0 B7R0.6 CC(=O)CCC(O)=O T5551 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.6 CC(=O)NCC(O)=O T4822 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.6 CC(C)CCC(O)=O T19138 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 NC(=N)NCC(O)=O T4238 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 NC(=O)/C=C\C(O)=O T4905 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.6 NC(=O)C#CC(N)=O T23872 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.6 OC(=O)/C=C/C(O)=O T2769 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.6 OC(=O)/C=C/C(O)=O T3763 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.6 OC(=O)/C=C\C(O)=O T4913 [0,0,0,0,0,0|0,0,2]=2 9 B7R0.6 OC(=O)CCC(O)=O T2719 [0,0,0,0,0,0|0,0,0]=0 10 B7R0.6 OC(=O)CC[N+]([O-])=O T3009 [0,0,0,0,0,0|1,0,1]=2 11 B7R0.6 [O-]C(=O)/C=C/C([O-])=O T0001 [0,0,0,0,0,0|0,0,4]=4 12 B7R0.6 [O-]C(=O)CCC([O-])=O T8073 [0,0,0,0,0,0|0,0,2]=2 13 B6R0.4 CC(C)CCC=O T20931 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CCOCC(O)=O T37501 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.4 COCCC(O)=O T20899 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 CSCCC(O)=O T5285 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.4 NCCCC(O)=O T0508 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.4 OC(=O)CCC#C T0580 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.4 OC(=O)CCC=C T8032 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.4 OC(=O)CNC=O T4741 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.4 OC/C=C/C(O)=O T23473 [1,0,0,0,0,0|0,0,3]=4 22 B6R0.4 [O-]C(=O)CCC#C T13893 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.9 CN(CCC(C)=O)N=O T33708 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.9 COC(=O)/C=C/C(O)=O T12095 [0,1,0,0,0,0|0,0,2]=3 25 B8R0.9 COC(=O)CCC(C)=O TN4548 [0,1,0,0,0,0|1,0,0]=2 26 B8R0.9 NC(CCC(O)=O)C=C T0128 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.9 NC(CCC(O)=O)C=C T0128L [0,1,0,0,0,0|2,0,1]=4 28 B8R0.9 NCC(=O)CCC(O)=O T14047 [0,1,0,0,0,0|1,0,0]=2 29 B8R0.9 NCC(=O)CCC(O)=O T1662 [0,1,0,0,0,0|1,0,0]=2 30 B8R0.9 NCC(=O)NCC(O)=O T5286 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.23 