0 B7R0.9 C=C(C)CC(C)(C)C 099019 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 C=C(C)C[Si](C)(C)C S11005 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.9 C=C(C)O[Si](C)(C)C S10250 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.9 CC(=O)CS(C)(=O)=O 003502 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.9 CC(=O)NC(C)(C)C 342025 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.9 CC(=O)OC(C)(C)C 094033 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.9 CC(=O)O[Si](C)(C)C S00009 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.9 CC(C)(C)CC(=O)Cl 049750 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.9 CC(C)(C)CC(=O)O 078718 [0,0,0,0,0,0|1,0,1]=2 9 B7R0.9 CC(C)(C)CC(Cl)Cl 103313 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.9 CC(C)(C)CC(N)=O 102508 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.9 CC(C)(C)NC(N)=O 342232 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.9 CC(C)(C)NC(N)=S 018344 [0,0,0,0,0,0|3,1,0]=4 13 B7R0.9 CC(C)(C)OC(N)=O 043378 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.9 CC(C)(N)CC(=O)O 023437 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.9 CC(C)CC(C)(C)C 005420 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.9 CC(C)CC(C)(C)C 101606 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.9 CS(=O)(=O)CC(=O)O 003739 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.2 CC(=O)C=C(C)C 098815 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.2 CC(=O)CC(C)=O 100600 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.2 CC(=O)CC(C)C 044985 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.2 CC(=O)CC(C)C 102383 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.2 CC(=O)CC(N)=O 444419 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.2 CC(=O)NC(C)C 208609 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.2 CC(=O)OC(C)C 099370 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.2 CC(C)=CC(=O)Cl 438394 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.2 CC(C)=CC(=O)O 208603 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.2 CC(C)CC(=O)Cl 520885 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.2 CC(C)CC(=O)O 242835 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.2 CC(C)CC(N)=O 342138 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.2 CC(C)CS(=O)[O-] 070723 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.2 CC(C)NC(N)=O 101565 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.2 CC(N)CC(=O)O 208617 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.2 CN(C)CC(=O)O 044353 [1,0,0,0,0,0|0,0,2]=3 34 B6R0.2 CN(C)CC(=O)O 216339 [1,0,0,0,0,0|0,0,2]=3 35 B6R0.2 C[C@@H](N)CC(=O)O 034436 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.2 C[C@@H](N)CC(=O)O 078594 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.5 C=CC[Si](C)(C)C 