0 B4R0.1 C=C(Br)CO DB04320 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 C=CC(=O)O DB02579 [0,0,0,0,0,0|0,0,2]=2 2 B4R0.1 CC(=O)C=O DB03587 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 CC(=O)NO DB00551 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.1 CC(=O)O[Hg+] DB02176 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 CC(O)CO DB01839 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 CCC(=O)O DB03766 [0,0,0,0,0,0|0,0,0]=0 7 B4R0.1 CCC(N)=O DB04161 [0,0,0,0,0,0|1,0,0]=1 8 B4R0.1 CC[C@@H](C)O DB02606 [0,0,0,0,0,0|1,0,1]=2 9 B4R0.1 C[C@@H](Cl)CCl DB01701 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 C[C@@H](O)CO DB02159 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C[C@H](O)C=O DB03776 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.1 C[C@H](O)CBr DB03335 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 C[C@H](O)CO DB04349 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.1 C[C@H](O)C[NH3+] DB02576 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 ClC=C(Cl)Cl DB13323 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 N=C(N)NN DB05383 [0,0,0,0,0,0|4,0,0]=4 17 B4R0.1 N=C(N)NO DB03770 [0,0,0,0,0,0|4,0,0]=4 18 B4R0.1 NC(=O)NO DB01005 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 NCC(=O)O DB00145 [0,0,0,0,0,0|1,0,0]=1 20 B4R0.1 NCC(=O)[O-] DB11189 [0,0,0,0,0,0|1,0,1]=2 21 B4R0.1 NCC(=O)[O-] DB11200 [0,0,0,0,0,0|1,0,1]=2 22 B4R0.1 NCC(=O)[O-] DB11210 [0,0,0,0,0,0|1,0,1]=2 23 B4R0.1 NCC(N)=O DB03636 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 O=C(O)CBr DB02198 [0,0,0,0,0,0|1,0,0]=1 25 B4R0.1 O=C(O)CO DB03085 [0,0,0,0,0,0|1,0,0]=1 26 B4R0.1 O=CC(=O)O DB04343 [0,0,0,0,0,0|1,0,1]=2 27 B4R0.1 O=[N+]([O-])O[Ag] DB11080 [0,0,0,0,0,0|3,0,1]=4 28 B3R0.1 C#[N+]CC DB03399 [1,0,0,0,0,0|2,0,0]=3 29 B3R0.1 C(N)=CS DB01968 [1,0,0,0,0,0|1,1,1]=4 30 B3R0.1 CCCO DB03175 [1,0,0,0,0,0|0,0,1]=2 31 B3R0.1 CCN=O DB02646 [1,0,0,0,0,0|1,0,0]=2 32 B3R0.1 CCNC DB02396 [1,0,0,0,0,0|2,0,0]=3 33 B3R0.1 CN=C=O DB12765 [1,0,0,0,0,0|1,0,1]=3 34 B3R0.1 ClCCCl DB03733 [1,0,0,0,0,0|2,0,1]=4 35 B3R0.1 N=CCN DB02108 [1,0,0,0,0,0|2,0,0]=3 36 B3R0.1 NCCN DB14189 [1,0,0,0,0,0|2,0,1]=4 37 B3R0.1 NCCO DB03994 [1,0,0,0,0,0|1,0,1]=3 38 B3R0.1 NCCS DB00847 [1,0,0,0,0,0|1,1,1]=4 39 B3R0.1 O=BOO DB13235 [1,0,0,0,0,0|3,0,0]=4 40 B3R0.1 