0 B3R0.2 C=C(C)Br 27228 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.2 CB(O)O 6018 [0,0,0,0,0,0|1,0,1]=2 2 B3R0.2 CC(=O)Cl 17265 [0,0,0,0,0,0|1,0,0]=1 3 B3R0.2 CC(=O)O 22173 [0,0,0,0,0,0|0,0,0]=0 4 B3R0.2 CC(=O)[O-] 10966 [0,0,0,0,0,0|0,0,1]=1 5 B3R0.2 CC(=O)[O-] 18178 [0,0,0,0,0,0|0,0,1]=1 6 B3R0.2 CC(=O)[O-] 26340 [0,0,0,0,0,0|0,0,1]=1 7 B3R0.2 CC(=O)[O-] 3997 [0,0,0,0,0,0|0,0,1]=1 8 B3R0.2 CC(C)Br 18655 [0,0,0,0,0,0|2,0,1]=3 9 B3R0.2 CC(C)I 21400 [0,0,0,0,0,0|2,0,1]=3 10 B3R0.2 CC(F)F 21302 [0,0,0,0,0,0|2,0,1]=3 11 B3R0.2 CC(O)=S 28961 [0,0,0,0,0,0|0,1,0]=1 12 B3R0.2 CC([O-])=S 25455 [0,0,0,0,0,0|0,1,1]=2 13 B3R0.2 CN(C)C 18299 [0,0,0,0,0,0|3,0,0]=3 14 B3R0.2 CP(C)C 20413 [0,0,0,0,0,0|3,0,0]=3 15 B3R0.2 CS(=O)[O-] 28957 [0,0,0,0,0,0|1,0,1]=2 16 B3R0.2 CS(C)=O 44865 [0,0,0,0,0,0|2,0,0]=2 17 B3R0.2 C[PH](C)=O 29395 [0,0,0,0,0,0|2,0,0]=2 18 B3R0.2 C[S+](C)C 44700 [0,0,0,0,0,0|3,0,0]=3 19 B3R0.2 ClC(Br)Br 12531 [0,0,0,0,0,0|3,0,1]=4 20 B3R0.2 Cl[Ru](Cl)Cl 7652 [0,0,0,0,0,0|4,0,0]=4 21 B3R0.2 IC(I)I 28148 [0,0,0,0,0,0|3,0,1]=4 22 B3R0.2 N=C(N)N 21372 [0,0,0,0,0,0|3,0,0]=3 23 B3R0.2 N=C(N)N 36005 [0,0,0,0,0,0|3,0,0]=3 24 B3R0.2 O=C([O-])O 23592 [0,0,0,0,0,0|1,0,0]=1 25 B3R0.2 O=C([O-])[O-] 19981 [0,0,0,0,0,0|1,0,1]=2 26 B3R0.2 O=C([O-])[O-] 26167 [0,0,0,0,0,0|1,0,1]=2 27 B3R0.2 O=I(=O)[O-] 23596 [0,0,0,0,0,0|2,0,1]=3 28 B3R0.2 O=I(=O)[O-] 35037 [0,0,0,0,0,0|2,0,1]=3 29 B3R0.2 O=S(Br)Br 2023 [0,0,0,0,0,0|3,0,0]=3 30 B3R0.2 O=[Os](=O)=O 29022 [0,0,0,0,0,0|2,0,1]=3 31 B3R0.2 OB(O)O 10918 [0,0,0,0,0,0|2,0,1]=3 32 B3R0.2 PC(Cl)Cl 6473 [0,0,0,0,0,0|3,0,1]=4 33 B3R0.2 [O-]B([O-])[O-] 36100 [0,0,0,0,0,0|2,0,2]=4 34 B2R0.1 CCI 21355 [1,0,0,0,0,0|1,0,1]=3 35 B2R0.1 CCN 45201 [1,0,0,0,0,0|1,0,1]=3 36 B2R0.1 CC[O-] 26132 [1,0,0,0,0,0|0,0,2]=3 37 B2R0.1 CNC 18186 [1,0,0,0,0,0|2,0,0]=3 38 B2R0.1 CSC 14218 [1,0,0,0,0,0|2,0,0]=3 39 B2R0.1 CSC 36251 [1,0,0,0,0,0|2,0,0]=3 40 B2R0.1 C[Mg]Br 20745 [1,0,0,0,0,0|2,0,0]=3 41 B2R0.1 ClCBr 2209 [1,0,0,0,0,0|2,0,1]=4 42 B2R0.1 Cl[Co]Cl 25246 [1,0,0,0,0,0|3,0,0]=4 43 B2R0.1 FCBr 