005255 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.5 C=CC[Si](C)(C)Cl S00225 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.5 CC(C)(C)CC=O 049850 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.5 CC(C)(C)CCBr 240396 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.5 CC(C)(C)CCI 104243 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.5 CC(C)(C)CCO 092664 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.5 CC(C)(C)N=C=O 541836 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.5 CC(C)(C)NC=O 103226 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.5 CC(C)(C)OC=O 094630 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.5 CC(C)(C)ON=O 050767 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.5 C[N+](C)(C)CCO 358031 [1,0,0,0,0,0|0,0,2]=3 48 B6R0.5 C[Si](C)(C)CCO S19375 [1,0,0,0,0,0|1,0,2]=4 49 B6R0.5 C[Si](C)(C)CCS S10370 [1,0,0,0,0,0|1,1,1]=4 50 B6R0.5 C\C=N\C(C)(C)C 241850 [1,0,0,0,0,0|3,0,0]=4 51 B8R0.24 C=CC(=O)OC(C)(C)C 097726 [0,1,0,0,0,0|3,0,0]=4 52 B8R0.24 CC(C)(C)NC(=O)CCl 044503 [0,1,0,0,0,0|3,0,0]=4 53 B8R0.24 CC(C)(C)OC(=O)CBr 043685 [0,1,0,0,0,0|3,0,0]=4 54 B8R0.24 CC(C)(C)OC(=O)CCl 092618 [0,1,0,0,0,0|3,0,0]=4 55 B8R0.24 CC(C)(C)OC(=O)CI 324991 [0,1,0,0,0,0|3,0,0]=4 56 B8R0.24 CC(C)(C)OC(=O)CN 222997 [0,1,0,0,0,0|3,0,0]=4 57 B8R0.24 CC(C)(C)OC(=O)CN M03023 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.24 CC(C)(C)OC(=O)CO 222563 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.24 CC(C)(C)OC(=O)NN 044812 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.24 CC(C)(C)OC(=O)NO 044878 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.24 CCC(=O)NC(C)(C)C 094519 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.24 CCC(=O)OC(C)(C)C 239674 [0,1,0,0,0,0|3,0,0]=4 63 B8R0.24 CNC(=O)OC(C)(C)C 044201 [0,1,0,0,0,0|3,0,0]=4 64 B8R0.24 COC(=O)CC(C)(C)C 101635 [0,1,0,0,0,0|1,0,1]=3 65 B8R0.24 C[N+](C)(C)CC(O)CCl 242955 [0,1,0,0,0,0|1,0,2]=4 66 B8R0.27 CC(=O)N(C)[Si](C)(C)C S11925 [0,1,0,0,0,0|3,0,0]=4 67 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O 040071 [0,1,0,0,0,0|1,0,1]=3 68 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 044734 [0,1,0,0,0,0|1,0,1]=3 69 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O M06142 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.34 CCC(C)(O)CC(=O)O 103052 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.51 CC1(C)CNC(=O)C1 043825 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.77 CC1(C)CC1C(=O)O 066488 [0,0,0,1,0,0|1,0,1]=3 73 B6R0.7 CC(=O)C(C)(C)C 003453 [0,0,0,0,1,0|2,0,0]=3 74 B6R0.7 CC(=O)C(C)(C)O 092081 [0,0,0,0,1,0|3,0,0]=4 75 B6R0.7 CC(C)(Br)C(=O)Br 098961 [0,0,0,0,1,0|3,0,0]=4 76 B6R0.7 CC(C)(Br)C(=O)O 075177 [0,0,0,0,1,0|2,0,1]=4 77 B6R0.7 CC(C)(Br)C(N)=O 323860 [0,0,0,0,1,0|3,0,0]=4 78 B6R0.7 CC(C)(C)C(=N)N 069303 [0,0,0,0,1,0|3,0,0]=4 79 B6R0.7 CC(C)(C)C(=O)Cl 080298 [0,0,0,0,1,0|2,0,0]=3 80 B6R0.7 CC(C)(C)C(=O)O 218406 [0,0,0,0,1,0|1,0,1]=3 81 B6R0.7 CC(C)(C)C(=O)[O-] 053854 [0,0,0,0,1,0|1,0,0]=2 82 B6R0.7 CC(C)(C)C(N)=O 093938 [0,0,0,0,1,0|2,0,0]=3 83 B6R0.7 CC(C)(C)C(N)=S 044516 [0,0,0,0,1,0|2,1,0]=4 84 B6R0.7 CC(C)(C)S(N)=O 034514 [0,0,0,0,1,0|3,0,0]=4 85 B6R0.7 CC(C)(C)[N+](=O)[O-] 342016 [0,0,0,0,1,0|2,0,0]=3 86 B6R0.7 CC(C)(C)[S@@](N)=O 034299 [0,0,0,0,1,0|3,0,0]=4 87 B6R0.7 CC(C)(C)[S@@](N)=O 102733 [0,0,0,0,1,0|3,0,0]=4 88 B6R0.7 CC(C)(C)[S@](N)=O 040040 [0,0,0,0,1,0|3,0,0]=4 89 B6R0.7 CC(C)(Cl)[N+](=O)[O-] 099762 [0,0,0,0,1,0|3,0,0]=4 90 B6R0.7 CC(C)(F)C(=O)O 013150 [0,0,0,0,1,0|2,0,1]=4 91 B6R0.7 CC(C)(F)C(N)=O 062794 [0,0,0,0,1,0|3,0,0]=4 92 B6R0.7 CC(C)(N)C(=O)O 078899 [0,0,0,0,1,0|2,0,1]=4 93 B6R0.7 CC(C)(O)C(=O)O 214584 [0,0,0,0,1,0|2,0,1]=4 94 B8R0.29 CC(=O)C#C[Si](C)(C)C S19120 [0,0,0,0,0,1|2,0,1]=4 95 B8R0.29 CC(C)(C)CCC(=O)O 046101 [0,0,0,0,0,1|1,0,1]=3 96 B8R0.29 CC(C)(C)COC(=O)Cl 103231 [0,0,0,0,0,1|2,0,0]=3 97 B8R0.29 CC(C)(C)OCC(=O)O 023523 [0,0,0,0,0,1|1,0,1]=3 98 B5R0.1 C=CCC(C)C 106337 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.1 CC(C)=CC=O 386384 [2,0,0,0,0,0|1,0,1]=4 100 B5R0.1 CC(C)CC=O 094970 [2,0,0,0,0,0|1,0,0]=3 101 B5R0.1 CC(C)NC=O 103706 [2,0,0,0,0,0|2,0,0]=4 102 B5R0.1 CCCC(=O)Cl 098879 [2,0,0,0,0,0|2,0,0]=4 103 B5R0.1 CCCC(=O)O 102473 [2,0,0,0,0,0|1,0,1]=4 104 B5R0.1 CCCC(N)=O 356018 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.1 CCC[N+](=O)[O-] 520877 [2,0,0,0,0,0|2,0,0]=4 106 B5R0.1 CNCC(=O)O 095119 [2,0,0,0,0,0|0,0,2]=4 107 B5R0.1 COCC(=O)Cl 053542 [2,0,0,0,0,0|2,0,0]=4 108 B5R0.1 COCC(=O)O 237785 [2,0,0,0,0,0|1,0,1]=4 109 B5R0.1 COCC(C)=O 002450 [2,0,0,0,0,0|2,0,0]=4 110 B5R0.1 CSCC(=O)O 010416 [2,0,0,0,0,0|1,0,1]=4 111 B5R0.1 CSCC(N)=O 092321 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.4 C=CC(C)(C)C 098818 [2,0,0,0,0,0|1,0,1]=4 113 B5R0.4 C=C[Si](C)(C)C S22050 [2,0,0,0,0,0|1,0,1]=4 114 B5R0.4 CC(C)(C)C=O 095838 [2,0,0,0,0,0|1,0,0]=3 115 B5R0.4 CC(C)(C)CI 099189 [2,0,0,0,0,0|2,0,0]=4 116 B5R0.4 CC(C)(C)CN 160000 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.4 CC(C)(C)CO 094979 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.4 C[Si](C)(C)CBr S02925 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.4 C[Si](C)(C)CCl S04425 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.4 C[Si](C)(C)CI S10025 [2,0,0,0,0,0|2,0,0]=4 121 B7R0.2 CCC(C)CC(=O)O 002768 [1,1,0,0,0,0|1,0,1]=4 122 B7R0.2 COC(=O)CC(=O)[O-] 092550 [1,1,0,0,0,0|2,0,0]=4 123 B7R0.2 COC(=O)CC(C)C 046834 [1,1,0,0,0,0|1,0,1]=4 124 B7R0.2 COC(=O)CN(C)C 099922 [1,1,0,0,0,0|0,0,2]=4 125 B7R0.16 CC(C)C(Br)C(=O)O 003401 [1,1,0,0,0,0|1,0,1]=4 126 B7R0.16 CC(C)C(N)C(=O)O 097622 [1,1,0,0,0,0|1,0,1]=4 127 B7R0.16 CC(C)C(O)C(=O)O 336693 [1,1,0,0,0,0|1,0,1]=4 