0 B8R0.28 CC(=O)CC/C=C(/C)C TN6832 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(=O)NCCC(O)=O T1373 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.28 CC(C)CCCC(C)N T22389 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.28 NC(=N)NCCC(O)=O T7535 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 NC(=O)NCCC(O)=O T4919 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.28 OC(=O)CCCC(O)=O T4794 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.28 OC(=O)CSCC(O)=O T19746 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 NCCCCC(O)=O T5089 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.4 OC(=O)COCCBr T14786 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.1 CN[C@H](C)CCC=C(C)C T27155 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.1 COC(=O)CCCC(O)=O T4764 [0,1,0,0,0,0|1,0,1]=3 11 B9R0.1 OC(=O)CCNC(=O)CBr T16222 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.7 C(=O)([C@@H](N)CCC(=O)N)O T0326L [0,1,0,0,0,0|2,0,1]=4 13 B9R0.7 CC(=O)OC[C@H](N)C(O)=O T4722 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.7 CC(=O)OC[C@H](N)C(O)=O T8095 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.7 CC(CCC(O)=O)C(O)=O T5063 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.7 CC(CCC(O)=O)C(O)=O T5260 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.7 CC(S)C(=O)NCC(O)=O T1630 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.7 CS(=O)CCC(N)C(O)=O T19418 [0,1,0,0,0,0|2,0,0]=3 19 B9R0.7 CS(=O)CC[C@@H](N)C(O)=O T19265 [0,1,0,0,0,0|2,0,0]=3 20 B9R0.7 CS(=O)CC[C@H](N)C(O)=O T19397 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.7 C[S+](C)CCC(N)C(O)=O T7908 [0,1,0,0,0,0|1,0,0]=2 22 B9R0.7 C[S+](C)CC[C@H](N)C(O)=O T19919 [0,1,0,0,0,0|1,0,0]=2 23 B9R0.7 NC(CCC(N)=O)C(O)=O T0326 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.7 NC(CCC(O)=O)C([O-])=O T20365 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.7 NC(CCC(O)=O)C([O-])=O T30691 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.7 NC(CCC(O)=O)C([O-])=O T35369 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.7 NC(CC[C@H](N)C(O)=O)=O T34105 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T24594 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T2A2497 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T31266 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T34937 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.7 N[C@@H](CCC(O)=O)C([O-])=O T6871 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.7 N[C@@H](CC[14C](O)=O)C(O)=O T32734 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.7 N[C@H](CCC(N)=O)C(O)=O T6468 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.7 N[C@H](CCC(O)=O)C(O)=O T10935 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.7 N[C@H](CCS(C)=O)C(O)=O T19264 [0,1,0,0,0,0|2,0,0]=3 37 B9R0.7 O[C@@H](CCC(O)=O)C(O)=O