0 B7R0.2 CCC(C)CC(O)=O T19122 [1,0,0,0,0,0|2,0,0]=3 1 B7R0.2 CCC(O)CC(O)=O T19121 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.2 COC(=O)CC(C)=O T4851 [1,0,0,0,0,0|1,1,1]=4 3 B7R0.9 CC(=O)CC(C)(C)N TMA2536 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.9 CC(C)(O)CC(O)=O T0613 [1,0,0,0,0,0|1,1,0]=3 5 B7R0.9 CC(O)CC(C)(C)O T0763 [1,0,0,0,0,0|0,1,2]=4 6 B7R0.9 C[N+](C)(C)CC(O)=O T0019 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.9 C[N+](C)(C)CC([O-])=O T3243 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.11 CC(C)(CC(O)=O)C(O)=O T19092 [0,1,0,0,0,0|3,0,0]=4 9 B9R0.58 CC(O)(CCO)CC(O)=O T19427 [0,1,0,0,0,0|3,0,0]=4 10 B9R0.58 C[C@](O)(CCO)CC(O)=O T32825 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.58 O=C(O)CC(C)(O)CCO T19426 [0,1,0,0,0,0|3,0,0]=4 12 B9R0.63 CCC(C)(CC)OC(N)=O T31620 [0,1,0,0,0,0|3,0,0]=4 13 B9R0.63 O=[P@@](OC)(NC(C)=O)SC T22545 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.63 O=[P@@](OC)(NC(C)=O)SC T22546 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,0,0,1,0,0|3,0,0]=4 16 B7R0.13 CCC(C)(O)C(O)=O T5550 [0,0,0,0,1,0|3,0,0]=4 17 B7R0.13 CC[C@@](C)(N)C(O)=O T20589 [0,0,0,0,1,0|3,0,0]=4 18 B6R0.2 CC(C)CC(N)=O T0361 [2,0,0,0,0,0|1,0,0]=3 19 B6R0.2 CC(C)CC(O)=O T5609 [2,0,0,0,0,0|1,0,0]=3 20 B6R0.2 CC(CC(O)=O)N TN6756 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.2 CC(O)CC(O)=O T4947 [2,0,0,0,0,0|1,1,0]=4 22 B6R0.2 CN(C)CC(O)=O T4120 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.2 C[C@@H](O)CC(O)=O T5248 [2,0,0,0,0,0|1,1,0]=4 24 B6R0.2 C[C@H](O)CC(O)=O T13979 [2,0,0,0,0,0|1,1,0]=4 25 B6R0.4 COCCC(O)=O T20899 [2,0,0,0,0,0|1,1,0]=4 26 B6R0.4 CSCCC(O)=O T5285 [2,0,0,0,0,0|1,0,0]=3 27 B8R0.2 C(=O)([C@@H](N)[C@H](CC)C)O T0063 [1,1,0,0,0,0|2,0,0]=4 28 B8R0.2 CC[C@@H](C)[C@H](C(O)=O)N T9143 [1,1,0,0,0,0|2,0,0]=4 29 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O T5219 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.2 CC[C@H](C)[C@H](N)C(O)=O T30575 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.19 CCC(C)CC(=O)CC TN3128 [1,1,0,0,0,0|1,0,0]=3 32 B8R0.27 CC(C)(O)C(O)C(O)=O T50050 [1,1,0,0,0,0|1,1,0]=4 33 B8R0.27 CC(C)(S)C(N)C(O)=O T0983L [1,1,0,0,0,0|1,0,0]=3 34 B8R0.27 CC(C)(S)[C@@H](N)C(O)=O T0983 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.27 CC(C)(S)[C@H](N)C(O)=O T20118 [1,1,0,0,0,0|1,0,0]=3 36 B8R0.27 C[C@@H](C([O-])=O)[N+](C)(C)C T34947 [1,1,0,0,0,0|2,0,0]=4 37 B10R0.105 CSSC(C)(C)CCC(O)=O T17334 [0,1,0,0,0,1|1,0,0]=3 38 B8R1.1 CCC1CCC(=O)O1 T8098 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.1 COC1CCC(=O)N1 TN4855 [1,0,0,1,0,0|1,1,0]=4 40 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.63 COC1(CC1)C(O)=O T9437 [0,0,0,1,1,0|1,1,0]=4 42 B10R1.329 CC1=CC(=O)CC(C)(C)C1 T5671 [0,1,0,1,0,0|1,0,1]=4 43 B6R0.7 CC(C)(N)C(O)=O T4831 [1,0,0,0,1,0|2,0,0]=4 44 B6R0.7 CC(C)(O)C(O)=O T4787 [1,0,0,0,1,0|1,1,0]=4 45 B8R0.9 COC(C)COC(C)=O T20988 [1,0,0,0,0,1|0,1,0]=3 46 B8R0.29 CC(C)(O)CCC([O-])=O T29058 [1,0,0,0,0,1|1,1,0]=4