2382 [1,0,0,0,0,0|2,0,1]=4 44 B2R0.1 FCCl 35673 [1,0,0,0,0,0|2,0,1]=4 45 B2R0.1 N#CBr 12515 [1,0,0,0,0,0|2,0,1]=4 46 B2R0.1 N#C[Cu] 24249 [1,0,0,0,0,0|2,0,1]=4 47 B2R0.1 N#C[O-] 23312 [1,0,0,0,0,0|1,0,2]=4 48 B2R0.1 O=[PH2][O-] 12707 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.1 C#CC(=O)O 23201 [0,1,0,0,0,0|0,0,1]=2 50 B4R0.1 C#CC(C)=O 2024 [0,1,0,0,0,0|1,0,0]=2 51 B4R0.1 C#C[C@@H](C)O 20211 [0,1,0,0,0,0|1,0,1]=3 52 B4R0.1 C=C(C)CCl 20429 [0,1,0,0,0,0|2,0,0]=3 53 B4R0.1 C=C(Cl)C#N 15121 [0,1,0,0,0,0|2,0,1]=4 54 B4R0.1 C=CC(=O)O 21090 [0,1,0,0,0,0|0,0,1]=2 55 B4R0.1 C=CC(N)=O 14147 [0,1,0,0,0,0|1,0,1]=3 56 B4R0.1 C=C[N+](=O)[O-] 14436 [0,1,0,0,0,0|1,0,2]=4 57 B4R0.1 CC(=O)CBr 24199 [0,1,0,0,0,0|1,0,0]=2 58 B4R0.1 CC(C)=CBr 29713 [0,1,0,0,0,0|2,0,0]=3 59 B4R0.1 CC(C)CI 3951 [0,1,0,0,0,0|2,0,1]=4 60 B4R0.1 CC(C)NN 26972 [0,1,0,0,0,0|2,0,1]=4 61 B4R0.1 CC(O)CBr 12555 [0,1,0,0,0,0|1,0,1]=3 62 B4R0.1 CC=C(C)C 2026 [0,1,0,0,0,0|2,0,0]=3 63 B4R0.1 CCB(O)O 7960 [0,1,0,0,0,0|1,0,1]=3 64 B4R0.1 CCC(C)Br 3753 [0,1,0,0,0,0|2,0,1]=4 65 B4R0.1 CCC(C)I 3940 [0,1,0,0,0,0|2,0,1]=4 66 B4R0.1 CCC(C)O 6718 [0,1,0,0,0,0|1,0,1]=3 67 B4R0.1 CCC([NH-])=O 10938 [0,1,0,0,0,0|1,0,0]=2 68 B4R0.1 CCN(C)C 10322 [0,1,0,0,0,0|3,0,0]=4 69 B4R0.1 CCS(=O)[O-] 24643 [0,1,0,0,0,0|1,0,1]=3 70 B4R0.1 CC[C@@H](C)N 6741 [0,1,0,0,0,0|2,0,1]=4 71 B4R0.1 CC[C@@H](C)O 6717 [0,1,0,0,0,0|1,0,1]=3 72 B4R0.1 CC[C@H](C)N 6743 [0,1,0,0,0,0|2,0,1]=4 73 B4R0.1 CN(C)C=O 23341 [0,1,0,0,0,0|2,0,0]=3 74 B4R0.1 CNC(C)C 10279 [0,1,0,0,0,0|2,0,1]=4 75 B4R0.1 CNC(N)=S 35584 [0,1,0,0,0,0|1,1,0]=3 76 B4R0.1 COC(C)=N 2122 [0,1,0,0,0,0|1,0,0]=2 77 B4R0.1 COC(Cl)Cl 2376 [0,1,0,0,0,0|2,0,1]=4 78 B4R0.1 CSC(=N)N 20041 [0,1,0,0,0,0|2,0,0]=3 79 B4R0.1 C[C@@H](Cl)CO 8287 [0,1,0,0,0,0|1,0,1]=3 80 B4R0.1 C[C@@H](N)CN 29215 [0,1,0,0,0,0|2,0,1]=4 81 B4R0.1 C[C@@H](N)CO 9884 [0,1,0,0,0,0|1,0,1]=3 82 B4R0.1 C[C@@H](O)CBr 23955 [0,1,0,0,0,0|1,0,1]=3 83 B4R0.1 C[C@@H](O)CCl 14071 [0,1,0,0,0,0|1,0,1]=3 84 B4R0.1 C[C@@H](O)CI 23956 [0,1,0,0,0,0|1,0,1]=3 85 B4R0.1 C[C@@H](O)CN 5721 [0,1,0,0,0,0|1,0,1]=3 86 B4R0.1 C[C@@H](O)CO 5857 [0,1,0,0,0,0|0,0,2]=3 87 B4R0.1 C[C@H](Cl)CO 8285 [0,1,0,0,0,0|1,0,1]=3 88 B4R0.1 C[C@H](N)CN 15232 [0,1,0,0,0,0|2,0,1]=4 89 B4R0.1 C[C@H](N)CO 5710 [0,1,0,0,0,0|1,0,1]=3 90 B4R0.1 C[C@H](O)CBr 20478 [0,1,0,0,0,0|1,0,1]=3 91 B4R0.1 C[C@H](O)CCl 14072 [0,1,0,0,0,0|1,0,1]=3 92 B4R0.1 C[C@H](O)CN 5720 [0,1,0,0,0,0|1,0,1]=3 93 B4R0.1 C[C@H](O)CO 5853 [0,1,0,0,0,0|0,0,2]=3 94 B4R0.1 C\C(N)=N\O 31948 [0,1,0,0,0,0|1,0,0]=2 95 B4R0.1 C\C=C(/C)Br 29073 [0,1,0,0,0,0|2,0,0]=3 96 B4R0.1 N=C(N)CCl 20222 [0,1,0,0,0,0|2,0,0]=3 97 B4R0.1 NC(=O)CBr 31995 [0,1,0,0,0,0|1,0,0]=2 98 B4R0.1 NC(=O)CI 12542 [0,1,0,0,0,0|1,0,0]=2 99 B4R0.1 NCC(=O)O 18924 [0,1,0,0,0,0|0,0,0]=1 100 B4R0.1 NCC(=O)[O-] 26210 [0,1,0,0,0,0|0,0,1]=2 101 B4R0.1 NCC(=O)[O-] 9921 [0,1,0,0,0,0|0,0,1]=2 102 B4R0.1 NCC(N)=O 13019 [0,1,0,0,0,0|1,0,0]=2 103 B4R0.1 NNC(N)=O 15701 [0,1,0,0,0,0|2,0,0]=3 104 B4R0.1 NNC(N)=S 13594 [0,1,0,0,0,0|2,1,0]=4 105 B4R0.1 O=C(Cl)CBr 24880 [0,1,0,0,0,0|1,0,0]=2 106 B4R0.1 O=C(O)CBr 13144 [0,1,0,0,0,0|0,0,0]=1 107 B4R0.1 O=CC(=O)O 19965 [0,1,0,0,0,0|0,0,1]=2 108 B4R0.1 OCC(F)F 26977 [0,1,0,0,0,0|2,0,1]=4 109 B4R0.1 ON=C(Br)Br 18640 [0,1,0,0,0,0|2,0,0]=3 110 B4R0.1 PCC(Cl)Cl 6479 [0,1,0,0,0,0|2,0,1]=4 111 B4R0.1 [C-]#[N+]C(C)C 29396 [0,1,0,0,0,0|2,0,1]=4 112 B4R0.3 CC(C)(C)Br 3814 [0,1,0,0,0,0|2,0,1]=4 113 B4R0.3 CC(C)(C)N 18255 [0,1,0,0,0,0|2,0,1]=4 114 B4R0.3 CC(C)(C)O 3012 [0,1,0,0,0,0|1,0,1]=3 115 B4R0.3 CC(C)(C)[O-] 18949 [0,1,0,0,0,0|1,0,2]=4 116 B4R0.3 CC(C)(C)[O-] 29323 [0,1,0,0,0,0|1,0,2]=4 117 B4R0.3 CC(O)(O)O 21654 [0,1,0,0,0,0|0,0,2]=3 118 B4R0.3 CP(=O)(Cl)Cl 25538 [0,1,0,0,0,0|2,0,0]=3 119 B4R0.3 CS(=O)(=O)Cl 1917 [0,1,0,0,0,0|1,0,1]=3 120 B4R0.3 CS(=O)(=O)O 11149 [0,1,0,0,0,0|1,0,0]=2 121 B4R0.3 CS(=O)(=O)[O-] 11154 [0,1,0,0,0,0|1,0,1]=3 122 B4R0.3 CS(=O)(=O)[O-] 2058 [0,1,0,0,0,0|1,0,1]=3 123 B4R0.3 C[B-](F)(F)F 11284 [0,1,0,0,0,0|3,0,0]=4 124 B4R0.3 C[N+](C)(C)C 29006 [0,1,0,0,0,0|3,0,0]=4 125 B4R0.3 C[N+](C)(C)C 45105 [0,1,0,0,0,0|3,0,0]=4 126 B4R0.3 C[Si](C)(C)C 