0 B8R0.37 C=C(Cl)C(C)(C)C(=O)O 20685 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.37 CC(C)(C(=O)O)C(=O)O A10735 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.37 CC(C)[C@](C)(N)C(=O)O D94633 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.37 CC(C)[C@](C)(N)C(=O)O F15062 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.37 CC(C)[C@](C)(N)C(N)=O O10642 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.13 C#CC(C)(C)C(=O)O 80217 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.13 CC(C)(CCl)C(=O)O D84180 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.13 CC(C)(CF)C(=O)O FD10572 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.13 CC(C)(CN)C(=O)O 32394 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.13 CC(C)(CO)C(=O)O AC7895 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.13 CCC(C)(C)C(=O)Cl A10688 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.13 CCC(C)(C)C(=O)O 28824 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.13 CCC(F)(F)C(=O)O C90211 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.13 CC[C@](C)(N)C(=O)O 28050 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.13 CC[C@](C)(N)C(=O)O F12358 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.13 CC[C@](C)(O)C(=O)O W11991 [1,0,0,0,0,0|0,0,1]=2 16 B7R0.13 CNC(C)(C)C(=O)O T72178 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.13 COC(C)(C)C(=O)O 28124 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.13 C[C@](O)(CBr)C(=O)O 24569 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.16 CC(=O)C(C)C(C)=O D84195 [1,0,0,0,0,0|1,0,0]=2 20 B7R0.16 CC(=O)C(Cl)C(C)=O D89382 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.16 CC(C(=O)O)C(=O)O AC1639 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.16 CC(C)[C@H](Br)C(=O)O A10761 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.16 CC(C)[C@H](Br)C(=O)O FD1208 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.16 CC(C)[C@H](N)C(=O)O AC7511 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.16 CC(C)[C@H](O)C(=O)O C10550 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.16 CC(C)[C@H](O)C(=O)O F19720 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.16 CC(C)[C@H](O)C(=O)O S12088 [1,0,0,0,0,0|1,0,1]=3 28 B7R0.16 CC(O)C(N)C(=O)O 39304 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 73726 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AC7878 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O D95822 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 20600 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CX1250 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.16 NC(=O)C(N)C(N)=O 23233 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.16 NC(C(=O)O)C(=O)O F20577 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.16 O=C([O-])C(=O)C(=O)O D91793 [1,0,0,0,0,0|1,0,2]=4 37 B9R0.28 COC(=O)C(C)(C)C(C)=O AB1519 [0,1,0,0,0,0|1,0,0]=2 38 B9R0.80 C[C@@](O)(C(=O)O)C(F)(F)F F11534 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.80 C[C@@](O)(C(=O)O)C(F)(F)F N10406 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.80 C[C@@](O)(C(=O)O)C(F)(F)F N10496 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.168 O=C(O)C1(C(=O)O)CC1 11235 [0,0,0,1,0,0|2,0,0]=3 42 B9R0.11 CC(C)(CC(=O)O)C(=O)O O10560 [0,0,0,0,0,1|2,0,0]=3 43 B9R0.11 O=C(O)CC(S)(S)C(=O)O D95762 [0,0,0,0,0,1|2,1,0]=4 44 B6R0.3 C=CN(C)C(C)=O D78236 