OCCS DB03345 [1,0,0,0,0,0|1,0,1]=3 41 B3R0.2 CC(=O)O DB03166 [1,0,0,0,0,0|0,0,0]=1 42 B3R0.2 CC(=O)[O-] DB00258 [1,0,0,0,0,0|0,0,1]=2 43 B3R0.2 CC(=O)[O-] DB09395 [1,0,0,0,0,0|0,0,1]=2 44 B3R0.2 CC(=O)[O-] DB09409 [1,0,0,0,0,0|0,0,1]=2 45 B3R0.2 CC(=O)[O-] DB13996 [1,0,0,0,0,0|0,0,1]=2 46 B3R0.2 CC(C)O DB02325 [1,0,0,0,0,0|1,0,1]=3 47 B3R0.2 CC(N)=O DB02736 [1,0,0,0,0,0|1,0,0]=2 48 B3R0.2 CS(C)=O DB01093 [1,0,0,0,0,0|2,0,0]=3 49 B3R0.2 C[P@@H](=O)[O-] DB02825 [1,0,0,0,0,0|1,0,1]=3 50 B3R0.2 C[P@H](=O)O DB02845 [1,0,0,0,0,0|1,0,0]=2 51 B3R0.2 N=C(N)N DB00536 [1,0,0,0,0,0|3,0,0]=4 52 B3R0.2 N=C(N)O DB11129 [1,0,0,0,0,0|2,0,0]=3 53 B3R0.2 N=[13C](N)O DB09510 [1,0,0,0,0,0|2,0,0]=3 54 B3R0.2 NC(=O)O DB04261 [1,0,0,0,0,0|1,0,0]=2 55 B3R0.2 NC(N)=O DB03904 [1,0,0,0,0,0|2,0,0]=3 56 B3R0.2 N[14C](N)=O DB09513 [1,0,0,0,0,0|2,0,0]=3 57 B3R0.2 O=C([O-])O DB01390 [1,0,0,0,0,0|1,0,0]=2 58 B3R0.2 O=C([O-])O DB11098 [1,0,0,0,0,0|1,0,0]=2 59 B3R0.2 O=C([O-])[O-] DB06724 [1,0,0,0,0,0|1,0,1]=3 60 B3R0.2 O=C([O-])[O-] DB06792 [1,0,0,0,0,0|1,0,1]=3 61 B3R0.2 O=C([O-])[O-] DB09460 [1,0,0,0,0,0|1,0,1]=3 62 B3R0.2 O=C([O-])[O-] DB09481 [1,0,0,0,0,0|1,0,1]=3 63 B3R0.2 O=C([O-])[O-] DB13322 [1,0,0,0,0,0|1,0,1]=3 64 B3R0.2 O=C([O-])[O-] DB13977 [1,0,0,0,0,0|1,0,1]=3 65 B3R0.2 O=S([O-])O DB14015 [1,0,0,0,0,0|2,0,0]=3 66 B3R0.2 O=[Mo+6](O)O DB04494 [1,0,0,0,0,0|2,0,0]=3 67 B3R0.2 O=[Mo](=O)S DB03328 [1,0,0,0,0,0|2,0,1]=4 68 B3R0.2 O=[N+]([O-])[O-] DB05260 [1,0,0,0,0,0|2,0,1]=4 69 B3R0.2 O=[N+]([O-])[O-] DB11090 [1,0,0,0,0,0|2,0,1]=4 70 B3R0.2 O=[N+]([O-])[O-] DB13209 [1,0,0,0,0,0|2,0,1]=4 71 B3R0.2 O=[Se](O)O DB11127 [1,0,0,0,0,0|2,0,0]=3 72 B3R0.2 O=[Si]([O-])[O-] DB14116 [1,0,0,0,0,0|1,1,1]=4 73 B3R0.2 OB(O)O DB11326 [1,0,0,0,0,0|2,0,1]=4 74 B3R0.2 OCl(=O)=O DB14150 [1,0,0,0,0,0|2,0,0]=3 75 B3R0.2 O[As](O)O DB04456 [1,0,0,0,0,0|2,0,1]=4 76 B3R0.2 O[Sb](O)O DB02453 [1,0,0,0,0,0|2,0,1]=4 77 B3R0.2 O[Zn-](O)O DB02165 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.1 C=C(Br)CCO DB04592 [0,1,0,0,0,0|2,0,0]=3 79 B5R0.1 CC(=O)CCO DB04094 [0,1,0,0,0,0|1,0,0]=2 80 B5R0.1 CC(C)CCO DB02296 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.1 CC(O)CCO DB14110 [0,1,0,0,0,0|1,0,1]=3 82 B5R0.1 CCCC(=O)O DB03568 [0,1,0,0,0,0|0,0,0]=1 83 B5R0.1 CCCC(N)=O DB02121 [0,1,0,0,0,0|1,0,0]=2 84 B5R0.1 