0 B6R0.5 C#CC[N+](C)(C)C D93235 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.5 C#CC[Si](C)(C)C I10158 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.5 C=CC[Si](C)(C)C 76453 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.5 C=CC[Si](C)(C)Cl D88404 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.5 C=COC(C)(C)C 28752 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.5 C=CO[Si](C)(C)C H11371 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.5 CC#C[Si](C)(C)C 28416 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.5 CC(C)(C)CC=O 60546 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.5 CC(C)(C)CCBr 29514 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.5 CC(C)(C)CCCl D95900 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.5 CC(C)(C)CCO 61808 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.5 CC(C)(C)N=C=S D95911 [0,0,0,0,0,0|2,1,1]=4 12 B6R0.5 CC(C)(C)NC=O D88776 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.5 CC(C)(N)CCO F13529 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.5 CC(C)(O)CC#N D88032 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.5 CC(C)(O)CCBr RB3141 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.5 CC(C)(S)CCO D91597 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.5 CCCC(C)(C)Cl H10235 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.5 CNCC(C)(C)C D94980 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.5 CNCC(C)(C)C F20240 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.5 CNCC(C)(C)O W12311 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.5 COCC(C)(C)N 28354 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.5 COCC(C)(C)N 32588 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.5 COCC(C)(C)O 67570 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.5 CS(=O)(=O)CCCl 72256 [0,0,0,0,0,0|4,0,0]=4 25 B6R0.5 CS(=O)(=O)CCN AR2651 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.5 CS(=O)(=O)CCN C77681 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.5 CS(=O)(=O)CCO D73179 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.5 C[N+](C)(C)CCBr D88668 [0,0,0,0,0,0|1,0,0]=1 29 B6R0.5 C[N+](C)(C)CCCl C10106 [0,0,0,0,0,0|1,0,0]=1 30 B6R0.5 C[N+](C)(C)CCO D70213 [0,0,0,0,0,0|0,0,0]=0 31 B6R0.5 C[N+](C)(C)CCO D70215 [0,0,0,0,0,0|0,0,0]=0 32 B6R0.5 C[N+](C)(C)CCO D78341 [0,0,0,0,0,0|0,0,0]=0 33 B6R0.5 C[N+](C)(C)CCO D89232 [0,0,0,0,0,0|0,0,0]=0 34 B6R0.5 C[Si](C)(C)C#CI I11303 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.5 C[Si](C)(C)CC#N AC8644 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.5 