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.3 CC(=O)[C@H](C)C#N 50820 [2,0,0,0,0,0|1,0,1]=4 46 B6R0.3 CC(=O)\C(C)=N\O F21281 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.3 CC[C@H](Br)C(=O)O P18633 [2,0,0,0,0,0|1,0,1]=4 48 B6R0.3 CC[C@H](Br)C(=O)O P18634 [2,0,0,0,0,0|1,0,1]=4 49 B6R0.3 CC[C@H](C)C(=O)O 88657 [2,0,0,0,0,0|0,0,1]=3 50 B6R0.3 CC[C@H](C)C(=O)O 88663 [2,0,0,0,0,0|0,0,1]=3 51 B6R0.3 CC[C@H](Cl)C(=O)O D89205 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.3 CC[C@H](N)C(=O)O 11781 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.3 CC[C@H](N)C(=O)O 23105 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.3 CC[C@H](N)C(=O)O 25309 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.3 CC[C@H](N)C(=O)O 80046 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.3 CC[C@H](O)C(=O)O 24676 [2,0,0,0,0,0|0,0,1]=3 57 B6R0.3 CC[C@H](O)C(=O)O A11368 [2,0,0,0,0,0|0,0,1]=3 58 B6R0.3 CC[C@H](O)C(=O)O D90822 [2,0,0,0,0,0|0,0,1]=3 59 B6R0.3 CC[C@H](O)C(=O)[O-] S10336 [2,0,0,0,0,0|0,0,2]=4 60 B6R0.3 CC[C@H](O)C(=O)[O-] S10400 [2,0,0,0,0,0|0,0,2]=4 61 B6R0.3 CN[C@@H](C)C(=O)O 28475 [2,0,0,0,0,0|1,0,0]=3 62 B6R0.3 CN[C@@H](C)C(=O)O FD21004 [2,0,0,0,0,0|1,0,0]=3 63 B6R0.3 CN[C@@H](C)C(=O)O FD21006 [2,0,0,0,0,0|1,0,0]=3 64 B6R0.3 CO[C@@H](C)C(=O)O 25435 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.3 CO[C@@H](C)C(=O)O 77786 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.3 CO[C@@H](C)C(=O)O CS1158 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.3 C[C@@H](CBr)C(=O)O A10794 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.3 C[C@@H](CN)C(=O)O 22851 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.3 C[C@@H](CN)C(=O)O 52204 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.3 C[C@@H](CS)C(=O)O D91461 [2,0,0,0,0,0|0,1,1]=4 71 B6R0.3 C\C=C(/C)C(=O)Cl F11166 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.3 C\C=C(/C)C(=O)O D78012 [2,0,0,0,0,0|0,0,1]=3 73 B6R0.3 C\C=C(\C)C(=O)O 11732 [2,0,0,0,0,0|0,0,1]=3 74 B6R0.3 NC[C@H](O)C(=O)O 50049 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.3 NC[C@H](O)C(=O)O C10711 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.3 O=C(O)[C@@H](O)CO A51166 [2,0,0,0,0,0|0,0,2]=4 77 B6R0.7 CC(=O)C(C)(C)Br F20882 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.7 CC(=O)C(C)(C)O D88126 [2,0,0,0,0,0|0,0,1]=3 79 B6R0.7 CC(C)(Br)C(=O)Br H11248 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.7 CC(C)(Br)C(N)=O 29749 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.7 CC(C)(C)C(=O)O D78007 [2,0,0,0,0,0|1,0,0]=3 82 B6R0.7 CC(C)(C)C(=O)[O-] D70697 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.7 CC(C)(C)C(=O)[O-] D97172 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.7 CC(C)(C)C(=O)[O-] F16483 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.7 CC(C)(C)C(=O)[O-] H10729 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.7 CC(C)(C)C(=O)[O-] T70538 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.7 CC(C)(C)C(N)=O AC2528 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.7 CC(C)(F)C(=O)O 83418 [2,0,0,0,0,0|1,0,0]=3 89 B6R0.7 CC(C)(N)C(=O)O AC8052 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.7 CC(C)(N)C(N)=O 32273 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.7 CC(C)(O)C(=N)N W10936 [2,0,0,0,0,0|2,0,0]=4 92 B6R0.7 CC(C)(O)C(=O)O S12287 [2,0,0,0,0,0|0,0,0]=2 93 B6R0.7 CC(C)(O)C(N)=O AC8009 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.7 