C/C(=C/C(O)=O)C(O)=O T4525 [0,1,0,0,0,0|0,0,2]=3 32 B8R0.23 CC(=CC(=O)O)C(=O)O T20880 [0,1,0,0,0,0|0,0,2]=3 33 B8R0.23 CC(C)C(N)CC(O)=O T5569 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.23 CC(C)CC(N)C(O)=O T4772 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.23 CC(C)C[C@@H](O)C(O)=O T19539 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.23 CC(C)C[C@H](C(O)=O)N T9299 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.23 CC(C)C[C@H](N)C(O)=O T3O2749 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.23 CC(C)C[C@H](N)[13C](O)=O T32811 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.23 CC(C)C[C@H](O)C(O)=O T5294 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.23 CC(CC(O)=O)C(O)=O T5231 [0,1,0,0,0,0|0,0,0]=1 41 B8R0.23 CN(C)CC(N)C(O)=O T25128 [0,1,0,0,0,0|3,0,0]=4 42 B8R0.23 CN(CC(O)=O)C(N)=N T22300 [0,1,0,0,0,0|3,0,0]=4 43 B8R0.23 CN(CC(O)=O)C(N)=N T4883 [0,1,0,0,0,0|3,0,0]=4 44 B8R0.23 CS(=O)C[C@@H](N)C(O)=O T19759 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.23 C[C@H](NC(C)=O)C(O)=O T4839 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.23 NC(CC(N)=O)C(O)=O TN3877 [0,1,0,0,0,0|1,0,0]=2 47 B8R0.23 NC(CC([O-])=O)C([O-])=O T8267 [0,1,0,0,0,0|0,0,2]=3 48 B8R0.23 N[C@@H](CC(Cl)Cl)C(O)=O T30135 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.23 N[C@@H](CC(N)=O)C(O)=O T2O2774 [0,1,0,0,0,0|1,0,0]=2 50 B8R0.23 N[C@@H](CC(N)=O)C(O)=O T8392 [0,1,0,0,0,0|1,0,0]=2 51 B8R0.23 N[C@@H](CC(O)=O)C(O)=O T19399 [0,1,0,0,0,0|0,0,0]=1 52 B8R0.23 N[C@@H](CC(O)=O)C(O)=O T2O2731 [0,1,0,0,0,0|0,0,0]=1 53 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O T19554 [0,1,0,0,0,0|0,0,1]=2 54 B8R0.23 N[C@@H](CS(O)=O)C(O)=O T11803 [0,1,0,0,0,0|1,0,0]=2 55 B8R0.23 N[C@@H](CS(O)=O)C(O)=O T41301 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.23 N[C@H](CC(N)=O)C(O)=O TN3748 [0,1,0,0,0,0|1,0,0]=2 57 B8R0.23 N[C@H](CC(O)=O)C(O)=O T4885 [0,1,0,0,0,0|0,0,0]=1 58 B8R0.23 OC(=O)CC(=C)C(O)=O T4837 [0,1,0,0,0,0|0,0,1]=2 59 B8R0.23 OC(=O)CC(=O)C(O)=O T4862 [0,1,0,0,0,0|0,0,1]=2 60 B8R0.23 OC(CC(O)=O)C(O)=O T20113 [0,1,0,0,0,0|0,0,0]=1 61 B8R0.23 OC(CC(O)=O)C(O)=O T2S0850 [0,1,0,0,0,0|0,0,0]=1 