0 B6R0.3 C=C(C)C(=O)OC C14527 [0,0,0,0,0,0|2,1,1]=4 1 B6R0.3 C=C(C)C(=O)OC C19504 [0,0,0,0,0,0|2,1,1]=4 2 B6R0.3 CC(=O)\C(C)=N\O C07509 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CC(C=O)C(=O)O C00349 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.3 CC(CN)C(=O)O C05145 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.3 CC(CO)C(=O)O C01188 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 CCC(=N)C(=O)O C20905 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 CCC(=O)C(=O)O C00109 [0,0,0,0,0,0|1,1,1]=3 8 B6R0.3 CCC(C)C(=O)O C18319 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CC[C@@H](N)C(=O)O C02261 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 CC[C@H](N)C(=O)O C02356 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.3 CC[C@H](O)C(=O)O C05984 [0,0,0,0,0,0|1,1,0]=2 12 B6R0.3 CN[C@@H](C)C(=O)O C02721 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.3 C[C@@H](C=O)C(=O)O C06002 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.3 C[C@@H](CN)C(=O)O C03284 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.3 C[C@@H](CO)C(=O)O C06001 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.3 C[C@H](C=O)C(=O)O C21030 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.3 C[C@H](CN)C(=O)O C01205 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.3 C\C=C(/C)C(=O)O C08279 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.3 C\C=C(/N)C(=O)O C17234 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.3 NC(CO)C(=O)O C00716 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.3 NC(CS)C(=O)O C00736 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.3 NCC(F)C(=O)O C16632 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.3 NCC(N)C(=O)O C06393 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.3 NC[C@H](N)C(=O)O C03401 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.3 N[C@@H](C=O)C(=O)O C11822 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.3 N[C@@H](CCl)C(=O)O C02635 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.3 N[C@@H](CO)C(=O)O C00065 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.3 N[C@@H](CS)C(=O)O C00097 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.3 N[C@H](CCl)C(=O)O C02634 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.3 N[C@H](CF)C(=O)O C02638 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.3 N[C@H](CO)C(=O)O C00740 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.3 N[C@H](CS)C(=O)O C00793 