CC(F)(F)C(=O)O FD2064 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.8 CC(C)(C=O)CO 39324 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.2 CC(=O)NC(C)=O D97387 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.2 CC(=O)NC(N)=O D88216 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.2 CC(=O)SC(C)=O T70772 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.2 CC(=O)[CH-]C(C)=O D78375 [2,0,0,0,0,0|1,0,1]=4 100 B6R0.2 CC(=O)[CH-]C(C)=O D82020 [2,0,0,0,0,0|1,0,1]=4 101 B6R0.2 CC(=O)[CH-]C(C)=O D82093 [2,0,0,0,0,0|1,0,1]=4 102 B6R0.2 CC(=O)[CH-]C(C)=O D82100 [2,0,0,0,0,0|1,0,1]=4 103 B6R0.2 CC(=O)[CH-]C(C)=O D88949 [2,0,0,0,0,0|1,0,1]=4 104 B6R0.2 CC(C)=CC(=O)O D78089 [2,0,0,0,0,0|1,0,1]=4 105 B6R0.2 CC(C)CC(=O)O D78213 [2,0,0,0,0,0|1,0,1]=4 106 B6R0.2 CN(C)CC(=O)O 28781 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.2 CN(C)CC(=O)O 73674 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.2 C[C@H](Cl)CC(=O)O D89206 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.2 C[C@H](N)CC(=O)O 62356 [2,0,0,0,0,0|1,0,1]=4 110 B6R0.2 C[C@H](N)CC(=O)O 62357 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.2 C[C@H](N)CC(=O)O 62358 [2,0,0,0,0,0|1,0,1]=4 112 B6R0.2 C[C@H](N)CC(=O)O 62359 [2,0,0,0,0,0|1,0,1]=4 113 B6R0.2 C[C@H](N)CC(=O)O 62363 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.2 C[C@H](O)CC(=O)O D84191 [2,0,0,0,0,0|0,0,2]=4 115 B6R0.2 C[C@H](O)CC(=O)O O10175 [2,0,0,0,0,0|0,0,2]=4 116 B6R0.2 NC(=O)CC(N)=O D77721 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.2 O=C(O)CC(=O)O AC8295 [2,0,0,0,0,0|1,0,0]=3 118 B8R0.12 C=CCC(C)(C)C(=O)O 86676 [1,1,0,0,0,0|1,0,1]=4 119 B8R0.12 CCOC(C)(C)C(=O)O 28332 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.13 CC[C@](C)(N)C(=O)OC H10174 [1,1,0,0,0,0|1,0,1]=4 121 B8R0.13 COC(=O)C(C)(C)CO AB7536 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.36 CC(CO)(CO)C(=O)O D71069 [1,1,0,0,0,0|0,0,2]=4 123 B8R0.36 COC(C)(OC)C(C)=O 35374 [1,1,0,0,0,0|2,0,0]=4 124 B8R0.2 COC(=O)[C@@H](C)C(C)=O AB7549 [1,1,0,0,0,0|0,0,0]=2 125 B8R0.2 COC(=O)[C@@H](Cl)C(C)=O 29073 [1,1,0,0,0,0|1,0,0]=3 126 B8R0.18 CCC(C(=O)O)C(=O)O AC1600 [1,1,0,0,0,0|1,0,0]=3 127 B8R0.18 CN[C@H](C(=O)O)C(C)C 78310 [1,1,0,0,0,0|1,0,1]=4 128 B8R0.18 CN[C@H](C(=O)O)C(C)C C10356 [1,1,0,0,0,0|1,0,1]=4 129 B8R0.18 CN[C@H](C(=O)O)C(C)C C73626 [1,1,0,0,0,0|1,0,1]=4 130 B8R0.18 CON(C(C)=O)C(C)=O D91454 [1,1,0,0,0,0|2,0,0]=4 131 B10R0.119 CC[C@@](C)(CC(=O)O)C(=O)O D97584 [0,1,0,0,0,1|2,0,0]=4 132 B10R0.141 COC(=O)C(C)(C)CC(=O)O A10529 [0,1,0,0,0,1|1,0,0]=3 133 B10R0.36 CCOC(=O)C(C)(C)C(=O)Cl 35296 [0,2,0,0,0,0|2,0,0]=4 134 B10R0.36 CCOC(=O)C(C)(C)C(=O)O 25973 [0,2,0,0,0,0|1,0,0]=3 135 B10R0.36 CCOC(=O)C(Cl)(Cl)C(C)=O D78296 [0,2,0,0,0,0|2,0,0]=4 136 B10R0.142 CCC(=O)C(C)(C)C(=O)OC 21186 [0,2,0,0,0,0|1,0,0]=3 137 B10R0.142 COC(=O)C(C)(C)C(=O)OC 60602 [0,2,0,0,0,0|1,0,0]=3 138 B10R0.142 COC(=O)C(F)(F)C(=O)OC D82219 [0,2,0,0,0,0|2,0,0]=4 139 B8R1.19 CC1(C)CCOC1=O 20702 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.78 CC1(C(=O)O)CCC1 26919 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.78 NC1(C(=O)O)CCC1 55032 [1,0,0,1,0,0|1,0,1]=4 142 B8R1.78 NC1(C(=O)O)CCC1 67754 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.78 O=C(O)C1(Br)CCC1 CL4587 [1,0,0,1,0,0|1,0,1]=4 144 B8R1.50 CC1=C(O)C(=O)CO1 D95714 [1,0,0,1,0,0|1,0,1]=4 145 B8R1.50 CC1=C(O)COC1=O 71338 [1,0,0,1,0,0|0,0,2]=4 146 B8R1.50 