CCOC(N)=O DB04827 [0,1,0,0,0,0|1,0,0]=2 85 B5R0.1 CCSC(=N)N DB02234 [0,1,0,0,0,0|2,0,0]=3 86 B5R0.1 CC[Se]C(=N)N DB02589 [0,1,0,0,0,0|2,0,0]=3 87 B5R0.1 CN(C)CCO DB13352 [0,1,0,0,0,0|3,0,0]=4 88 B5R0.1 CNCC(=O)O DB12519 [0,1,0,0,0,0|0,0,0]=1 89 B5R0.1 CSCC(=O)[O-] DB03517 [0,1,0,0,0,0|0,0,1]=2 90 B5R0.1 CSC[S@](C)=O DB02311 [0,1,0,0,0,0|2,0,0]=3 91 B5R0.1 C[C@H](O)CCO DB02202 [0,1,0,0,0,0|1,0,1]=3 92 B5R0.1 C[Se]CC(=O)[O-] DB03098 [0,1,0,0,0,0|0,0,1]=2 93 B5R0.1 C[Te]CC(=O)[O-] DB01918 [0,1,0,0,0,0|0,0,1]=2 94 B5R0.1 C\C=C\C(=O)O DB02074 [0,1,0,0,0,0|0,0,1]=2 95 B5R0.1 NCCC(=O)O DB03107 [0,1,0,0,0,0|0,0,0]=1 96 B5R0.1 NOCC(=O)O DB02079 [0,1,0,0,0,0|1,0,0]=2 97 B5R0.1 O=C(O)CCO DB03688 [0,1,0,0,0,0|0,0,0]=1 98 B5R0.3 O=C(CO)CO DB01775 [0,1,0,0,0,0|1,0,0]=2 99 B5R0.3 O=C[C@H](O)CO DB02536 [0,1,0,0,0,0|1,0,1]=3 100 B5R0.3 OCC(O)CO DB09462 [0,1,0,0,0,0|1,0,2]=4 101 B5R0.3 OCC(S)CS DB06782 [0,1,0,0,0,0|1,1,1]=4 102 B5R0.3 OC[C@@H](O)CS DB03864 [0,1,0,0,0,0|1,0,2]=4 103 B5R0.4 C=CS(=O)(=O)O DB04359 [0,1,0,0,0,0|1,0,2]=4 104 B5R0.4 CCS(=O)(=O)O DB03635 [0,1,0,0,0,0|1,0,0]=2 105 B5R0.4 CC[Si](C)(C)C DB02265 [0,1,0,0,0,0|2,1,0]=4 106 B5R0.4 O=P([O-])([O-])CS DB03498 [0,1,0,0,0,0|2,0,1]=4 107 B5R0.5 C=C(N)C(=O)O DB02688 [0,1,0,0,0,0|0,0,2]=3 108 B5R0.5 C=C(N)C(N)=O DB02002 [0,1,0,0,0,0|1,0,2]=4 109 B5R0.5 CC(=O)C(=O)O DB00119 [0,1,0,0,0,0|0,0,1]=2 110 B5R0.5 CC(=O)C(N)=O DB03578 [0,1,0,0,0,0|1,0,1]=3 111 B5R0.5 CC(=O)[C@@H](C)O DB04364 [0,1,0,0,0,0|1,0,0]=2 112 B5R0.5 CC(=O)[C@H](C)O DB02788 [0,1,0,0,0,0|1,0,0]=2 113 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [0,1,0,0,0,0|0,0,2]=3 114 B5R0.5 CC(C)C(=O)O DB02531 [0,1,0,0,0,0|0,0,0]=1 115 B5R0.5 CC(O)C(=O)O DB04398 [0,1,0,0,0,0|0,0,0]=1 116 B5R0.5 CC(O)C(=O)[O-] DB06768 [0,1,0,0,0,0|0,0,1]=2 117 B5R0.5 CC(O)C(=O)[O-] DB13231 [0,1,0,0,0,0|0,0,1]=2 118 B5R0.5 C[C@@H](N)C(=O)O DB01786 [0,1,0,0,0,0|0,0,0]=1 119 B5R0.5 C[C@@H](O)C(=O)O DB03066 [0,1,0,0,0,0|0,0,0]=1 120 B5R0.5 C[C@H](N)C(=O)O DB00160 [0,1,0,0,0,0|0,0,0]=1 121 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [0,1,0,0,0,0|1,0,1]=3 122 B5R0.5 NC(=O)C(=O)O DB03940 [0,1,0,0,0,0|1,0,1]=3 123 B5R0.5 O=C(O)C(=O)O DB03902 [0,1,0,0,0,0|1,0,1]=3 124 B5R0.5 O=C(O)C(Cl)Cl DB08809 [0,1,0,0,0,0|1,0,0]=2 125 B5R1.2 O=C1CCO1 DB09348 [0,0,0,1,0,0|0,0,0]=1 126 B5R1.3 ClCC1CO1 