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.3 O=C(O)C(=O)CO C00168 [0,0,0,0,0,0|2,1,1]=4 34 B6R0.3 O=C(O)C(=O)CS C00957 [0,0,0,0,0,0|2,1,1]=4 35 B6R0.3 O=C(O)[C@@H](O)CS C05823 [0,0,0,0,0,0|2,1,0]=3 36 B6R0.3 O=C(O)[C@H](O)CO C00258 [0,0,0,0,0,0|2,1,0]=3 37 B6R0.3 O=CC(O)C(=O)O C01146 [0,0,0,0,0,0|2,1,1]=4 38 B6R0.3 [*]C(=O)[C@@H](N)CS C21487 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.3 [*]CC(=O)C(=O)O C00972 [0,0,0,0,0,0|2,1,1]=4 40 B6R0.3 [*]CC(=O)C(=O)O C17265 [0,0,0,0,0,0|2,1,1]=4 41 B6R0.3 [*]CC(N)C(=O)O C17266 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.3 [*]CC(O)C(=O)O C05102 [0,0,0,0,0,0|2,1,0]=3 43 B6R0.3 [*]C[C@H](N)C(=O)O C01021 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.3 [*][C@H](NC)C(=O)O C03148 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.3 [*][C@H](NO)C(=O)O C05710 [0,0,0,0,0,0|4,0,0]=4 46 B6R0.3 [SeH]C[C@H](N)C(=O)O C05688 [0,0,0,0,0,0|3,0,0]=3 47 B5R0.1 C#CCC(=O)O C06144 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.1 C=COC(C)=O C19309 [1,0,0,0,0,0|1,0,2]=4 49 B5R0.1 C=COC(C)=O C19546 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.1 CC(=O)NCN C02297 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 CC(C)=CCO C01390 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 CC(C)CCN C02640 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 CC(C)CCO C07328 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 CC(O)CCO C20335 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.1 CCCC(=O)O C00246 [1,0,0,0,0,0|1,0,0]=2 56 B5R0.1 CCCC(C)=O C01949 [1,0,0,0,0,0|0,0,0]=1 57 B5R0.1 CCNC(C)=O C21404 [1,0,0,0,0,0|1,0,0]=2 58 B5R0.1 CCOC(C)=O C00849 [1,0,0,0,0,0|1,0,0]=2 59 B5R0.1 CCOC(N)=O C01537 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 CNCC(=O)O C00213 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.1 CSCC(=O)O C03173 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.1 C\C=C\C(=O)O C01771 [1,0,0,0,0,0|1,0,2]=4 63 B5R0.1 NC(=O)NCO C06384 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.1 NCCC(=O)O C00099 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.1 NCCC(N)=O C19779 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.1 NCCS(=O)O C00519 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.1 NCNC(N)=O C06383 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.1 O=C(O)CCO C01013 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.1 O=CCC(=O)O C00222 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.1 P(=O)(O)OCC C18401 