C[Si](C)(C)CCO 75284 [0,0,0,0,0,0|1,0,0]=1 37 B6R0.5 C[Si](C)(C)N=C=O D92451 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.5 C[Si](C)(C)N=[N+]=[N-] D92395 [0,0,0,0,0,0|4,0,0]=4 39 B6R0.5 O=S(=O)(O)CCO A10809 [0,0,0,0,0,0|4,0,0]=4 40 B6R0.5 OCCC(F)(F)F 29133 [0,0,0,0,0,0|4,0,0]=4 41 B5R0.1 C=C(C)CCBr 80247 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 C=CCN(C)C D89797 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.1 CC(=O)CCCl F20480 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CC(=O)CCO 55787 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 CC(=O)NCO FD10622 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.1 CC(C)=CCBr 75658 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 CC(C)=CCO F20316 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.1 CC(C)CC#N 30285 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 CC(C)CNN 86152 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.1 CC(C)CON H10571 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.1 CCC[C@H](C)N 28967 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 CCC[C@H](C)O RB3003 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.1 CCC[C@H](C)O T72186 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.1 CCNC(C)C D77967 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 CCO[SiH](C)C I11477 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 CN(C)CC=O O10521 [1,0,0,0,0,0|0,0,3]=4 57 B5R0.1 CN(C)CCBr O10701 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.1 CN(C)CCCl D77997 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.1 CN(C)CCN S12293 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 CN(C)CCS 35911 [1,0,0,0,0,0|0,1,1]=3 61 B5R0.1 C[C@H](Cl)CCCl D89632 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.1 C[C@H](N)CCO 36141 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.1 C[C@H](N)CCO 36142 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 C[C@H](N)CCO F11725 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.1 C[C@H](O)CCO 55765 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.1 C[C@H](O)CCO O10183 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.1 C[NH2+]CC(C)C D91375 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.1 O=C(O)CCO 77998 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.1 O=[N+]([O-])CCO AC1643 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.4 C#CC(C)(C)C F15435 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.4 C#C[Si](C)(C)C 76805 [1,0,0,0,0,0|1,0,2]=4 72 B5R0.4 C=CC(C)(C)C D89799 [1,0,0,0,0,0|1,0,2]=4 73 B5R0.4 C=C[Si](C)(C)C 76807 