0 B4R0.2 C#CCCO 13071 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C#CCOC 35042 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 C#COCC 12592 [0,0,0,0,0,0|1,0,1]=2 3 B4R0.2 C=CCCN 10268 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.2 C=CCCN 36002 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.2 C=CCCO 18909 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.2 C=CC[Pd]Cl 16020 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.2 C=COCC 18645 [0,0,0,0,0,0|1,0,0]=1 8 B4R0.2 CC#CCO 13061 [0,0,0,0,0,0|1,0,3]=4 9 B4R0.2 CCCCBr 3752 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.2 CCCCI 3939 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.2 CCN=C=O 18636 [0,0,0,0,0,0|1,0,1]=2 12 B4R0.2 CCNCC 14036 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.2 CCNCC 17237 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.2 CCOCCl 18683 [0,0,0,0,0,0|1,0,1]=2 15 B4R0.2 CC[B+]CC 26091 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.2 CNCC#N 35842 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.2 CNCCCl 35179 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.2 CNCCN 4020 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.2 COCC#N 28756 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.2 COCCBr 2138 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.2 COCCCl 1911 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.2 COCCO 35138 [0,0,0,0,0,0|2,0,2]=4 23 B4R0.2 CSCCCl 35891 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.2 CSCCN 19131 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.2 CSCCO 10846 [0,0,0,0,0,0|2,0,2]=4 26 B4R0.2 C\C=C\CC 19602 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.2 C\C=C\CO 21075 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.2 ICCCI 3858 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.2 N#CCC=O 18435 [0,0,0,0,0,0|2,0,1]=3 30 B4R0.2 N#CCCBr 25994 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.2 N#CCCN 19134 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.2 N#CCCO 22156 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.2 NCCCBr 18801 [0,0,0,0,0,0|3,0,1]=4 34 B4R0.2 NCCCN 10839 [0,0,0,0,0,0|3,0,1]=4 35 B4R0.2 NNCCO 45109 [0,0,0,0,0,0|4,0,0]=4 36 B4R0.2 O=[Dy]O[Dy]=O 24590 [0,0,0,0,0,0|3,0,0]=3 37 B3R0.1 C#CCBr 20264 [1,0,0,0,0,0|2,0,1]=4 38 B3R0.1 C#CCN 18842 [1,0,0,0,0,0|2,0,1]=4 39 B3R0.1 C#CCN 18845 [1,0,0,0,0,0|2,0,1]=4 40 B3R0.1 C=CC=O 23303 [1,0,0,0,0,0|0,0,2]=3 41 B3R0.1 C=CCCl 35025 [1,0,0,0,0,0|2,0,0]=3 42 B3R0.1 C=CCI 12655 [1,0,0,0,0,0|2,0,0]=3 43 B3R0.1 C=CCN 19133 [1,0,0,0,0,0|2,0,0]=3 