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.1 [*]C(=O)OCC C04202 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.1 [*]CCC(=O)O C00347 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 [*]CCC(=O)O C00638 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.1 [*]COC([*])=O C02434 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.3 CCC(C)C#N C21525 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.3 CCC(C)C=O C02223 [1,0,0,0,0,0|1,0,0]=2 77 B5R0.3 CCN(C)N=O C19281 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.3 CN(C=O)CO C11488 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.3 O=CC(O)CO C02154 [1,0,0,0,0,0|1,1,0]=3 80 B5R0.3 O=C[C@@H](O)CO C02426 [1,0,0,0,0,0|1,1,0]=3 81 B5R0.3 O=C[C@H](O)CO C00577 [1,0,0,0,0,0|1,1,0]=3 82 B5R0.3 OCC(S)CS C02924 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.5 CC(=N)C(=O)O C20904 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.5 CC(=O)C(=O)O C00022 [1,0,0,0,0,0|1,1,1]=4 85 B5R0.5 CC(=O)C(C)=O C00741 [1,0,0,0,0,0|0,1,1]=3 86 B5R0.5 CC(=O)C(C)O C00466 [1,0,0,0,0,0|0,1,0]=2 87 B5R0.5 CC(=O)N(C)C C20339 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.5 CC(=O)[C@@H](C)O C00810 [1,0,0,0,0,0|0,1,0]=2 89 B5R0.5 CC(=O)[C@H](C)O C01769 [1,0,0,0,0,0|0,1,0]=2 90 B5R0.5 CC(C)C(=O)O C02632 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.5 CC(C)[N+](=O)[O-] C02116 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.5 CC(N)C(=O)O C01401 [1,0,0,0,0,0|2,0,0]=3 93 B5R0.5 CC(O)C(=O)O C01432 [1,0,0,0,0,0|1,1,0]=3 94 B5R0.5 CN(C)C(=O)Cl C19175 [1,0,0,0,0,0|3,0,0]=4 95 B5R0.5 C[C@@H](N)C(=O)O C00133 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.5 C[C@@H](O)C(=O)O C00256 [1,0,0,0,0,0|1,1,0]=3 97 B5R0.5 C[C@@H](O)[C@@H](C)O C03044 [1,0,0,0,0,0|0,1,2]=4 98 B5R0.5 C[C@H](Cl)C(=O)O C20608 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.5 C[C@H](N)C(=O)O C00041 [1,0,0,0,0,0|2,0,0]=3 100 B5R0.5 C[C@H](O)C(=O)O C00186 [1,0,0,0,0,0|1,1,0]=3 101 B5R0.5 C[C@H](O)[C@@H](C)O C20657 [1,0,0,0,0,0|0,1,2]=4 102 B5R0.5 C[C@H](O)[C@H](C)O C03046 [1,0,0,0,0,0|0,1,2]=4 103 B5R0.5 O=C(Cl)C(Cl)Cl C14867 [1,0,0,0,0,0|3,0,0]=4 104 B5R0.5 O=C(O)C(Br)Br C20123 [1,0,0,0,0,0|3,0,0]=4 105 B5R0.5 O=C(O)C(Cl)Br C19212 [1,0,0,0,0,0|3,0,0]=4 106 B5R0.5 O=C(O)C(Cl)Cl C11149 [1,0,0,0,0,0|3,0,0]=4 107 B5R0.5 [*]C(=O)C([*])O C01398 [1,0,0,0,0,0|2,1,0]=4 108 B5R0.5 [*]C(=O)[C@H]([*])N C01076 [1,0,0,0,0,0|3,0,0]=4 109 B5R0.5 [*]C(C)C(=O)O C06389 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.5 [*]C(N)C(=O)O C00045 [1,0,0,0,0,0|3,0,0]=4 111 B5R0.5 [*]C(N)C(=O)O C05167 [1,0,0,0,0,0|3,0,0]=4 112 B5R0.5 [*]C(O)C(=O)O C02929 [1,0,0,0,0,0|2,1,0]=4 113 B5R0.5 [*]C([*])C(=O)O C02103 [1,0,0,0,0,0|3,0,0]=4 114 B5R0.5 [*]C([*])C(=O)O C15564 [1,0,0,0,0,0|3,0,0]=4 115 B5R0.5 [*][C@@H](N)C(=O)O C00405 [1,0,0,0,0,0|3,0,0]=4 116 B5R0.5 [*][C@@H](O)C(=O)O C02489 [1,0,0,0,0,0|2,1,0]=4 117 B5R0.5 [*][C@H](N)C(=O)O C00151 [1,0,0,0,0,0|3,0,0]=4 118 B5R0.5 [*][C@H](O)C(=O)O C15565 [1,0,0,0,0,0|2,1,0]=4 119 B7R0.5 CCCC(=O)C(=O)O C06255 [0,1,0,0,0,0|1,1,1]=4 120 B7R0.5 CCC[C@@H](N)C(=O)O C01799 [0,1,0,0,0,0|2,0,0]=3 121 B7R0.5 CCC[C@H](N)C(=O)O C01826 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.5 CNC[C@H](N)C(=O)O C08291 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.5 C[Se]CC(=O)C(=O)O C18904 [0,1,0,0,0,0|1,1,1]=4 124 B7R0.5 C[Se]C[C@H](N)C(=O)O C05689 [0,1,0,0,0,0|2,0,0]=3 125 B7R0.5 N#CC[C@H](N)C(=O)O C02512 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.5 NC(CCS)C(=O)O C05330 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.5 NCC[C@H](N)C(=O)O C03283 [0,1,0,0,0,0|2,0,0]=3 128 B7R0.5 N[C@@H](CC=O)C(=O)O C00441 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.5 N[C@@H](CCO)C(=O)O C00263 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.5 N[C@@H](CCS)C(=O)O C00155 [0,1,0,0,0,0|2,0,0]=3 131 B7R0.5 N[C@@H](CSS)C(=O)O C01962 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.5 [*]SC[C@H](N)C(=O)O C02749 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.5 [*]SC[C@H](N)C(=O)O C02882 [0,1,0,0,0,0|3,0,0]=4 134 B7R0.5 [*]SC[C@H](N)C(=O)O C05726 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.5 [SeH]CC[C@H](N)C(=O)O C05698 [0,1,0,0,0,0|2,0,0]=3 136 B7R0.10 CCC(=O)C(O)CC C02948 [0,1,0,0,0,0|0,1,0]=2 137 B7R0.10 COC(=O)C(=O)OC C10900 [0,1,0,0,0,0|1,1,1]=4 138 B7R0.10 CSC(=O)[C@H](O)CO C03804 [0,1,0,0,0,0|1,1,0]=3 139 B7R0.10 O=C(CO)[C@@H](O)CO C02045 [0,1,0,0,0,0|1,1,0]=3 140 B7R0.10 O=C(CO)[C@H](O)CO C02022 [0,1,0,0,0,0|1,1,0]=3 141 B7R0.10 [*]CC(C)C(=O)S[*] C21392 [0,1,0,0,0,0|3,0,0]=4 142 B7R0.10 [*]SC(=O)[C@@H](C)CC C21129 [0,1,0,0,0,0|2,0,0]=3 143 B7R0.13 CCC(C)(N)C(=O)O C03571 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.13 C[C@@](N)(CO)C(=O)O C02115 [0,1,0,0,0,0|3,0,0]=4 145 B7R0.15 CCN(N=O)C(N)=O C19178 [0,1,0,0,0,0|2,1,0]=4 146 B7R0.15 O=C(O)C(CS)CS C04371 [0,1,0,0,0,0|2,0,0]=3 147 B7R0.16 CC(=O)C(N)C(=O)O C03214 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.16 CC(=O)[C@H](N)C(=O)O