0 B7R0.6 CC(=O)CCC(=O)O T5551 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 CC(=O)NCC(=O)O T4822 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 N=C(N)NCC(=O)O T4238 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 NC(=O)\C=C/C(=O)O T4905 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.6 O=C(O)CCC(=O)O T2719 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.6 O=C(O)CC[N+](=O)[O-] T3009 [0,0,0,0,0,0|1,0,3]=4 6 B7R0.6 O=C(O)\C=C/C(=O)O T4913 [0,0,0,0,0,0|0,0,0]=0 7 B7R0.6 O=C(O)\C=C\C(=O)O T2769 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.6 O=C(O)\C=C\C(=O)O T3763 [0,0,0,0,0,0|0,0,0]=0 9 B7R0.6 O=C([O-])CCC(=O)[O-] T8073 [0,0,0,0,0,0|0,0,4]=4 10 B7R0.6 O=C([O-])\C=C\C(=O)[O-] T0001 [0,0,0,0,0,0|0,0,2]=2 11 B6R0.4 NC\C=C\C(=O)O T23414 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.4 O=C(O)\C=C\CO T23473 [1,0,0,0,0,0|0,0,1]=2 13 B6R0.4 O=CNCC(=O)O T4741 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.9 NCC(=O)CCC(=O)O T1662 [0,1,0,0,0,0|1,0,2]=4 15 B8R0.9 NCC(=O)NCC(=O)O T5286 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.23 C=C(CC(=O)O)C(=O)O T4837 [0,1,0,0,0,0|0,0,1]=2 17 B8R0.23 CC(=O)N[C@@H](C)C(=O)O T4839 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.23 CC(CC(=O)O)C(=O)O T5231 [0,1,0,0,0,0|0,0,2]=3 19 B8R0.23 C\C(=C/C(=O)O)C(=O)O T20880 [0,1,0,0,0,0|0,0,0]=1 20 B8R0.23 C\C(=C\C(=O)O)C(=O)O T4525 [0,1,0,0,0,0|0,0,0]=1 21 B8R0.23 NC(=O)C[C@H](N)C(=O)O T2O2774 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.23 NC(=O)C[C@H](N)C(=O)O T8392 [0,1,0,0,0,0|1,0,2]=4 23 B8R0.23 N[C@@H](CC(=O)O)C(=O)O T2O2731 [0,1,0,0,0,0|0,0,2]=3 24 B8R0.23 N[C@H](CC(=O)O)C(=O)O T4885 [0,1,0,0,0,0|0,0,2]=3 25 B8R0.23 O=C(O)CC(=O)C(=O)O T4862 [0,1,0,0,0,0|0,0,1]=2 26 B8R0.23 O=C(O)CC(O)C(=O)O T2S0850 [0,1,0,0,0,0|0,0,2]=3 27 B8R0.23 O=C(O)C[C@H](O)C(=O)O T4838 [0,1,0,0,0,0|0,0,2]=3 28 B6R0.2 CC(=O)CC(=O)[O-] T4854 [0,0,0,0,1,0|1,0,2]=4 29 B6R0.2 CC(C)=CC(=O)O T5305 [0,0,0,0,1,0|2,0,0]=3 30 B6R0.2 CC(O)CC(=O)O T4947 [0,0,0,0,1,0|1,0,2]=4 31 B6R0.2 C[C@@H](O)CC(=O)O T5248 [0,0,0,0,1,0|1,0,2]=4 32 B6R0.2 C[C@H](O)CC(=O)O T13979 [0,0,0,0,1,0|1,0,2]=4 33 B6R0.2 O=C(O)CC(=O)O T5291 [0,0,0,0,1,0|0,0,1]=2 34 B8R0.28 C(SC(=N)N)=CC(=O)O T23556 [0,0,0,0,0,1|2,0,0]=3 35 B8R0.28 CC(=O)NCCC(=O)O T1373 [0,0,0,0,0,1|1,0,2]=4 36 B8R0.28 NC(=O)NCCC(=O)O T4919 [0,0,0,0,0,1|1,0,2]=4 37 B8R0.28 O=C(O)CCCC(=O)O T4794 [0,0,0,0,0,1|0,0,2]=3 38 B5R0.1 C\C=C\C(=O)O T5301 [2,0,0,0,0,0|0,0,1]=3 39 B7R0.4 C\C=C\C=C\C(=O)O T8019 [1,1,0,0,0,0|1,0,0]=3 40 B7R0.4 C\C=C\C=C\C(=O)[O-] T4807 [1,1,0,0,0,0|1,0,1]=4 41 B7R0.9 O=C(O)CP(=O)(O)O T4729 [0,1,0,0,1,0|1,0,1]=4 42 