44 B3R0.1 CCCI 3977 [1,0,0,0,0,0|1,0,1]=3 45 B3R0.1 CCC[S-] 35319 [1,0,0,0,0,0|0,1,1]=3 46 B3R0.1 CCNC 10275 [1,0,0,0,0,0|1,0,1]=3 47 B3R0.1 CCNN 16833 [1,0,0,0,0,0|2,0,0]=3 48 B3R0.1 CCON 35706 [1,0,0,0,0,0|1,0,0]=2 49 B3R0.1 CC[Mg]Br 23799 [1,0,0,0,0,0|2,0,0]=3 50 B3R0.1 CNC=O 35283 [1,0,0,0,0,0|1,0,0]=2 51 B3R0.1 CNOC 25934 [1,0,0,0,0,0|1,0,1]=3 52 B3R0.1 COCBr 23167 [1,0,0,0,0,0|1,0,1]=3 53 B3R0.1 CSSC 9665 [1,0,0,0,0,0|1,1,1]=4 54 B3R0.1 N#CCBr 12656 [1,0,0,0,0,0|2,0,1]=4 55 B3R0.1 N#CCI 12543 [1,0,0,0,0,0|2,0,1]=4 56 B3R0.1 NCCBr 32344 [1,0,0,0,0,0|2,0,1]=4 57 B3R0.1 NCCF 19132 [1,0,0,0,0,0|2,0,1]=4 58 B3R0.1 NCCO 24767 [1,0,0,0,0,0|1,0,2]=4 59 B3R0.1 NNC=O 32333 [1,0,0,0,0,0|2,0,0]=3 60 B3R0.1 SCCS 12844 [1,0,0,0,0,0|1,1,1]=4 61 B5R0.1 C#CCC(C)O 26123 [0,1,0,0,0,0|2,0,1]=4 62 B5R0.1 CC#CC(=O)O 16226 [0,1,0,0,0,0|1,0,1]=3 63 B5R0.1 CC(=O)NCO 11062 [0,1,0,0,0,0|2,0,0]=3 64 B5R0.1 CC(=O)\C=N\O 13359 [0,1,0,0,0,0|3,0,0]=4 65 B5R0.1 CC(=O)\C=N\O 31878 [0,1,0,0,0,0|3,0,0]=4 66 B5R0.1 CC(Br)CCBr 3866 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.1 CC(C)=CC=O 3075 [0,1,0,0,0,0|1,0,1]=3 68 B5R0.1 CC(C)=CCBr 35170 [0,1,0,0,0,0|3,0,0]=4 69 B5R0.1 CC(C)CCI 3950 [0,1,0,0,0,0|2,0,1]=4 70 B5R0.1 CC(C)CNN 18739 [0,1,0,0,0,0|3,0,0]=4 71 B5R0.1 CC(C)N=C=S 16501 [0,1,0,0,0,0|1,1,1]=4 72 B5R0.1 CC(N)CCO 29198 [0,1,0,0,0,0|1,0,2]=4 73 B5R0.1 CCCB(O)O 6019 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 CCCC(=N)N 16315 [0,1,0,0,0,0|2,0,0]=3 75 B5R0.1 CCCC(=O)Cl 13241 [0,1,0,0,0,0|1,0,0]=2 76 B5R0.1 CCCC(C)N 26317 [0,1,0,0,0,0|2,0,1]=4 77 B5R0.1 CCC[C@@H](C)O 6721 [0,1,0,0,0,0|1,0,2]=4 78 B5R0.1 CCC[C@H](C)O 6719 [0,1,0,0,0,0|1,0,2]=4 79 B5R0.1 CCNC(C)C 10283 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.1 CCOC(=S)[S-] 36079 [0,1,0,0,0,0|0,1,0]=2 81 B5R0.1 CCOC(C)=N 2020 [0,1,0,0,0,0|1,0,0]=2 82 B5R0.1 CCSC(C)=S 12459 [0,1,0,0,0,0|0,2,0]=3 83 B5R0.1 CN(C)CC=O 26115 [0,1,0,0,0,0|2,0,0]=3 84 B5R0.1 CNCC(=O)O 10995 [0,1,0,0,0,0|2,0,0]=3 85 B5R0.1 COCC(C)O 1904 [0,1,0,0,0,0|3,0,0]=4 86 B5R0.1 COC[C@@H](C)O 6714 [0,1,0,0,0,0|3,0,0]=4 87 B5R0.1 COC[C@H](C)O 6715 [0,1,0,0,0,0|3,0,0]=4 88 B5R0.1 C[C@@H](O)CCO 6724 [0,1,0,0,0,0|1,0,2]=4 89 B5R0.1 C[C@H](O)CCO 6722 [0,1,0,0,0,0|1,0,2]=4 90 B5R0.1 N#CCC(=O)O 20139 [0,1,0,0,0,0|2,0,1]=4 91 B5R0.1 NCCC(=O)O 10996 [0,1,0,0,0,0|2,0,0]=3 92 B5R0.1 NCCC(N)=O 18936 [0,1,0,0,0,0|2,0,0]=3 93 B5R0.1 O=C(Cl)CCBr 31904 [0,1,0,0,0,0|2,0,0]=3 94 B5R0.1 O=C(Cl)CCCl 13691 [0,1,0,0,0,0|2,0,0]=3 95 B5R0.1 O=C(O)CCCl 13689 [0,1,0,0,0,0|2,0,0]=3 96 B5R0.1 O=C(O)CCO 12598 [0,1,0,0,0,0|2,0,0]=3 97 B5R0.1 