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.4 CC(C)(C)C#N 75299 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.4 CC(C)(C)CBr D78161 [1,0,0,0,0,0|2,0,0]=3 76 B5R0.4 CC(C)(C)CCl D89303 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.4 CC(C)(C)CI AT22032 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.4 CC(C)(C)CN C10662 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.4 CC(C)(C)CN H10567 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.4 CC(C)(C)CO D78368 [1,0,0,0,0,0|1,0,0]=2 81 B5R0.4 CC(C)(C)N=O D95969 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.4 CC(C)(C)NN D70845 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.4 CC(C)(C)NO 77596 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.4 CC(C)(C)NO 77597 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.4 CC(C)(C)ON 29937 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.4 CC(C)(N)CN 22841 [1,0,0,0,0,0|3,0,0]=4 87 B5R0.4 CC(C)(N)CO P20005 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.4 CC(C)(O)CCl 28897 [1,0,0,0,0,0|3,0,0]=4 89 B5R0.4 CC(C)(O)CN 24534 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.4 CC(C)(O)CN 62304 [1,0,0,0,0,0|3,0,0]=4 91 B5R0.4 CC(C)(O)CO 31979 [1,0,0,0,0,0|2,0,0]=3 92 B5R0.4 CC(C)(S)CN 39451 [1,0,0,0,0,0|3,0,0]=4 93 B5R0.4 CC(F)(F)CO 60421 [1,0,0,0,0,0|3,0,0]=4 94 B5R0.4 CCC(C)(C)Br D88670 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.4 CCC(C)(C)[O-] D94775 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.4 CCS(C)(=O)=O A10776 [1,0,0,0,0,0|3,0,0]=4 97 B5R0.4 CC[N+](C)(C)C D90453 [1,0,0,0,0,0|0,0,0]=1 98 B5R0.4 CNC(C)(C)C D94509 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.4 CO[Si](C)(C)C D94568 [1,0,0,0,0,0|2,0,0]=3 100 B5R0.4 CSC(C)(C)C D88816 [1,0,0,0,0,0|2,0,0]=3 101 B5R0.4 C[Si](C)(C)CBr D88871 [1,0,0,0,0,0|2,0,0]=3 102 B5R0.4 C[Si](C)(C)CI D73359 [1,0,0,0,0,0|2,0,0]=3 103 B5R0.4 C[Si](C)(C)CO S12036 [1,0,0,0,0,0|1,0,0]=2 104 B5R0.4 C[Si](C)(Cl)CBr D88701 [1,0,0,0,0,0|3,0,0]=4 105 B5R0.4 C[Si](C)(Cl)CCl I11126 [1,0,0,0,0,0|3,0,0]=4 106 B5R0.4 [C-]#[N+]C(C)(C)C I11390 [1,0,0,0,0,0|2,0,1]=4 107 B7R0.8 C#CCO[Si](C)(C)C O12158 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.8 C=CCC[Si](C)(C)C D93230 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.8 C=CCNC(C)(C)C D88524 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.8 C=CCO[Si](C)(C)C D88353 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.8 CC(C)(C)NCCN W18588 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.8 CC(C)(C)OCCO AT13966 [0,1,0,0,0,0|1,0,0]=2 113 B7R0.8 CCC#C[Si](C)(C)C C75915 