62 B8R0.23 O[C@@H](CC(O)=O)C(O)=O T4838 [0,1,0,0,0,0|0,0,0]=1 63 B8R0.29 CC(C)(O)CCC([O-])=O T29058 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.2 CC(=O)CC([O-])=O T13528 [0,0,0,0,1,0|1,0,1]=3 65 B6R0.2 CC(=O)CC([O-])=O T4854 [0,0,0,0,1,0|1,0,1]=3 66 B6R0.2 CC(C)=CC(O)=O T5305 [0,0,0,0,1,0|2,0,1]=4 67 B6R0.2 CC(C)CC(O)=O T5609 [0,0,0,0,1,0|2,0,1]=4 68 B6R0.2 CC(CC(O)=O)N TN6756 [0,0,0,0,1,0|2,0,1]=4 69 B6R0.2 CC(O)CC(O)=O T4947 [0,0,0,0,1,0|1,0,1]=3 70 B6R0.2 CN(C)CC(O)=O T4120 [0,0,0,0,1,0|3,0,0]=4 71 B6R0.2 C[C@@H](O)CC(O)=O T5248 [0,0,0,0,1,0|1,0,1]=3 72 B6R0.2 C[C@H](O)CC(O)=O T13979 [0,0,0,0,1,0|1,0,1]=3 73 B6R0.2 OC(=O)CC(O)=O T5291 [0,0,0,0,1,0|0,0,0]=1 74 B6R0.2 [O-]C(=O)CC([O-])=O T28870 [0,0,0,0,1,0|0,0,2]=3 75 B8R0.28 CC(=O)CC/C=C(/C)C TN6832 [0,0,0,0,0,1|3,0,0]=4 76 B8R0.28 CC(=O)NCCC(O)=O T1373 [0,0,0,0,0,1|1,0,0]=2 77 B8R0.28 NC(=N)NCCC(O)=O T7535 [0,0,0,0,0,1|2,0,0]=3 78 B8R0.28 NC(=O)NCCC(O)=O T4919 [0,0,0,0,0,1|1,0,0]=2 79 B8R0.28 OC(=O)CCCC(O)=O T4794 [0,0,0,0,0,1|0,0,0]=1 80 B8R0.28 OC(=O)CSCC(O)=O T19746 [0,0,0,0,0,1|0,0,0]=1 81 B5R0.1 C/C=C/C(O)=O T5301 [2,0,0,0,0,0|1,0,1]=4 82 B5R0.1 CCCC([O-])=O T1393 [2,0,0,0,0,0|0,0,2]=4 83 B5R0.1 CNCC(O)=O T6975 [2,0,0,0,0,0|1,0,1]=4 84 B5R0.1 C[C@@H](CCO)O T9257 [2,0,0,0,0,0|1,0,1]=4 85 B5R0.1 C[C@@H](O)CCO T19538 [2,0,0,0,0,0|1,0,1]=4 86 B5R0.1 NCCC(O)=O T0627 [2,0,0,0,0,0|1,0,0]=3 87 B5R0.1 NCCP(O)=O TN2749 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.1 NCCS(O)=O T5225 [2,0,0,0,0,0|2,0,0]=4 89 B5R0.1 NOCC(O)=O T29033 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.1 NOCC(O)=O T5880 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.2 CCC(C)CC(O)=O T19122 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.2 CCC(O)CC(O)=O T19121 [1,1,0,0,0,0|1,0,1]=4 93 B7R0.2 NCC(O)CC(O)=O T0028 [1,1,0,0,0,0|1,0,1]=4 94 B7R0.2 NC[C@@H](O)CC(O)=O T21409 [1,1,0,0,0,0|1,0,1]=4 95 B7R0.2 OC[C@@H](O)CC(O)=O T13978 [1,1,0,0,0,0|0,0,1]=3 96 B7R0.3 COC(=O)CCCN T22364 [1,1,0,0,0,0|1,0,1]=4 97 B7R0.4 NCCCCC(O)=O T5089 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.4 OC(=O)COCCBr T14786 [1,1,0,0,0,0|1,0,1]=4 99 B7R0.5 C#CCC(C(=O)O)N