O=C(O)CCS 36422 [0,1,0,0,0,0|2,0,0]=3 98 B5R0.1 O=C(O)\C=C\Cl 35750 [0,1,0,0,0,0|2,0,1]=4 99 B5R0.1 O=C(O)\C=C\I 11671 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.1 O=[N+]([O-])CCO 14208 [0,1,0,0,0,0|3,0,0]=4 101 B5R0.2 BrCCCCBr 3870 [0,1,0,0,0,0|2,0,1]=4 102 B5R0.2 BrC\C=C\CBr 9987 [0,1,0,0,0,0|3,0,0]=4 103 B5R0.2 C#CCCCC 13057 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.2 C#CCCCCl 34956 [0,1,0,0,0,0|2,0,1]=4 105 B5R0.2 C#CCCCO 2025 [0,1,0,0,0,0|2,0,1]=4 106 B5R0.2 C=COCCCl 17316 [0,1,0,0,0,0|1,0,0]=2 107 B5R0.2 CCC#CCBr 35958 [0,1,0,0,0,0|2,0,1]=4 108 B5R0.2 CCCC#CO 13063 [0,1,0,0,0,0|1,0,2]=4 109 B5R0.2 CCCCCI 3960 [0,1,0,0,0,0|2,0,1]=4 110 B5R0.2 CCCNCC 10270 [0,1,0,0,0,0|2,0,1]=4 111 B5R0.2 CCOCCBr 12476 [0,1,0,0,0,0|1,0,1]=3 112 B5R0.2 CCOCCCl 1932 [0,1,0,0,0,0|1,0,1]=3 113 B5R0.2 CNCCCN 26279 [0,1,0,0,0,0|2,0,1]=4 114 B5R0.2 CNCCCO 30456 [0,1,0,0,0,0|1,0,2]=4 115 B5R0.2 CNCCNC 31976 [0,1,0,0,0,0|3,0,0]=4 116 B5R0.2 COCCC#N 24839 [0,1,0,0,0,0|2,0,1]=4 117 B5R0.2 COCCC=O 24309 [0,1,0,0,0,0|1,0,0]=2 118 B5R0.2 COCCCBr 11240 [0,1,0,0,0,0|2,0,1]=4 119 B5R0.2 COCCCCl 18632 [0,1,0,0,0,0|2,0,1]=4 120 B5R0.2 COCCCN 16804 [0,1,0,0,0,0|2,0,1]=4 121 B5R0.2 COCCCO 1936 [0,1,0,0,0,0|1,0,2]=4 122 B5R0.2 COCCOC 18652 [0,1,0,0,0,0|3,0,0]=4 123 B5R0.2 CO\C=C\C#N 24705 [0,1,0,0,0,0|3,0,0]=4 124 B5R0.2 ClCCCCBr 36136 [0,1,0,0,0,0|2,0,1]=4 125 B5R0.2 ClC\C=C\CCl 18743 [0,1,0,0,0,0|3,0,0]=4 126 B5R0.2 ClC\C=C\CCl 29077 [0,1,0,0,0,0|3,0,0]=4 127 B5R0.2 ICCCCI 3842 [0,1,0,0,0,0|2,0,1]=4 128 B5R0.2 N#CCCCBr 28726 [0,1,0,0,0,0|2,0,1]=4 129 B5R0.2 N#CCCCCl 26537 [0,1,0,0,0,0|2,0,1]=4 130 B5R0.2 NCCCCN 25424 [0,1,0,0,0,0|2,0,1]=4 131 B5R0.2 NC\C=C\CCl 25442 [0,1,0,0,0,0|3,0,0]=4 132 B5R0.2 OCCCCCl 17292 [0,1,0,0,0,0|1,0,2]=4 133 B5R0.2 OCCCCCl 23235 [0,1,0,0,0,0|1,0,2]=4 134 B5R0.2 OC\C=C\CCl 29079 [0,1,0,0,0,0|2,0,1]=4 135 B5R0.2 OC\C=C\CO 13982 [0,1,0,0,0,0|2,0,1]=4 136 B5R0.2 O\C=C\CCO 35113 [0,1,0,0,0,0|1,0,1]=3 137 B5R0.3 C#CC(O)CC 26391 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.3 C=CC(=O)CBr 13741 [0,1,0,0,0,0|3,0,0]=4 139 B5R0.3 C=CC(=O)CO 32353 [0,1,0,0,0,0|3,0,0]=4 140 B5R0.3 C=C[C@H](O)CO 19971 [0,1,0,0,0,0|3,0,0]=4 141 B5R0.3 CCC(N)CO 14779 [0,1,0,0,0,0|1,0,2]=4 142 B5R0.3 CCP(Cl)CC 6480 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.3 CC[C@@H](O)CO 14093 [0,1,0,0,0,0|1,0,2]=4 144 B5R0.3 CC[C@H](C)C#N 32183 [0,1,0,0,0,0|2,0,1]=4 145 B5R0.3 CC[C@H](C)CN 16256 [0,1,0,0,0,0|2,0,1]=4 146 B5R0.3 CC[C@H](O)CO 14096 [0,1,0,0,0,0|1,0,2]=4 147 B5R0.3 O=CC(Cl)C=O 27131 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.3 