C03508 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.16 CC(C)C(=O)C(=O)O C00141 [0,1,0,0,0,0|1,1,1]=4 150 B7R0.16 CC(C)C(N)C(=O)O C16436 [0,1,0,0,0,0|2,0,0]=3 151 B7R0.16 CC(C)[C@@H](N)C(=O)O C06417 [0,1,0,0,0,0|2,0,0]=3 152 B7R0.16 CC(C)[C@H](N)C(=O)O C00183 [0,1,0,0,0,0|2,0,0]=3 153 B7R0.16 CC(O)C(O)C(N)=O C11108 [0,1,0,0,0,0|1,1,0]=3 154 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O C12317 [0,1,0,0,0,0|2,0,0]=3 155 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O C00188 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O C00820 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.16 C[C@H](O)[C@H](N)C(=O)O C05519 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.16 [*]C([*])[C@H](N)C(=O)O C04313 [0,1,0,0,0,0|3,0,0]=4 159 B7R0.16 [*][C@H](O)[C@@H]([*])C(=O)O C21645 [0,1,0,0,0,0|3,0,0]=4 160 B7R1.4 C=C1CCOC1=O C20578 [0,0,0,1,0,0|2,0,1]=4 161 B7R1.4 CN1CCCC1=O C11118 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.4 NC1CCOC1=O C02926 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.4 NC1CONC1=O C06682 [0,0,0,1,0,0|3,0,0]=4 164 B7R1.4 N[C@H]1CCOC1=O C19777 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.4 [C@@H]1(N)CONC1=O C08057 [0,0,0,1,0,0|3,0,0]=4 166 B7R1.15 [*][C@@H]1OC(=O)[C@@H]1[*] C21657 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.18 O=C(O)[C@@H]1CCN1 C08267 [0,0,0,1,0,0|2,0,0]=3 168 B7R1.19 NC1(C(=O)O)CC1 C01234 [0,0,0,1,0,0|2,0,0]=3 169 B7R0.2 CCC(=O)CC(=O)O C02233 [0,0,0,0,0,1|1,1,1]=4 170 B7R0.2 NCC(O)CC(=O)O C03678 [0,0,0,0,0,1|2,1,0]=4 171 B7R0.2 [*]CC([*])OC(C)=O C12282 [0,0,0,0,0,1|2,0,0]=3 172 B4R0.1 C(=O)C(C)O C05999 [2,0,0,0,0,0|0,1,0]=3 173 B4R0.1 C(=O)N(C)C C03134 [2,0,0,0,0,0|2,0,0]=4 174 B4R0.1 C=C(C)CCl C19363 [2,0,0,0,0,0|2,0,0]=4 175 B4R0.1 C=CC(C)=O C20701 [2,0,0,0,0,0|0,0,2]=4 176 B4R0.1 CC(=O)C=O C00546 [2,0,0,0,0,0|0,1,1]=4 177 B4R0.1 CC(=O)CN C01888 [2,0,0,0,0,0|1,0,0]=3 178 B4R0.1 CC(=O)CO C05235 [2,0,0,0,0,0|0,1,0]=3 179 B4R0.1 CC(=O)NN C07447 [2,0,0,0,0,0|2,0,0]=4 180 B4R0.1 CC(=O)NO C06808 [2,0,0,0,0,0|1,1,0]=4 181 B4R0.1 CC(C)CN C02787 [2,0,0,0,0,0|2,0,0]=4 182 B4R0.1 CC(C)CO C14710 [2,0,0,0,0,0|2,0,0]=4 183 B4R0.1 CC(Cl)CCl C19034 [2,0,0,0,0,0|2,0,0]=4 184 B4R0.1 CC(O)CN C05771 [2,0,0,0,0,0|1,1,0]=4 185 B4R0.1 CC(O)CO C00583 [2,0,0,0,0,0|1,1,0]=4 186 B4R0.1 CCC(=O)O C00163 [2,0,0,0,0,0|1,0,0]=3 187 B4R0.1 CCC(C)=O C02845 [2,0,0,0,0,0|0,0,0]=2 188 B4R0.1 CCC(C)N C18706 [2,0,0,0,0,0|1,0,0]=3 189 B4R0.1 CC[N+](=O)[O-] C01837 [2,0,0,0,0,0|1,1,0]=4 190 B4R0.1 CNC(N)=O C16363 [2,0,0,0,0,0|2,0,0]=4 191 B4R0.1 COC(C)=O C17530 [2,0,0,0,0,0|1,0,0]=3 192 B4R0.1 COC(N)=O C19445 [2,0,0,0,0,0|2,0,0]=4 193 B4R0.1 C[C@@H](O)C=O C00937 [2,0,0,0,0,0|0,1,0]=3 194 B4R0.1 C[C@@H](O)CN C03194 [2,0,0,0,0,0|1,1,0]=4 195 B4R0.1 C[C@@H](O)CO C02912 [2,0,0,0,0,0|1,1,0]=4 196 B4R0.1 C[C@H](O)C=O C00424 [2,0,0,0,0,0|0,1,0]=3 197 B4R0.1 C[C@H](O)CO C02917 [2,0,0,0,0,0|1,1,0]=4 198 B4R0.1 NC(=O)CF C18675 [2,0,0,0,0,0|2,0,0]=4 199 B4R0.1 NCC(=O)O C00037 [2,0,0,0,0,0|2,0,0]=4 200 B4R0.1 O=C(Cl)CCl C14859 [2,0,0,0,0,0|2,0,0]=4 201 B4R0.1 O=C(O)CCl C06755 [2,0,0,0,0,0|2,0,0]=4 202 B4R0.1 O=C(O)CF C06108 [2,0,0,0,0,0|2,0,0]=4 203 B4R0.1 O=C(O)CO C00160 [2,0,0,0,0,0|1,1,0]=4 204 B4R0.1 O=C(O)CO C03547 [2,0,0,0,0,0|1,1,0]=4 205 B4R0.1 O=C(O)CS C02086 [2,0,0,0,0,0|1,0,0]=3 206 B4R0.1 O=C([O-])CF C18588 [2,0,0,0,0,0|2,0,0]=4 207 B4R0.1 O=CC(Cl)Cl C14858 [2,0,0,0,0,0|2,0,0]=4 208 B4R0.1 [*]C(=O)CO C03667 [2,0,0,0,0,0|1,1,0]=4 209 B4R0.1 [*]C(=O)OC C03395 [2,0,0,0,0,0|2,0,0]=4 210 B4R0.1 [*]C(O)C=O C01370 [2,0,0,0,0,0|1,1,0]=4 211 B4R0.1 [*]C(O)C=O C06461 [2,0,0,0,0,0|1,1,0]=4 212 B4R0.1 [*]CC(=O)O C01812 [2,0,0,0,0,0|2,0,0]=4 213 B4R0.1 [*]CC([*])C C19505 [2,0,0,0,0,0|2,0,0]=4 214 B4R0.1 [*]NC(C)=O C02998 [2,0,0,0,0,0|2,0,0]=4 215 B4R0.1 [*]OC(C)=O C01883 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.1 [*]OC(C)=O C03707 [2,0,0,0,0,0|2,0,0]=4 217 B4R0.1 [*]SC(C)=O C03939 [2,0,0,0,0,0|2,0,0]=4 218 B4R0.1 [*]SC(C)=O C04334 [2,0,0,0,0,0|2,0,0]=4 219 B4R0.2 C#CCC=O C06145 [2,0,0,0,0,0|0,0,2]=4 220 B4R0.2 C=CCCN C12244 [2,0,0,0,0,0|1,0,1]=4 221 B4R0.2 CCC=S=O C08389 [2,0,0,0,0,0|1,0,1]=4 222 B4R0.2 CCCC=O C01412 [2,0,0,0,0,0|0,0,0]=2 223 B4R0.2 CCCCO C06142 [2,0,0,0,0,0|0,0,2]=4 224 B4R0.2 CCOCC C13240 [2,0,0,0,0,0|1,0,1]=4 225 B4R0.2 CCSCC C02272 [2,0,0,0,0,0|1,0,1]=4 226 B4R0.2 C\C=C\C=O C19377 [2,0,0,0,0,0|0,0,2]=4 227 B4R0.2 NCCC=O C05665 [2,0,0,0,0,0|1,0,0]=3 228 B4R0.2 O=CCC=O C19440 [2,0,0,0,0,0|1,0,1]=4 229 B4R0.2 O=CCCO C00969 [2,0,0,0,0,0|1,0,0]=3 230 B4R0.2 [*]CCC=O C00609 [2,0,0,0,0,0|1,0,0]=3 231 B6R0.1 C=CC(=O)OCC C19238 [1,1,0,0,0,0|1,0,1]=4 232 B6R0.1 COCC(=O)OC C14601 [1,1,0,0,0,0|1,0,0]=3 233 B6R0.1 [*]CCC(=O)S[*] C00173 [1,1,0,0,0,0|2,0,0]=4 234 B6R0.1 [*]CCC(=O)S[*] C20683 [1,1,0,0,0,0|2,0,0]=4 235 B6R0.1 [*]OCC(=O)CO C02446 [1,1,0,0,0,0|2,0,0]=4 236 B6R0.1 [*]SC(=O)CCC C05745 [1,1,0,0,0,0|1,0,0]=3 237 B6R0.2 CC(=O)CC(=O)O C00164 [1,1,0,0,0,0|1,0,1]=4 238 B6R0.2 