T20129 [1,1,0,0,0,0|1,0,1]=4 100 B7R0.5 CC(CC=C)C(O)=O T8058 [1,1,0,0,0,0|1,0,0]=3 101 B7R0.5 CCCC(C)C(O)=O T5685 [1,1,0,0,0,0|1,0,1]=4 102 B7R0.5 CCCC(N)C(O)=O T11054 [1,1,0,0,0,0|1,0,1]=4 103 B7R0.5 CCC[C@H](N)C(O)=O T4788 [1,1,0,0,0,0|1,0,1]=4 104 B7R0.5 CSC[C@H](N)C(O)=O T8072 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.5 C[Se]C[C@H](N)C(O)=O T7727 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.5 NC(CC=C)C(O)=O T25052 [1,1,0,0,0,0|1,0,0]=3 107 B7R0.5 NC(CCS)C(O)=O T4863 [1,1,0,0,0,0|0,1,1]=4 108 B7R0.5 NCC[C@H](N)C(O)=O T7595 [1,1,0,0,0,0|1,0,1]=4 109 B7R0.5 N[C@@H](CC#N)C(O)=O T13576 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.5 N[C@@H](CC=C)C(O)=O T37190 [1,1,0,0,0,0|1,0,0]=3 111 B7R0.5 N[C@@H](CCO)C(O)=O T4757 [1,1,0,0,0,0|0,0,1]=3 112 B7R0.5 N[C@@H](CCS)C(O)=O T19392 [1,1,0,0,0,0|0,1,1]=4 113 B7R0.5 N[C@@H](CNC)C(O)=O T22911 [1,1,0,0,0,0|2,0,0]=4 114 B7R0.5 N[C@@H](CSS)C(O)=O T26269 [1,1,0,0,0,0|1,1,0]=4 115 B7R0.9 CC(C)(O)CC(O)=O T0613 [0,1,0,0,1,0|1,0,1]=4 116 B7R0.9 OC(=O)CP(O)(O)=O T4729 [0,1,0,0,1,0|1,0,0]=3 117 B7R0.16 CC(C(O)=O)C(O)=O T4817 [0,1,0,0,1,0|0,0,0]=2 118 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O T2O2777 [0,1,0,0,1,0|1,0,1]=4 119 B7R0.16 C[C@@H]([C@H](C(O)=O)N)O T40729 [0,1,0,0,1,0|1,0,1]=4 120 B7R0.16 C[C@H](O)[C@H](N)C(O)=O T5076 [0,1,0,0,1,0|1,0,1]=4 121 B7R0.16 NC(C(O)=O)C(O)=O T5244 [0,1,0,0,1,0|0,0,0]=2 122 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O T13656 [0,1,0,0,1,0|1,0,1]=4 123 B7R0.16 O=C([C@@H]([C@@H](O)C)N)O T21248 [0,1,0,0,1,0|1,0,1]=4 124 B7R0.16 OC(=O)C(=O)C(O)=O T25792 [0,1,0,0,1,0|0,0,1]=3 125 B9R0.1 COC(=O)CCCC(O)=O T4764 [0,1,0,0,0,1|0,0,0]=2 126 B9R0.1 OC(=O)CCNC(=O)CBr T16222 [0,1,0,0,0,1|1,0,0]=3 127 B9R0.7 C(=O)([C@@H](N)CCC(=O)N)O T0326L [0,1,0,0,0,1|1,0,0]=3 128 B9R0.7 CC(=O)OC[C@H](N)C(O)=O T4722 [0,1,0,0,0,1|1,0,0]=3 129 B9R0.7 CC(=O)OC[C@H](N)C(O)=O T8095 [0,1,0,0,0,1|1,0,0]=3 130 B9R0.7 CC(CCC(O)=O)C(O)=O T5063 [0,1,0,0,0,1|0,0,0]=2 131 B9R0.7 CC(CCC(O)=O)C(O)=O T5260 [0,1,0,0,0,1|0,0,0]=2 132 B9R0.7 CS(=O)CCC(N)C(O)=O T19418 [0,1,0,0,0,1|2,0,0]=4 133 B9R0.7 CS(=O)CC[C@@H](N)C(O)=O T19265 [0,1,0,0,0,1|2,0,0]=4 134 B9R0.7 CS(=O)CC[C@H](N)C(O)=O T19397 [0,1,0,0,0,1|2,0,0]=4 135 B9R0.7 NC(CCC(N)=O)C(O)=O T0326 [0,1,0,0,0,1|1,0,0]=3 136 B9R0.7 NC(CCC(O)=O)C([O-])=O T20365 [0,1,0,0,0,1|0,0,1]=3 137 B9R0.7 NC(CCC(O)=O)C([O-])=O T30691 [0,1,0,0,0,1|0,0,1]=3 138 B9R0.7 NC(CCC(O)=O)C([O-])=O T35369 [0,1,0,0,0,1|0,0,1]=3 139 B9R0.7 NC(CCC([O-])=O)C([O-])=O T31941 [0,1,0,0,0,1|0,0,2]=4 140 B9R0.7 NC(CC[C@H](N)C(O)=O)=O T34105 [0,1,0,0,0,1|1,0,0]=3 141 B9R0.7 N[C@@H](CCC(N)=O)C(N)=O T25454 [0,1,0,0,0,1|2,0,0]=4 142 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T24594 [0,1,0,0,0,1|0,0,0]=2 143 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T2A2497 [0,1,0,0,0,1|0,0,0]=2 144 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T31266 [0,1,0,0,0,1|0,0,0]=2 145 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T34937 [0,1,0,0,0,1|0,0,0]=2 146 B9R0.7 N[C@@H](CCC(O)=O)C([O-])=O T6871 [0,1,0,0,0,1|0,0,1]=3 147 B9R0.7 N[C@@H](CC[14C](O)=O)C(O)=O T32734 [0,1,0,0,0,1|0,0,0]=2 148 B9R0.7 N[C@@H](CNC(N)=O)C(O)=O T20121 [0,1,0,0,0,1|1,0,0]=3 149 B9R0.7 N[C@H](CCC(N)=O)C(O)=O T6468 [0,1,0,0,0,1|1,0,0]=3 150 B9R0.7 N[C@H](CCC(O)=O)C(O)=O T10935 [0,1,0,0,0,1|0,0,0]=2 151 B9R0.7 N[C@H](CCS(C)=O)C(O)=O T19264 [0,1,0,0,0,1|2,0,0]=4 152 B9R0.7 O=C([O-])C(CCC([O-])=O)=O T9259 [0,1,0,0,0,1|0,0,2]=4 153 B9R0.7 OC(=O)CCC(=O)C(O)=O T21024 [0,1,0,0,0,1|0,0,0]=2 154 B9R0.7 OC(=O)CCC(=O)C(O)=O T5980 [0,1,0,0,0,1|0,0,0]=2 155 B9R0.7 OC(=O)CCC(=O)C([O-])=O T4920 [0,1,0,0,0,1|0,0,1]=3 156 B9R0.7 OC(=O)CNC(=O)C(O)=O T21634 [0,1,0,0,0,1|0,0,1]=3 157 B9R0.7 OC(CCC([O-])=O)C([O-])=O T21665 [0,1,0,0,0,1|0,0,2]=4 158 B9R0.7 O[C@@H](CCC(O)=O)C(O)=O T13749 [0,1,0,0,0,1|0,0,0]=2 159 B9R0.7 O[C@@H](CCC([O-])=O)C([O-])=O T13748 [0,1,0,0,0,1|0,0,2]=4 160 B9R0.7 O[C@H](CCC([O-])=O)C([O-])=O T6820 [0,1,0,0,0,1|0,0,2]=4 161 B9R0.7 [O-]C(=O)CCC(=O)C([O-])=O T10664 [0,1,0,0,0,1|0,0,2]=4 162 B9R0.53 CC(CC(O)=O)CC(O)=O T4766 [0,1,0,0,0,1|0,0,0]=2 163 B9R0.53 OC(=O)CC(=O)CC(O)=O T5614 [0,1,0,0,0,1|0,0,0]=2 164 B9R0.53 OC(CC(O)=O)CC(O)=O TQ0024 [0,1,0,0,0,1|0,0,0]=2 165 B9R0.56 OC(=O)CNCP(O)(O)=O T19857 [0,1,0,0,0,1|1,0,0]=3 166 B9R0.56 OC(=O)CNCP(O)([O-])=O