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.8 CCCCC(C)(C)O D91354 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.8 CCCC[N+](C)(C)C D89168 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.8 CCCC[N+](C)(C)C D97448 [0,1,0,0,0,0|1,0,0]=2 117 B7R0.8 CCCC[Si](C)(C)Cl D88885 [0,1,0,0,0,0|3,0,0]=4 118 B7R0.8 CCCOC(C)(C)C S11895 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.8 CS(=O)(=O)CCCO 29519 [0,1,0,0,0,0|3,0,0]=4 120 B7R0.8 C[N+](C)(C)CCCBr 35096 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.8 C[Si](C)(C)C#CCBr S12035 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.8 C[Si](C)(C)C#CCO 20439 [0,1,0,0,0,0|1,0,1]=3 123 B7R0.8 C[Si](C)(C)CN=[N+]=[N-] T73022 [0,1,0,0,0,0|3,0,0]=4 124 B7R0.8 C[Si](C)(Cl)CCCCl I11057 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.9 CC(=O)CC(C)(C)C A10213 [0,1,0,0,0,0|1,0,2]=4 126 B7R0.9 CC(C)(Br)CC(=O)O D84403 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.9 CC(C)(C)CC(=O)Cl P18012 [0,1,0,0,0,0|1,0,2]=4 128 B7R0.9 CC(C)(C)CC(=O)O D78179 [0,1,0,0,0,0|1,0,1]=3 129 B7R0.9 CC(C)(N)CC(=O)O 33076 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.9 CC(C)(O)CC(=O)O A10925 [0,1,0,0,0,0|2,0,1]=4 131 B7R0.9 CC(C)NC(C)(C)C D92994 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.9 C[C@H](O)C[N+](C)(C)C D91363 [0,1,0,0,0,0|0,0,0]=1 133 B7R0.9 C[C@H](O)C[N+](C)(C)C F16448 [0,1,0,0,0,0|0,0,0]=1 134 B7R0.9 C[N+](C)(C)CC(=O)[O-] 70061 [0,1,0,0,0,0|0,0,2]=3 135 B7R0.11 C=CC[Si](C)(C)CCl D88416 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.11 CC(C)(CO)CCO W19543 [0,1,0,0,0,0|1,0,0]=2 137 B7R0.14 CC(C)(C)C(=O)CBr F16652 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.14 CC(C)(C)C(=O)CCl 28194 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.14 CC(C)(C)C(=O)CN 56071 [0,1,0,0,0,0|2,0,1]=4 140 B7R0.14 CC(C)(C)[C@@H](N)CO 31123 [0,1,0,0,0,0|1,0,0]=2 141 B7R0.14 CC(C)(C)[C@@H](N)CO F12551 [0,1,0,0,0,0|1,0,0]=2 142 B7R0.14 CCC(=O)C(C)(C)C 71049 [0,1,0,0,0,0|2,0,1]=4 143 B7R1.14 CC1(C)CCNC1 AB7085 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.14 CC1(O)CCCC1 35177 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.14 C[C@]1(O)CCNC1 37166 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.14 C[C@]1(O)CCNC1 72101 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.16 O=S1(=O)CC(O)C1 O11016 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.16 OC1CC(F)(F)C1 38848 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.23 CC1(C)C[C@@H]1C#N 39301 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.23 OC[C@H]1CC1(F)F 33581 [0,0,0,1,0,0|3,0,0]=4 151 B4R0.1 C=C(C)CO