CC(=O)CC(=O)[O-] C17688 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.2 CC(=O)CC(C)=O C15499 [1,1,0,0,0,0|0,0,1]=3 240 B6R0.2 CC(=O)CC(C)C C19263 [1,1,0,0,0,0|0,0,0]=2 241 B6R0.2 CC(=O)CC(N)=O C11106 [1,1,0,0,0,0|1,0,1]=4 242 B6R0.2 CC(C)CC(=O)O C08262 [1,1,0,0,0,0|1,0,0]=3 243 B6R0.2 CC(O)CC(N)=O C11109 [1,1,0,0,0,0|1,0,0]=3 244 B6R0.2 CN(C)CC(=O)O C01026 [1,1,0,0,0,0|2,0,0]=4 245 B6R0.2 C[C@@H](O)CC(=O)O C01089 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.2 C[C@H](O)CC(=O)O C03197 [1,1,0,0,0,0|1,0,0]=3 247 B6R0.2 C[S+](C)CC(=O)O C03392 [1,1,0,0,0,0|2,0,0]=4 248 B6R0.2 [*]C(O)CC(=O)O C03834 [1,1,0,0,0,0|2,0,0]=4 249 B6R0.4 CC(=O)SCCN C03537 [1,1,0,0,0,0|1,0,0]=3 250 B6R0.4 CCCCC(=O)O C00803 [1,1,0,0,0,0|1,0,0]=3 251 B6R0.4 CCCCC(N)=O C01842 [1,1,0,0,0,0|1,0,0]=3 252 B6R0.4 CCCOC(N)=O C19514 [1,1,0,0,0,0|1,0,0]=3 253 B6R0.4 CCNCC(=O)O C11735 [1,1,0,0,0,0|1,0,0]=3 254 B6R0.4 CSCCC(=O)O C08276 [1,1,0,0,0,0|1,0,0]=3 255 B6R0.4 NCCCC(=O)O C00334 [1,1,0,0,0,0|1,0,0]=3 256 B6R0.4 O=C(O)CCCO C00989 [1,1,0,0,0,0|1,0,0]=3 257 B6R0.4 O=C(O)CCCO C01991 [1,1,0,0,0,0|1,0,0]=3 258 B6R0.4 O=C(O)CCCS C21736 [1,1,0,0,0,0|1,0,0]=3 259 B6R0.4 O=CCCC(=O)O C00232 [1,1,0,0,0,0|1,0,1]=4 260 B6R0.4 [*]C(=O)NCCO C04080 [1,1,0,0,0,0|2,0,0]=4 261 B6R0.4 [*]CCNC(C)=O C15535 [1,1,0,0,0,0|1,0,0]=3 262 B6R0.5 CCOS(C)(=O)=O C19239 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.9 C\C=C(/CC)CO C02893 [1,1,0,0,0,0|0,1,1]=4 264 B6R0.7 CC(C)(N)C(=O)O C03665 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.7 CC(C)(O)C(=O)O C21297 [1,1,0,0,0,0|1,1,0]=4 266 B6R0.7 CC(Cl)(Cl)C(=O)O C18600 [1,1,0,0,0,0|2,0,0]=4 267 B8R0.2 CC(=O)C(=O)[C@@H](O)CO C11838 [0,1,0,0,0,1|1,1,0]=4 268 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO C06257 [0,1,0,0,0,1|1,1,0]=4 269 B8R0.2 CCC(C)C(=O)C(=O)O C03465 [0,1,0,0,0,1|2,0,0]=4 270 B8R0.2 CCC(C)C(N)C(=O)O C16434 [0,1,0,0,0,1|2,0,0]=4 271 B8R0.2 CC[C@@H](C)C(=O)C(=O)O C06008 [0,1,0,0,0,1|2,0,0]=4 272 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O C06418 [0,1,0,0,0,1|2,0,0]=4 273 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O C21096 [0,1,0,0,0,1|2,0,0]=4 274 B8R0.2 CC[C@H](C)C(=O)C(=O)O C00671 [0,1,0,0,0,1|2,0,0]=4 275 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O C21092 [0,1,0,0,0,1|2,0,0]=4 276 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O C00407 [0,1,0,0,0,1|2,0,0]=4 277 B8R0.5 CCOC(=O)CC(C)=O C03500 [0,1,0,0,0,1|0,1,1]=4 278 B8R0.23 CC(C)[C@H](N)CC(=O)O C02486 [0,1,0,0,0,1|2,0,0]=4 