O=CC(O)CO 13962 [0,1,0,0,0,0|2,0,0]=3 149 B5R0.3 O=C[C@@H](O)CO 6339 [0,1,0,0,0,0|2,0,0]=3 150 B5R0.3 O=C[C@@H](O)CO 6340 [0,1,0,0,0,0|2,0,0]=3 151 B5R0.3 O=C[C@H](O)CO 6338 [0,1,0,0,0,0|2,0,0]=3 152 B5R1.1 C1=CCNC1 18771 [0,0,0,1,0,0|3,0,0]=4 153 B5R1.1 C1=CCNC1 29078 [0,0,0,1,0,0|3,0,0]=4 154 B5R1.1 C1=CCOC1 3987 [0,0,0,1,0,0|1,0,2]=4 155 B5R1.1 C1=COC=N1 8626 [0,0,0,1,0,0|1,0,2]=4 156 B5R1.1 C1=COCC1 12854 [0,0,0,1,0,0|1,0,0]=2 157 B5R1.1 C1=CON=C1 8623 [0,0,0,1,0,0|2,0,1]=4 158 B5R1.1 C1=NCCO1 24989 [0,0,0,1,0,0|1,0,0]=2 159 B5R1.1 C1=NCCO1 8622 [0,0,0,1,0,0|1,0,0]=2 160 B5R1.1 C1CCNC1 19143 [0,0,0,1,0,0|2,0,1]=4 161 B5R1.1 C1CCOC1 12766 [0,0,0,1,0,0|1,0,1]=3 162 B5R1.1 C1CSCN1 35964 [0,0,0,1,0,0|1,1,1]=4 163 B5R1.1 C1CSCN1 36265 [0,0,0,1,0,0|1,1,1]=4 164 B5R1.2 NC1CCC1 11047 [0,0,0,1,0,0|2,0,1]=4 165 B5R1.2 NC1CCC1 35736 [0,0,0,1,0,0|2,0,1]=4 166 B5R1.2 O=C1CCC1 9021 [0,0,0,1,0,0|1,0,0]=2 167 B5R1.2 O=C1CCO1 2546 [0,0,0,1,0,0|0,0,0]=1 168 B5R1.2 O=C1COC1 15880 [0,0,0,1,0,0|2,0,0]=3 169 B5R1.2 O=C1CSC1 25389 [0,0,0,1,0,0|2,0,0]=3 170 B5R1.2 OC1CCC1 27295 [0,0,0,1,0,0|1,0,2]=4 171 B5R1.3 BrCC1CC1 13771 [0,0,0,1,0,0|2,0,1]=4 172 B5R1.3 C=CC1CO1 23575 [0,0,0,1,0,0|3,0,0]=4 173 B5R1.3 CC[C@@H]1CO1 14098 [0,0,0,1,0,0|1,0,2]=4 174 B5R1.3 CC[C@H]1CO1 14100 [0,0,0,1,0,0|1,0,2]=4 175 B5R1.3 ClCC1CC1 10983 [0,0,0,1,0,0|2,0,1]=4 176 B5R1.3 NNC1CC1 45053 [0,0,0,1,0,0|3,0,0]=4 177 B5R1.3 O=CC1CC1 12460 [0,0,0,1,0,0|1,0,0]=2 178 B5R1.3 OCC1CC1 9773 [0,0,0,1,0,0|1,0,2]=4 179 B5R1.4 CC1OC1C 35217 [0,0,0,1,0,0|1,0,1]=3 180 B2R0.1 CCI 21355 [2,0,0,0,0,0|1,0,0]=3 181 B2R0.1 CCN 45201 [2,0,0,0,0,0|1,0,0]=3 182 B2R0.1 CC[O-] 26132 [2,0,0,0,0,0|0,0,1]=3 183 B2R0.1 CNC 18186 [2,0,0,0,0,0|1,0,1]=4 184 B2R0.1 CSC 14218 [2,0,0,0,0,0|0,1,1]=4 185 B2R0.1 CSC 36251 [2,0,0,0,0,0|0,1,1]=4 186 B2R0.1 C[Mg]Br 20745 [2,0,0,0,0,0|2,0,0]=4 187 B2R0.1 ClCBr 2209 [2,0,0,0,0,0|2,0,0]=4 188 B2R0.1 FCBr 2382 [2,0,0,0,0,0|2,0,0]=4 189 B2R0.1 FCCl 35673 [2,0,0,0,0,0|2,0,0]=4 190 B2R0.1 O=[PH2][O-] 12707 [2,0,0,0,0,0|1,0,1]=4 191 B4R0.1 C#CC(=O)O 23201 [1,1,0,0,0,0|0,0,2]=4 192 B4R0.1 C#CC(C)=O 2024 [1,1,0,0,0,0|0,0,2]=4 193 B4R0.1 C#C[C@@H](C)O 20211 [1,1,0,0,0,0|1,0,1]=4 194 B4R0.1 C=C(C)CCl 20429 [1,1,0,0,0,0|2,0,0]=4 195 B4R0.1 C=CC(=O)O 21090 [1,1,0,0,0,0|0,0,2]=4 196 B4R0.1 C=CC(N)=O 14147 [1,1,0,0,0,0|0,0,2]=4 197 B4R0.1 CC(=O)CBr 24199 [1,1,0,0,0,0|1,0,0]=3 198 B4R0.1 CC(C)=CBr 29713 [1,1,0,0,0,0|1,0,1]=4 199 B4R0.1 CC(C)CI 3951 [1,1,0,0,0,0|1,0,1]=4 200 B4R0.1 CC(C)NN 26972 [1,1,0,0,0,0|2,0,0]=4 201 B4R0.1 CC(O)CBr 12555 [1,1,0,0,0,0|1,0,1]=4 