23760 [0,1,0,0,0,0|2,1,0]=4 127 B4R0.3 C[Si](C)(C)O 26363 [0,1,0,0,0,0|1,1,0]=3 128 B4R0.3 NS(=O)(=O)Cl 21857 [0,1,0,0,0,0|2,0,1]=4 129 B4R0.3 O=I(=O)(=O)O 10330 [0,1,0,0,0,0|2,0,0]=3 130 B4R0.3 O=I(=O)(=O)[O-] 21354 [0,1,0,0,0,0|2,0,1]=4 131 B4R0.3 O=P(Br)(Br)Br 16710 [0,1,0,0,0,0|3,0,0]=4 132 B4R0.3 O=P([O-])([O-])[O-] 32371 [0,1,0,0,0,0|2,0,1]=4 133 B4R0.3 O=P([O-])([O-])[O-] 36056 [0,1,0,0,0,0|2,0,1]=4 134 B4R0.3 O=S(=O)(Cl)Cl 25435 [0,1,0,0,0,0|2,0,1]=4 135 B4R0.3 O=S(=O)(O)O 15719 [0,1,0,0,0,0|2,0,0]=3 136 B4R0.3 O=S(=O)(O)O 23245 [0,1,0,0,0,0|2,0,0]=3 137 B4R0.3 O=S(=O)(O)O 27282 [0,1,0,0,0,0|2,0,0]=3 138 B4R0.3 O=S(=O)(O)O 35641 [0,1,0,0,0,0|2,0,0]=3 139 B4R0.3 O=S(=O)([O-])[O-] 31942 [0,1,0,0,0,0|2,0,1]=4 140 B4R0.3 O=S(=O)([O-])[O-] 31944 [0,1,0,0,0,0|2,0,1]=4 141 B4R0.3 O[Si](O)(O)O 23349 [0,1,0,0,0,0|1,1,1]=4 142 B4R1.2 BrC1CC1 14417 [0,0,0,1,0,0|2,0,1]=4 143 B4R1.2 CC1=CC1 18904 [0,0,0,1,0,0|2,0,0]=3 144 B4R1.2 C[C@@H]1CO1 5829 [0,0,0,1,0,0|1,0,1]=3 145 B4R1.2 C[C@H]1CO1 5828 [0,0,0,1,0,0|1,0,1]=3 146 B4R1.2 OC1CC1 34599 [0,0,0,1,0,0|1,0,1]=3 147 B1R0.1 CF 29083 [2,0,0,0,0,0|1,0,0]=3 148 B1R0.1 CN 29301 [2,0,0,0,0,0|1,0,0]=3 149 B1R0.1 C[S-] 7072 [2,0,0,0,0,0|0,1,0]=3 150 B1R0.1 ClI 21352 [2,0,0,0,0,0|2,0,0]=4 151 B1R0.1 NN 17422 [2,0,0,0,0,0|2,0,0]=4 152 B1R0.1 NN 21005 [2,0,0,0,0,0|2,0,0]=4 153 B1R0.1 NN 26395 [2,0,0,0,0,0|2,0,0]=4 154 B1R0.1 NO 23590 [2,0,0,0,0,0|1,0,0]=3 155 B1R0.1 [C-]#[O+] 35949 [2,0,0,0,0,0|0,0,2]=4 156 B3R0.1 C#CCBr 20264 [1,1,0,0,0,0|1,0,1]=4 157 B3R0.1 C#CCN 18842 [1,1,0,0,0,0|1,0,1]=4 158 B3R0.1 C#CCN 18845 [1,1,0,0,0,0|1,0,1]=4 159 B3R0.1 C=CC=O 23303 [1,1,0,0,0,0|0,0,1]=3 160 B3R0.1 C=CCCl 35025 [1,1,0,0,0,0|1,0,0]=3 161 B3R0.1 C=CCI 12655 [1,1,0,0,0,0|1,0,0]=3 162 B3R0.1 C=CCN 19133 [1,1,0,0,0,0|1,0,0]=3 163 B3R0.1 CCCI 3977 [1,1,0,0,0,0|1,0,1]=4 164 B3R0.1 CCC[S-] 35319 [1,1,0,0,0,0|0,1,1]=4 165 B3R0.1 CCNC 10275 [1,1,0,0,0,0|1,0,1]=4 166 B3R0.1 CCNN 16833 [1,1,0,0,0,0|1,0,1]=4 167 B3R0.1 CCON 35706 [1,1,0,0,0,0|0,0,1]=3 168 B3R0.1 CC[Mg]Br 23799 [1,1,0,0,0,0|1,0,1]=4 