T13749 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.53 CC(C)CC(O)CC(C)C T20384 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.53 CC(CC(O)=O)CC(O)=O T4766 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.53 OC(CC(O)=O)CC(O)=O TQ0024 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.56 CC(=O)OCC[N+](C)(C)C T1221 [0,1,0,0,0,0|3,0,0]=4 42 B9R0.56 CC(=O)OCC[N+](C)(C)C T20344 [0,1,0,0,0,0|3,0,0]=4 43 B9R0.56 CC(=O)OCC[N+](C)(C)C T20522 [0,1,0,0,0,0|3,0,0]=4 44 B9R0.56 CC(=O)OCC[N+](C)(C)C T6751 [0,1,0,0,0,0|3,0,0]=4 45 B9R0.56 CC(N)CCCC(C)(C)O T0045 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.56 C[N+](C)(C)CCCC(O)=O T4702 [0,1,0,0,0,0|1,0,0]=2 47 B9R0.56 C[N+](C)(C)NCCC([O-])=O T3268 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.35 C(=O)([C@H]1NC(=O)CC1)O T0507 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.35 O=C(O)C1CCC(N1)=O T9371 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 T31268 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.35 OC(=O)[C@H]1CCC(=O)N1 T4814 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.35 OC1CCC(=C1)C(O)=O T24146 [0,0,0,1,0,0|1,0,2]=4 53 B9R1.35 O[C@@H]1CN[C@@H](C1)C(O)=O T37512 [0,0,0,1,0,0|2,0,0]=3 54 B9R1.35 O[C@H]1CN[C@@H](C1)C(O)=O T2A2476 [0,0,0,1,0,0|2,0,0]=3 55 B9R1.35 O[C@H]1CN[C@H](C1)C(O)=O T4712 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,0,0,1,0,0|3,0,0]=4 57 B7R0.6 CC(=O)CCC(O)=O T5551 [0,0,0,0,1,0|1,0,1]=3 58 B7R0.6 CC(=O)NCC(O)=O T4822 [0,0,0,0,1,0|2,0,1]=4 59 B7R0.6 CC(C)CCC(O)=O T19138 [0,0,0,0,1,0|0,0,0]=1 60 B7R0.6 OC(=O)CCC(O)=O T2719 [0,0,0,0,1,0|2,0,1]=4 61 B7R0.6 OC(=O)CC[N+]([O-])=O T3009 [0,0,0,0,1,0|3,0,0]=4 62 B9R0.55 CC(=O)NCCCC(O)=O T4728 [0,0,0,0,0,1|1,0,1]=3 63 B9R0.55 CC(=O)OCCCC(O)=O T23605 [0,0,0,0,0,1|1,0,1]=3 64 B9R0.55 CN(C)CCCSC(N)=N T22724 [0,0,0,0,0,1|3,0,0]=4 65 B9R0.55 NC(=N)NCCCC(O)=O T4927 [0,0,0,0,0,1|2,0,1]=4 66 B9R0.55 OC(=O)CCCCC(O)=O T2228 [0,0,0,0,0,1|2,0,1]=4 67 B9R0.55 OC(=O)CCCCC(O)=O T7146 [0,0,0,0,0,1|2,0,1]=4 68 B6R0.4 CC(C)CCC=O T20931 [2,0,0,0,0,0|0,0,0]=2 69 B6R0.4 CCOCC(O)=O T37501 [2,0,0,0,0,0|1,0,0]=3 70 B6R0.4 COCCC(O)=O T20899 [2,0,0,0,0,0|1,0,0]=3 71 B6R0.4 CSCCC(O)=O T5285 [2,0,0,0,0,0|1,0,0]=3 72 B6R0.4 NCCCC(O)=O T0508 [2,0,0,0,0,0|1,0,0]=3 73 B6R0.4 OC(=O)CCC#C T0580 [2,0,0,0,0,0|0,0,2]=4 74 B6R0.4 OC(=O)CCC=C T8032 [2,0,0,0,0,0|0,0,2]=4 75 B6R0.6 CCC/C=C/C=O T8099 [2,0,0,0,0,0|0,0,2]=4 76 B6R0.6 CCCCCCO TN6891 [2,0,0,0,0,0|0,0,1]=3 77 B8R0.5 CCCC(C)OC(N)=O T32052 [1,1,0,0,0,0|2,0,0]=4 78 B8R0.5 CCOC(=O)CC(O)=O T4773 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.6 CCCCCC(O)CC TN1267 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.7 CC(=O)NCCCCN T7508 [1,1,0,0,0,0|2,0,0]=4 81 B8R0.7 CCCCCCC(C)=O TN6693 [1,1,0,0,0,0|1,0,0]=3 82 B8R0.7 NCCCCCC(O)=O T0881 [1,1,0,0,0,0|0,0,0]=2 83 B8R0.7 NCCOCCC(O)=O T14222 [1,1,0,0,0,0|1,0,0]=3 84 B8R0.7 OC(=O)CCOCC#C T16583 [1,1,0,0,0,0|0,0,2]=4 85 B8R0.7 OC(=O)CCOCCBr T14783 [1,1,0,0,0,0|1,0,0]=3 86 B8R0.7 OCCOCCC(O)=O T15510 [1,1,0,0,0,0|1,0,0]=3 87 B8R0.8 C(=O)([C@@H](N)CCCN)O T0737 [1,1,0,0,0,0|1,0,0]=3 88 B8R0.8 CCCCC(C)C(O)=O T8080 [1,1,0,0,0,0|0,0,0]=2 89 B8R0.8 CCCCC(O)C(O)=O T5224 [1,1,0,0,0,0|0,0,0]=2 90 B8R0.8 CCCC[C@H](N)C(O)=O T4765 [1,1,0,0,0,0|0,0,0]=2 91 B8R0.8 COCCC(N)C(O)=O T33328 [1,1,0,0,0,0|1,0,0]=3 92 B8R0.8 CSCCC(N)C(O)=O TJO2742 [1,1,0,0,0,0|1,0,0]=3 93 B8R0.8 CSCCC(O)C(O)=O T20705 [1,1,0,0,0,0|1,0,0]=3 94 B8R0.8 CSCCC(O)C([O-])=O T5082 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.8 CSCC[C@H](N)C(O)=O T32390 [1,1,0,0,0,0|1,0,0]=3 96 B8R0.8 CSCC[C@H](N)C(O)=O T4844 [1,1,0,0,0,0|1,0,0]=3 97 B8R0.8 C[75Se]CC[C@H](N)C(O)=O T34608 [1,1,0,0,0,0|1,0,0]=3 98 B8R0.8 C[Se]CCC(N)C(O)=O T1658 [1,1,0,0,0,0|1,0,0]=3 99 B8R0.8 C[Se]CC[C@H](N)C(O)=O T5372 [1,1,0,0,0,0|1,0,0]=3 100 B8R0.8 NCCC[C@@H](N)C(O)=O T0551 [1,1,0,0,0,0|1,0,0]=3 101 B8R0.8 NCCC[C@H](N)C(O)=O T2O2701 [1,1,0,0,0,0|1,0,0]=3 102 B8R0.8 NOCC[C@H](N)C(O)=O T11802 [1,1,0,0,0,0|2,0,0]=4 103 B8R0.8 N[C@@H](CCC#C)C(O)=O T15694 [1,1,0,0,0,0|0,0,2]=4 104 B8R0.9 NC(CCC(O)=O)C=C T0128 [1,1,0,0,0,0|0,0,2]=4 105 B8R0.9 NC(CCC(O)=O)C=C T0128L [1,1,0,0,0,0|0,0,2]=4 106 B8R0.9 NCC(=O)CCC(O)=O T14047 [1,1,0,0,0,0|1,0,1]=4 107 B8R0.9 NCC(=O)CCC(O)=O T1662 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.21 OP(O)(=O)CCCCBr T14039 [1,1,0,0,0,0|2,0,0]=4 109 B8R0.23 CC(C)C(N)CC(O)=O T5569 [0,1,0,0,1,0|0,0,0]=2 110 B8R0.23 CC(C)CC(=O)C(O)=O T5071 [0,1,0,0,1,0|0,0,1]=3 111 B8R0.23 CC(C)CC(N)C(O)=O T4772 [0,1,0,0,1,0|0,0,0]=2 112 B8R0.23 CC(C)C[C@@H](O)C(O)=O T19539 [0,1,0,0,1,0|0,0,0]=2 113 B8R0.23 CC(C)C[C@H](C(O)=O)N T9299 [0,1,0,0,1,0|0,0,0]=2 114 B8R0.23 CC(C)C[C@H](N)C(O)=O T3O2749 [0,1,0,0,1,0|0,0,0]=2 115 B8R0.23 CC(C)C[C@H](N)[13C](O)=O T32811 [0,1,0,0,1,0|0,0,0]=2 116 B8R0.23 CC(C)C[C@H](O)C(O)=O T5294 [0,1,0,0,1,0|0,0,0]=2 117 B8R0.23 CN(C)CC(N)C(O)=O T25128 [0,1,0,0,1,0|1,0,0]=3 118 B8R0.23 CS(=O)C[C@@H](N)C(O)=O T19759 [0,1,0,0,1,0|2,0,0]=4 119 B8R0.23 N[C@@H](CC(Cl)Cl)C(O)=O T30135 [0,1,0,0,1,0|2,0,0]=4 120 B8R0.29 CC(C)(O)CCC([O-])=O T29058 [0,1,0,0,1,0|0,0,1]=3 121 B10R0.15 C[N+](C)(C)CCCCC([O-])=O T19274 [0,1,0,0,0,1|1,0,1]=4 122 B10R0.55 COC(=O)CCCCC(O)=O T33475 [0,1,0,0,0,1|1,0,1]=4 123 B10R0.96 CC(=O)CC(=O)CCC(O)=O T8273 [0,1,0,0,0,1|1,0,1]=4 124 B10R0.96 CC(C)CC(=O)NCC(O)=O T5245 [0,1,0,0,0,1|0,0,1]=3 125 B10R0.96 CN(C)NC(=O)CCC(O)=O T3719 [0,1,0,0,0,1|1,0,1]=4 126 B10R0.3 CCCC(=O)OCCC(C)C TN6702 [0,2,0,0,0,0|2,0,0]=4 127 B10R0.59 COC(=O)CCCC(=O)OC T20909 [0,2,0,0,0,0|1,0,1]=4 128 B10R0.82 COC(=O)CC[C@H](N)C(O)=O T32663 [0,2,0,0,0,0|1,0,1]=4 129 B10R0.82 NCC(O)CCC(N)C(O)=O T4937 [0,2,0,0,0,0|1,0,0]=3 130 B10R0.82 NC[C@H](O)CC[C@H](N)C(O)=O T19394 [0,2,0,0,0,0|1,0,0]=3 