202 B4R0.1 CC=C(C)C 2026 [1,1,0,0,0,0|1,0,1]=4 203 B4R0.1 CCB(O)O 7960 [1,1,0,0,0,0|1,0,1]=4 204 B4R0.1 CCC(C)Br 3753 [1,1,0,0,0,0|1,0,1]=4 205 B4R0.1 CCC(C)I 3940 [1,1,0,0,0,0|1,0,1]=4 206 B4R0.1 CCC(C)O 6718 [1,1,0,0,0,0|0,0,2]=4 207 B4R0.1 CCC([NH-])=O 10938 [1,1,0,0,0,0|0,0,0]=2 208 B4R0.1 CCN(C)C 10322 [1,1,0,0,0,0|1,0,1]=4 209 B4R0.1 CCS(=O)[O-] 24643 [1,1,0,0,0,0|0,1,0]=3 210 B4R0.1 CC[C@@H](C)N 6741 [1,1,0,0,0,0|1,0,1]=4 211 B4R0.1 CC[C@@H](C)O 6717 [1,1,0,0,0,0|0,0,2]=4 212 B4R0.1 CC[C@H](C)N 6743 [1,1,0,0,0,0|1,0,1]=4 213 B4R0.1 CN(C)C=O 23341 [1,1,0,0,0,0|1,0,0]=3 214 B4R0.1 CNC(C)C 10279 [1,1,0,0,0,0|1,0,1]=4 215 B4R0.1 CNC(N)=S 35584 [1,1,0,0,0,0|1,1,0]=4 216 B4R0.1 COC(C)=N 2122 [1,1,0,0,0,0|1,0,0]=3 217 B4R0.1 COC(Cl)Cl 2376 [1,1,0,0,0,0|1,0,1]=4 218 B4R0.1 CSC(=N)N 20041 [1,1,0,0,0,0|1,1,0]=4 219 B4R0.1 C[C@@H](Cl)CO 8287 [1,1,0,0,0,0|0,0,2]=4 220 B4R0.1 C[C@@H](N)CN 29215 [1,1,0,0,0,0|1,0,1]=4 221 B4R0.1 C[C@@H](N)CO 9884 [1,1,0,0,0,0|0,0,2]=4 222 B4R0.1 C[C@@H](O)CBr 23955 [1,1,0,0,0,0|1,0,1]=4 223 B4R0.1 C[C@@H](O)CCl 14071 [1,1,0,0,0,0|1,0,1]=4 224 B4R0.1 C[C@@H](O)CI 23956 [1,1,0,0,0,0|1,0,1]=4 225 B4R0.1 C[C@@H](O)CN 5721 [1,1,0,0,0,0|1,0,1]=4 226 B4R0.1 C[C@@H](O)CO 5857 [1,1,0,0,0,0|0,0,2]=4 227 B4R0.1 C[C@H](Cl)CO 8285 [1,1,0,0,0,0|0,0,2]=4 228 B4R0.1 C[C@H](N)CN 15232 [1,1,0,0,0,0|1,0,1]=4 229 B4R0.1 C[C@H](N)CO 5710 [1,1,0,0,0,0|0,0,2]=4 230 B4R0.1 C[C@H](O)CBr 20478 [1,1,0,0,0,0|1,0,1]=4 231 B4R0.1 C[C@H](O)CCl 14072 [1,1,0,0,0,0|1,0,1]=4 232 B4R0.1 C[C@H](O)CN 5720 [1,1,0,0,0,0|1,0,1]=4 233 B4R0.1 C[C@H](O)CO 5853 [1,1,0,0,0,0|0,0,2]=4 234 B4R0.1 C\C=C(/C)Br 29073 [1,1,0,0,0,0|1,0,1]=4 235 B4R0.1 N=C(N)CCl 20222 [1,1,0,0,0,0|2,0,0]=4 236 B4R0.1 NC(=O)CBr 31995 [1,1,0,0,0,0|1,0,0]=3 237 B4R0.1 NC(=O)CI 12542 [1,1,0,0,0,0|1,0,0]=3 238 B4R0.1 NCC(=O)O 18924 [1,1,0,0,0,0|1,0,0]=3 239 B4R0.1 NCC(=O)[O-] 26210 [1,1,0,0,0,0|1,0,0]=3 240 B4R0.1 NCC(=O)[O-] 9921 [1,1,0,0,0,0|1,0,0]=3 241 B4R0.1 NCC(N)=O 13019 [1,1,0,0,0,0|1,0,0]=3 242 B4R0.1 NNC(N)=O 15701 [1,1,0,0,0,0|2,0,0]=4 243 B4R0.1 O=C(Cl)CBr 24880 [1,1,0,0,0,0|1,0,0]=3 244 B4R0.1 O=C(O)CBr 13144 [1,1,0,0,0,0|1,0,0]=3 245 B4R0.1 O=CC(=O)O 19965 [1,1,0,0,0,0|1,0,1]=4 246 B4R0.1 [C-]#[N+]C(C)C 29396 [1,1,0,0,0,0|1,0,1]=4 247 B6R0.1 C#CC(=O)OCC 4070 [0,2,0,0,0,0|0,0,0]=2 248 B6R0.1 C=CC(=O)OCC 24719 [0,2,0,0,0,0|0,0,0]=2 249 B6R0.1 CC#CC(=O)OC 12783 [0,2,0,0,0,0|1,0,1]=4 250 B6R0.1 CCOC(=N)CCl 44863 [0,2,0,0,0,0|1,0,0]=3 251 B6R0.1 CCOC(=O)C#N 26282 [0,2,0,0,0,0|0,0,0]=2 252 B6R0.1 CCOC(=O)C=O 27307 [0,2,0,0,0,0|0,0,0]=2 253 B6R0.1 CCOC(=O)CF 23757 [0,2,0,0,0,0|0,0,0]=2 254 B6R0.1 CCOC(=O)CN 10926 [0,2,0,0,0,0|0,0,0]=2 255 B6R0.1 CCOC(=O)NO 12451 [0,2,0,0,0,0|0,0,0]=2 256 B6R0.1 CC\C=C(/C)C=O 36081 [0,2,0,0,0,0|1,0,0]=3 257 B6R0.1 CNCC(=O)OC 10901 [0,2,0,0,0,0|2,0,0]=4 258 B6R0.1 COC(=O)CCBr 19970 [0,2,0,0,0,0|2,0,0]=4 259 B6R0.1 COC(=O)CCN 10900 [0,2,0,0,0,0|2,0,0]=4 260 B6R0.1 COC(=O)NC=O 23790 [0,2,0,0,0,0|1,0,1]=4 261 B6R0.1 O=C(CBr)CCBr 35308 [0,2,0,0,0,0|2,0,0]=4 262 B6R0.2 CC(=O)\C=C(/C)N 12810 [0,2,0,0,0,0|1,0,1]=4 263 B6R0.2 CC(C)=CC(=O)Cl 35639 [0,2,0,0,0,0|1,0,1]=4 264 B6R0.2 CC(C)=CC(=O)O 21295 [0,2,0,0,0,0|1,0,1]=4 265 B6R0.2 CC(C)O[N+](=O)[O-] 17254 [0,2,0,0,0,0|1,0,0]=3 266 B6R0.2 CC(Cl)OC(=O)Cl 17418 [0,2,0,0,0,0|0,0,0]=2 267 B6R0.2 CC(O)CC(=O)O 13860 [0,2,0,0,0,0|1,0,0]=3 268 B6R0.2 CN(C)CC(=O)O 21520 [0,2,0,0,0,0|2,0,0]=4 269 B6R0.2 C[C@@H](N)CC(=O)O 30087 [0,2,0,0,0,0|1,0,0]=3 270 B6R0.2 C[C@H](N)CC(=O)O 13856 [0,2,0,0,0,0|1,0,0]=3 271 B6R0.3 CC(CN)C(=O)O 21922 [0,2,0,0,0,0|2,0,0]=4 272 B6R0.3 CC(CN)C(=O)O 30383 [0,2,0,0,0,0|2,0,0]=4 273 B6R0.3 CCC(=O)C(=O)O 24837 [0,2,0,0,0,0|1,0,0]=3 274 B6R0.3 CCC(=O)C(=O)[O-] 17406 [0,2,0,0,0,0|1,0,0]=3 275 B6R0.3 CCC(Br)C(=O)O 14564 [0,2,0,0,0,0|1,0,0]=3 276 B6R0.3 CCC(N)C(=O)O 27168 [0,2,0,0,0,0|1,0,0]=3 277 B6R0.3 CCN(C)C(=O)Cl 16066 [0,2,0,0,0,0|1,0,0]=3 278 B6R0.3 CC[C@@H](Br)C(=O)O 36160 [0,2,0,0,0,0|1,0,0]=3 279 B6R0.3 CC[C@@H](C)C(=O)O 32186 [0,2,0,0,0,0|1,0,0]=3 280 B6R0.3 CC[C@@H](N)C(=O)O 13431 [0,2,0,0,0,0|1,0,0]=3 281 B6R0.3 CC[C@@H](N)C(=O)O 15607 [0,2,0,0,0,0|1,0,0]=3 282 B6R0.3 CC[C@H](Br)C(=O)O 8279 [0,2,0,0,0,0|1,0,0]=3 283 B6R0.3 CC[C@H](C)C(=O)O 36048 [0,2,0,0,0,0|1,0,0]=3 284 B6R0.3 CC[C@H](C)C(=O)O 36048 [0,2,0,0,0,0|1,0,0]=3 285 B6R0.3 CC[C@H](N)C(=O)O 16473 [0,2,0,0,0,0|1,0,0]=3 286 B6R0.3 CC[C@H](N)C(=O)O 16477 [0,2,0,0,0,0|1,0,0]=3 287 B6R0.3 CC[C@H](N)C(N)=O 28166 [0,2,0,0,0,0|1,0,0]=3 288 B6R0.3 CC[C@H](N)C(N)=O 5725 [0,2,0,0,0,0|1,0,0]=3 289 B6R0.3 CC[C@H](O)C(=O)O 8265 [0,2,0,0,0,0|1,0,0]=3 290 B6R0.3 CN[C@@H](C)C(=O)O 24906 [0,2,0,0,0,0|2,0,0]=4 291 B6R0.3 COC(=O)C(C)=O 35415 [0,2,0,0,0,0|2,0,0]=4 292 B6R0.3 CON(C)C(C)=O 12775 [0,2,0,0,0,0|2,0,0]=4 293 B6R0.3 C[C@H](CO)C(=O)O 14230 [0,2,0,0,0,0|2,0,0]=4 294 B6R0.3 C\C=C(/C)C(=O)O 30426 [0,2,0,0,0,0|1,0,1]=4 295 B6R0.3 NC(=O)[C@@H](N)CO 26034 [0,2,0,0,0,0|2,0,0]=4 296 B6R0.3 NC(CO)C(=O)O 11003 [0,2,0,0,0,0|2,0,0]=4 297 B6R0.3 NC(CS)C(=O)O 12372 [0,2,0,0,0,0|2,0,0]=4 298 B6R0.3 NCC(N)C(=O)O 13822 [0,2,0,0,0,0|2,0,0]=4 299 B6R0.3 NCC(O)C(=O)O 23947 [0,2,0,0,0,0|2,0,0]=4 300 B6R0.3 NC[C@@H](N)C(=O)O 13823 [0,2,0,0,0,0|2,0,0]=4 301 B6R0.3 