169 B3R0.1 CNC=O 35283 [1,1,0,0,0,0|0,0,0]=2 170 B3R0.1 CNOC 25934 [1,1,0,0,0,0|1,0,0]=3 171 B3R0.1 COCBr 23167 [1,1,0,0,0,0|1,0,1]=4 172 B3R0.1 CSSC 9665 [1,1,0,0,0,0|1,1,0]=4 173 B3R0.1 N#CCBr 12656 [1,1,0,0,0,0|1,0,1]=4 174 B3R0.1 N#CCI 12543 [1,1,0,0,0,0|1,0,1]=4 175 B3R0.1 NCCBr 32344 [1,1,0,0,0,0|1,0,1]=4 176 B3R0.1 NCCF 19132 [1,1,0,0,0,0|1,0,1]=4 177 B3R0.1 NCCO 24767 [1,1,0,0,0,0|0,0,1]=3 178 B3R0.1 NNC=O 32333 [1,1,0,0,0,0|1,0,0]=3 179 B3R0.1 SCCS 12844 [1,1,0,0,0,0|0,1,1]=4 180 B5R0.1 C#CCC(C)O 26123 [0,2,0,0,0,0|1,0,1]=4 181 B5R0.1 C=CCB(O)O 24067 [0,2,0,0,0,0|1,0,1]=4 182 B5R0.1 CC#CC(=O)O 16226 [0,2,0,0,0,0|0,0,0]=2 183 B5R0.1 CC(=O)NCO 11062 [0,2,0,0,0,0|0,0,0]=2 184 B5R0.1 CC(=O)\C=N\O 13359 [0,2,0,0,0,0|0,0,0]=2 185 B5R0.1 CC(=O)\C=N\O 31878 [0,2,0,0,0,0|0,0,0]=2 186 B5R0.1 CC(C)=CC=O 3075 [0,2,0,0,0,0|1,0,0]=3 187 B5R0.1 CC(C)=CCBr 35170 [0,2,0,0,0,0|2,0,0]=4 188 B5R0.1 CC(N)CCO 29198 [0,2,0,0,0,0|1,0,1]=4 189 B5R0.1 CCCB(O)O 6019 [0,2,0,0,0,0|1,0,1]=4 190 B5R0.1 CCCC(=N)N 16315 [0,2,0,0,0,0|2,0,0]=4 191 B5R0.1 CCCC(=O)Cl 13241 [0,2,0,0,0,0|1,0,0]=3 192 B5R0.1 CCC[C@@H](C)O 6721 [0,2,0,0,0,0|1,0,1]=4 193 B5R0.1 CCC[C@H](C)O 6719 [0,2,0,0,0,0|1,0,1]=4 194 B5R0.1 CCOC(=S)[S-] 36079 [0,2,0,0,0,0|0,2,0]=4 195 B5R0.1 CCOC(C)=N 2020 [0,2,0,0,0,0|1,0,0]=3 196 B5R0.1 CCSC(C)=S 12459 [0,2,0,0,0,0|0,2,0]=4 197 B5R0.1 CN(C)CC=O 26115 [0,2,0,0,0,0|2,0,0]=4 198 B5R0.1 CNCC(=O)O 10995 [0,2,0,0,0,0|0,0,0]=2 199 B5R0.1 COCC(C)O 1904 [0,2,0,0,0,0|0,0,2]=4 200 B5R0.1 COC[C@@H](C)O 6714 [0,2,0,0,0,0|0,0,2]=4 201 B5R0.1 COC[C@H](C)O 6715 [0,2,0,0,0,0|0,0,2]=4 202 B5R0.1 C[C@@H](O)CCO 6724 [0,2,0,0,0,0|0,0,2]=4 203 B5R0.1 C[C@H](O)CCO 6722 [0,2,0,0,0,0|0,0,2]=4 204 B5R0.1 C\C=C\B(O)O 6022 [0,2,0,0,0,0|1,0,1]=4 205 B5R0.1 N#CCC(=O)O 20139 [0,2,0,0,0,0|0,0,0]=2 206 B5R0.1 NCCC(=O)O 10996 [0,2,0,0,0,0|0,0,0]=2 207 B5R0.1 NCCC(N)=O 18936 [0,2,0,0,0,0|1,0,0]=3 208 B5R0.1 O=C(Cl)CCBr 31904 [0,2,0,0,0,0|1,0,0]=3 209 B5R0.1 O=C(Cl)CCCl 13691 [0,2,0,0,0,0|1,0,0]=3 210 B5R0.1 O=C(O)CCCl 13689 [0,2,0,0,0,0|0,0,0]=2 211 B5R0.1 