.10 CCC(N)C(=O)OC 241817 [0,2,0,0,0,0|1,0,0]=3 945 B7R0.10 CCN(C)C(=O)CBr 075255 [0,2,0,0,0,0|1,0,0]=3 946 B7R0.10 CCN(C)C(=O)CCl 080286 [0,2,0,0,0,0|1,0,0]=3 947 B7R0.10 COC(=O)C(=O)CBr 214615 [0,2,0,0,0,0|2,0,0]=4 948 B7R0.10 COC(=O)C(=O)OC 094727 [0,2,0,0,0,0|2,0,0]=4 949 B7R0.10 COC(=O)[C@@H](C)CBr 053967 [0,2,0,0,0,0|2,0,0]=4 950 B7R0.10 COC(=O)[C@@H](N)CCl 390254 [0,2,0,0,0,0|2,0,0]=4 951 B7R0.10 COC(=O)[C@@H](N)CO M03012 [0,2,0,0,0,0|2,0,0]=4 952 B7R0.10 COC(=O)[C@@H](N)CS 045338 [0,2,0,0,0,0|2,0,0]=4 953 B7R0.10 COC(=O)[C@@H](O)CO 078180 [0,2,0,0,0,0|2,0,0]=4 954 B7R0.10 COC(=O)[C@H](C)CBr 104234 [0,2,0,0,0,0|2,0,0]=4 955 B7R0.10 COC(=O)[C@H](N)CO 045371 [0,2,0,0,0,0|2,0,0]=4 956 B7R0.10 CON(C)C(=O)CCl 230712 [0,2,0,0,0,0|2,0,0]=4 957 B7R0.10 C\C=C(/C)C(=O)OC 099352 [0,2,0,0,0,0|1,0,1]=4 958 B7R0.10 O=C(CBr)C(=O)CBr 240795 [0,2,0,0,0,0|2,0,0]=4 959 B7R0.9 C=C(C)CC(C)(C)C 099019 [0,2,0,0,0,0|2,0,0]=4 960 B7R0.9 CC(=O)CS(C)(=O)=O 003502 [0,2,0,0,0,0|2,0,0]=4 961 B7R0.9 CC(=O)NC(C)(C)C 342025 [0,2,0,0,0,0|1,0,0]=3 962 B7R0.9 CC(=O)OC(C)(C)C 094033 [0,2,0,0,0,0|0,1,0]=3 963 B7R0.9 CC(=O)O[Si](C)(C)C S00009 [0,2,0,0,0,0|0,2,0]=4 964 B7R0.9 CC(C)(C)CC(=O)Cl 049750 [0,2,0,0,0,0|2,0,0]=4 965 B7R0.9 CC(C)(C)CC(=O)O 078718 [0,2,0,0,0,0|2,0,0]=4 966 B7R0.9 CC(C)(C)CC(N)=O 102508 [0,2,0,0,0,0|2,0,0]=4 967 B7R0.9 CC(C)(C)NC(N)=O 342232 [0,2,0,0,0,0|2,0,0]=4 968 B7R0.9 CC(C)(C)OC(N)=O 043378 [0,2,0,0,0,0|1,1,0]=4 969 B7R0.9 CC(C)(N)CC(=O)O 023437 [0,2,0,0,0,0|2,0,0]=4 970 B7R0.9 CC(C)OS(C)(=O)=O 318154 [0,2,0,0,0,0|1,1,0]=4 971 B7R0.16 CC(=O)C(C)C(C)=O 520882 [0,2,0,0,0,0|1,0,1]=4 972 B7R0.16 CC(=O)C(Cl)C(C)=O 095830 [0,2,0,0,0,0|1,0,1]=4 973 B7R0.16 CC(=O)N(C)C(C)=O 069879 [0,2,0,0,0,0|1,0,1]=4 974 B7R0.16 CC(C)C(Br)C(=O)O 003401 [0,2,0,0,0,0|2,0,0]=4 975 B7R0.16 CC(C)C(N)C(=O)O 097622 [0,2,0,0,0,0|2,0,0]=4 976 B7R0.16 CC(C)C(O)C(=O)O 336693 [0,2,0,0,0,0|2,0,0]=4 977 B7R0.16 CC(C)[C@@H](N)C(=O)O 011910 [0,2,0,0,0,0|2,0,0]=4 978 B7R0.16 CC(C)[C@H](Br)C(=O)O 094133 [0,2,0,0,0,0|2,0,0]=4 979 B7R0.16 