128 B7R0.16 CC(C)[C@@H](N)C(=O)O 011910 [1,1,0,0,0,0|1,0,1]=4 129 B7R0.16 CC(C)[C@H](Br)C(=O)O 094133 [1,1,0,0,0,0|1,0,1]=4 130 B7R0.16 CC(C)[C@H](N)C(=O)O M02950 [1,1,0,0,0,0|1,0,1]=4 131 B7R0.16 CC(C)[C@H](N)C(N)=O M03135 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.8 C=CCNC(C)(C)C 102065 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.8 C=CCO[Si](C)(C)C 005280 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.8 C[N+](C)(C)CCCBr 242798 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.8 C[Si](C)(C)C#CC=O S20180 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.13 CC(C)(CBr)C(=O)F 102113 [0,1,0,0,1,0|2,0,0]=4 137 B7R0.13 CC(C)(CBr)C(=O)O 094021 [0,1,0,0,1,0|1,0,1]=4 138 B7R0.13 CC(C)(CBr)C(N)=O 102689 [0,1,0,0,1,0|2,0,0]=4 139 B7R0.13 CC(C)(CCl)C(=O)Cl 099578 [0,1,0,0,1,0|2,0,0]=4 140 B7R0.13 CC(C)(CCl)C(=O)O 105948 [0,1,0,0,1,0|1,0,1]=4 141 B7R0.13 CC(C)(CO)C(=O)O 147000 [0,1,0,0,1,0|1,0,1]=4 142 B7R0.13 CCC(C)(C)C(=O)O 035602 [0,1,0,0,1,0|1,0,1]=4 143 B7R0.13 CCC(C)(C)C(C)=O 005871 [0,1,0,0,1,0|2,0,0]=4 144 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C 078750 [0,2,0,0,0,0|1,0,1]=4 145 B9R0.44 CCOC(=O)CC(C)(C)C 466687 [0,2,0,0,0,0|1,0,1]=4 146 B7R1.20 O=C(O)CC1CC1 003710 [1,0,0,1,0,0|1,0,1]=4 147 B9R1.10 CC1(C)CCC(=O)CC1 077611 [0,0,0,1,0,1|2,0,0]=4 148 B9R1.10 CC1(C)COC(=O)OC1 341785 [0,0,0,1,0,1|1,0,1]=4 149 B9R1.66 CC1(C)CC(=O)CCO1 043695 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.138 CC1(C)COC(=O)[C@@H]1O 337172 [0,1,0,1,0,0|1,0,1]=4 151 B5R0.5 C=C(C)C(=O)[O-] 461655 [1,0,0,0,1,0|1,0,1]=4 152 B5R0.5 CC(=O)C(=O)[O-] 169520 [1,0,0,0,1,0|2,0,0]=4 153 B5R0.5 CC(=O)C(C)C 098965 [1,0,0,0,1,0|2,0,0]=4 154 B5R0.5 CC(=O)N(C)C 044923 [1,0,0,0,1,0|1,0,1]=4 155 B5R0.5 CC(=O)N(C)C 103880 [1,0,0,0,1,0|1,0,1]=4 156 B5R0.5 CC(=O)N(C)C 105121 [1,0,0,0,1,0|1,0,1]=4 157 B5R0.5 CC(C)C(=O)Cl 005019 [1,0,0,0,1,0|2,0,0]=4 158 B5R0.5 CC(C)C(=O)O 099395 [1,0,0,0,1,0|1,0,1]=4 159 B5R0.5 CC(C)C(N)=O 091536 [1,0,0,0,1,0|2,0,0]=4 160 B5R0.5 CC(C)S(=O)[O-] 035599 [1,0,0,0,1,0|2,0,0]=4 161 B5R0.5 CC(C)[N+](=O)[O-] 098355 [1,0,0,0,1,0|2,0,0]=4 162 B5R0.5 CC(O)C(=O)[O-] 492494 [1,0,0,0,1,0|2,0,0]=4 163 B5R0.5 CN(C)C(=O)Cl 051099 [1,0,0,0,1,0|1,0,1]=4 164 B5R0.5 CN(C)C(N)=O 342088 [1,0,0,0,1,0|1,0,1]=4 165 B5R0.5 C[C@@H](O)C(=O)[O-] 103154 [1,0,0,0,1,0|2,0,0]=4 166 B5R0.5 C[C@H](O)C(=O)[O-] 448793 [1,0,0,0,1,0|2,0,0]=4 167 B7R0.6 CC(=O)CCC(C)C 106440 [1,0,0,0,0,1|2,0,0]=4 168 B7R0.6 CC(=O)CCN(C)C 043224 [1,0,0,0,0,1|1,0,1]=4 169 B7R0.6 CC(=O)NCC(C)C 103683 [1,0,0,0,0,1|2,0,0]=4 170 B7R0.6 CC(=O)OCC(C)C 095004 [1,0,0,0,0,1|2,0,0]=4 171 B7R0.6 CC(C)COC(=O)Cl 046752 [1,0,0,0,0,1|2,0,0]=4 172 B7R0.6 CC(C)SCC(=O)O 311009 [1,0,0,0,0,1|1,0,1]=4 173 B7R0.6 CN(C)CCC(=O)O 046799 [1,0,0,0,0,1|0,0,2]=4 174 B9R0.56 C[N+](C)(C)CCCC(=O)O 241255 [0,0,0,0,0,2|0,0,1]=3