CC1C(=O)CCC1=O P10004 [1,0,0,1,0,0|1,0,0]=3 147 B8R1.50 CN1C(=O)CNC1=O 72332 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.50 CN1C(=O)CSC1=O 30627 [1,0,0,1,0,0|1,1,0]=4 149 B8R1.50 O=C1CCC(=O)C1Br W12581 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.50 O=C1CCC(=O)N1O 29210 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.50 O=C1COC(=O)[C@H]1Cl D89461 [1,0,0,1,0,0|1,0,0]=3 152 B8R1.50 O=C1OC[C@H](O)[C@@H]1O S11960 [1,0,0,1,0,0|0,0,2]=4 153 B8R1.77 CC1(C)C[C@@H]1C(=O)O CL4550 [1,0,0,1,0,0|1,0,1]=4 154 B8R1.77 CC1(C)C[C@@H]1C(=O)O P17495 [1,0,0,1,0,0|1,0,1]=4 155 B10R1.291 CC(=O)[C@]1(C)CCOC1=O S12383 [0,1,0,1,0,0|1,0,0]=3 156 B10R1.425 COC(=O)C1(C(=O)O)CC1 F11580 [0,1,0,1,0,0|1,0,0]=3 157 B10R1.425 COC(=O)C1(C(C)=O)CC1 39099 [0,1,0,1,0,0|1,0,0]=3 158 B10R1.364 NC(=O)C1(C(=O)O)CCC1 59300 [0,1,0,1,0,0|2,0,0]=4 159 B10R1.364 O=C(O)C1(C(=O)O)CCC1 59520 [0,1,0,1,0,0|2,0,0]=4 160 B8R0.34 CCC(C)(C)CC(=O)O D93429 [1,0,0,0,0,1|1,0,1]=4 161 B8R0.34 CC[C@](C)(O)CC(=O)O D90920 [1,0,0,0,0,1|0,0,1]=3 162 B8R0.23 C=C(NC(C)=O)C(=O)O F20437 [1,0,0,0,0,1|0,0,2]=4 163 B8R0.23 CC(=O)C[C@H](C)C(=O)O P10084 [1,0,0,0,0,1|0,0,0]=2 164 B8R0.23 CC(=O)N(C)CC(=O)O AB22763 [1,0,0,0,0,1|1,0,0]=3 165 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21035 [1,0,0,0,0,1|0,0,0]=2 166 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21049 [1,0,0,0,0,1|0,0,0]=2 167 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21057 [1,0,0,0,0,1|0,0,0]=2 168 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl 67749 [1,0,0,0,0,1|1,0,0]=3 169 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl T70869 [1,0,0,0,0,1|1,0,0]=3 170 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 50550 [1,0,0,0,0,1|0,0,0]=2 171 B8R0.23 CC(=O)O[C@@H](C)C(=O)O D88540 [1,0,0,0,0,1|0,0,0]=2 172 B8R0.23 CC(=O)[C@@H](C)CC(=O)O T72797 [1,0,0,0,0,1|0,0,0]=2 173 B8R0.23 CC(C)C[C@H](O)C(=O)O D87748 [1,0,0,0,0,1|1,0,1]=4 174 B8R0.23 CC(C)C[C@H](O)C(=O)O F14883 [1,0,0,0,0,1|1,0,1]=4 175 B8R0.23 CC(C)C[C@H](O)C(=O)O S10037 [1,0,0,0,0,1|1,0,1]=4 176 B8R0.23 CS(=O)C[C@H](N)C(=O)O D87103 [1,0,0,0,0,1|2,0,0]=4 177 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 65400 [1,0,0,0,0,1|1,0,0]=3 178 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 65402 [1,0,0,0,0,1|1,0,0]=3 179 B8R0.23 C[C@@H](CC(=O)O)C(=O)O H11814 [1,0,0,0,0,1|1,0,0]=3 180 B8R0.23 C\C(=C\C(=O)O)C(=O)O D95321 [1,0,0,0,0,1|1,0,1]=4 181 B8R0.23 NC(=O)C[C@H](N)C(=O)O 20146 [1,0,0,0,0,1|2,0,0]=4 182 B8R0.23 NC(=O)C[C@H](N)C(=O)O 68743 [1,0,0,0,0,1|2,0,0]=4 183 B8R0.23 NC(=O)C[C@H](N)C(=O)O D70834 [1,0,0,0,0,1|2,0,0]=4 184 B8R0.23 NC(=O)C[C@H](N)C(=O)O F10838 [1,0,0,0,0,1|2,0,0]=4 185 B8R0.23 NC(=O)C[C@H](N)C(=O)O FD20027 [1,0,0,0,0,1|2,0,0]=4 186 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 26084 [1,0,0,0,0,1|2,0,0]=4 187 B8R0.23 N[C@@H](CC(=O)O)C(=O)O D70832 [1,0,0,0,0,1|2,0,0]=4 188 B8R0.23 N[C@@H](CC(=O)O)C(=O)O D77793 [1,0,0,0,0,1|2,0,0]=4 189 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] D97789 [1,0,0,0,0,1|2,0,0]=4 190 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 67225 [1,0,0,0,0,1|2,0,0]=4 191 B8R0.23 O=C(O)C[C@H](O)C(=O)O 29313 [1,0,0,0,0,1|1,0,0]=3 192 B8R0.23 O=C(O)C[C@H](O)C(=O)O 68744 [1,0,0,0,0,1|1,0,0]=3 193 B8R0.23 O=C(O)C[C@H](S)C(=O)O D70319 [1,0,0,0,0,1|1,1,0]=4 194 B10R0.43 CC(C)(CCC(=O)O)C(=O)O D79772 [0,0,0,0,0,2|2,0,0]=4 195 B10R0.165 CC(C)(CC(=O)O)CC(=O)O O10904 [0,0,0,0,0,2|2,0,0]=4