0 B4R0.2 C#CCCO 13071 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.2 C#CCOC 35042 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.2 C#COCC 12592 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 C=CCCN 10268 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.2 C=CCCN 36002 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.2 C=CCCO 18909 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.2 C=CC[Pd]Cl 16020 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.2 C=COCC 18645 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.2 CC#CCO 13061 [0,0,0,0,0,0|0,0,4]=4 9 B4R0.2 CCCCBr 3752 [0,0,0,0,0,0|1,0,1]=2 10 B4R0.2 CCCCI 3939 [0,0,0,0,0,0|1,0,1]=2 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|2,0,1]=3 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|2,0,1]=3 17 B4R0.2 CNCCCl 35179 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.2 CNCCN 4020 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.2 COCC#N 28756 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.2 COCCBr 2138 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.2 COCCCl 1911 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.2 COCCO 35138 [0,0,0,0,0,0|1,0,2]=3 23 B4R0.2 CSCCCl 35891 [0,0,0,0,0,0|2,0,1]=3 24 B4R0.2 CSCCN 19131 [0,0,0,0,0,0|2,0,1]=3 25 B4R0.2 CSCCO 10846 [0,0,0,0,0,0|1,0,2]=3 26 B4R0.2 C\C=C\CC 19602 [0,0,0,0,0,0|1,0,1]=2 27 B4R0.2 C\C=C\CO 21075 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.2 ICCCI 3858 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.2 N#CCC=O 18435 [0,0,0,0,0,0|1,0,1]=2 30 B4R0.2 N#CCCBr 25994 [0,0,0,0,0,0|2,0,1]=3 31 B4R0.2 N#CCCN 19134 [0,0,0,0,0,0|2,0,1]=3 32 B4R0.2 N#CCCO 22156 [0,0,0,0,0,0|2,0,1]=3 33 B4R0.2 NCCCBr 18801 [0,0,0,0,0,0|2,0,1]=3 34 B4R0.2 NCCCN 10839 [0,0,0,0,0,0|2,0,1]=3 35 B4R0.2 NNCCO 45109 [0,0,0,0,0,0|3,0,0]=3 36 B4R0.2 O=[Dy]O[Dy]=O 24590 [0,0,0,0,0,0|4,0,0]=4 37 B3R0.1 C#CCBr 20264 [1,0,0,0,0,0|1,0,2]=4 38 B3R0.1 C#CCN 18842 [1,0,0,0,0,0|1,0,2]=4 39 B3R0.1 C#CCN 18845 [1,0,0,0,0,0|1,0,2]=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|1,0,1]=3 42 B3R0.1 C=CCI 12655 [1,0,0,0,0,0|1,0,1]=3 43 B3R0.1 C=CCN 19133 [1,0,0,0,0,0|1,0,1]=3 44 B3R0.1 CCCI 3977 [1,0,0,0,0,0|1,0,0]=2 45 B3R0.1 CCC[S-] 35319 [1,0,0,0,0,0|0,1,0]=2 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|2,0,0]=3 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|2,0,1]=4 52 B3R0.1 COCBr 23167 [1,0,0,0,0,0|2,0,0]=3 53 B3R0.1 CSSC 9665 [1,0,0,0,0,0|2,0,1]=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|2,0,0]=3 57 B3R0.1 NCCF 19132 [1,0,0,0,0,0|2,0,0]=3 58 B3R0.1 NCCO 24767 [1,0,0,0,0,0|1,0,1]=3 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|1,1,0]=3 61 B5R0.1 C#CCC(C)O 26123 [0,1,0,0,0,0|1,0,1]=3 62 B5R0.1 C=CCB(O)O 24067 [0,1,0,0,0,0|3,0,0]=4 63 B5R0.1 CC#CC(=O)O 16226 [0,1,0,0,0,0|0,0,2]=3 64 B5R0.1 CC(=O)NCO 11062 [0,1,0,0,0,0|2,0,0]=3 65 B5R0.1 CC(=O)\C=N\O 13359 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.1 CC(=O)\C=N\O 31878 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.1 CC(Br)CCBr 3866 [0,1,0,0,0,0|1,0,1]=3 68 B5R0.1 CC(C)=CC=O 3075 [0,1,0,0,0,0|0,0,2]=3 69 B5R0.1 CC(C)=CCBr 35170 [0,1,0,0,0,0|2,0,1]=4 70 B5R0.1 CC(C)CCI 3950 [0,1,0,0,0,0|1,0,1]=3 71 B5R0.1 CC(C)CNN 18739 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.1 CC(C)N=C=S 16501 [0,1,0,0,0,0|1,1,1]=4 73 B5R0.1 CC(N)CCO 29198 [0,1,0,0,0,0|0,0,2]=3 