O=C(O)CCO 12598 [0,2,0,0,0,0|0,0,0]=2 212 B5R0.1 O=C(O)CCS 36422 [0,2,0,0,0,0|0,0,0]=2 213 B5R0.1 O=C(O)\C=C\Cl 35750 [0,2,0,0,0,0|0,0,1]=3 214 B5R0.1 O=C(O)\C=C\I 11671 [0,2,0,0,0,0|0,0,1]=3 215 B5R0.1 O=[N+]([O-])CCO 14208 [0,2,0,0,0,0|1,0,1]=4 216 B5R0.3 C#CC(=O)OC 13736 [0,2,0,0,0,0|0,0,1]=3 217 B5R0.3 C#CC(O)CC 26391 [0,2,0,0,0,0|1,0,1]=4 218 B5R0.3 C=CC(=O)CBr 13741 [0,2,0,0,0,0|1,0,0]=3 219 B5R0.3 C=CC(=O)CO 32353 [0,2,0,0,0,0|0,0,1]=3 220 B5R0.3 C=C[C@H](O)CO 19971 [0,2,0,0,0,0|1,0,1]=4 221 B5R0.3 CCC(N)CO 14779 [0,2,0,0,0,0|1,0,1]=4 222 B5R0.3 CC[C@@H](O)CO 14093 [0,2,0,0,0,0|0,0,2]=4 223 B5R0.3 CC[C@H](O)CO 14096 [0,2,0,0,0,0|0,0,2]=4 224 B5R0.3 CNC(=S)NN 10768 [0,2,0,0,0,0|1,1,0]=4 225 B5R0.3 COC(=O)CN 10899 [0,2,0,0,0,0|0,0,0]=2 226 B5R0.3 COC(=O)CS 10788 [0,2,0,0,0,0|0,0,0]=2 227 B5R0.3 COC(=O)NN 17404 [0,2,0,0,0,0|1,0,0]=3 228 B5R0.3 CO[C@@H](C)CN 17733 [0,2,0,0,0,0|1,0,1]=4 229 B5R0.3 CO[C@@H](C)CN 17747 [0,2,0,0,0,0|1,0,1]=4 230 B5R0.3 CO[C@@H](C)CO 26646 [0,2,0,0,0,0|0,0,2]=4 231 B5R0.3 CO[C@H](C)CN 17734 [0,2,0,0,0,0|1,0,1]=4 232 B5R0.3 CO[C@H](C)CN 17748 [0,2,0,0,0,0|1,0,1]=4 233 B5R0.3 CSC(=S)NN 35538 [0,2,0,0,0,0|1,1,0]=4 234 B5R0.3 NC(CO)CO 11931 [0,2,0,0,0,0|1,0,1]=4 235 B5R0.3 NC[C@@H](O)CO 5711 [0,2,0,0,0,0|0,0,2]=4 236 B5R0.3 NC[C@H](O)CCl 34211 [0,2,0,0,0,0|1,0,1]=4 237 B5R0.3 NC[C@H](O)CO 5712 [0,2,0,0,0,0|0,0,2]=4 238 B5R0.3 NNC(=O)NN 44870 [0,2,0,0,0,0|2,0,0]=4 239 B5R0.3 O=C(CO)CO 4053 [0,2,0,0,0,0|0,0,0]=2 240 B5R0.3 O=CC(O)CO 13962 [0,2,0,0,0,0|0,0,1]=3 241 B5R0.3 O=C[C@@H](O)CO 6339 [0,2,0,0,0,0|0,0,1]=3 242 B5R0.3 O=C[C@@H](O)CO 6340 [0,2,0,0,0,0|0,0,1]=3 243 B5R0.3 O=C[C@H](O)CO 6338 [0,2,0,0,0,0|0,0,1]=3 244 B5R0.3 OC(CCl)CCl 5871 [0,2,0,0,0,0|1,0,1]=4 245 B5R0.3 OCC(O)CCl 21311 [0,2,0,0,0,0|0,0,2]=4 246 B5R0.3 OCC(O)CO 16092 [0,2,0,0,0,0|0,0,2]=4 247 B5R0.3 OC[C@@H](O)CCl 5741 [0,2,0,0,0,0|0,0,2]=4 248 B5R0.3 OC[C@H](O)CCl 5740 [0,2,0,0,0,0|0,0,2]=4 249 B5R0.4 C=CC(C)(C)O 36012 [0,2,0,0,0,0|1,0,1]=4 250 B5R0.4 CC(C)(C)C=O 1910 [0,2,0,0,0,0|1,0,1]=4 251 B5R0.4 CC(C)(C)N=O 