131 B10R0.92 CP(O)(=O)CCC(N)C(O)=O T15391 [0,2,0,0,0,0|2,0,0]=4 132 B10R0.92 CP(O)(=O)CCC(N)C(O)=O T15391L [0,2,0,0,0,0|2,0,0]=4 133 B10R0.92 CS(=N)(=O)CC[C@H](N)C(O)=O T41299 [0,2,0,0,0,0|2,0,0]=4 134 B10R0.31 C[N+](C)(C)CC(O)CC(=O)[O-] T0743 [0,2,0,0,0,0|1,0,1]=4 135 B10R0.31 C[N+](C)(C)CC(O)CC([O-])=O T6475 [0,2,0,0,0,0|1,0,1]=4 136 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(O)=O T2203 [0,2,0,0,0,0|1,0,0]=3 137 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[O-] T0846 [0,2,0,0,0,0|1,0,1]=4 138 B10R0.31 C[N+](C)(C)C[C@H](O)CC(O)=O T20123 [0,2,0,0,0,0|1,0,0]=3 139 B10R0.31 C[N+](C)(C)C[C@H](O)CC([O-])=O T20193 [0,2,0,0,0,0|1,0,1]=4 140 B10R0.70 CC(C)C[C@@H](CN)CC(O)=O T8923 [0,2,0,0,0,0|0,0,0]=2 141 B8R1.1 CCC1CCC(=O)O1 T8098 [1,0,0,1,0,0|0,0,0]=2 142 B8R1.1 COC1CCC(=O)N1 TN4855 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.1 OC[C@H]1CC[C@H](O)C1 TN2950 [1,0,0,1,0,0|1,0,1]=4 145 B8R1.4 CC1CC=CC(=O)O1 TN3177 [1,0,0,1,0,0|0,0,2]=4 146 B8R1.4 CC1CCN=C(N)C1 T21700 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.7 C1[C@@H](NCS1)C(=O)O T21115 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.7 OC(=O)C1CSCN1 T0221 [1,0,0,1,0,0|2,0,0]=4 149 B8R1.7 OC(=O)C1CSSC1 T10388 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.7 OC(=O)[C@@H]1CCCN1 T2O2683 [1,0,0,1,0,0|1,0,0]=3 151 B8R1.7 OC(=O)[C@@H]1CSCN1 T4292 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.7 OC(=O)[C@H]1CCCN1 T5302 [1,0,0,1,0,0|1,0,0]=3 153 B8R1.7 OC([C@H]1NCCC1)=O TN1593 [1,0,0,1,0,0|1,0,0]=3 154 B8R1.22 O=C1CCCCCN1 T20386 [1,0,0,1,0,0|1,0,0]=3 155 B8R1.22 O=C1NCCCCC1 T20195 [1,0,0,1,0,0|1,0,0]=3 156 B8R1.22 O=C1NCCCCC1 T32363 [1,0,0,1,0,0|1,0,0]=3 157 B10R1.113 CC1=N[C@@H](CCN1)C(O)=O T4038 [0,0,0,1,0,1|1,0,1]=4 158 B10R1.113 CN1CC(C(O)=O)=CCC1 TN1398 [0,0,0,1,0,1|1,0,1]=4 159 B10R1.113 CN1CCC=C(C1)C(O)=O T5799 [0,0,0,1,0,1|1,0,1]=4 160 B10R1.128 C[N+]1(C)CCC[C@H]1C([O-])=O T23398 [0,0,0,1,0,1|1,0,1]=4 161 B10R1.128 C[N+]1(C)CCC[C@H]1C([O-])=O T5769 [0,0,0,1,0,1|1,0,1]=4 162 B10R1.128 C[N+]1(CCC[C@H]1C(=O)O)C T3251 [0,0,0,1,0,1|1,0,0]=3 163 B10R1.13 CC(C)C1CCC(=C)C=C1 T5621 [0,1,0,1,0,0|2,0,0]=4 164 B10R1.13 OC1CCC(CC1)C(O)=O T19135 [0,1,0,1,0,0|1,0,0]=3 165 B10R1.13 O[C@H]1CC[C@@H](CC1)C(O)=O T8091 [0,1,0,1,0,0|1,0,0]=3 166 B10R1.59 N[C@H]1CC(=C)C[C@H]1C(O)=O T27580 [0,1,0,1,0,0|0,0,2]=4 167 B10R1.329 C1(OC(CC(O1)=O)=O)(C)C T21221 [0,1,0,1,0,0|1,0,1]=4 168 B6R0.2 CC(C)=CC(O)=O T5305 [0,0,0,0,2,0|0,0,2]=4 169 B6R0.2 CC(C)CC(N)=O T0361 [0,0,0,0,2,0|1,0,0]=3 170 B6R0.2 CC(C)CC(O)=O T5609 [0,0,0,0,2,0|0,0,0]=2 171 B6R0.2 CC(CC(O)=O)N TN6756 [0,0,0,0,2,0|1,0,0]=3 172 B6R0.2 CC(O)CC(O)=O T4947 [0,0,0,0,2,0|1,0,0]=3 173 B6R0.2 CN(C)CC(O)=O T4120 [0,0,0,0,2,0|1,0,0]=3 174 B6R0.2 C[C@@H](O)CC(O)=O T5248 [0,0,0,0,2,0|1,0,0]=3 175 B6R0.2 C[C@H](O)CC(O)=O T13979 [0,0,0,0,2,0|1,0,0]=3