74 B5R0.1 CCCB(O)O 6019 [0,1,0,0,0,0|1,0,1]=3 75 B5R0.1 CCCC(=N)N 16315 [0,1,0,0,0,0|1,0,0]=2 76 B5R0.1 CCCC(=O)Cl 13241 [0,1,0,0,0,0|0,0,0]=1 77 B5R0.1 CCCC(C)N 26317 [0,1,0,0,0,0|1,0,1]=3 78 B5R0.1 CCC[C@@H](C)O 6721 [0,1,0,0,0,0|0,0,2]=3 79 B5R0.1 CCC[C@H](C)O 6719 [0,1,0,0,0,0|0,0,2]=3 80 B5R0.1 CCNC(C)C 10283 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.1 CCOC(=S)[S-] 36079 [0,1,0,0,0,0|1,1,0]=3 82 B5R0.1 CCOC(C)=N 2020 [0,1,0,0,0,0|2,0,0]=3 83 B5R0.1 CCSC(C)=S 12459 [0,1,0,0,0,0|1,1,0]=3 84 B5R0.1 CN(C)CC=O 26115 [0,1,0,0,0,0|1,0,0]=2 85 B5R0.1 CN(C)CCS 35662 [0,1,0,0,0,0|1,1,1]=4 86 B5R0.1 CNCC(=O)O 10995 [0,1,0,0,0,0|1,0,0]=2 87 B5R0.1 COCC(C)O 1904 [0,1,0,0,0,0|2,0,0]=3 88 B5R0.1 COC[C@@H](C)O 6714 [0,1,0,0,0,0|2,0,0]=3 89 B5R0.1 COC[C@H](C)O 6715 [0,1,0,0,0,0|2,0,0]=3 90 B5R0.1 C[C@@H](O)CCO 6724 [0,1,0,0,0,0|0,0,2]=3 91 B5R0.1 C[C@H](O)CCO 6722 [0,1,0,0,0,0|0,0,2]=3 92 B5R0.1 N#CCC(=O)O 20139 [0,1,0,0,0,0|1,0,1]=3 93 B5R0.1 NCCC(=O)O 10996 [0,1,0,0,0,0|1,0,0]=2 94 B5R0.1 NCCC(N)=O 18936 [0,1,0,0,0,0|1,0,0]=2 95 B5R0.1 O=C(Cl)CCBr 31904 [0,1,0,0,0,0|1,0,0]=2 96 B5R0.1 O=C(Cl)CCCl 13691 [0,1,0,0,0,0|1,0,0]=2 97 B5R0.1 O=C(O)CCCl 13689 [0,1,0,0,0,0|1,0,0]=2 98 B5R0.1 O=C(O)CCO 12598 [0,1,0,0,0,0|1,0,0]=2 99 B5R0.1 O=C(O)CCS 36422 [0,1,0,0,0,0|1,0,0]=2 100 B5R0.1 O=C(O)\C=C\Cl 35750 [0,1,0,0,0,0|1,0,2]=4 101 B5R0.1 O=C(O)\C=C\I 11671 [0,1,0,0,0,0|1,0,2]=4 102 B5R0.1 O=[N+]([O-])CCO 14208 [0,1,0,0,0,0|2,0,0]=3 103 B5R0.2 BrCCCCBr 3870 [0,1,0,0,0,0|1,0,1]=3 104 B5R0.2 BrC\C=C\CBr 9987 [0,1,0,0,0,0|2,0,1]=4 105 B5R0.2 C#CCCCC 13057 [0,1,0,0,0,0|1,0,1]=3 106 B5R0.2 C#CCCCCl 34956 [0,1,0,0,0,0|1,0,1]=3 107 B5R0.2 C#CCCCO 2025 [0,1,0,0,0,0|1,0,1]=3 108 B5R0.2 C=COCCCl 17316 [0,1,0,0,0,0|2,0,0]=3 109 B5R0.2 CCC#CCBr 35958 [0,1,0,0,0,0|1,0,2]=4 110 B5R0.2 CCCC#CO 13063 [0,1,0,0,0,0|0,0,2]=3 111 B5R0.2 CCCCCI 3960 [0,1,0,0,0,0|1,0,1]=3 112 B5R0.2 CCCNCC 10270 [0,1,0,0,0,0|1,0,1]=3 113 B5R0.2 CCOCCBr 12476 [0,1,0,0,0,0|1,0,1]=3 114 B5R0.2 CCOCCCl 1932 [0,1,0,0,0,0|1,0,1]=3 115 B5R0.2 CNCCCN 26279 [0,1,0,0,0,0|1,0,1]=3 116 B5R0.2 CNCCCO 30456 [0,1,0,0,0,0|0,0,2]=3 117 B5R0.2 CNCCNC 31976 [0,1,0,0,0,0|2,0,0]=3 118 B5R0.2 COCCC#N 24839 [0,1,0,0,0,0|1,0,1]=3 119 B5R0.2 COCCC=O 24309 [0,1,0,0,0,0|0,0,0]=1 120 B5R0.2 COCCCBr 11240 [0,1,0,0,0,0|1,0,1]=3 121 B5R0.2 COCCCCl 18632 [0,1,0,0,0,0|1,0,1]=3 122 B5R0.2 COCCCN 16804 [0,1,0,0,0,0|1,0,1]=3 123 B5R0.2 COCCCO 1936 [0,1,0,0,0,0|0,0,2]=3 124 B5R0.2 COCCOC 18652 [0,1,0,0,0,0|2,0,0]=3 125 B5R0.2 CO\C=C\C#N 24705 [0,1,0,0,0,0|2,0,1]=4 126 B5R0.2 ClCCCCBr 36136 [0,1,0,0,0,0|1,0,1]=3 127 B5R0.2 ClC\C=C\CCl 18743 [0,1,0,0,0,0|2,0,1]=4 128 B5R0.2 ClC\C=C\CCl 29077 [0,1,0,0,0,0|2,0,1]=4 129 B5R0.2 ICCCCI 3842 [0,1,0,0,0,0|1,0,1]=3 130 B5R0.2 N#CCCC#N 19068 [0,1,0,0,0,0|1,0,2]=4 131 B5R0.2 N#CCCCBr 28726 [0,1,0,0,0,0|1,0,1]=3 132 B5R0.2 N#CCCCCl 26537 [0,1,0,0,0,0|1,0,1]=3 133 B5R0.2 NCCCCN 25424 [0,1,0,0,0,0|1,0,1]=3 134 B5R0.2 NC\C=C\CCl 25442 [0,1,0,0,0,0|2,0,1]=4 135 B5R0.2 OCCCCCl 17292 [0,1,0,0,0,0|0,0,2]=3 136 B5R0.2 OCCCCCl 23235 [0,1,0,0,0,0|0,0,2]=3 137 B5R0.2 OC\C=C\CCl 29079 [0,1,0,0,0,0|1,0,2]=4 138 B5R0.2 OC\C=C\CO 13982 [0,1,0,0,0,0|1,0,2]=4 139 B5R0.2 O\C=C\CCO 35113 [0,1,0,0,0,0|0,0,2]=3 140 B5R0.3 C#CC(O)CC 26391 [0,1,0,0,0,0|1,0,1]=3 141 B5R0.3 C=CC(=O)CBr 13741 [0,1,0,0,0,0|2,0,1]=4 142 B5R0.3 C=CC(=O)CO 32353 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.3 