DB00658 [0,0,0,1,0,0|2,0,1]=4 127 B2R0.1 CCCl DB13259 [2,0,0,0,0,0|1,0,0]=3 128 B2R0.1 CCO DB00898 [2,0,0,0,0,0|0,0,0]=2 129 B2R0.1 CON DB06328 [2,0,0,0,0,0|2,0,0]=4 130 B2R0.1 N=N/C DB04361 [2,0,0,0,0,0|2,0,0]=4 131 B2R0.1 O=C=O DB09157 [2,0,0,0,0,0|0,0,2]=4 132 B2R0.1 O=CO DB01942 [2,0,0,0,0,0|0,0,0]=2 133 B2R0.1 O=Cl[O-] DB05389 [2,0,0,0,0,0|1,0,1]=4 134 B2R0.1 O=NO DB09112 [2,0,0,0,0,0|1,0,0]=3 135 B2R0.1 O=N[O-] DB12529 [2,0,0,0,0,0|1,0,1]=4 136 B2R0.1 O=P[O-] DB04053 [2,0,0,0,0,0|1,0,1]=4 137 B2R0.1 O=[Cl]=O DB12453 [2,0,0,0,0,0|1,0,1]=4 138 B2R0.1 O=[O+][O-] DB12510 [2,0,0,0,0,0|1,0,1]=4 139 B2R0.1 O=[Si]=O DB11132 [2,0,0,0,0,0|0,1,1]=4 140 B2R0.1 O=[Si]=O DB13654 [2,0,0,0,0,0|0,1,1]=4 141 B2R0.1 O=[Si]=O DB14138 [2,0,0,0,0,0|0,1,1]=4 142 B2R0.1 O=[Ti]=O DB09536 [2,0,0,0,0,0|1,0,1]=4 143 B2R0.1 [C-]#[N+]C DB04337 [2,0,0,0,0,0|1,0,1]=4 144 B4R0.2 CCCCN DB03659 [1,1,0,0,0,0|1,0,1]=4 145 B4R0.2 CCCCO DB02145 [1,1,0,0,0,0|0,0,1]=3 146 B4R0.2 COCCO DB02806 [1,1,0,0,0,0|0,0,1]=3 147 B4R0.2 C\C=C\C=O DB04381 [1,1,0,0,0,0|0,0,1]=3 148 B4R0.2 O=CCC=O DB03057 [1,1,0,0,0,0|0,0,1]=3 149 B4R0.2 OCCCO DB02774 [1,1,0,0,0,0|0,0,1]=3 150 B4R0.2 [C-]#[N+]CCC DB04050 [1,1,0,0,0,0|1,0,1]=4 151 B4R0.3 CC(C)(C)O DB03900 [1,1,0,0,0,0|1,0,1]=4 152 B4R0.3 CS(=O)(=O)F DB13058 [1,1,0,0,0,0|1,0,1]=4 153 B4R0.3 CS(C)(=O)=O DB14090 [1,1,0,0,0,0|1,0,1]=4 154 B4R0.3 C[As](C)(=O)O DB02994 [1,1,0,0,0,0|1,0,0]=3 155 B4R0.3 O=P(O)(O)O DB09394 [1,1,0,0,0,0|2,0,0]=4 156 B4R0.3 O=P([O-])(O)O DB09413 [1,1,0,0,0,0|2,0,0]=4 157 B4R0.3 O=P([O-])(O)O DB09449 [1,1,0,0,0,0|2,0,0]=4 158 B4R0.3 O=P([O-])([O-])O DB09414 [1,1,0,0,0,0|2,0,0]=4 159 B4R0.3 O=S(O)(O)=S DB09499 [1,1,0,0,0,0|2,0,0]=4 160 B4R0.3 O=[Se](=O)(O)O DB11068 [1,1,0,0,0,0|2,0,0]=4 161 B4R0.3 OP(=O)([O-])O DB02831 [1,1,0,0,0,0|2,0,0]=4 162 B6R0.1 CCNC(=O)OC DB03919 [0,2,0,0,0,0|0,0,0]=2 163 B6R0.1 CCOC(=O)NC DB02856 [0,2,0,0,0,0|1,0,0]=3 164 B6R0.1 CNC(=S)NCO DB13838 [0,2,0,0,0,0|1,1,0]=4 165 B6R0.2 CC(=O)CC(=O)O DB01762 [0,2,0,0,0,0|0,0,0]=2 166 B6R0.2 CC(C)CC(=O)O DB03750 [0,2,0,0,0,0|0,0,0]=2 167 B6R0.2 CC(C)SC(=N)N DB04018 [0,2,0,0,0,0|2,0,0]=4 168 B6R0.2 CN(C)CC(=O)O DB02083 [0,2,0,0,0,0|0,0,0]=2 169 B6R0.2 NC(=O)CC(=O)O DB02649 [0,2,0,0,0,0|0,0,1]=3 170 B6R0.2 O=C(O)CC(=O)O DB02175 [0,2,0,0,0,0|0,0,1]=3 171 B6R0.2 O=C([O-])CC(=O)[O-] DB02201 [0,2,0,0,0,0|0,0,2]=4 172 B6R0.3 C#C[C@H](N)C(=O)O DB04217 [0,2,0,0,0,0|0,0,1]=3 173 B6R0.3 C=C(NC)C(=O)O DB03920 [0,2,0,0,0,0|0,0,1]=3 174 B6R0.3 C=C[C@@H]([NH3+])C(=O)[O-] DB01804 [0,2,0,0,0,0|0,0,2]=4 175 B6R0.3 C=C[C@H](N)C(=O)O DB03214 [0,2,0,0,0,0|0,0,1]=3 176 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,2,0,0,0,0|1,0,1]=4 177 B6R0.3 CCC(=O)C(=O)O DB04553 [0,2,0,0,0,0|0,0,0]=2 178 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,2,0,0,0,0|0,0,0]=2 179 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,2,0,0,0,0|0,0,0]=2 180 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,2,0,0,0,0|0,0,1]=3 181 B6R0.3 C\C=C(/N)C(=O)O DB03720 [0,2,0,0,0,0|0,0,1]=3 182 B6R0.3 N[C@@H](CO)C(=O)O DB00133 [0,2,0,0,0,0|0,0,0]=2 183 B6R0.3 N[C@@H](CS)C(=O)O DB00151 [0,2,0,0,0,0|0,0,0]=2 184 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,2,0,0,0,0|0,0,0]=2 185 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,2,0,0,0,0|0,0,0]=2 186 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,2,0,0,0,0|0,0,0]=2 187 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,2,0,0,0,0|0,0,0]=2 188 B6R0.3 O=C(O)C(=O)CO DB02951 [0,2,0,0,0,0|0,0,1]=3 189 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,2,0,0,0,0|1,0,1]=4 190 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,2,0,0,0,0|1,0,0]=3 191 B6R0.3 [C@H](N)(CS)C(=O)O DB11197 [0,2,0,0,0,0|0,0,0]=2 192 B6R0.3 [NH3+][C@H](CCl)C(=O)[O-] DB01735 [0,2,0,0,0,0|0,0,1]=3 193 B6R0.4 CCCCB(O)O DB02664 [0,2,0,0,0,0|1,0,1]=4 194 B6R0.4 CCCCC(=O)O DB02406 [0,2,0,0,0,0|0,0,0]=2 195 B6R0.4 CCCOC(C)=O DB01670 [0,2,0,0,0,0|1,0,0]=3 196 B6R0.4 NCCCC(=O)O DB02530 [0,2,0,0,0,0|0,0,0]=2 197 B6R0.4 O=C([O-])CCCO DB01440 [0,2,0,0,0,0|0,0,1]=3 198 B6R0.4 O=C([O-])CCCO DB09072 [0,2,0,0,0,0|0,0,1]=3 199 B6R0.5 CCOP(=O)(O)O DB03822 [0,2,0,0,0,0|1,0,0]=3 200 B6R0.5 NCCS(=O)(=O)O DB01956 [0,2,0,0,0,0|1,0,0]=3 201 B6R0.5 O=CCP(=O)(O)O DB03174 [0,2,0,0,0,0|1,0,1]=4 202 B6R0.5 O=S(=O)(O)CCS DB09110 [0,2,0,0,0,0|1,0,0]=3 203 B6R0.7 CC(C)(N)C(=O)O DB02952 [0,2,0,0,0,0|0,0,0]=2 204 B6R0.7 O=C(O)P(=O)(O)O DB00529 [0,2,0,0,0,0|2,0,0]=4 205 B4R1.2 CC1CO1 DB11451 [1,0,0,1,0,0|0,0,1]=3 206 B6R1.2 NC1=NCCS1 DB02335 [0,1,0,1,0,0|1,1,0]=4 207 B6R1.2 O=C1CCCO1 DB04699 [0,1,0,1,0,0|0,0,0]=2 208 B6R1.2 OB1OCCO1 DB04369 [0,1,0,1,0,0|1,0,1]=4