B7R0.16 CC(C(=O)O)C(=O)O T4817 [0,1,0,0,1,0|0,0,1]=3 43 B7R0.16 NC(C(=O)O)C(=O)O T5244 [0,1,0,0,1,0|0,0,1]=3 44 B9R0.1 COC(=O)CCCC(=O)O T4764 [0,1,0,0,0,1|0,0,2]=4 45 B9R0.7 CC(CCC(=O)O)C(=O)O T5063 [0,1,0,0,0,1|0,0,2]=4 46 B9R0.7 CC(CCC(=O)O)C(=O)O T5260 [0,1,0,0,0,1|0,0,2]=4 47 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O T2A2497 [0,1,0,0,0,1|0,0,2]=4 48 B9R0.7 N[C@H](CCC(=O)O)C(=O)O T10935 [0,1,0,0,0,1|0,0,2]=4 49 B9R0.7 O=C(O)CCC(=O)C(=O)O T5980 [0,1,0,0,0,1|0,0,1]=3 50 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] T4920 [0,1,0,0,0,1|0,0,2]=4 51 B9R0.53 CC(CC(=O)O)CC(=O)O T4766 [0,1,0,0,0,1|0,0,2]=4 52 B9R0.53 O=C(O)CC(=O)CC(=O)O T5614 [0,1,0,0,0,1|0,0,1]=3 53 B9R0.53 O=C(O)CC(O)CC(=O)O TQ0024 [0,1,0,0,0,1|0,0,2]=4 54 B9R0.24 COC(=O)CCC(=O)OC T5696 [0,2,0,0,0,0|0,0,2]=4 55 B9R0.24 COC(=O)\C=C\C(=O)OC T0492 [0,2,0,0,0,0|0,0,0]=2 56 B9R0.42 OCC(=O)OC(C)C(=O)O T19521 [0,2,0,0,0,0|1,0,1]=4 57 B9R0.39 CN[C@H](CC(=O)O)C(=O)O T6608 [0,2,0,0,0,0|0,0,2]=4 58 B9R0.57 C=C(OP(=O)(O)O)C(=O)O T12451 [0,2,0,0,0,0|2,0,0]=4 59 B9R0.57 C=C(OP(=O)([O-])O)C(=O)O T4898 [0,2,0,0,0,0|2,0,0]=4 60 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O T22916 [0,2,0,0,0,0|0,0,2]=4 61 B9R0.79 O=C(O)C(O)C(O)C(=O)O T5803 [0,2,0,0,0,0|0,0,2]=4 62 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O T5062 [0,2,0,0,0,0|0,0,2]=4 63 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O T19182 [0,2,0,0,0,0|0,0,2]=4 64 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O T4906 [0,2,0,0,0,0|0,0,2]=4 65 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O T5059 [0,2,0,0,0,0|0,0,2]=4 66 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O TN1595 [0,2,0,0,0,0|0,0,2]=4 67 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O T2552 [0,2,0,0,0,0|0,0,2]=4 68 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O T4931 [0,2,0,0,0,0|0,0,0]=2 69 B7R1.2 O=C1C=CC(=O)N1 T4820 [1,0,0,1,0,0|1,0,0]=3 70 B9R1.1 COc1ccc(O)cc1 T0501 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [0,1,0,1,0,0|2,0,0]=4 73 B5R0.5 CC(=O)C(=O)O T4804 [0,0,0,0,2,0|1,0,0]=3 74 B5R0.5 CC(=O)C(=O)[O-] T7717 [0,0,0,0,2,0|1,0,1]=4 75 B5R0.5 C[C@@H](O)C(=O)O T10943 [0,0,0,0,2,0|1,0,1]=4 76 B5R0.5 C[C@H](O)C(=O)O T4845 [0,0,0,0,2,0|1,0,1]=4 77 B5R0.5 O=C(O)C(=O)O T2O2680 [0,0,0,0,2,0|0,0,0]=2 78 B5R0.5 O=C(O)C(=O)O T5064 [0,0,0,0,2,0|0,0,0]=2 79 B9R0.55 O=C(O)CCCCC(=O)O T2228 [0,0,0,0,0,2|0,0,2]=4 80 B9R0.55 O=C(O)CCCCC(=O)O T7146 [0,0,0,0,0,2|0,0,2]=4 81 B9R0.55 O=C(O)C\C=C\CC(=O)O T5246 [0,0,0,0,0,2|0,0,0]=2 82 B9R0.55 O=C(O)\C=C/C=C/C(=O)O T5588 [0,0,0,0,0,2|0,0,0]=2 83 B9R0.55 O=C(O)\C=C\C=C\C(=O)O T7154 [0,0,0,0,0,2|0,0,0]=2