C=C[C@H](O)CO 19971 [0,1,0,0,0,0|2,0,0]=3 144 B5R0.3 CCC(N)CO 14779 [0,1,0,0,0,0|0,0,2]=3 145 B5R0.3 CCP(Cl)CC 6480 [0,1,0,0,0,0|2,0,1]=4 146 B5R0.3 CC[C@@H](O)CO 14093 [0,1,0,0,0,0|0,0,2]=3 147 B5R0.3 CC[C@H](C)C#N 32183 [0,1,0,0,0,0|1,0,1]=3 148 B5R0.3 CC[C@H](C)CN 16256 [0,1,0,0,0,0|1,0,1]=3 149 B5R0.3 CC[C@H](O)CO 14096 [0,1,0,0,0,0|0,0,2]=3 150 B5R0.3 CO[C@@H](C)CN 17733 [0,1,0,0,0,0|2,0,1]=4 151 B5R0.3 CO[C@@H](C)CN 17747 [0,1,0,0,0,0|2,0,1]=4 152 B5R0.3 CO[C@@H](C)CO 26646 [0,1,0,0,0,0|1,0,2]=4 153 B5R0.3 CO[C@H](C)CN 17734 [0,1,0,0,0,0|2,0,1]=4 154 B5R0.3 CO[C@H](C)CN 17748 [0,1,0,0,0,0|2,0,1]=4 155 B5R0.3 NC(CO)CO 11931 [0,1,0,0,0,0|1,0,2]=4 156 B5R0.3 NC[C@@H](O)CO 5711 [0,1,0,0,0,0|1,0,2]=4 157 B5R0.3 NC[C@H](O)CCl 34211 [0,1,0,0,0,0|2,0,1]=4 158 B5R0.3 NC[C@H](O)CO 5712 [0,1,0,0,0,0|1,0,2]=4 159 B5R0.3 O=CC(Cl)C=O 27131 [0,1,0,0,0,0|1,0,1]=3 160 B5R0.3 O=CC(O)CO 13962 [0,1,0,0,0,0|1,0,0]=2 161 B5R0.3 O=C[C@@H](O)CO 6339 [0,1,0,0,0,0|1,0,0]=2 162 B5R0.3 O=C[C@@H](O)CO 6340 [0,1,0,0,0,0|1,0,0]=2 163 B5R0.3 O=C[C@H](O)CO 6338 [0,1,0,0,0,0|1,0,0]=2 164 B5R0.3 OC(CCl)CCl 5871 [0,1,0,0,0,0|2,0,1]=4 165 B5R0.3 OCC(O)CCl 21311 [0,1,0,0,0,0|1,0,2]=4 166 B5R0.3 OCC(O)CO 16092 [0,1,0,0,0,0|1,0,2]=4 167 B5R0.3 OC[C@@H](O)CCl 5741 [0,1,0,0,0,0|1,0,2]=4 168 B5R0.3 OC[C@H](O)CCl 5740 [0,1,0,0,0,0|1,0,2]=4 169 B5R1.1 C1=CCNC1 18771 [0,0,0,1,0,0|2,0,0]=3 170 B5R1.1 C1=CCNC1 29078 [0,0,0,1,0,0|2,0,0]=3 171 B5R1.1 C1=CCOC1 3987 [0,0,0,1,0,0|2,0,0]=3 172 B5R1.1 C1=COCC1 12854 [0,0,0,1,0,0|0,0,2]=3 173 B5R1.1 C1=NCCO1 24989 [0,0,0,1,0,0|1,0,1]=3 174 B5R1.1 C1=NCCO1 8622 [0,0,0,1,0,0|1,0,1]=3 175 B5R1.1 C1CCNC1 19143 [0,0,0,1,0,0|1,0,1]=3 176 B5R1.1 C1CCOC1 12766 [0,0,0,1,0,0|0,0,2]=3 177 B5R1.1 C1CSCN1 35964 [0,0,0,1,0,0|1,1,1]=4 178 B5R1.1 C1CSCN1 36265 [0,0,0,1,0,0|1,1,1]=4 179 B5R1.2 BrC1COC1 35713 [0,0,0,1,0,0|2,0,1]=4 180 B5R1.2 FC1CNC1 10162 [0,0,0,1,0,0|2,0,1]=4 181 B5R1.2 FC1CNC1 24864 [0,0,0,1,0,0|2,0,1]=4 182 B5R1.2 IC1COC1 29373 [0,0,0,1,0,0|2,0,1]=4 183 B5R1.2 NC1CCC1 11047 [0,0,0,1,0,0|1,0,1]=3 184 B5R1.2 NC1CCC1 35736 [0,0,0,1,0,0|1,0,1]=3 185 B5R1.2 NC1COC1 20414 [0,0,0,1,0,0|2,0,1]=4 186 B5R1.2 O=C1CCC1 9021 [0,0,0,1,0,0|0,0,0]=1 187 B5R1.2 O=C1CCO1 2546 [0,0,0,1,0,0|1,0,0]=2 188 B5R1.2 O=C1COC1 15880 [0,0,0,1,0,0|1,0,0]=2 189 B5R1.2 O=C1CSC1 25389 [0,0,0,1,0,0|1,0,0]=2 190 B5R1.2 OC1CCC1 27295 [0,0,0,1,0,0|0,0,2]=3 191 B5R1.2 OC1CNC1 10157 [0,0,0,1,0,0|1,0,2]=4 192 B5R1.2 OC1CNC1 12930 [0,0,0,1,0,0|1,0,2]=4 193 B5R1.2 OC1COC1 17367 [0,0,0,1,0,0|1,0,2]=4 194 B5R1.3 BrCC1CC1 13771 [0,0,0,1,0,0|1,0,1]=3 195 B5R1.3 BrCC1CO1 21362 [0,0,0,1,0,0|1,0,2]=4 196 B5R1.3 C=CC1CO1 23575 [0,0,0,1,0,0|2,0,0]=3 197 B5R1.3 CC[C@@H]1CO1 14098 [0,0,0,1,0,0|0,0,2]=3 198 B5R1.3 CC[C@H]1CO1 14100 [0,0,0,1,0,0|0,0,2]=3 199 B5R1.3 ClCC1CC1 10983 [0,0,0,1,0,0|1,0,1]=3 200 B5R1.3 ClCC1CO1 5779 [0,0,0,1,0,0|1,0,2]=4 201 B5R1.3 ClCC1CO1 5780 [0,0,0,1,0,0|1,0,2]=4 202 B5R1.3 NNC1CC1 45053 [0,0,0,1,0,0|2,0,0]=3 203 B5R1.3 O=CC1CC1 12460 [0,0,0,1,0,0|0,0,0]=1 204 B5R1.3 OCC1CC1 9773 [0,0,0,1,0,0|0,0,2]=3 205 B5R1.3 OCC1CO1 21960 [0,0,0,1,0,0|1,0,2]=4 206 B5R1.3 OC[C@@H]1CO1 5832 [0,0,0,1,0,0|1,0,2]=4 207 B5R1.3 OC[C@H]1CO1 5836 [0,0,0,1,0,0|1,0,2]=4 208 B5R1.4 CC1OC1C 35217 [0,0,0,1,0,0|2,0,1]=4 209 B2R0.1 CCI 21355 [2,0,0,0,0,0|1,0,0]=3 210 B2R0.1 CCN 45201 [2,0,0,0,0,0|1,0,0]=3 211 B2R0.1 CC[O-] 26132 [2,0,0,0,0,0|0,0,1]=3 212 B2R0.1 CNC 18186 [2,0,0,0,0,0|1,0,0]=3 213 B2R0.1 CSC 14218 [2,0,0,0,0,0|1,0,0]=3 214 B2R0.1 CSC 36251 [2,0,0,0,0,0|1,0,0]=3 215 B2R0.1 C[Mg]Br 20745 [2,0,0,0,0,0|2,0,0]=4 216 B2R0.1 ClCBr 2209 [2,0,0,0,0,0|2,0,0]=4 217 B2R0.1 FCBr 2382 [2,0,0,0,0,0|2,0,0]=4 218 B2R0.1 FCCl 35673 [2,0,0,0,0,0|2,0,0]=4 219 B2R0.1 O=[PH2][O-] 12707 [2,0,0,0,0,0|2,0,0]=4 220 B4R0.1 C#CC(=O)O 23201 [1,1,0,0,0,0|0,0,2]=4 221 B4R0.1 C#CC(C)=O 2024 [1,1,0,0,0,0|0,0,2]=4 222 B4R0.1 C#C[C@@H](C)O 20211 [1,1,0,0,0,0|0,0,2]=4 223 B4R0.1 C=C(C)CCl 20429 [1,1,0,0,0,0|1,0,1]=4 224 B4R0.1 C=CC(=O)O 21090 [1,1,0,0,0,0|0,0,2]=4 225 B4R0.1 C=CC(N)=O 14147 [1,1,0,0,0,0|0,0,2]=4 226 B4R0.1 CC(=O)CBr 24199 [1,1,0,0,0,0|1,0,0]=3 227 B4R0.1 CC(C)=CBr 29713 [1,1,0,0,0,0|1,0,1]=4 228 B4R0.1 CC(C)CI 3951 [1,1,0,0,0,0|1,0,0]=3 229 B4R0.1 CC(C)NN 26972 [1,1,0,0,0,0|2,0,0]=4 230 B4R0.1 CC(O)CBr 12555 [1,1,0,0,0,0|1,0,0]=3 231 B4R0.1 CC=C(C)C 2026 [1,1,0,0,0,0|1,0,1]=4 232 B4R0.1 CCB(O)O 7960 [1,1,0,0,0,0|1,0,1]=4 233 B4R0.1 CCC(C)Br 3753 [1,1,0,0,0,0|0,0,1]=3 234 B4R0.1 CCC(C)I 3940 [1,1,0,0,0,0|0,0,1]=3 235 B4R0.1 CCC(C)O 6718 [1,1,0,0,0,0|0,0,1]=3 236 B4R0.1 CCC([NH-])=O 10938 [1,1,0,0,0,0|0,0,0]=2 237 B4R0.1 CCN(C)C 10322 [1,1,0,0,0,0|1,0,1]=4 238 B4R0.1 CCS(=O)[O-] 24643 [1,1,0,0,0,0|1,0,0]=3 239 B4R0.1 CC[C@@H](C)N 6741 [1,1,0,0,0,0|0,0,1]=3 240 B4R0.1 CC[C@@H](C)O 6717 [1,1,0,0,0,0|0,0,1]=3 241 B4R0.1 CC[C@H](C)N 6743 [1,1,0,0,0,0|0,0,1]=3 242 B4R0.1 CN(C)C=O 23341 [1,1,0,0,0,0|1,0,0]=3 243 B4R0.1 CNC(C)C 10279 [1,1,0,0,0,0|1,0,1]=4 244 B4R0.1 CNC(N)=S 35584 [1,1,0,0,0,0|1,1,0]=4 245 B4R0.1 COC(C)=N 2122 [1,1,0,0,0,0|2,0,0]=4 246 B4R0.1 COC(Cl)Cl 2376 [1,1,0,0,0,0|2,0,0]=4 247 B4R0.1 CSC(=N)N 20041 [1,1,0,0,0,0|2,0,0]=4 248 B4R0.1 C[C@@H](Cl)CO 8287 [1,1,0,0,0,0|0,0,1]=3 249 B4R0.1 C[C@@H](N)CN 29215 [1,1,0,0,0,0|1,0,0]=3 250 B4R0.1 C[C@@H](N)CO 9884 [1,1,0,0,0,0|0,0,1]=3 251 B4R0.1 C[C@@H](O)CBr 23955 [1,1,0,0,0,0|1,0,0]=3 252 B4R0.1 C[C@@H](O)CCl 14071 [1,1,0,0,0,0|1,0,0]=3 253 B4R0.1 C[C@@H](O)CI 23956 [1,1,0,0,0,0|1,0,0]=3 254 B4R0.1 C[C@@H](O)CN 5721 [1,1,0,0,0,0|1,0,0]=3 255 B4R0.1 C[C@@H](O)CO 5857 [1,1,0,0,0,0|0,0,1]=3 256 B4R0.1 C[C@H](Cl)CO 8285 [1,1,0,0,0,0|0,0,1]=3 257 B4R0.1 C[C@H](N)CN 15232 [1,1,0,0,0,0|1,0,0]=3 258 B4R0.1 C[C@H](N)CO 5710 [1,1,0,0,0,0|0,0,1]=3 259 B4R0.1 C[C@H](O)CBr 20478 [1,1,0,0,0,0|1,0,0]=3 260 B4R0.1 C[C@H](O)CCl 14072 [1,1,0,0,0,0|1,0,0]=3 261 B4R0.1 C[C@H](O)CN 5720 [1,1,0,0,0,0|1,0,0]=3 262 B4R0.1 C[C@H](O)CO 5853 [1,1,0,0,0,0|0,0,1]=3 263 B4R0.1 C\C=C(/C)Br 29073 [1,1,0,0,0,0|1,0,1]=4 264 B4R0.1 N=C(N)CCl 20222 [1,1,0,0,0,0|2,0,0]=4 265 B4R0.1 NC(=O)CBr 31995 [1,1,0,0,0,0|1,0,0]=3 266 B4R0.1 NC(=O)CI 12542 [1,1,0,0,0,0|1,0,0]=3 267 B4R0.1 NCC(=O)O 18924 [1,1,0,0,0,0|1,0,0]=3 268 B4R0.1 NCC(=O)[O-] 26210 [1,1,0,0,0,0|1,0,0]=3 269 B4R0.1 NCC(=O)[O-] 9921 [1,1,0,0,0,0|1,0,0]=3 270 B4R0.1 NCC(N)=O 13019 [1,1,0,0,0,0|1,0,0]=3 271 B4R0.1 NNC(N)=O 15701 [1,1,0,0,0,0|2,0,0]=4 272 B4R0.1 O=C(Cl)CBr 24880 [1,1,0,0,0,0|1,0,0]=3 273 B4R0.1 O=C(O)CBr 13144 [1,1,0,0,0,0|1,0,0]=3 274 B4R0.1 O=CC(=O)O 19965 [1,1,0,0,0,0|1,0,1]=4 275 B4R0.1 OCC(F)F 26977 [1,1,0,0,0,0|1,0,1]=4 276 B4R0.1 PCC(Cl)Cl 6479 [1,1,0,0,0,0|2,0,0]=4 277 B4R0.1 [C-]#[N+]C(C)C 29396 [1,1,0,0,0,0|1,0,1]=4 278 B6R0.1 C#CC(=O)OCC 4070 [0,2,0,0,0,0|1,0,0]=3 279 B6R0.1 C=CC(=O)OCC 24719 [0,2,0,0,0,0|1,0,0]=3 280 B6R0.1 CC#CC(=O)OC 12783 [0,2,0,0,0,0|0,0,2]=4 281 B6R0.1 CCC(C)CCO 35939 [0,2,0,0,0,0|0,0,2]=4 282 B6R0.1 CCOC(=N)CCl 44863 [0,2,0,0,0,0|2,0,0]=4 283 B6R0.1 CCOC(=O)C#N 26282 [0,2,0,0,0,0|1,0,0]=3 284 B6R0.1 CCOC(=O)C=O 27307 [0,2,0,0,0,0|0,0,1]=3 285 B6R0.1 CCOC(=O)CF 23757 [0,2,0,0,0,0|1,0,0]=3 286 B6R0.1 CCOC(=O)CN 10926 [0,2,0,0,0,0|1,0,0]=3 287 B6R0.1 CCOC(=O)NO 12451 [0,2,0,0,0,0|1,0,0]=3 288 B6R0.1 CC\C=C(/C)C=O 36081 [0,2,0,0,0,0|0,0,1]=3 289 B6R0.1 CNCC(=O)OC 10901 [0,2,0,0,0,0|1,0,0]=3 290 B6R0.1 COC(=O)CCBr 19970 [0,2,0,0,0,0|1,0,0]=3 291 B6R0.1 COC(=O)CCN 10900 [0,2,0,0,0,0|1,0,0]=3 292 B6R0.1 COC(=O)NC=O 23790 [0,2,0,0,0,0|1,0,1]=4 293 B6R0.1 COC(C)CCO 35942 [0,2,0,0,0,0|0,0,2]=4 294 B6R0.1 C[C@H](CO)CCO 30370 [0,2,0,0,0,0|0,0,2]=4 295 B6R0.1 N#CCC(=O)NN 45189 [0,2,0,0,0,0|1,0,1]=4 296 B6R0.1 N#CC[C@@H](O)CCl 6274 [0,2,0,0,0,0|1,0,1]=4 297 B6R0.1 N#CC[C@H](O)CCl 5929 [0,2,0,0,0,0|1,0,1]=4 298 B6R0.1 O=C(CBr)CCBr 35308 [0,2,0,0,0,0|1,0,0]=3 299 B6R0.1 OCC[C@@H](O)CO 29018 [0,2,0,0,0,0|0,0,2]=4 300 B6R0.1 [C-]#[N+]CC(=O)OC 36045 [0,2,0,0,0,0|1,0,1]=4 301 B6R0.2 CC(=O)\C=C(/C)N 12810 [0,2,0,0,0,0|0,0,2]=4 302 B6R0.2 CC(C)=CC(=O)Cl 35639 [0,2,0,0,0,0|0,0,2]=4 303 B6R0.2 CC(C)=CC(=O)O 21295 [0,2,0,0,0,0|0,0,2]=4 304 B6R0.2 CC(C)CB(O)O 7976 [0,2,0,0,0,0|1,0,1]=4 305 B6R0.2 CC(C)O[N+](=O)[O-] 17254 [0,2,0,0,0,0|2,0,0]=4 306 B6R0.2 CC(Cl)OC(=O)Cl 17418 [0,2,0,0,0,0|1,0,0]=3 307 B6R0.2 CC(N)CN(C)C 21318 [0,2,0,0,0,0|2,0,0]=4 308 B6R0.2 CC(O)CC(=O)O 13860 [0,2,0,0,0,0|0,0,0]=2 309 B6R0.2 CN(C)CC(=O)O 21520 [0,2,0,0,0,0|1,0,0]=3 310 B6R0.2 C[C@@H](N)CC(=O)O 30087 [0,2,0,0,0,0|0,0,0]=2 311 B6R0.2 C[C@@H](O)C[C@@H](C)O 6726 [0,2,0,0,0,0|0,0,2]=4 312 B6R0.2 C[C@H](N)CC(=O)O 13856 [0,2,0,0,0,0|0,0,0]=2 313 B6R0.2 C[C@H](N)CN(C)C 31826 [0,2,0,0,0,0|2,0,0]=4 314 B6R0.2 C[C@H](O)C[C@H](C)O 6728 [0,2,0,0,0,0|0,0,2]=4 315 B6R0.2 NC(=O)C[N+](=O)[O-] 33395 [0,2,0,0,0,0|2,0,0]=4 316 B6R0.2 O=C(O)CC(=O)O 35063 [0,2,0,0,0,0|1,0,1]=4 317 B6R0.2 O=C(O)C[N+](=O)[O-] 17232 [0,2,0,0,0,0|2,0,0]=4 318 B6R0.3 C=CC(N)C(=O)O 21785 [0,2,0,0,0,0|0,0,2]=4 319 B6R0.3 C=C[C@@H](N)C(=O)O 21787 [0,2,0,0,0,0|0,0,2]=4 320 B6R0.3 C=C[C@H](N)C(=O)O 21786 [0,2,0,0,0,0|0,0,2]=4 321 B6R0.3 C=C[C@H](N)C(=O)O 29432 [0,2,0,0,0,0|0,0,2]=4 322 B6R0.3 CC(C)[C@@H](N)CO 5789 [0,2,0,0,0,0|0,0,2]=4 323 B6R0.3 CC(C)[C@H](N)CO 5790 [0,2,0,0,0,0|0,0,2]=4 324 B6R0.3 CC(CN)C(=O)O 21922 [0,2,0,0,0,0|1,0,0]=3 325 B6R0.3 CC(CN)C(=O)O 30383 [0,2,0,0,0,0|1,0,0]=3 326 B6R0.3 CCC(=O)C(=O)O 24837 [0,2,0,0,0,0|0,0,1]=3 327 B6R0.3 CCC(=O)C(=O)[O-] 17406 [0,2,0,0,0,0|0,0,1]=3 328 B6R0.3 CCC(Br)C(=O)O 14564 [0,2,0,0,0,0|0,0,0]=2 329 B6R0.3 CCC(C)B(O)O 29484 [0,2,0,0,0,0|1,0,1]=4 330 B6R0.3 CCC(N)C(=O)O 27168 [0,2,0,0,0,0|0,0,0]=2 331 B6R0.3 CCN(C)C(=O)Cl 16066 [0,2,0,0,0,0|1,0,0]=3 332 B6R0.3 CC[C@@H](Br)C(=O)O 36160 [0,2,0,0,0,0|0,0,0]=2 333 B6R0.3 CC[C@@H](C)C(=O)O 32186 [0,2,0,0,0,0|0,0,0]=2 334 B6R0.3 CC[C@@H](N)C(=O)O 13431 [0,2,0,0,0,0|0,0,0]=2 335 B6R0.3 CC[C@@H](N)C(=O)O 15607 [0,2,0,0,0,0|0,0,0]=2 336 B6R0.3 CC[C@H](Br)C(=O)O 8279 [0,2,0,0,0,0|0,0,0]=2 337 B6R0.3 CC[C@H](C)C(=O)O 36048 [0,2,0,0,0,0|0,0,0]=2 338 B6R0.3 CC[C@H](C)C(=O)O 36048 [0,2,0,0,0,0|0,0,0]=2 339 B6R0.3 CC[C@H](N)B(O)O 33648 [0,2,0,0,0,0|1,0,1]=4 340 B6R0.3 CC[C@H](N)B(O)O 33649 [0,2,0,0,0,0|1,0,1]=4 341 B6R0.3 CC[C@H](N)C(=O)O 16473 [0,2,0,0,0,0|0,0,0]=2 342 B6R0.3 CC[C@H](N)C(=O)O 16477 [0,2,0,0,0,0|0,0,0]=2 343 B6R0.3 