NC[C@H](N)C(=O)O 13356 [0,2,0,0,0,0|2,0,0]=4 302 B6R0.3 NC[C@H](N)C(=O)O 13818 [0,2,0,0,0,0|2,0,0]=4 303 B6R0.3 NC[C@H](O)C(=O)O 26012 [0,2,0,0,0,0|2,0,0]=4 304 B6R0.3 N[C@@H](CO)C(=O)O 10994 [0,2,0,0,0,0|2,0,0]=4 305 B6R0.3 N[C@@H](CS)C(=O)O 19006 [0,2,0,0,0,0|2,0,0]=4 306 B6R0.3 N[C@@H](CS)C(=O)O 19010 [0,2,0,0,0,0|2,0,0]=4 307 B6R0.3 N[C@@H](CS)C(=O)O 23844 [0,2,0,0,0,0|2,0,0]=4 308 B6R0.3 N[C@H](CO)C(=O)O 10704 [0,2,0,0,0,0|2,0,0]=4 309 B6R0.3 N[C@H](CS)C(=O)O 12314 [0,2,0,0,0,0|2,0,0]=4 310 B6R0.3 N[C@H](CS)C(=O)O 16838 [0,2,0,0,0,0|2,0,0]=4 311 B6R0.3 N[C@H](CS)C(=O)O 23177 [0,2,0,0,0,0|2,0,0]=4 312 B6R0.3 N[C@H](CS)C(=O)O 29024 [0,2,0,0,0,0|2,0,0]=4 313 B6R0.4 C#CCCC(=O)O 32190 [0,2,0,0,0,0|1,0,1]=4 314 B6R0.4 C=C(C)CNCC 10272 [0,2,0,0,0,0|2,0,0]=4 315 B6R0.4 C=CCCC(=O)O 20009 [0,2,0,0,0,0|1,0,1]=4 316 B6R0.4 C=CCOC(=O)Cl 20427 [0,2,0,0,0,0|0,0,1]=3 317 B6R0.4 CC(=O)CCCCl 17207 [0,2,0,0,0,0|1,0,0]=3 318 B6R0.4 CC(=O)NCCN 19141 [0,2,0,0,0,0|1,0,0]=3 319 B6R0.4 CC(=O)OCCBr 19081 [0,2,0,0,0,0|0,0,0]=2 320 B6R0.4 CCCCC(=O)Cl 21358 [0,2,0,0,0,0|1,0,0]=3 321 B6R0.4 CCCCC(=O)[O-] 27064 [0,2,0,0,0,0|1,0,0]=3 322 B6R0.4 CCNCC(=O)O 23122 [0,2,0,0,0,0|1,0,0]=3 323 B6R0.4 CC\C=C\C(C)=O 32068 [0,2,0,0,0,0|1,0,0]=3 324 B6R0.4 CO\C=C\C(C)=O 28206 [0,2,0,0,0,0|1,0,1]=4 325 B6R0.4 O=C(Cl)CCCCl 32347 [0,2,0,0,0,0|1,0,0]=3 326 B6R0.4 O=C(O)CCCBr 3754 [0,2,0,0,0,0|1,0,0]=3 327 B6R0.4 O=C(O)CCCS 36247 [0,2,0,0,0,0|1,0,0]=3 328 B6R0.5 CC(C)(C)CC=O 3076 [0,2,0,0,0,0|1,0,0]=3 329 B6R0.5 CCCP(=O)(O)O 35052 [0,2,0,0,0,0|2,0,0]=4 330 B6R0.5 CCCS(=O)(=O)Cl 24570 [0,2,0,0,0,0|2,0,0]=4 331 B6R0.5 O=S(=O)(Cl)OCCl 21636 [0,2,0,0,0,0|2,0,0]=4 332 B6R0.6 C=COCCON 44715 [0,2,0,0,0,0|1,0,0]=3 333 B6R0.6 CCCCCC=O 3077 [0,2,0,0,0,0|1,0,0]=3 334 B6R0.6 CCCCOCC 12525 [0,2,0,0,0,0|1,0,1]=4 335 B6R0.6 CCCOCCCl 14348 [0,2,0,0,0,0|1,0,1]=4 336 B6R0.6 CCC\C=C\CO 18917 [0,2,0,0,0,0|1,0,1]=4 337 B6R0.6 CCOCCC#N 24829 [0,2,0,0,0,0|1,0,1]=4 338 B6R0.6 CCOCCCO 1937 [0,2,0,0,0,0|0,0,2]=4 339 B6R0.6 COCCOCCl 10093 [0,2,0,0,0,0|1,0,1]=4 340 B6R0.6 ClCCOCCCl 18689 [0,2,0,0,0,0|1,0,1]=4 341 B6R0.6 NCCOCCN 31824 [0,2,0,0,0,0|1,0,1]=4 342 B6R0.6 NCCOCCN 31825 [0,2,0,0,0,0|1,0,1]=4 343 B6R0.6 O=CCCCCCl 27418 [0,2,0,0,0,0|1,0,0]=3 344 B4R1.1 C1CNC1 22634 [1,0,0,1,0,0|1,0,1]=4 345 B4R1.2 BrC1CC1 14417 [1,0,0,1,0,0|1,0,1]=4 346 B4R1.2 CC1=CC1 18904 [1,0,0,1,0,0|1,0,1]=4 347 B4R1.2 C[C@@H]1CO1 5829 [1,0,0,1,0,0|0,0,1]=3 348 B4R1.2 C[C@H]1CO1 5828 [1,0,0,1,0,0|0,0,1]=3 349 B4R1.2 OC1CC1 34599 [1,0,0,1,0,0|0,0,2]=4 350 B6R1.2 BrC1=CCCC1 29715 [0,1,0,1,0,0|2,0,0]=4 351 B6R1.2 BrC1CCOC1 