H10780 [2,0,0,0,0,0|1,0,1]=4 152 B4R0.1 CC(C)=NO D70154 [2,0,0,0,0,0|2,0,0]=4 153 B4R0.1 CC(C)CN D70621 [2,0,0,0,0,0|2,0,0]=4 154 B4R0.1 CC(C)NO 77595 [2,0,0,0,0,0|2,0,0]=4 155 B4R0.1 CC[C@H](C)O 70716 [2,0,0,0,0,0|2,0,0]=4 156 B4R0.1 CC[C@H](C)O 70832 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.1 CNC(C)C 39417 [2,0,0,0,0,0|2,0,0]=4 158 B4R0.1 CNN(C)C 66800 [2,0,0,0,0,0|1,0,1]=4 159 B4R0.1 C[C@H](Cl)CO H11590 [2,0,0,0,0,0|2,0,0]=4 160 B4R0.1 C[C@H](Cl)CO O10168 [2,0,0,0,0,0|2,0,0]=4 161 B4R0.1 C[C@H](N)CO 28476 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.1 C[C@H](N)CO 29970 [2,0,0,0,0,0|2,0,0]=4 163 B4R0.1 C[C@H](N)CO 29971 [2,0,0,0,0,0|2,0,0]=4 164 B4R0.1 C[C@H](O)CO A11633 [2,0,0,0,0,0|2,0,0]=4 165 B4R0.1 C[C@H](O)CO A11634 [2,0,0,0,0,0|2,0,0]=4 166 B4R0.2 C#CCCO 24606 [2,0,0,0,0,0|1,0,1]=4 167 B4R0.2 C=CCCO P16638 [2,0,0,0,0,0|1,0,1]=4 168 B4R0.2 CC#CCO 75486 [2,0,0,0,0,0|1,0,1]=4 169 B4R0.2 CCCNC A10770 [2,0,0,0,0,0|1,0,1]=4 170 B4R0.2 CNCCBr F13405 [2,0,0,0,0,0|1,0,1]=4 171 B4R0.2 CNCCCl 71064 [2,0,0,0,0,0|1,0,1]=4 172 B4R0.2 CNCCN D76853 [2,0,0,0,0,0|1,0,1]=4 173 B4R0.2 CNCCN SC1801 [2,0,0,0,0,0|1,0,1]=4 174 B4R0.2 COCCBr P19803 [2,0,0,0,0,0|2,0,0]=4 175 B4R0.2 COCCN F14847 [2,0,0,0,0,0|2,0,0]=4 176 B4R0.2 CSCCBr 79497 [2,0,0,0,0,0|2,0,0]=4 177 B4R0.2 CSCCO 28828 [2,0,0,0,0,0|1,0,0]=3 178 B4R0.2 N#CCCO D77638 [2,0,0,0,0,0|2,0,0]=4 179 B4R0.2 NCCCO D77871 [2,0,0,0,0,0|2,0,0]=4 180 B4R0.2 NNCCO D77684 [2,0,0,0,0,0|1,0,1]=4 181 B4R0.2 NOCCO 32348 [2,0,0,0,0,0|2,0,0]=4 182 B4R0.2 OCCCBr 36754 [2,0,0,0,0,0|2,0,0]=4 183 B4R0.2 OCCCF 61100 [2,0,0,0,0,0|2,0,0]=4 184 B4R0.2 OCCCI 75858 [2,0,0,0,0,0|2,0,0]=4 185 B4R0.3 CC(C)(C)I D88747 [2,0,0,0,0,0|2,0,0]=4 186 B4R0.3 CC(C)(C)N D83855 [2,0,0,0,0,0|2,0,0]=4 187 B4R0.3 CC(C)(C)N D89117 [2,0,0,0,0,0|2,0,0]=4 188 B4R0.3 CC(C)(C)N F14004 [2,0,0,0,0,0|2,0,0]=4 189 B4R0.3 CC(C)(C)[O-] D78008 [2,0,0,0,0,0|1,0,1]=4 190 B4R0.3 CC(C)(C)[O-] D78330 [2,0,0,0,0,0|1,0,1]=4 191 B4R0.3 CC(C)(C)[O-] D88327 [2,0,0,0,0,0|1,0,1]=4 192 B4R0.3 C[N+](C)(C)C A10946 [2,0,0,0,0,0|0,0,0]=2 193 B4R0.3 C[N+](C)(C)C AC7796 [2,0,0,0,0,0|0,0,0]=2 194 B4R0.3 C[N+](C)(C)C AT22119 [2,0,0,0,0,0|0,0,0]=2 195 B4R0.3 C[N+](C)(C)C D77756 [2,0,0,0,0,0|0,0,0]=2 196 B4R0.3 C[N+](C)(C)C D78250 [2,0,0,0,0,0|0,0,0]=2 197 B4R0.3 C[N+](C)(C)C D95388 [2,0,0,0,0,0|0,0,0]=2 198 B4R0.3 C[N+](C)(C)C D95778 [2,0,0,0,0,0|0,0,0]=2 199 B4R0.3 C[N+](C)(C)C FD10633 [2,0,0,0,0,0|0,0,0]=2 200 B4R0.3 C[N+](C)(C)C H10703 [2,0,0,0,0,0|0,0,0]=2 201 B4R0.3 C[N+](C)(C)C H10935 [2,0,0,0,0,0|0,0,0]=2 202 B4R0.3 C[N+](C)(C)C O12146 [2,0,0,0,0,0|0,0,0]=2 