CC[C@H](N)C(N)=O 28166 [0,2,0,0,0,0|0,0,0]=2 344 B6R0.3 CC[C@H](N)C(N)=O 5725 [0,2,0,0,0,0|0,0,0]=2 345 B6R0.3 CC[C@H](O)C(=O)O 8265 [0,2,0,0,0,0|0,0,0]=2 346 B6R0.3 CN[C@@H](C)C(=O)O 24906 [0,2,0,0,0,0|1,0,0]=3 347 B6R0.3 COC(=O)C(C)=O 35415 [0,2,0,0,0,0|1,0,1]=4 348 B6R0.3 CON(C)C(C)=O 12775 [0,2,0,0,0,0|2,0,0]=4 349 B6R0.3 C[C@H](CO)C(=O)O 14230 [0,2,0,0,0,0|1,0,0]=3 350 B6R0.3 C\C=C(/C)C(=O)O 30426 [0,2,0,0,0,0|0,0,2]=4 351 B6R0.3 NC(=O)[C@@H](N)CO 26034 [0,2,0,0,0,0|1,0,0]=3 352 B6R0.3 NC(CO)C(=O)O 11003 [0,2,0,0,0,0|1,0,0]=3 353 B6R0.3 NC(CS)C(=O)O 12372 [0,2,0,0,0,0|1,0,0]=3 354 B6R0.3 NCC(N)C(=O)O 13822 [0,2,0,0,0,0|1,0,0]=3 355 B6R0.3 NCC(O)C(=O)O 23947 [0,2,0,0,0,0|1,0,0]=3 356 B6R0.3 NC[C@@H](N)C(=O)O 13823 [0,2,0,0,0,0|1,0,0]=3 357 B6R0.3 NC[C@H](N)C(=O)O 13356 [0,2,0,0,0,0|1,0,0]=3 358 B6R0.3 NC[C@H](N)C(=O)O 13818 [0,2,0,0,0,0|1,0,0]=3 359 B6R0.3 NC[C@H](O)C(=O)O 26012 [0,2,0,0,0,0|1,0,0]=3 360 B6R0.3 N[C@@H](CO)C(=O)O 10994 [0,2,0,0,0,0|1,0,0]=3 361 B6R0.3 N[C@@H](CS)C(=O)O 19006 [0,2,0,0,0,0|1,0,0]=3 362 B6R0.3 N[C@@H](CS)C(=O)O 19010 [0,2,0,0,0,0|1,0,0]=3 363 B6R0.3 N[C@@H](CS)C(=O)O 23844 [0,2,0,0,0,0|1,0,0]=3 364 B6R0.3 N[C@H](CO)C(=O)O 10704 [0,2,0,0,0,0|1,0,0]=3 365 B6R0.3 N[C@H](CS)C(=O)O 12314 [0,2,0,0,0,0|1,0,0]=3 366 B6R0.3 N[C@H](CS)C(=O)O 16838 [0,2,0,0,0,0|1,0,0]=3 367 B6R0.3 N[C@H](CS)C(=O)O 23177 [0,2,0,0,0,0|1,0,0]=3 368 B6R0.3 N[C@H](CS)C(=O)O 29024 [0,2,0,0,0,0|1,0,0]=3 369 B6R0.4 C#CCCC(=O)O 32190 [0,2,0,0,0,0|0,0,1]=3 370 B6R0.4 C=C(C)CNCC 10272 [0,2,0,0,0,0|1,0,0]=3 371 B6R0.4 C=CCCC(=O)O 20009 [0,2,0,0,0,0|0,0,1]=3 372 B6R0.4 C=CCOC(=O)Cl 20427 [0,2,0,0,0,0|0,0,2]=4 373 B6R0.4 CC(=O)CCCCl 17207 [0,2,0,0,0,0|0,0,0]=2 374 B6R0.4 CC(=O)NCCN 19141 [0,2,0,0,0,0|1,0,0]=3 375 B6R0.4 CC(=O)OCCBr 19081 [0,2,0,0,0,0|1,0,0]=3 376 B6R0.4 CC(Br)CCCBr 12546 [0,2,0,0,0,0|1,0,1]=4 377 B6R0.4 CC(C)NCCN 8612 [0,2,0,0,0,0|1,0,1]=4 378 B6R0.4 CCCCB(O)O 1765 [0,2,0,0,0,0|0,0,2]=4 379 B6R0.4 CCCCC(=O)Cl 21358 [0,2,0,0,0,0|0,0,0]=2 380 B6R0.4 CCCCC(=O)[O-] 27064 [0,2,0,0,0,0|0,0,0]=2 381 B6R0.4 CCCC[C@@H](C)N 6753 [0,2,0,0,0,0|1,0,1]=4 382 B6R0.4 CCCC[C@@H](C)O 6730 [0,2,0,0,0,0|0,0,2]=4 383 B6R0.4 CCCC[C@H](C)N 6750 [0,2,0,0,0,0|1,0,1]=4 384 B6R0.4 CCCC[C@H](C)O 6732 [0,2,0,0,0,0|0,0,2]=4 385 B6R0.4 CCNCC(=O)O 23122 [0,2,0,0,0,0|0,0,0]=2 386 B6R0.4 CC\C=C\C(C)=O 32068 [0,2,0,0,0,0|0,0,1]=3 387 B6R0.4 CN(C)CCCCl 20698 [0,2,0,0,0,0|1,0,1]=4 388 B6R0.4 CNCCC(C)C 16229 [0,2,0,0,0,0|1,0,1]=4 389 B6R0.4 COCCC(O)Br 10478 [0,2,0,0,0,0|0,0,2]=4 390 B6R0.4 CO\C=C\C(C)=O 28206 [0,2,0,0,0,0|0,0,2]=4 391 B6R0.4 O=C(Cl)CCCCl 32347 [0,2,0,0,0,0|0,0,0]=2 392 B6R0.4 O=C(O)CCCBr 3754 [0,2,0,0,0,0|0,0,0]=2 393 B6R0.4 O=C(O)CCCS 36247 [0,2,0,0,0,0|0,0,0]=2 394 B6R0.5 C=CC[Si](C)(C)C 13670 [0,2,0,0,0,0|1,1,0]=4 395 B6R0.5 CC(C)(C)CC=O 3076 [0,2,0,0,0,0|0,0,0]=2 396 B6R0.5 CC(C)(C)CCO 3096 [0,2,0,0,0,0|0,0,2]=4 397 B6R0.5 CCCP(=O)(O)O 35052 [0,2,0,0,0,0|1,0,0]=3 398 B6R0.5 CCCS(=O)(=O)Cl 24570 [0,2,0,0,0,0|1,0,0]=3 399 B6R0.5 CS(=O)(=O)CCN 35369 [0,2,0,0,0,0|2,0,0]=4 400 B6R0.5 NCCP(=O)(O)O 24873 [0,2,0,0,0,0|2,0,0]=4 401 B6R0.5 NCCP(=O)(O)O 24874 [0,2,0,0,0,0|2,0,0]=4 402 B6R0.5 NCCS(=O)(=O)O 18250 [0,2,0,0,0,0|2,0,0]=4 403 B6R0.5 NCCS(=O)(=O)[O-] 35035 [0,2,0,0,0,0|2,0,0]=4 404 B6R0.6 BrCCCCCBr 3909 [0,2,0,0,0,0|1,0,1]=4 405 B6R0.6 C#CCCCCC 13058 [0,2,0,0,0,0|1,0,1]=4 406 B6R0.6 C#CCCCCO 13078 [0,2,0,0,0,0|0,0,2]=4 