0 B8R1.50 N[C@@H]1CCN(O)C1=O T12637 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.50 N[C@H]1CCN(O)C1=O T23298 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.2 CC1=CCC(=O)O1 T7995 [1,0,0,0,0,0|1,0,2]=4 3 B7R1.2 O=C1CCC(=O)O1 T18723 [1,0,0,0,0,0|2,0,1]=4 4 B7R1.2 OC1CCC(=O)N1 TN3117 [1,0,0,0,0,0|2,0,0]=3 5 B7R1.4 C=C1CCOC1=O T5320 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.4 CC1OCCC1=O T8050 [1,0,0,0,0,0|1,0,1]=3 7 B7R1.4 CN1CCCC1=O T5851 [1,0,0,0,0,0|1,0,1]=3 8 B7R1.4 Cn1sccc1=O T19774 [1,0,0,0,0,0|2,0,1]=4 9 B7R1.4 Cn1sccc1=O T28029 [1,0,0,0,0,0|2,0,1]=4 10 B7R1.4 NC1CCSC1=O T5968 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.4 N[C@@H]1CONC1=O T1589 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.4 N[C@H]1CCSC1=O T19393 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.4 [C@H]1(N)CONC1=O T0710 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.37 CC1OC(=O)C(O)=C1C TN7031 [0,1,0,0,0,0|1,0,2]=4 15 B9R1.37 CC1OC(C)=C(O)C1=O T5547 [0,1,0,0,0,0|1,0,2]=4 16 B9R1.138 CC1(C)COC(=O)C1=O T20466 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.138 CC1(C)COC(=O)[C@@H]1O T4828 [0,1,0,0,0,0|1,0,2]=4 18 B7R0.3 COC(=O)CCCN T22364 [0,0,1,0,0,0|3,0,0]=4 19 B7R0.10 CCC(O)C(=O)CC T20376 [0,0,1,0,0,0|0,0,2]=3 20 B7R0.10 [Li]OC(=O)C(=O)CO T19364 [0,0,1,0,0,0|3,0,0]=4 21 B7R0.16 CC(C)C(=O)C(O)=O T5232 [0,0,1,0,0,0|1,0,0]=2 22 B7R0.16 CC(C)C(O)C(O)=O T5273 [0,0,1,0,0,0|1,0,2]=4 23 B7R0.16 CC(C)[C@H](C(O)=O)N T9298 [0,0,1,0,0,0|2,0,1]=4 24 B7R0.16 CC(C)[C@H](N)C(O)=O T2O2776 [0,0,1,0,0,0|2,0,1]=4 25 B7R0.16 NC(C(C)C)C(O)=O T9294 [0,0,1,0,0,0|2,0,1]=4 26 B7R1.15 [O-]c1cc(=O)c1=O T13777 [0,0,0,0,1,0|1,0,2]=4 27 B9R1.3 OC1CCNC(=O)C1Cl TMA0098 [0,0,0,0,0,1|2,0,1]=4 28 B9R1.69 CC1CNC(=O)NC1=O T0532 [0,0,0,0,0,1|1,0,0]=2 29 B9R1.69 Cc1c[nH]c(=O)[nH]c1=O TWO2759 [0,0,0,0,0,1|1,0,2]=4 30 B9R1.69 Cc1n[nH]c(=O)[nH]c1=O T8648 [0,0,0,0,0,1|2,0,1]=4 31 B6R0.4 CC(C)CCC=O T20931 [1,0,1,0,0,0|0,0,1]=3 32 B6R0.4 CCOCC(O)=O T37501 [1,0,1,0,0,0|1,0,1]=4 33 B6R0.4 COCCC(O)=O T20899 [1,0,1,0,0,0|1,0,1]=4 34 B6R0.4 CSCCC(O)=O T5285 [1,0,1,0,0,0|1,0,1]=4 35 B6R0.4 NCCCC(O)=O T0508 [1,0,1,0,0,0|1,0,1]=4 36 B6R0.6 CCC/C=C/C=O T8099 [1,0,1,0,0,0|0,0,1]=3 37 B6R0.3 CC(CN)C(O)=O T4887 [1,0,1,0,0,0|1,0,1]=4 38 B6R0.3 CC(CO)C(O)=O T19619 [1,0,1,0,0,0|1,0,1]=4 39 B6R0.3 CC(CO)C([O-])=O T29401 [1,0,1,0,0,0|1,0,1]=4 40 B6R0.3 CCC(=O)C(O)=O T5060 [1,0,1,0,0,0|1,0,0]=3 41 B6R0.3 CCC(N)C(O)=O