203 B4R0.3 C[N+](C)(C)[O-] D70574 [2,0,0,0,0,0|0,0,1]=3 204 B4R0.3 C[S+](C)(C)=O A11312 [2,0,0,0,0,0|1,0,1]=4 205 B4R0.3 C[S+](C)(C)=O AC7850 [2,0,0,0,0,0|1,0,1]=4 206 B4R0.3 C[S+](C)(C)=O AC8170 [2,0,0,0,0,0|1,0,1]=4 207 B4R0.3 C[Si](C)(C)Br D88750 [2,0,0,0,0,0|2,0,0]=4 208 B4R0.3 C[Si](C)(C)I F15417 [2,0,0,0,0,0|2,0,0]=4 209 B4R0.3 C[Si](C)(C)[O-] 76749 [2,0,0,0,0,0|1,0,1]=4 210 B4R0.3 C[Si](C)(C)[O-] D86377 [2,0,0,0,0,0|1,0,1]=4 211 B4R0.3 C[Sn](C)(C)C D95827 [2,0,0,0,0,0|1,0,0]=3 212 B6R0.1 CCC[C@H](C)CCl D89415 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.1 CN(C=O)CCO AC2477 [1,1,0,0,0,0|0,0,2]=4 214 B6R0.1 COC(=O)CCO 29940 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.1 CO[C@@H](C)CCO D77758 [1,1,0,0,0,0|1,0,0]=3 216 B6R0.1 C[C@H](CO)CCN 78036 [1,1,0,0,0,0|2,0,0]=4 217 B6R0.1 C[C@H](CO)CCO 63982 [1,1,0,0,0,0|1,0,0]=3 218 B6R0.1 C[C@H](CO)CCO 70021 [1,1,0,0,0,0|1,0,0]=3 219 B6R0.1 OCC[C@H](O)CCl D94503 [1,1,0,0,0,0|2,0,0]=4 220 B6R0.1 OCC[C@H](O)CO 56159 [1,1,0,0,0,0|2,0,0]=4 221 B6R0.1 OCC[C@H](O)CO 56160 [1,1,0,0,0,0|2,0,0]=4 222 B6R0.1 OCC[C@H](O)CO AC2226 [1,1,0,0,0,0|2,0,0]=4 223 B6R0.2 CC(C)CB(O)O 33194 [1,1,0,0,0,0|2,0,0]=4 224 B6R0.2 CC(C)CC(=O)O D78213 [1,1,0,0,0,0|1,0,1]=4 225 B6R0.2 CC(C)C[C@H](C)N 40017 [1,1,0,0,0,0|2,0,0]=4 226 B6R0.2 CC(O)CC(C)O D91996 [1,1,0,0,0,0|2,0,0]=4 227 B6R0.2 CN(C)CC(=O)O 28781 [1,1,0,0,0,0|0,0,2]=4 228 B6R0.2 CN(C)CC(=O)O 73674 [1,1,0,0,0,0|0,0,2]=4 229 B6R0.2 C[C@H](N)CN(C)C 76719 [1,1,0,0,0,0|1,0,1]=4 230 B6R0.2 C[C@H](O)CN(C)C D93027 [1,1,0,0,0,0|0,0,1]=3 231 B6R0.2 C[C@H](O)C[C@H](C)O 73920 [1,1,0,0,0,0|2,0,0]=4 232 B6R0.2 C[C@H](O)C[C@H](C)O D74604 [1,1,0,0,0,0|2,0,0]=4 233 B6R0.2 C[C@H](O)C[C@H](C)O T72451 [1,1,0,0,0,0|2,0,0]=4 234 B6R0.3 CC(C)[C@@H](N)CO 23132 [1,1,0,0,0,0|1,0,0]=3 235 B6R0.3 CC(C)[C@@H](N)CO 39407 [1,1,0,0,0,0|1,0,0]=3 236 B6R0.3 CC(C)[C@@H](N)CO A10466 [1,1,0,0,0,0|1,0,0]=3 237 B6R0.3 CN(C)C(=O)CO C77616 [1,1,0,0,0,0|0,0,2]=4 238 B6R0.3 C[C@H](O)[C@@H](N)CO 66706 [1,1,0,0,0,0|2,0,0]=4 239 B6R0.3 C[C@H](O)[C@@H](N)CO F11954 [1,1,0,0,0,0|2,0,0]=4 240 B6R0.4 CC(=O)CCCO 24602 [1,1,0,0,0,0|2,0,0]=4 241 B6R0.4 CC(=O)NCCO FD10637 [1,1,0,0,0,0|2,0,0]=4 242 B6R0.4 CC(=O)OCCO D88371 [1,1,0,0,0,0|2,0,0]=4 243 B6R0.4 CC(C)=CCCBr F19983 [1,1,0,0,0,0|2,0,0]=4 244 B6R0.4 CC(C)CCCBr O10389 [1,1,0,0,0,0|2,0,0]=4 245 B6R0.4 CC(C)CCCO F20439 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.4 CC(C)NCCCl 20398 [1,1,0,0,0,0|2,0,0]=4 247 B6R0.4 CC(C)NCCO D78491 [1,1,0,0,0,0|1,0,0]=3 248 B6R0.4 CCOCC(C)C D93520 [1,1,0,0,0,0|2,0,0]=4 249 B6R0.4 CN(C)CCCBr 25428 [1,1,0,0,0,0|1,0,1]=4 250 B6R0.4 CN(C)CCCCl 23626 [1,1,0,0,0,0|1,0,1]=4 251 B6R0.4 CN(C)CCCCl AC7814 [1,1,0,0,0,0|1,0,1]=4 252 B6R0.4 CN(C)CCCS D93440 [1,1,0,0,0,0|0,1,1]=4 253 B6R0.4 CNCCN(C)C 20029 [1,1,0,0,0,0|1,0,1]=4 254 B6R0.4 CNCCN(C)C 24589 [1,1,0,0,0,0|1,0,1]=4 255 B6R0.4 COCCN(C)C A11162 [1,1,0,0,0,0|0,0,1]=3 256 B6R0.4 C[C@H](O)CCCO 22874 [1,1,0,0,0,0|2,0,0]=4 257 B6R0.7 CC(C)(C)C(=O)O D78007 [1,1,0,0,0,0|1,0,1]=4 258 B6R0.7 CC(C)C(C)(C)N 78493 [1,1,0,0,0,0|2,0,0]=4 259 B6R0.7 CC(C)[Si](C)(C)Cl I11233 [1,1,0,0,0,0|2,0,0]=4 260 B6R0.7 C[SiH](C)C(C)(C)C I11423 [1,1,0,0,0,0|1,1,0]=4 261 B6R0.7 C[Si](C)(C)C(F)F P16466 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.8 CC(C)(C#N)CO O11012 [1,1,0,0,0,0|1,0,1]=4 263 B6R0.8 CC(C)(C=O)CO 39324 [1,1,0,0,0,0|1,0,1]=4 264 B6R0.8 CC(C)(CBr)CBr S10693 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.8 CC(C)(CN)CN D89885 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.8 CC(C)(CN)CO 35391 [1,1,0,0,0,0|1,0,0]=3 267 B6R0.8 CC(C)(CO)CBr D97756 [1,1,0,0,0,0|1,0,0]=3 268 B6R0.8 CC(C)(CO)CCl D84357 [1,1,0,0,0,0|1,0,0]=3 269 B6R0.8 CC(C)(CO)CO D71071 [1,1,0,0,0,0|1,0,0]=3 270 B6R0.8 CNC(C)(C)CO F19204 [1,1,0,0,0,0|1,0,0]=3 271 B6R0.8 COC(C)(C)CO I10175 [1,1,0,0,0,0|1,0,0]=3 272 B6R0.8 CO[Si](C)(C)CCl I11033 [1,1,0,0,0,0|2,0,0]=4 273 B8R0.21 CC(C)(S)CCOC=O D70907 [0,2,0,0,0,0|2,0,0]=4 274 B8R0.21 CCCCOC(C)(C)C D92818 [0,2,0,0,0,0|2,0,0]=4 275 B8R0.21 C[Si](C)(C)C#CCCO D97430 [0,2,0,0,0,0|1,0,0]=3 276 B8R0.21 C[Si](C)(C)CCOCCl 75285 [0,2,0,0,0,0|1,0,0]=3 277 B8R0.24 CC(C)(C)OC(=O)CO 26378 [0,2,0,0,0,0|1,0,1]=4 278 B8R0.24 COC(=O)CC(C)(C)C D95626 [0,2,0,0,0,0|1,0,1]=4 279 B8R0.24 C[N+](C)(C)C[C@H](O)CCl D72484 [0,2,0,0,0,0|0,0,0]=2 280 B8R0.24 C[N+](C)(C)C[C@H](O)CO F16434 [0,2,0,0,0,0|0,0,0]=2 281 B8R0.25 CC(C)(CO)CCC[NH3+] D86481 [0,2,0,0,0,0|2,0,0]=4 282 B8R0.29 CC(C)(C)CCC(=O)O AB7068 [0,2,0,0,0,0|1,0,0]=3 283 B8R0.29 CC(C)(C)NCC(=O)O FD21623 [0,2,0,0,0,0|1,0,1]=4 284 B8R0.29 CC(C)(C)OCC(=O)O D70768 [0,2,0,0,0,0|1,0,1]=4 285 B8R0.29 C[C@H](O)C#C[Si](C)(C)C D92546 [0,2,0,0,0,0|1,0,1]=4 286 B8R0.29 C[C@H](O)COC(C)(C)C A10548 [0,2,0,0,0,0|1,0,0]=3 287 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 27215 [0,2,0,0,0,0|1,0,1]=4 288 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 63540 [0,2,0,0,0,0|1,0,1]=4 289 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 63542 [0,2,0,0,0,0|1,0,1]=4 290 B8R0.34 CCC(C)(C)CC(=O)O D93429 [0,2,0,0,0,0|1,0,1]=4 291 B8R0.30 C[N+](C)(CCO)CCO D89074 [0,2,0,0,0,0|0,0,0]=2 292 B8R0.31 CCCC(C)(CO)CO D97667 [0,2,0,0,0,0|2,0,0]=4 293 B6R1.2 Br[C@H]1CCOC1 