279 B8R0.8 CCCC[C@H](N)C(=O)O C01933 [0,2,0,0,0,0|2,0,0]=4 280 B8R0.8 CSCCC(N)C(=O)O C01733 [0,2,0,0,0,0|2,0,0]=4 281 B8R0.8 CSCC[C@@H](N)C(=O)O C00855 [0,2,0,0,0,0|2,0,0]=4 282 B8R0.8 CSCC[C@H](N)C(=O)O C00073 [0,2,0,0,0,0|2,0,0]=4 283 B8R0.8 C[Se]CC[C@H](N)C(=O)O C05335 [0,2,0,0,0,0|2,0,0]=4 284 B8R0.8 N#CCCC(N)C(=O)O C05717 [0,2,0,0,0,0|2,0,0]=4 285 B8R0.8 NCCCC(N)C(=O)O C01602 [0,2,0,0,0,0|2,0,0]=4 286 B8R0.8 NCCC[C@@H](N)C(=O)O C00515 [0,2,0,0,0,0|2,0,0]=4 287 B8R0.8 NCCC[C@@H](N)C(=O)O C11320 [0,2,0,0,0,0|2,0,0]=4 288 B8R0.8 NCCC[C@H](N)C(=O)O C00077 [0,2,0,0,0,0|2,0,0]=4 289 B8R0.8 NOCC[C@H](N)C(=O)O C08270 [0,2,0,0,0,0|2,0,0]=4 290 B8R0.8 N[C@@H](CCC=O)C(=O)O C01165 [0,2,0,0,0,0|2,0,0]=4 291 B8R0.27 CC(C)(O)C(O)C(=O)O C04039 [0,2,0,0,0,0|1,1,0]=4 292 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O C04272 [0,2,0,0,0,0|1,1,0]=4 293 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O C07418 [0,2,0,0,0,0|2,0,0]=4 294 B8R0.18 CC(C)[C@H](NO)C(=O)O C20313 [0,2,0,0,0,0|1,1,0]=4 295 B6R1.2 CC1=NCCC1 C20808 [1,0,0,1,0,0|1,0,0]=3 296 B6R1.2 C[C@@H]1CCCN1 C20809 [1,0,0,1,0,0|1,0,1]=4 297 B6R1.2 C[N+]1=CCCC1 C06178 [1,0,0,1,0,0|2,0,0]=4 298 B6R1.2 O=C1CCCC1 C00557 [1,0,0,1,0,0|0,0,0]=2 299 B6R1.2 O=C1CCCO1 C01770 [1,0,0,1,0,0|1,0,0]=3 300 B6R1.2 O=C1NCCO1 C06695 [1,0,0,1,0,0|2,0,0]=4 301 B6R1.2 O=C1OCCO1 C20363 [1,0,0,1,0,0|2,0,0]=4 302 B6R1.2 OC1CCCC1 C02020 [1,0,0,1,0,0|0,0,2]=4 303 B6R1.5 CC1CC(=O)O1 C19201 [1,0,0,1,0,0|1,0,0]=3 304 B6R1.11 O=C(O)C1CC1 C16267 [1,0,0,1,0,0|1,0,0]=3 305 B8R1.4 O=C1CCCC(=O)C1 C01066 [0,0,0,1,0,1|0,1,1]=4 306 B8R1.4 O=C1CCCC(=O)N1 C07275 [0,0,0,1,0,1|0,1,1]=4 307 B8R1.4 O=C1CCCC(O)C1 C03228 [0,0,0,1,0,1|0,1,0]=3 308 B8R1.5 O=C1CCCCC1=O C06105 [0,1,0,1,0,0|0,1,1]=4 309 B8R1.5 O=C1CCCCC1O C01147 [0,1,0,1,0,0|0,1,0]=3 310 B8R1.7 NC(=O)[C@@H]1CCCN1 C19781 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.7 O=C(O)C1CCC=N1 C04322 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.7 O=C(O)C1CCCN1 C16435 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.7 O=C(O)C1CCCS1 C11074 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.7 O=C(O)C1CSSC1 C01892 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.7 O=C(O)[C@@H]1CCCN1 C00148 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.7 O=C(O)[C@H]1CCCN1 C00763 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.7 [C@@H]1(C(=O)O)CCC=N1 C03912 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.11 C=CN1CCCC1=O C19548 [0,1,0,1,0,0|2,0,0]=4