CC(C)[C@H](N)C(=O)O M02950 [0,2,0,0,0,0|2,0,0]=4 980 B7R0.16 CC(C)[C@H](N)C(N)=O M03135 [0,2,0,0,0,0|2,0,0]=4 981 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 093733 [0,2,0,0,0,0|2,0,0]=4 982 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 104129 [0,2,0,0,0,0|2,0,0]=4 983 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O M02962 [0,2,0,0,0,0|2,0,0]=4 984 B7R0.13 CCC(C)(C)C(=O)O 035602 [0,2,0,0,0,0|2,0,0]=4 985 B7R0.13 CCC(C)(C)C(C)=O 005871 [0,2,0,0,0,0|1,0,0]=3 986 B7R0.13 CCC(F)(F)C(=O)O 024845 [0,2,0,0,0,0|2,0,0]=4 987 B7R0.13 CC[C@](C)(N)C(=O)O 208668 [0,2,0,0,0,0|2,0,0]=4 988 B7R0.15 CCC(CC)C(=O)Cl 099324 [0,2,0,0,0,0|2,0,0]=4 989 B7R0.15 CCC(CC)C(=O)O 237870 [0,2,0,0,0,0|2,0,0]=4 990 B7R0.15 CCC(CC)C(C)=O 046100 [0,2,0,0,0,0|1,0,0]=3 991 B7R0.15 CCC(CC)C(N)=O 103936 [0,2,0,0,0,0|2,0,0]=4 992 B7R0.15 CCN(CC)C(=O)Cl 050653 [0,2,0,0,0,0|2,0,0]=4 993 B7R0.15 CCN(CC)C(N)=O 337183 [0,2,0,0,0,0|2,0,0]=4 994 B7R0.15 COC(OC)C(C)=O 095023 [0,2,0,0,0,0|2,0,0]=4 995 B7R0.4 C#CCCCC(=O)O 145705 [0,2,0,0,0,0|2,0,0]=4 996 B7R0.4 C=CCCCC(=O)O 200742 [0,2,0,0,0,0|2,0,0]=4 997 B7R0.4 CC(=O)CCCC#N 095045 [0,2,0,0,0,0|1,0,0]=3 998 B7R0.4 CC(=O)CCCCCl 240931 [0,2,0,0,0,0|1,0,0]=3 999 B7R0.4 CC(=S)OCCCCl 102394 [0,2,0,0,0,0|0,2,0]=4 1000 B7R0.4 CCCC#CC(=O)O 145700 [0,2,0,0,0,0|2,0,0]=4 1001 B7R0.4 CCCCCC(=O)Cl 099325 [0,2,0,0,0,0|2,0,0]=4 1002 B7R0.4 CCCCCC(=O)O 066626 [0,2,0,0,0,0|2,0,0]=4 1003 B7R0.4 CCCCCC(C)=O 104307 [0,2,0,0,0,0|1,0,0]=3 1004 B7R0.4 CCCCNC(C)=O 103568 [0,2,0,0,0,0|1,0,0]=3 1005 B7R0.4 CCCCOC(C)=O 098991 [0,2,0,0,0,0|0,1,0]=3 1006 B7R0.4 CCCCOC(C)=O 102158 [0,2,0,0,0,0|0,1,0]=3 1007 B7R0.4 CCCSCC(=O)O 311047 [0,2,0,0,0,0|1,0,0]=3 1008 B7R0.4 CCC\C=C\C(=O)O 002797 [0,2,0,0,0,0|2,0,0]=4 1009 B7R0.4 COCCOC(=O)Cl 153600 [0,2,0,0,0,0|1,1,0]=4 1010 B7R0.4 NCCCCC(=O)O 226047 [0,2,0,0,0,0|2,0,0]=4 1011 B7R0.4 NCCOCC(=O)O 046334 [0,2,0,0,0,0|1,1,0]=4 1012 B7R0.4 O=C(Cl)CCCCBr 018324 [0,2,0,0,0,0|2,0,0]=4 1013 B7R0.4 O=C(Cl)CCCCCl 013899 [0,2,0,0,0,0|2,0,0]=4 1014 B7R0.4 O=C(O)CCCCBr 075266 [0,2,0,0,0,0|2,0,0]=4 1015 B7R0.6 CC(=O)CCC(=O)O 079484 [0,2,0,0,0,0|1,0,1]=4 1016 B7R0.6 CC(=O)CCC(C)=O 494125 [0,2,0,0,0,0|1,0,0]=3 1017 B7R0.6 CC(=O)CCC(C)C 106440 [0,2,0,0,0,0|1,0,0]=3 1018 B7R0.6 CC(=O)CCN(C)C 043224 [0,2,0,0,0,0|1,0,0]=3 1019 B7R0.6 CC(=O)NCC(=O)O 097974 [0,2,0,0,0,0|1,0,1]=4 1020 B7R0.6 CC(=O)NCC(C)C 103683 [0,2,0,0,0,0|1,0,0]=3 1021 B7R0.6 CC(=O)OCC(=O)O 228175 [0,2,0,0,0,0|0,1,1]=4 1022 B7R0.6 CC(=O)OCC(C)C 095004 [0,2,0,0,0,0|0,1,0]=3 1023 B7R0.6 CC(=O)\C=C\N(C)C 106573 [0,2,0,0,0,0|1,0,1]=4 1024 B7R0.6 CC(C)COC(=O)Cl 046752 [0,2,0,0,0,0|1,1,0]=4 1025 B7R0.6 CC(C)SCC(=O)O 311009 [0,2,0,0,0,0|1,0,0]=3 1026 B7R0.6 CC(C)SSC(C)C 099108 [0,2,0,0,0,0|1,0,1]=4 1027 B7R0.6 CC(C)\C=C\C(=O)O 011183 [0,2,0,0,0,0|2,0,0]=4 1028 B7R0.6 CN(C)CCC(=O)O 046799 [0,2,0,0,0,0|2,0,0]=4 1029 B7R0.8 CC(C)(C)SCCN 018341 [0,2,0,0,0,0|1,0,1]=4 1030 B7R0.8 CS(=O)(=O)CCCO 233969 [0,2,0,0,0,0|2,0,0]=4 1031 B7R0.8 CS(=O)(=O)OCCCl 099605 [0,2,0,0,0,0|1,1,0]=4 1032 B5R1.2 NC1CCC1 003370 [1,0,0,1,0,0|1,0,1]=4 1033 B5R1.2 O=C1CCC1 033237 [1,0,0,1,0,0|0,0,0]=2 1034 B5R1.2 O=C1CCO1 167800 [1,0,0,1,0,0|0,1,0]=3 1035 B5R1.2 O=C1COC1 044814 [1,0,0,1,0,0|1,0,0]=3 1036 B5R1.2 OC1CCC1 003407 [1,0,0,1,0,0|0,0,2]=4 1037 B5R1.3 CCC1CO1 046729 [1,0,0,1,0,0|0,0,2]=4 1038 B5R1.1 C1=CCCC1 520876 [1,0,0,1,0,0|1,0,0]=3 1039 B5R1.1 C1=CCNC1 013932 [1,0,0,1,0,0|2,0,0]=4 1040 B5R1.1 C1=COCC1 051266 [1,0,0,1,0,0|0,1,1]=4 1041 B5R1.1 C1CCNC1 080281 [1,0,0,1,0,0|1,0,1]=4 1042 B5R1.1 C1CCOC1 035914 [1,0,0,1,0,0|0,1,1]=4 1043 B5R1.1 C1CCOC1 044988 [1,0,0,1,0,0|0,1,1]=4 1044 B5R1.1 C1CCOC1 046883 [1,0,0,1,0,0|0,1,1]=4 1045 B5R1.1 C1CCOC1 099898 [1,0,0,1,0,0|0,1,1]=4 1046 B5R1.1 C1CCOC1 102161 [1,0,0,1,0,0|0,1,1]=4 1047 B5R1.1 C1CCOC1 103783 [1,0,0,1,0,0|0,1,1]=4 1048 B5R1.1 C1CCOC1 104382 [1,0,0,1,0,0|0,1,1]=4 1049 B5R1.1 C1CCOC1 105576 [1,0,0,1,0,0|0,1,1]=4 1050 B5R1.1 C1CCOC1 105743 [1,0,0,1,0,0|0,1,1]=4 1051 B5R1.1 C1CCSC1 019455 [1,0,0,1,0,0|0,0,1]=3 1052 B5R1.1 C1CSCN1 243195 [1,0,0,1,0,0|1,0,1]=4 1053 B7R1.1 C(=O)N1CCCC1 341911 [0,1,0,1,0,0|2,0,0]=4 1054 B7R1.1 CCC1=NCCO1 336609 [0,1,0,1,0,0|1,0,1]=4 1055 B7R1.1 COC1=NCCC1 008046 [0,1,0,1,0,0|1,0,1]=4 1056 B7R1.1 CSC1=NCCN1 013665 [0,1,0,1,0,0|2,0,0]=4 1057 B7R1.1 ClCC1=NCCN1 023424 [0,1,0,1,0,0|2,0,0]=4 1058 B7R1.1 N#CC1=CCCC1 069858 [0,1,0,1,0,0|2,0,0]=4 1059 B7R1.1 ON=C1CCCC1 227999 [0,1,0,1,0,0|1,0,1]=4 1060 B7R1.2 CC1=CC(=O)CC1 078668 [0,1,0,1,0,0|1,0,1]=4 1061 B7R1.2 CC1=CC=C(C)S1 002791 [0,1,0,1,0,0|1,0,1]=4 1062 B7R1.2 CC1=CCC(=O)O1 098871 [0,1,0,1,0,0|0,1,1]=4 1063 B7R1.2 CC1=CCC(=O)O1 107050 [0,1,0,1,0,0|0,1,1]=4 1064 B7R1.2 CC1=CSC(C)=N1 002760 [0,1,0,1,0,0|1,0,1]=4 1065 B7R1.2 CC1=NNC(=O)C1 077205 [0,1,0,1,0,0|1,0,1]=4 1066 B7R1.2 CC1CCC(=O)N1 232918 [0,1,0,1,0,0|1,0,0]=3 1067 B7R1.2 CC1CCC(=O)O1 243089 [0,1,0,1,0,0|0,1,0]=3 1068 B7R1.2 CC1COC(=O)O1 044922 [0,1,0,1,0,0|0,1,0]=3 1069 B7R1.2 C[C@@H]1COC(=O)O1 237778 [0,1,0,1,0,0|0,1,0]=3 1070 B7R1.2 O=C1CCC(=O)C1 024257 [0,1,0,1,0,0|1,0,1]=4 1071 B7R1.2 O=C1CCC(=O)N1 095806 [0,1,0,1,0,0|1,0,1]=4 1072 B7R1.2 O=C1CCC(=O)O1 339548 [0,1,0,1,0,0|0,1,1]=4 1073 B7R1.2 O=C1CSC(=O)N1 045213 [0,1,0,1,0,0|1,0,1]=4 1074 B7R1.2 O=C1C[C@@H](O)CN1 047704 [0,1,0,1,0,0|1,0,0]=3 1075 B7R1.2 O=C1C[C@H](O)CN1 093766 [0,1,0,1,0,0|1,0,0]=3 1076 B7R1.2 O=C1OCC(F)O1 098380 [0,1,0,1,0,0|1,1,0]=4 1077 B7R1.3 C=C1CCCCC1 238843 [0,1,0,1,0,0|2,0,0]=4 1078 B7R1.3 CC1=CCCCC1 098887 [0,1,0,1,0,0|2,0,0]=4 1079 B7R1.3 CC1SCCCS1 069036 [0,1,0,1,0,0|0,1,1]=4 1080 B7R1.3 N=C1CCCCN1 437867 [0,1,0,1,0,0|2,0,0]=4 1081 B7R1.3 O=C1C=CCCC1 040004 [0,1,0,1,0,0|1,0,0]=3 1082 B7R1.3 O=C1CCCCC1 046757 [0,1,0,1,0,0|1,0,0]=3 1083 B7R1.3 O=C1CCCCC1 101607 [0,1,0,1,0,0|1,0,0]=3 1084 B7R1.3 O=C1CCCCN1 043484 [0,1,0,1,0,0|1,0,0]=3 1085 B7R1.3 O=C1CCCCO1 448260 [0,1,0,1,0,0|0,1,0]=3 1086 B7R1.3 O=C1CCCNC1 078172 [0,1,0,1,0,0|1,0,0]=3 1087 B7R1.3 O=C1CCCOC1 070460 [0,1,0,1,0,0|0,1,0]=3 1088 B7R1.3 O=C1CCNCC1 008861 [0,1,0,1,0,0|1,0,0]=3 1089 B7R1.3 O=C1CCOCC1 036435 [0,1,0,1,0,0|1,0,0]=3 1090 B7R1.3 O=C1CCSCC1 069034 [0,1,0,1,0,0|1,0,0]=3 1091 B7R1.3 O=C1CNCCN1 031681 [0,1,0,1,0,0|1,0,0]=3 1092 B7R1.3 O=C1COCCN1 038232 [0,1,0,1,0,0|1,0,0]=3 1093 B7R1.3 O=C1COCCO1 242965 [0,1,0,1,0,0|0,1,0]=3 1094 B7R1.3 O=C1NCCCN1 208604 [0,1,0,1,0,0|1,0,0]=3 1095 B7R1.3 S=C1NCCCN1 018995 [0,1,0,1,0,0|1,1,0]=4 1096 B7R1.4 CC1CCCC1=O 217631 [0,1,0,1,0,0|1,0,0]=3 1097 B7R1.4 CC1CCOC1=O 092467 [0,1,0,1,0,0|0,1,0]=3 1098 B7R1.4 CN1CCCC1=O 035918 [0,1,0,1,0,0|1,0,0]=3 1099 B7R1.4 CN1CCCC1=O 041934 [0,1,0,1,0,0|1,0,0]=3 1100 B7R1.4 CN1CCCC1=S 180035 [0,1,0,1,0,0|1,1,0]=4 1101 B7R1.4 CN1CCNC1=O 091683 [0,1,0,1,0,0|1,0,0]=3 1102 B7R1.4 NC1CCNC1=O 047644 [0,1,0,1,0,0|1,0,0]=3 1103 B7R1.4 NC1CCOC1=O 432676 [0,1,0,1,0,0|0,1,0]=3 1104 B7R1.4 N[C@H]1CCOC1=O 078519 [0,1,0,1,0,0|0,1,0]=3 1105 B7R1.4 O=C1NCCC1O 093757 [0,1,0,1,0,0|1,0,0]=3 1106 B7R1.22 CNC(=O)C1CC1 527999 [0,1,0,1,0,0|1,0,0]=3 1107 B7R1.22 COC(=O)C1CC1 022090 [0,1,0,1,0,0|1,0,0]=3 1108 B7R1.22 COC(=O)[C@H]1CO1 225417 [0,1,0,1,0,0|2,0,0]=4 1109 B7R1.22 C\C(=N/O)C1CC1 075938 [0,1,0,1,0,0|1,0,1]=4 1110 B7R1.22 NNC(=O)C1CC1 026730 [0,1,0,1,0,0|2,0,0]=4 1111 B7R1.22 O=C(CBr)C1CC1 064670 [0,1,0,1,0,0|1,0,0]=3 1112 B7R1.22 [C@@H]1(C(=O)OC)CO1 493582 [0,1,0,1,0,0|2,0,0]=4 1113 B7R1.20 CC(=O)NC1CC1 103802 [0,1,0,1,0,0|1,0,0]=3 1114 B7R1.20 O=C(O)CC1CC1 003710 [0,1,0,1,0,0|2,0,0]=4 1115 B7R1.18 CC(=O)C1CCC1 513334 [0,1,0,1,0,0|1,0,0]=3 1116 B7R1.18 NC(=O)C1CCC1 243268 [0,1,0,1,0,0|2,0,0]=4 1117 B7R1.18 O=C(Cl)C1CCC1 009110 [0,1,0,1,0,0|2,0,0]=4 1118 B7R1.18 O=C(O)C1CCC1 003366 [0,1,0,1,0,0|2,0,0]=4 1119 B7R1.18 O=C(O)C1CCN1 047646 [0,1,0,1,0,0|2,0,0]=4 1120 B7R1.18 O=C(O)C1CNC1 035210 [0,1,0,1,0,0|2,0,0]=4 1121 B7R1.18 O=C(O)C1CNC1 040102 [0,1,0,1,0,0|2,0,0]=4 1122 B7R1.19 NC(=O)C1(Br)CC1 244431 [0,1,0,1,0,0|2,0,0]=4 1123 B7R1.19 NC1(C(=O)O)CC1 043411 [0,1,0,1,0,0|2,0,0]=4 1124 B7R1.19 O=C(O)C1(Br)CC1 043233 [0,1,0,1,0,0|2,0,0]=4 1125 B7R1.14 CC1(C)NCCS1 077828 [0,1,0,1,0,0|1,0,1]=4 1126 B7R1.14 O=S1(=O)CCCC1 044698 [0,1,0,1,0,0|2,0,0]=4 1127 B7R1.14 O=S1(=O)CCCC1 102836 [0,1,0,1,0,0|2,0,0]=4 1128 B7R1.14 O=S1(=O)CCCO1 047727 [0,1,0,1,0,0|1,1,0]=4