TN6936 [1,0,1,0,0,0|1,0,1]=4 42 B6R0.3 CCC(O)C([O-])=O T4738 [1,0,1,0,0,0|1,0,1]=4 43 B6R0.3 CC[C@@H](N)C(O)=O T19302 [1,0,1,0,0,0|1,0,1]=4 44 B6R0.3 CC[C@H](N)C(O)=O T5306 [1,0,1,0,0,0|1,0,1]=4 45 B6R0.3 C[C@@H](CN)C(O)=O T7357 [1,0,1,0,0,0|1,0,1]=4 46 B6R0.3 C[C@@H](CN)C(O)=O T7401 [1,0,1,0,0,0|1,0,1]=4 47 B6R0.3 O=C(O)[C@H](C)CO T19617 [1,0,1,0,0,0|1,0,1]=4 48 B6R0.3 OC(=O)C(=O)CBr T5882 [1,0,1,0,0,0|2,0,0]=4 49 B6R0.3 OCC(=O)C(O)=O T19365 [1,0,1,0,0,0|2,0,0]=4 50 B6R0.2 CC(C)=CC(O)=O T5305 [1,0,1,0,0,0|1,0,1]=4 51 B6R0.2 CC(C)CC(N)=O T0361 [1,0,1,0,0,0|1,0,1]=4 52 B6R0.2 CC(C)CC(O)=O T5609 [1,0,1,0,0,0|1,0,1]=4 53 B6R1.2 N=C1CCCS1 T19958 [2,0,0,0,0,0|2,0,0]=4 54 B6R1.2 O=C1CCSC1 T37630 [2,0,0,0,0,0|1,0,1]=4 55 B6R1.2 O=C1NCCN1 T0630 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.8 CCCCC(C)C(O)=O T8080 [0,1,1,0,0,0|1,0,1]=4 57 B8R0.8 CCCCC(O)C(O)=O T5224 [0,1,1,0,0,0|0,0,2]=4 58 B8R0.8 CCCC[C@H](N)C(O)=O T4765 [0,1,1,0,0,0|1,0,1]=4 59 B8R0.8 CCCOC(=O)C(C)=C T20387 [0,1,1,0,0,0|2,0,0]=4 60 B8R0.8 CSCCC(=O)C([O-])=O T33519 [0,1,1,0,0,0|1,0,0]=3 61 B8R0.9 CN(CCC(C)=O)N=O T33708 [0,1,1,0,0,0|2,0,0]=4 62 B8R0.9 NC(CCC(O)=O)C=C T0128 [0,1,1,0,0,0|2,0,0]=4 63 B8R0.9 NC(CCC(O)=O)C=C T0128L [0,1,1,0,0,0|2,0,0]=4 64 B8R0.19 CCC(C)CC(=O)CC TN3128 [0,1,1,0,0,0|1,0,1]=4 65 B8R0.2 C(=O)([C@@H](N)[C@H](CC)C)O T0063 [0,1,1,0,0,0|1,0,1]=4 66 B8R0.2 CCC(C)C(=O)C(O)=O T8264 [0,1,1,0,0,0|0,0,0]=2 67 B8R0.2 CC[C@@H](C)[C@H](C(O)=O)N T9143 [0,1,1,0,0,0|1,0,1]=4 68 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O T5219 [0,1,1,0,0,0|1,0,1]=4 69 B8R0.2 CC[C@H](C)[C@H](N)C(O)=O T30575 [0,1,1,0,0,0|1,0,1]=4 70 B8R1.1 CCC1CCC(=O)O1 T8098 [1,1,0,0,0,0|1,0,0]=3 71 B8R1.1 COC1CCC(=O)N1 TN4855 [1,1,0,0,0,0|1,0,0]=3 72 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [1,1,0,0,0,0|0,0,1]=3 73 B8R1.18 CC1OC(C)=CC1=O T22309 [1,1,0,0,0,0|1,0,1]=4 74 B8R1.11 C=CN1CCCC1=O T13823 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.19 CC1(C)CCC=[N+]1[O-] T22739 [1,1,0,0,0,0|1,0,1]=4 76 B8R1.5 CC1CCCCC1=O T36789 [0,0,1,1,0,0|1,0,1]=4 77 B8R1.22 O=C1CCCCCN1 T20386 [0,0,1,1,0,0|2,0,0]=4 78 B8R1.22 O=C1NCCCCC1 T20195 [0,0,1,1,0,0|2,0,0]=4 79 B8R1.22 O=C1NCCCCC1 T32363 [0,0,1,1,0,0|2,0,0]=4 80 B8R0.23 CC(C)CC(=O)C(O)=O T5071 [0,0,1,0,0,1|1,0,0]=3 81 B8R1.4 CC1CC=CC(=O)O1 TN3177 [1,0,0,0,0,1|1,0,1]=4 82 B8R1.4 CC1CCN=C(N)C1 T21700 [1,0,0,0,0,1|1,0,1]=4 83 B8R1.4 C[C@@H]1CCN=C(N)S1 T22569 [1,0,0,0,0,1|2,0,0]=4