45117 [0,2,0,0,0,0|1,0,1]=4 252 B5R0.4 CC(C)(C)ON 19621 [0,2,0,0,0,0|1,0,1]=4 253 B5R0.4 CC(C)(N)CO 2208 [0,2,0,0,0,0|1,0,1]=4 254 B5R0.4 CC(C)(O)CCl 3675 [0,2,0,0,0,0|1,0,1]=4 255 B5R0.4 CC(C)(O)CN 32121 [0,2,0,0,0,0|1,0,1]=4 256 B5R0.4 CC(F)(F)CO 35038 [0,2,0,0,0,0|1,0,1]=4 257 B5R0.4 CCC(C)(C)O 21405 [0,2,0,0,0,0|1,0,1]=4 258 B5R0.4 CNS(C)(=O)=O 23217 [0,2,0,0,0,0|1,0,1]=4 259 B5R0.4 COS(=O)(=O)F 35888 [0,2,0,0,0,0|1,0,1]=4 260 B5R0.4 CSS(C)(=O)=O 14140 [0,2,0,0,0,0|1,0,1]=4 261 B5R0.4 NCP(=O)(O)O 44877 [0,2,0,0,0,0|1,0,0]=3 262 B5R0.4 NOS(=O)(=O)O 22758 [0,2,0,0,0,0|2,0,0]=4 263 B5R0.4 O=S(=O)(Cl)CCl 12506 [0,2,0,0,0,0|1,0,1]=4 264 B5R0.4 O=S(=O)([O-])CO 12961 [0,2,0,0,0,0|1,0,1]=4 265 B5R0.5 C=C(C)B(O)O 29476 [0,2,0,0,0,0|1,0,0]=3 266 B5R0.5 C=C(C)C(=C)C 36156 [0,2,0,0,0,0|2,0,0]=4 267 B5R0.5 C=C(C)C(=O)Cl 45061 [0,2,0,0,0,0|1,0,0]=3 268 B5R0.5 C=C(C)C(=O)[O-] 13118 [0,2,0,0,0,0|0,0,1]=3 269 B5R0.5 C=C(C)C(=O)[O-] 13119 [0,2,0,0,0,0|0,0,1]=3 270 B5R0.5 C=C(C)C(=O)[O-] 21062 [0,2,0,0,0,0|0,0,1]=3 271 B5R0.5 C=C(C)C(=O)[O-] 21065 [0,2,0,0,0,0|0,0,1]=3 272 B5R0.5 CC(=O)C(=O)O 18177 [0,2,0,0,0,0|0,0,0]=2 273 B5R0.5 CC(=O)C(C)Br 12679 [0,2,0,0,0,0|1,0,0]=3 274 B5R0.5 CC(Br)C(=O)Cl 35707 [0,2,0,0,0,0|1,0,0]=3 275 B5R0.5 CC(C)B(O)O 7987 [0,2,0,0,0,0|1,0,1]=4 276 B5R0.5 CC(C)C(=O)Cl 18648 [0,2,0,0,0,0|1,0,0]=3 277 B5R0.5 CC(C)C(C)O 32297 [0,2,0,0,0,0|1,0,1]=4 278 B5R0.5 CC(C)C(N)=O 21345 [0,2,0,0,0,0|1,0,0]=3 279 B5R0.5 CC(Cl)C(=O)O 5746 [0,2,0,0,0,0|0,0,0]=2 280 B5R0.5 CC(F)C(=O)O 13698 [0,2,0,0,0,0|0,0,0]=2 281 B5R0.5 CC(N)B(O)O 33616 [0,2,0,0,0,0|1,0,1]=4 282 B5R0.5 CC(N)C(=O)O 11009 [0,2,0,0,0,0|0,0,0]=2 283 B5R0.5 CC(O)C(=O)O 30331 [0,2,0,0,0,0|0,0,0]=2 284 B5R0.5 CC(O)C(=O)[O-] 20459 [0,2,0,0,0,0|0,0,1]=3 285 B5R0.5 CN(C)C(=N)N 19198 [0,2,0,0,0,0|2,0,0]=4 286 B5R0.5 CN(C)C(=O)Cl 29326 [0,2,0,0,0,0|1,0,0]=3 287 B5R0.5 CN(C)C(=S)Cl 35206 [0,2,0,0,0,0|1,1,0]=4 288 B5R0.5 C[C@@H](Br)C(=O)O 26125 [0,2,0,0,0,0|0,0,0]=2 289 B5R0.5 C[C@@H](Cl)C(=O)O 5747 [0,2,0,0,0,0|0,0,0]=2 290 B5R0.5 C[C@@H](N)B(O)O 33655 [0,2,0,0,0,0|1,0,1]=4 291 B5R0.5 C[C@@H](N)C(=O)O 11002 [0,2,0,0,0,0|0,0,0]=2 292 B5R0.5 C[C@@H](N)C(N)=O 12667 [0,2,0,0,0,0|1,0,0]=3 293 B5R0.5 C[C@@H](O)C(=O)O 16738 [0,2,0,0,0,0|0,0,0]=2 294 B5R0.5 C[C@H](Br)C(=O)O 8278 [0,2,0,0,0,0|0,0,0]=2 295 B5R0.5 C[C@H](N)B(O)O 33647 [0,2,0,0,0,0|1,0,1]=4 296 B5R0.5 C[C@H](N)C(=O)O 12862 [0,2,0,0,0,0|0,0,0]=2 297 B5R0.5 C[C@H](N)C(N)=O 5715 [0,2,0,0,0,0|1,0,0]=3 298 B5R0.5 C[C@H](O)C(=O)O 26021 [0,2,0,0,0,0|0,0,0]=2 299 B5R0.5 C[N+](C)=C(Cl)Cl 32209 [0,2,0,0,0,0|2,0,0]=4 300 B5R0.5 NC(=O)C(N)=O 17273 [0,2,0,0,0,0|1,0,1]=4 301 B5R0.5 NC(=S)[NH2+](=O)[O-] 18093 [0,2,0,0,0,0|1,1,0]=4 302 B5R0.5 O=C(O)C(=O)O 17416 [0,2,0,0,0,0|0,0,1]=3 303 B5R0.5 O=C(O)C(=O)O 22393 [0,2,0,0,0,0|0,0,1]=3 304 B5R0.5 O=C(O)C(F)F 12637 [0,2,0,0,0,0|0,0,0]=2 305 B5R0.5 O=C([O-])C(Cl)Cl 27176 [0,2,0,0,0,0|0,0,1]=3 306 B5R0.5 [*]C(=O)[C@H](C)N 24898 [0,2,0,0,0,0|1,0,0]=3 307 B5R1.2 BrC1COC1 35713 [0,1,0,1,0,0|1,0,1]=4 308 B5R1.2 IC1COC1 29373 [0,1,0,1,0,0|1,0,1]=4 309 B5R1.2 NC1COC1 20414 [0,1,0,1,0,0|1,0,1]=4 310 B5R1.2 O=C1CCC1 9021 [0,1,0,1,0,0|1,0,0]=3 311 B5R1.2 O=C1CCO1 2546 [0,1,0,1,0,0|0,0,0]=2 312 B5R1.2 O=C1COC1 15880 [0,1,0,1,0,0|0,0,0]=2 313 B5R1.2 O=C1CSC1 25389 [0,1,0,1,0,0|0,1,0]=3 314 B5R1.2 OC1CCC1 27295 [0,1,0,1,0,0|1,0,1]=4 315 B5R1.2 OC1CNC1 10157 [0,1,0,1,0,0|1,0,1]=4 316 B5R1.2 OC1CNC1 12930 [0,1,0,1,0,0|1,0,1]=4 317 B5R1.2 OC1COC1 17367 [0,1,0,1,0,0|0,0,2]=4 318 B5R1.3 BrCC1CO1 21362 [0,1,0,1,0,0|1,0,1]=4 319 B5R1.3 C=CC1CO1 23575 [0,1,0,1,0,0|1,0,1]=4 320 B5R1.3 CC[C@@H]1CO1 14098 [0,1,0,1,0,0|1,0,1]=4 321 B5R1.3 CC[C@H]1CO1 14100 [0,1,0,1,0,0|1,0,1]=4 322 B5R1.3 ClCC1CO1 5779 [0,1,0,1,0,0|1,0,1]=4 323 B5R1.3 ClCC1CO1 5780 [0,1,0,1,0,0|1,0,1]=4 324 B5R1.3 O=CC1CC1 12460 [0,1,0,1,0,0|1,0,1]=4 325 B5R1.3 OCC1CC1 9773 [0,1,0,1,0,0|1,0,1]=4 326 B5R1.3 OCC1CO1 21960 [0,1,0,1,0,0|0,0,2]=4 327 B5R1.3 OC[C@@H]1CO1 5832 [0,1,0,1,0,0|0,0,2]=4 328 B5R1.3 OC[C@H]1CO1 5836 [0,1,0,1,0,0|0,0,2]=4 329 B5R1.4 CC1OC1C 35217 [0,1,0,1,0,0|1,0,1]=4 330 B5R1.5 CC1(C)CO1 12772 [0,1,0,1,0,0|1,0,1]=4