T20547 [0,1,0,0,0,1|1,0,0]=3 167 B9R0.21 O=C(CO)COP(O)([O-])=O T19281L [0,2,0,0,0,0|2,0,0]=4 168 B9R0.21 OCC(=O)COP(O)(O)=O T19281 [0,2,0,0,0,0|2,0,0]=4 169 B9R0.23 CN(CC(O)=O)C(=O)CN T8915 [0,2,0,0,0,0|2,0,0]=4 170 B9R0.24 COC(=O)/C=C/C(=O)OC T0492 [0,2,0,0,0,0|0,0,2]=4 171 B9R0.24 COC(=O)CCC(=O)CN T19421 [0,2,0,0,0,0|1,0,0]=3 172 B9R0.24 COC(=O)CCC(=O)CN T5002 [0,2,0,0,0,0|1,0,0]=3 173 B9R0.24 COC(=O)CCC(=O)OC T5696 [0,2,0,0,0,0|0,0,0]=2 174 B9R0.42 COC(=O)C[C@H](O)C([O-])=O TN4487 [0,2,0,0,0,0|0,0,1]=3 175 B9R0.42 N[C@@H](CN(O)N=O)C(O)=O T15691 [0,2,0,0,0,0|1,0,0]=3 176 B9R0.42 O=C(O)C(C)OC(CO)=O T19521 [0,2,0,0,0,0|1,0,0]=3 177 B9R0.48 CCOC(=O)/C=C/C(O)=O TN6813 [0,2,0,0,0,0|0,0,2]=4 178 B9R0.11 CC(C)(CC(O)=O)C(O)=O T19092 [0,2,0,0,0,0|0,0,0]=2 179 B9R0.11 CC(O)(CC([O-])=O)C([O-])=O T4948 [0,2,0,0,0,0|0,0,2]=4 180 B9R0.39 CC(=O)N[C@@H](CS)C(O)=O T0875 [0,2,0,0,0,0|2,0,0]=4 181 B9R0.39 CC(=O)N[C@@H](CS)C(O)=O T33570 [0,2,0,0,0,0|2,0,0]=4 182 B9R0.39 CC(=O)N[C@H](CS)C(O)=O T38155 [0,2,0,0,0,0|2,0,0]=4 183 B9R0.39 CN[C@H](CC(=O)O)C(=O)O T6608 [0,2,0,0,0,0|0,0,0]=2 184 B9R0.39 NCN(CC(O)=O)C(O)=O T31957 [0,2,0,0,0,0|1,0,0]=3 185 B9R0.39 [O-]C(=O)CC(S[Au])C([O-])=O T20168 [0,2,0,0,0,0|0,0,2]=4 186 B9R0.57 C(C(C(=O)O)N)P(=O)(O)O T22730 [0,2,0,0,0,0|1,0,0]=3 187 B9R0.57 N[C@@H](CS(=O)(O)=O)C(O)=O T23930 [0,2,0,0,0,0|1,0,0]=3 188 B9R0.57 N[C@@H](CS(O)(=O)=O)C(O)=O T5083 [0,2,0,0,0,0|1,0,0]=3 189 B9R0.79 CC(O)[C@H](C)[C@H](N)C(O)=O T7448 [0,2,0,0,0,0|1,0,1]=4 190 B9R0.79 CC(O)[C@H](C)[C@H](N)C(O)=O TN6405 [0,2,0,0,0,0|1,0,1]=4 191 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(O)=O T2P2919 [0,2,0,0,0,0|1,0,1]=4 192 B9R0.79 N[C@@H]([C@H](O)C(O)=O)C(O)=O T22916 [0,2,0,0,0,0|0,0,0]=2 193 B9R0.79 OC(=O)C(/O)=C(\O)C(O)=O T4931 [0,2,0,0,0,0|0,0,2]=4 194 B9R0.79 OC(C(O)C(O)=O)C(O)=O T5803 [0,2,0,0,0,0|0,0,0]=2 195 B9R0.79 OC(C(O)C([O-])=O)C([O-])=O T5203 [0,2,0,0,0,0|0,0,2]=4 196 B9R0.79 O[C@@H]([C@@H](O)C(O)=C)C(O)=C T23990 [0,2,0,0,0,0|2,0,0]=4 197 B9R0.79 O[C@@H]([C@@H](O)C(O)=O)C(O)=O T5062 [0,2,0,0,0,0|0,0,0]=2 198 B9R0.79 O[C@@H]([C@H](O)C(O)=O)C(O)=O T4906 [0,2,0,0,0,0|0,0,0]=2 199 B9R0.79 