407 B6R0.6 C=COCCON 44715 [0,2,0,0,0,0|2,0,0]=4 408 B6R0.6 CC#CCCCO 13089 [0,2,0,0,0,0|0,0,2]=4 409 B6R0.6 CCCC#CCO 13064 [0,2,0,0,0,0|0,0,2]=4 410 B6R0.6 CCCCCC=O 3077 [0,2,0,0,0,0|0,0,0]=2 411 B6R0.6 CCCCCCBr 3776 [0,2,0,0,0,0|1,0,1]=4 412 B6R0.6 CCCCCCI 3945 [0,2,0,0,0,0|1,0,1]=4 413 B6R0.6 CCCCNCC 10254 [0,2,0,0,0,0|1,0,1]=4 414 B6R0.6 CCCCOCC 12525 [0,2,0,0,0,0|0,0,2]=4 415 B6R0.6 CCCOCCCl 14348 [0,2,0,0,0,0|1,0,1]=4 416 B6R0.6 CCC\C=C\CO 18917 [0,2,0,0,0,0|0,0,1]=3 417 B6R0.6 CCOCCC#N 24829 [0,2,0,0,0,0|1,0,1]=4 418 B6R0.6 CCOCCCO 1937 [0,2,0,0,0,0|0,0,2]=4 419 B6R0.6 COCCCCCl 1935 [0,2,0,0,0,0|0,0,2]=4 420 B6R0.6 COCCCCO 1938 [0,2,0,0,0,0|0,0,2]=4 421 B6R0.6 COCCOCCl 10093 [0,2,0,0,0,0|1,0,1]=4 422 B6R0.6 ClCCCCCBr 15271 [0,2,0,0,0,0|1,0,1]=4 423 B6R0.6 ClCCNCCCl 14168 [0,2,0,0,0,0|1,0,1]=4 424 B6R0.6 ClCCOCCCl 18689 [0,2,0,0,0,0|1,0,1]=4 425 B6R0.6 ICCCCCI 3853 [0,2,0,0,0,0|1,0,1]=4 426 B6R0.6 N#CCCCC#N 15199 [0,2,0,0,0,0|1,0,1]=4 427 B6R0.6 N#CCCCCBr 26949 [0,2,0,0,0,0|1,0,1]=4 428 B6R0.6 N#CCCCCCl 25473 [0,2,0,0,0,0|1,0,1]=4 429 B6R0.6 NCCOCCN 31824 [0,2,0,0,0,0|1,0,1]=4 430 B6R0.6 NCCOCCN 31825 [0,2,0,0,0,0|1,0,1]=4 431 B6R0.6 O=CCCCCCl 27418 [0,2,0,0,0,0|0,0,0]=2 432 B6R0.6 OCCCCCBr 22989 [0,2,0,0,0,0|0,0,2]=4 433 B6R0.6 OCCSCCO 35355 [0,2,0,0,0,0|0,0,2]=4 434 B6R0.9 C=CC(OC)OC 23316 [0,2,0,0,0,0|2,0,0]=4 435 B4R1.1 C1CNC1 22634 [1,0,0,1,0,0|1,0,0]=3 436 B4R1.2 BrC1CC1 14417 [1,0,0,1,0,0|1,0,0]=3 437 B4R1.2 CC1=CC1 18904 [1,0,0,1,0,0|0,0,1]=3 438 B4R1.2 C[C@@H]1CO1 5829 [1,0,0,1,0,0|0,0,1]=3 439 B4R1.2 C[C@H]1CO1 5828 [1,0,0,1,0,0|0,0,1]=3 440 B4R1.2 OC1CC1 34599 [1,0,0,1,0,0|0,0,1]=3 441 B6R1.2 BrC1=CCCC1 29715 [0,1,0,1,0,0|1,0,0]=3 442 B6R1.2 BrC1CCOC1 26260 [0,1,0,1,0,0|0,0,2]=4 443 B6R1.2 CC1=NCCC1 9412 [0,1,0,1,0,0|1,0,0]=3 444 B6R1.2 CC1=NCCN1 10179 [0,1,0,1,0,0|2,0,0]=4 445 B6R1.2 CC1CCCN1 11112 [0,1,0,1,0,0|1,0,1]=4 446 B6R1.2 CC1CCCN1 9410 [0,1,0,1,0,0|1,0,1]=4 447 B6R1.2 CC1CCCO1 10841 [0,1,0,1,0,0|0,0,2]=4 448 B6R1.2 CC1CCCS1 12832 [0,1,0,1,0,0|0,1,1]=4 449 B6R1.2 CC1CCNC1 19859 [0,1,0,1,0,0|1,0,1]=4 450 B6R1.2 CN1CCCC1 11143 [0,1,0,1,0,0|1,0,1]=4 451 B6R1.2 C[C@@H]1CCCN1 11117 [0,1,0,1,0,0|1,0,1]=4 452 B6R1.2 C[C@@H]1CCCN1 15593 [0,1,0,1,0,0|1,0,1]=4 453 B6R1.2 C[C@H]1CCCN1 11115 [0,1,0,1,0,0|1,0,1]=4 454 B6R1.2 C[C@H]1CCCN1 15594 [0,1,0,1,0,0|1,0,1]=4 455 B6R1.2 F[C@H]1CCNC1 35776 [0,1,0,1,0,0|1,0,1]=4 456 B6R1.2 NC1=NCCC1 32058 [0,1,0,1,0,0|1,0,0]=3 457 B6R1.2 NC1=NCCS1 17230 [0,1,0,1,0,0|1,1,0]=4 458 B6R1.2 NC1CCNC1 20096 [0,1,0,1,0,0|1,0,1]=4 459 B6R1.2 NC1CCNC1 30371 [0,1,0,1,0,0|1,0,1]=4 460 B6R1.2 NC1CCNC1 9196 [0,1,0,1,0,0|1,0,1]=4 461 B6R1.2 NC1CCOC1 20203 [0,1,0,1,0,0|0,0,2]=4 462 B6R1.2 NC1CCOC1 24733 [0,1,0,1,0,0|0,0,2]=4 463 B6R1.2 NN1CCCC1 4032 [0,1,0,1,0,0|1,0,1]=4 464 B6R1.2 NN1CCCC1 9801 [0,1,0,1,0,0|1,0,1]=4 465 B6R1.2 N[C@@H]1CCNC1 5728 [0,1,0,1,0,0|1,0,1]=4 466 B6R1.2 N[C@@H]1CCNC1 5730 [0,1,0,1,0,0|1,0,1]=4 467 B6R1.2 N[C@@H]1CCOC1 12612 [0,1,0,1,0,0|0,0,2]=4 468 B6R1.2 N[C@@H]1CCOC1 15496 [0,1,0,1,0,0|0,0,2]=4 469 B6R1.2 N[C@H]1CCNC1 11156 [0,1,0,1,0,0|1,0,1]=4 470 B6R1.2 N[C@H]1CCNC1 5729 [0,1,0,1,0,0|1,0,1]=4 471 B6R1.2 N[C@H]1CCOC1 15126 [0,1,0,1,0,0|0,0,2]=4 472 B6R1.2 O=C1C=CCC1 9803 [0,1,0,1,0,0|0,0,1]=3 473 B6R1.2 O=C1C=CCN1 23871 [0,1,0,1,0,0|0,0,2]=4 474 B6R1.2 O=C1CC=CC1 12654 [0,1,0,1,0,0|0,0,1]=3 475 B6R1.2 O=C1CC=NN1 23623 [0,1,0,1,0,0|1,0,1]=4 476 