0 B8R0.23 C/C(=C/C(O)=O)C(O)=O T4525 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.23 CC(=CC(=O)O)C(=O)O T20880 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 CC(CC(O)=O)C(O)=O T5231 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.23 CS(=O)C[C@@H](N)C(O)=O T19759 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.23 C[C@H](NC(C)=O)C(O)=O T4839 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.23 NC(CC(N)=O)C(O)=O TN3877 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.23 NC(CC([O-])=O)C([O-])=O T8267 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.23 N[C@@H](CC(N)=O)C(O)=O T2O2774 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.23 N[C@@H](CC(N)=O)C(O)=O T8392 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.23 N[C@@H](CC(O)=O)C(O)=O T19399 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.23 N[C@@H](CC(O)=O)C(O)=O T2O2731 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O T19554 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.23 N[C@H](CC(N)=O)C(O)=O TN3748 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.23 N[C@H](CC(O)=O)C(O)=O T4885 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.23 OC(CC(O)=O)C(O)=O T20113 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.23 OC(CC(O)=O)C(O)=O T2S0850 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.23 O[C@@H](CC(O)=O)C(O)=O T4838 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.2 CCC(C)CC(O)=O T19122 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 CC(CC=C)C(O)=O T8058 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.5 CCCC(C)C(O)=O T5685 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.5 CCOC(=O)C(C)=O T8030 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.6 CC(=O)CCC(O)=O T5551 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.6 CC(=O)NCC(O)=O T4822 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.6 OC(=O)CCC(O)=O T2719 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.6 [O-]C(=O)CCC([O-])=O T8073 [1,0,0,0,0,0|3,0,0]=4 25 B9R0.11 CC(C)(CC(O)=O)C(O)=O T19092 [0,1,0,0,0,0|3,0,0]=4 26 B9R0.11 CC(O)(CC([O-])=O)C([O-])=O T4948 [0,1,0,0,0,0|3,0,0]=4 27 B9R0.23 CN(CC(O)=O)C(=O)CN T8915 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.39 CC(=O)N[C@@H](CS)C(N)=O T5518 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.39 CC(=O)N[C@@H](CS)C(O)=O T0875 [0,1,0,0,0,0|2,0,0]=3 30 B9R0.39 CC(=O)N[C@@H](CS)C(O)=O T33570 [0,1,0,0,0,0|2,0,0]=3 31 B9R0.39 CC(=O)N[C@H](CS)C(O)=O T38155 [0,1,0,0,0,0|2,0,0]=3 32 B9R0.39 CN[C@H](CC(=O)O)C(=O)O T6608 [0,1,0,0,0,0|3,0,0]=4 33 B9R0.42 COC(=O)C[C@H](O)C([O-])=O TN4487 [0,1,0,0,0,0|3,0,0]=4 34 B9R0.42 O=C(O)C(C)OC(CO)=O T19521 [0,1,0,0,0,0|1,0,0]=2 35 B9R1.35 C(=O)([C@H]1NC(=O)CC1)O T0507 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.35 O=C(O)C1CCC(N1)=O T9371 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 T31268 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.35 OC(=O)[C@@H]1CSC(=O)N1 T5365 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.35 OC(=O)[C@H]1CCC(=O)N1 T4814 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.69 C[C@@H]1NC(=O)CNC1=O T13629 [0,0,0,1,0,0|2,0,0]=3 41 B7R0.16 CC(C(O)=O)C(O)=O T4817 [0,0,0,0,1,0|2,0,0]=3 42 B7R0.16 NC(C(O)=O)C(O)=O T5244 [0,0,0,0,1,0|3,0,0]=4 43 B9R0.7 CC(=O)OC[C@H](N)C(O)=O T4722 [0,0,0,0,0,1|2,0,0]=3 44 B9R0.7 CC(=O)OC[C@H](N)C(O)=O T8095 [0,0,0,0,0,1|2,0,0]=3 45 B9R0.7 CC(CCC(O)=O)C(O)=O T5063 [0,0,0,0,0,1|3,0,0]=4 46 B9R0.7 CC(CCC(O)=O)C(O)=O T5260 [0,0,0,0,0,1|3,0,0]=4 47 B9R0.53 CC(CC(O)=O)CC(O)=O T4766 [0,0,0,0,0,1|3,0,0]=4 48 B6R0.2 CC(C)CC(N)=O T0361 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.2 CC(C)CC(O)=O T5609 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.2 CC(C)OC([S-])=S T20111 [2,0,0,0,0,0|1,1,0]=4 51 B6R0.4 CCOCC(O)=O T37501 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.4 OC(=O)CNC=O T4741 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.3 C/C=C(/C)C(O)=O T3328 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.3 C/C=C(\C)C(O)=O T5542 [2,0,0,0,0,0|1,0,1]=4 55 B8R0.5 CCCC(C)OC(N)=O T32052 [1,1,0,0,0,0|1,0,1]=4 56 B8R0.19 CCC(C)CC(=O)CC TN3128 [1,1,0,0,0,0|1,0,1]=4 57 B8R0.9 CN(CCC(C)=O)N=O T33708 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.9 COC(=O)CCC(C)=O TN4548 [1,1,0,0,0,0|1,0,0]=3 59 B8R0.9 COC(C)COC(C)=O T20988 [1,1,0,0,0,0|0,0,2]=4 60 B8R0.9 NCC(=O)CCC(O)=O T14047 [1,1,0,0,0,0|2,0,0]=4 61 B8R0.9 NCC(=O)CCC(O)=O T1662 [1,1,0,0,0,0|2,0,0]=4 62 B8R0.9 NCC(=O)NCC(O)=O T5286 [1,1,0,0,0,0|2,0,0]=4 63 B8R0.18 CCC(C(O)=O)C(O)=O T5279 [0,1,0,0,1,0|2,0,0]=4 64 B8R0.37 CC(C)(C(O)=O)C(O)=O T19284 [0,1,0,0,1,0|2,0,0]=4 65 B10R0.31 CC(C[N+](C)(C)C)OC(C)=O T1682 [0,1,0,0,0,1|2,0,0]=4 66 B8R1.1 CCC1CCC(=O)O1 T8098 [1,0,0,1,0,0|0,0,1]=3 67 B8R1.1 COC1CCC(=O)N1 TN4855 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.18 CC1OC(C)=CC1=O T22309 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.5 CC1CCCCC1=O T36789 [1,0,0,1,0,0|1,0,1]=4 70 B10R1.59 CC(=O)c1cc(C)oc1C T20546 [0,0,0,1,0,1|1,0,1]=4 71 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 T12016 [0,1,0,1,0,0|1,0,0]=3 72 B10R1.64 CC(=O)NC1CCSC1=O T0316 [0,1,0,1,0,0|1,0,0]=3 73 B10R1.64 CC(NC1CCSC1=O)=O T6807 [0,1,0,1,0,0|1,0,0]=3 74 B10R1.118 C[C@H]1OC(=O)[C@@H](C)OC1=O T7933 [0,1,0,1,0,0|1,0,0]=3 75 B8R0.28 CC(=O)CC/C=C(/C)C TN6832 [1,0,0,0,0,1|2,0,0]=4 76 B8R0.28 CC(=O)NCCC(O)=O T1373 [1,0,0,0,0,1|2,0,0]=4