O[C@H]([C@@H](O)C(O)=O)C(O)=O T5059 [0,2,0,0,0,0|0,0,0]=2 200 B9R0.79 O[C@H]([C@@H](O)C([O-])=O)C(O)=O T6805 [0,2,0,0,0,0|0,0,1]=3 201 B9R0.79 O[C@H]([C@H](C(O)=O)O)C(O)=O TN1595 [0,2,0,0,0,0|0,0,0]=2 202 B9R0.79 [C@@H]([C@@H](C(=O)O)S)(C(=O)O)S T2552 [0,2,0,0,0,0|0,0,0]=2 203 B9R0.77 OS(=O)(=O)CCS(O)(=O)=O T27007 [0,2,0,0,0,0|2,0,0]=4 204 B7R1.2 CC1=CCC(=O)O1 T7995 [1,0,0,1,0,0|1,0,1]=4 205 B7R1.2 O=C1CCC(=O)O1 T18723 [1,0,0,1,0,0|0,0,0]=2 206 B7R1.2 OC1CCC(=O)N1 TN3117 [1,0,0,1,0,0|1,0,1]=4 207 B7R1.3 O=C1CCCCO1 T4821 [1,0,0,1,0,0|1,0,1]=4 208 B7R1.18 OC(=O)C1CCN1 T8100 [1,0,0,1,0,0|1,0,1]=4 209 B7R1.18 OC(=O)[C@@H]1CCN1 TN6928 [1,0,0,1,0,0|1,0,1]=4 210 B9R1.35 C(=O)([C@H]1NC(=O)CC1)O T0507 [0,0,0,1,0,1|1,0,0]=3 211 B9R1.35 O=C(O)C1CCC(N1)=O T9371 [0,0,0,1,0,1|1,0,0]=3 212 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 T31268 [0,0,0,1,0,1|1,0,0]=3 213 B9R1.35 OC(=O)[C@@H]1CSC(=O)N1 T5365 [0,0,0,1,0,1|1,0,0]=3 214 B9R1.35 OC(=O)[C@H]1CCC(=O)N1 T4814 [0,0,0,1,0,1|1,0,0]=3 215 B9R1.35 OC1CCC(=C1)C(O)=O T24146 [0,0,0,1,0,1|1,0,1]=4 216 B9R1.35 O[C@@H]1CN[C@@H](C1)C(O)=O T37512 [0,0,0,1,0,1|1,0,1]=4 217 B9R1.35 O[C@H]1CN[C@@H](C1)C(O)=O T2A2476 [0,0,0,1,0,1|1,0,1]=4 218 B9R1.35 O[C@H]1CN[C@H](C1)C(O)=O T4712 [0,0,0,1,0,1|1,0,1]=4 219 B5R0.5 CC(=O)C(O)=O T4804 [0,0,0,0,2,0|1,0,0]=3 220 B5R0.5 CC(=O)C([O-])=O T7717 [0,0,0,0,2,0|1,0,1]=4 221 B5R0.5 CC(O)C(O)=O TN6945 [0,0,0,0,2,0|1,0,1]=4 222 B5R0.5 C[C@@H](O)C(O)=O T10943 [0,0,0,0,2,0|1,0,1]=4 223 B5R0.5 C[C@H](O)C(O)=O T4845 [0,0,0,0,2,0|1,0,1]=4 224 B5R0.5 NC(=O)C([O-])=O T19831 [0,0,0,0,2,0|1,0,1]=4 225 B5R0.5 OC(=O)C(O)=O T2O2680 [0,0,0,0,2,0|0,0,0]=2 226 B5R0.5 OC(=O)C(O)=O T5064 [0,0,0,0,2,0|0,0,0]=2 227 B9R0.55 CC(=O)NCCCC(O)=O T4728 [0,0,0,0,0,2|1,0,0]=3 228 B9R0.55 CC(=O)OCCCC(O)=O T23605 [0,0,0,0,0,2|1,0,0]=3 229 B9R0.55 NC(=N)NCCCC(O)=O T4927 [0,0,0,0,0,2|2,0,0]=4 230 B9R0.55 OC(=O)/C=C/C=C/C(O)=O T7154 [0,0,0,0,0,2|0,0,2]=4 231 B9R0.55 OC(=O)/C=C/C=C\C(O)=O T5588 [0,0,0,0,0,2|0,0,2]=4 232 B9R0.55 OC(=O)C/C=C/CC(O)=O T5246 [0,0,0,0,0,2|0,0,0]=2 233 B9R0.55 OC(=O)CCCCC(O)=O T2228 [0,0,0,0,0,2|0,0,0]=2 234 B9R0.55 OC(=O)CCCCC(O)=O T7146 [0,0,0,0,0,2|0,0,0]=2