B6R1.2 O=C1CCCC1 30304 [0,1,0,1,0,0|0,0,0]=2 477 B6R1.2 O=C1CCCN1 19110 [0,1,0,1,0,0|0,0,0]=2 478 B6R1.2 O=C1CCNC1 21931 [0,1,0,1,0,0|0,0,0]=2 479 B6R1.2 O=C1CCOC1 15127 [0,1,0,1,0,0|0,0,0]=2 480 B6R1.2 O=C1CCSC1 5575 [0,1,0,1,0,0|0,0,0]=2 481 B6R1.2 O=C1CNCN1 23395 [0,1,0,1,0,0|1,0,0]=3 482 B6R1.2 O=C1NCCO1 8624 [0,1,0,1,0,0|1,0,0]=3 483 B6R1.2 O=C1NCCS1 14582 [0,1,0,1,0,0|1,0,0]=3 484 B6R1.2 O=S1CCCC1 12544 [0,1,0,1,0,0|0,0,1]=3 485 B6R1.2 O=S1OCCO1 1901 [0,1,0,1,0,0|2,0,0]=4 486 B6R1.2 OC1=NNCC1 44776 [0,1,0,1,0,0|1,0,1]=4 487 B6R1.2 OC1CC=CC1 29044 [0,1,0,1,0,0|1,0,0]=3 488 B6R1.2 OC1CCCC1 20387 [0,1,0,1,0,0|0,0,2]=4 489 B6R1.2 OC1CCNC1 11118 [0,1,0,1,0,0|0,0,2]=4 490 B6R1.2 OC1CCNC1 17435 [0,1,0,1,0,0|0,0,2]=4 491 B6R1.2 O[C@@H]1CCNC1 7469 [0,1,0,1,0,0|0,0,2]=4 492 B6R1.2 O[C@@H]1CCOC1 11341 [0,1,0,1,0,0|0,0,2]=4 493 B6R1.2 O[C@@H]1CCOC1 7071 [0,1,0,1,0,0|0,0,2]=4 494 B6R1.2 O[C@H]1CCNC1 14064 [0,1,0,1,0,0|0,0,2]=4 495 B6R1.2 O[C@H]1CCNC1 15695 [0,1,0,1,0,0|0,0,2]=4 496 B6R1.2 O[C@H]1CCNC1 8981 [0,1,0,1,0,0|0,0,2]=4 497 B6R1.2 O[C@H]1CCOC1 16209 [0,1,0,1,0,0|0,0,2]=4 498 B6R1.2 S=C1CCCN1 20272 [0,1,0,1,0,0|0,1,0]=3 499 B6R1.2 S=C1NCCS1 14579 [0,1,0,1,0,0|1,1,0]=4 500 B6R1.3 COC[C@@H]1CO1 5856 [0,1,0,1,0,0|0,0,2]=4 501 B6R1.3 COC[C@H]1CO1 5851 [0,1,0,1,0,0|0,0,2]=4 502 B6R1.3 CONC1CC1 25856 [0,1,0,1,0,0|1,0,1]=4 503 B6R1.3 N#CCC1CC1 28859 [0,1,0,1,0,0|1,0,1]=4 504 B6R1.3 NCCN1CC1 14229 [0,1,0,1,0,0|1,0,1]=4 505 B6R1.3 OCCC1CC1 28819 [0,1,0,1,0,0|0,0,2]=4 506 B6R1.3 S=C=NC1CC1 22785 [0,1,0,1,0,0|0,1,1]=4 507 B6R1.5 NC1CC(=O)C1 16442 [0,1,0,1,0,0|0,0,0]=2 508 B6R1.10 CC1(C)CNC1 30379 [0,1,0,1,0,0|2,0,0]=4 509 B6R1.10 CC1(N)COC1 14416 [0,1,0,1,0,0|2,0,0]=4 510 B6R1.10 CC1(N)COC1 23160 [0,1,0,1,0,0|2,0,0]=4 511 B6R1.10 O=S1(=O)CCC1 25943 [0,1,0,1,0,0|1,0,0]=3 512 B6R1.11 CC(=O)C1CC1 16205 [0,1,0,1,0,0|0,0,0]=2 513 B6R1.11 N=C(N)C1CC1 9046 [0,1,0,1,0,0|1,0,0]=3 514 B6R1.11 NC(=O)C1CC1 21401 [0,1,0,1,0,0|0,0,0]=2 515 B6R1.11 NC(=S)C1CC1 29327 [0,1,0,1,0,0|0,1,0]=3 516 B6R1.11 O=C(Cl)C1CC1 10555 [0,1,0,1,0,0|0,0,0]=2 517 B6R1.11 O=C(O)C1CC1 10557 [0,1,0,1,0,0|0,0,0]=2 518 B6R1.11 O=C([O-])C1CO1 26336 [0,1,0,1,0,0|1,0,0]=3 519 B6R1.11 OB(O)C1CC1 4014 [0,1,0,1,0,0|1,0,1]=4 520 B6R1.1 C1=COCCC1 9508 [0,1,0,1,0,0|0,0,1]=3 521 B6R1.1 C1CCNCC1 21964 [0,1,0,1,0,0|1,0,1]=4 522 B6R1.1 C1CCNCC1 7701 [0,1,0,1,0,0|1,0,1]=4 523 B6R1.1 C1CCOCC1 9509 [0,1,0,1,0,0|0,0,2]=4 524 B6R1.1 C1CCSCC1 10562 [0,1,0,1,0,0|0,1,1]=4 525 B6R1.1 C1CNCCN1 19047 [0,1,0,1,0,0|1,0,1]=4 526 B6R1.1 C1CNCCN1 24459 [0,1,0,1,0,0|1,0,1]=4 527 B6R1.1 C1COCCN1 15002 [0,1,0,1,0,0|0,0,2]=4 528 B6R1.1 C1COCCN1 18231 [0,1,0,1,0,0|0,0,2]=4 529 B6R1.1 C1CSCCN1 15746 [0,1,0,1,0,0|0,1,1]=4 530 B6R1.6 BrCC1CCC1 23272 [0,1,0,1,0,0|1,0,1]=4 531 B6R1.6 N#CC1CCC1 25445 [0,1,0,1,0,0|1,0,1]=4 532 B6R1.6 N#CC1CNC1 20560 [0,1,0,1,0,0|1,0,1]=4 533 B6R1.6 NCC1CCC1 21304 [0,1,0,1,0,0|1,0,1]=4 534 B6R1.6 NCC1COC1 23208 [0,1,0,1,0,0|1,0,1]=4 535 B6R1.6 O=CC1CCC1 23840 [0,1,0,1,0,0|0,0,0]=2 536 B6R1.6 OCC1CCC1 23465 [0,1,0,1,0,0|0,0,2]=4 537 B6R1.6 OCC1CNC1 19094 [0,1,0,1,0,0|0,0,2]=4 538 B6R1.6 OCC1COC1 29376 [0,1,0,1,0,0|0,0,2]=4 539 B6R1.7 C#CC1(N)CC1 29020 [0,1,0,1,0,0|1,0,1]=4 540 B6R1.7 N#CC1(N)CC1 16832 [0,1,0,1,0,0|1,0,1]=4 541 B6R1.7 NC1(CO)CC1 24736 [0,1,0,1,0,0|0,0,2]=4 542 B6R1.7 NC1(CO)CC1 25828 [0,1,0,1,0,0|0,0,2]=4 543 B6R1.7 NCC1(O)CC1 23773 [0,1,0,1,0,0|1,0,1]=4