25079 [1,0,0,1,0,0|2,0,0]=4 294 B6R1.2 CN1CCCC1 D78045 [1,0,0,1,0,0|1,0,1]=4 295 B6R1.2 C[C@H]1CCNC1 69325 [1,0,0,1,0,0|2,0,0]=4 296 B6R1.2 C[C@H]1CCNC1 69329 [1,0,0,1,0,0|2,0,0]=4 297 B6R1.2 C[C@H]1CCOC1 F16704 [1,0,0,1,0,0|1,0,0]=3 298 B6R1.2 C[S+]1CCCC1 AC8164 [1,0,0,1,0,0|2,0,0]=4 299 B6R1.2 I[C@H]1CCOC1 82009 [1,0,0,1,0,0|2,0,0]=4 300 B6R1.2 N[C@H]1CCOC1 24756 [1,0,0,1,0,0|2,0,0]=4 301 B6R1.2 N[C@H]1CCOC1 29281 [1,0,0,1,0,0|2,0,0]=4 302 B6R1.2 N[C@H]1CCOC1 37020 [1,0,0,1,0,0|2,0,0]=4 303 B6R1.2 N[C@H]1CCOC1 37021 [1,0,0,1,0,0|2,0,0]=4 304 B6R1.2 N[C@H]1CCOC1 53315 [1,0,0,1,0,0|2,0,0]=4 305 B6R1.2 N[C@H]1CCOC1 SC1299 [1,0,0,1,0,0|2,0,0]=4 306 B6R1.2 O=C1CCOC1 28102 [1,0,0,1,0,0|2,0,0]=4 307 B6R1.2 O[C@H]1CCOC1 37369 [1,0,0,1,0,0|2,0,0]=4 308 B6R1.2 O[C@H]1CCOC1 66692 [1,0,0,1,0,0|2,0,0]=4 309 B6R1.2 O[C@H]1CCOC1 66694 [1,0,0,1,0,0|2,0,0]=4 310 B6R1.3 NCCC1CC1 38310 [1,0,0,1,0,0|2,0,0]=4 311 B6R1.3 NCCC1CC1 AB6939 [1,0,0,1,0,0|2,0,0]=4 312 B6R1.3 OCCC1CC1 35626 [1,0,0,1,0,0|1,0,0]=3 313 B6R1.3 OCCN1CC1 52820 [1,0,0,1,0,0|0,0,1]=3 314 B6R1.5 CN1CC(N)C1 55423 [1,0,0,1,0,0|1,0,1]=4 315 B6R1.5 NC1CC(O)C1 36119 [1,0,0,1,0,0|2,0,0]=4 316 B6R1.5 NC1CC(O)C1 37220 [1,0,0,1,0,0|2,0,0]=4 317 B6R1.5 N[C@H]1C[C@@H](O)C1 39165 [1,0,0,1,0,0|2,0,0]=4 318 B6R1.5 N[C@H]1C[C@H](O)C1 39166 [1,0,0,1,0,0|2,0,0]=4 319 B6R1.7 CC1(CO)CC1 71010 [1,0,0,1,0,0|1,0,0]=3 320 B6R1.7 CCC1(N)CC1 P15302 [1,0,0,1,0,0|2,0,0]=4 321 B6R1.7 CCC1(O)CC1 P20221 [1,0,0,1,0,0|2,0,0]=4 322 B6R1.7 NC1(CO)CC1 80110 [1,0,0,1,0,0|2,0,0]=4 323 B8R1.72 CC1(C)CCCNC1 52404 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.72 CC1(C)CCNCC1 61353 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.72 CC1(C)CCNCC1 AC8379 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.72 CC1(C)CNCCN1 26348 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.72 CC1(C)CNCCO1 P11839 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.72 CC1(C)COCCN1 25040 [0,1,0,1,0,0|1,0,0]=3 329 B8R1.72 CC1(N)CCOCC1 SC1105 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.72 C[N+]1(C)CCCCC1 A51057 [0,1,0,1,0,0|1,0,0]=3 331 B8R1.72 C[N+]1([O-])CCOCC1 31347 [0,1,0,1,0,0|1,0,0]=3 332 B8R1.72 C[N+]1([O-])CCOCC1 D71257 [0,1,0,1,0,0|1,0,0]=3 333 B8R1.77 CC1(C)C[C@@H]1C(=O)O CL4550 [0,1,0,1,0,0|1,0,1]=4 334 B8R1.77 CC1(C)C[C@@H]1C(=O)O P17495 [0,1,0,1,0,0|1,0,1]=4 335 B8R1.19 CC1(C)CCC[C@@H]1O D79629 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.19 CC1(C)CCOC1=O 20702 [0,1,0,1,0,0|1,0,1]=4 337 B8R1.52 CC[N+]1(C)CCCC1 D90580 [0,1,0,1,0,0|1,0,0]=3 338 B8R1.52 CC[N+]1(C)CCCC1 RB3140 [0,1,0,1,0,0|1,0,0]=3