26260 [0,1,0,1,0,0|1,0,1]=4 352 B6R1.2 CB1NCCO1 9360 [0,1,0,1,0,0|2,0,0]=4 353 B6R1.2 CC1=CC=CO1 11230 [0,1,0,1,0,0|1,0,1]=4 354 B6R1.2 CC1=CC=NO1 8634 [0,1,0,1,0,0|1,0,1]=4 355 B6R1.2 CC1=COC=C1 19993 [0,1,0,1,0,0|1,0,1]=4 356 B6R1.2 CC1=COC=N1 23604 [0,1,0,1,0,0|1,0,1]=4 357 B6R1.2 CC1=NCCC1 9412 [0,1,0,1,0,0|2,0,0]=4 358 B6R1.2 CC1=NCCN1 10179 [0,1,0,1,0,0|2,0,0]=4 359 B6R1.2 CC1CCCO1 10841 [0,1,0,1,0,0|1,0,1]=4 360 B6R1.2 NC1=NCCC1 32058 [0,1,0,1,0,0|2,0,0]=4 361 B6R1.2 NC1=NCCS1 17230 [0,1,0,1,0,0|1,1,0]=4 362 B6R1.2 NC1CCOC1 20203 [0,1,0,1,0,0|1,0,1]=4 363 B6R1.2 NC1CCOC1 24733 [0,1,0,1,0,0|1,0,1]=4 364 B6R1.2 N[C@@H]1CCOC1 12612 [0,1,0,1,0,0|1,0,1]=4 365 B6R1.2 N[C@@H]1CCOC1 15496 [0,1,0,1,0,0|1,0,1]=4 366 B6R1.2 N[C@H]1CCOC1 15126 [0,1,0,1,0,0|1,0,1]=4 367 B6R1.2 O=C1C=CCC1 9803 [0,1,0,1,0,0|1,0,0]=3 368 B6R1.2 O=C1C=CCN1 23871 [0,1,0,1,0,0|1,0,1]=4 369 B6R1.2 O=C1C=CON1 27643 [0,1,0,1,0,0|0,0,2]=4 370 B6R1.2 O=C1CC=CC1 12654 [0,1,0,1,0,0|1,0,1]=4 371 B6R1.2 O=C1CC=NN1 23623 [0,1,0,1,0,0|1,0,1]=4 372 B6R1.2 O=C1CCCC1 30304 [0,1,0,1,0,0|1,0,0]=3 373 B6R1.2 O=C1CCCN1 19110 [0,1,0,1,0,0|1,0,0]=3 374 B6R1.2 O=C1CCNC1 21931 [0,1,0,1,0,0|1,0,0]=3 375 B6R1.2 O=C1CCOC1 15127 [0,1,0,1,0,0|0,0,0]=2 376 B6R1.2 O=C1CCSC1 5575 [0,1,0,1,0,0|0,1,0]=3 377 B6R1.2 O=C1CNCN1 23395 [0,1,0,1,0,0|1,0,0]=3 378 B6R1.2 O=C1NCCO1 8624 [0,1,0,1,0,0|0,0,0]=2 379 B6R1.2 O=C1NCCS1 14582 [0,1,0,1,0,0|0,1,0]=3 380 B6R1.2 O=S1CCCC1 12544 [0,1,0,1,0,0|1,0,1]=4 381 B6R1.2 O=S1OCCO1 1901 [0,1,0,1,0,0|1,0,0]=3 382 B6R1.2 OC1=NNCC1 44776 [0,1,0,1,0,0|1,0,1]=4 383 B6R1.2 OC1CC=CC1 29044 [0,1,0,1,0,0|2,0,0]=4 384 B6R1.2 O[C@@H]1CCOC1 11341 [0,1,0,1,0,0|0,0,2]=4 385 B6R1.2 O[C@@H]1CCOC1 7071 [0,1,0,1,0,0|0,0,2]=4 386 B6R1.2 O[C@H]1CCOC1 16209 [0,1,0,1,0,0|0,0,2]=4 387 B6R1.2 S=C1CCCN1 20272 [0,1,0,1,0,0|1,1,0]=4 388 B6R1.2 S=C1NCCS1 14579 [0,1,0,1,0,0|0,2,0]=4 389 B6R1.5 NC1CC(=O)C1 16442 [0,1,0,1,0,0|1,0,0]=3 390 B6R1.10 O=S1(=O)CCC1 25943 [0,1,0,1,0,0|2,0,0]=4 391 B6R1.11 CC(=O)C1CC1 16205 [0,1,0,1,0,0|1,0,0]=3 392 B6R1.11 N=C(N)C1CC1 9046 [0,1,0,1,0,0|2,0,0]=4 393 B6R1.11 NC(=O)C1CC1 21401 [0,1,0,1,0,0|1,0,0]=3 394 B6R1.11 NC(=S)C1CC1 29327 [0,1,0,1,0,0|1,1,0]=4 395 B6R1.11 O=C(Cl)C1CC1 10555 [0,1,0,1,0,0|1,0,0]=3 396 B6R1.11 O=C(O)C1CC1 10557 [0,1,0,1,0,0|1,0,0]=3 397 B6R1.11 O=C([O-])C1CO1 26336 [0,1,0,1,0,0|2,0,0]=4 398 B6R1.1 C1=COCCC1 9508 [0,1,0,1,0,0|1,0,0]=3 399 B6R1.1 C1CCOCC1 9509 [0,1,0,1,0,0|1,0,1]=4 400 B6R1.1 C1COCCN1 15002 [0,1,0,1,0,0|1,0,1]=4 401 B6R1.1 C1COCCN1 18231 [0,1,0,1,0,0|1,0,1]=4 402 B6R1.6 O=CC1CCC1 23840 [0,1,0,1,0,0|1,0,0]=3