0 B8R1.50 N[C@H]1CCN(O)C1=O T23298 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.4 C=C1CCOC1=O T5320 [1,0,0,0,0,0|2,0,0]=3 2 B7R1.4 NC1CCSC1=O T5968 [1,0,0,0,0,0|2,0,0]=3 3 B7R1.4 N[C@@H]1CONC1=O T1589 [1,0,0,0,0,0|3,0,0]=4 4 B7R1.4 N[C@H]1CCSC1=O T19393 [1,0,0,0,0,0|2,0,0]=3 5 B7R1.4 N[C@H]1CONC1=O T0710 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.37 CC1=C(O)C(=O)C(C)O1 T5547 [0,1,0,0,0,0|1,0,2]=4 7 B9R1.138 CC1(C)COC(=O)[C@@H]1O T4828 [0,1,0,0,0,0|1,0,2]=4 8 B7R0.3 COC(=O)CCCN T22364 [0,0,1,0,0,0|3,0,0]=4 9 B7R0.16 CC(C)C(=O)C(=O)O T5232 [0,0,1,0,0,0|1,0,0]=2 10 B7R0.16 CC(C)C(O)C(=O)O T5273 [0,0,1,0,0,0|1,0,2]=4 11 B7R0.16 CC(C)[C@H](N)C(=O)O T2O2776 [0,0,1,0,0,0|2,0,1]=4 12 B7R1.15 O=C1C=C([O-])C1=O T13777 [0,0,0,0,1,0|1,0,2]=4 13 B9R1.69 CC1=CNC(=O)NC1=O TWO2759 [0,0,0,0,0,1|1,0,2]=4 14 B9R1.69 CC1CNC(=O)NC1=O T0532 [0,0,0,0,0,1|1,0,0]=2 15 B6R0.4 CSCCC(=O)O T5285 [1,0,1,0,0,0|1,0,1]=4 16 B6R0.4 NCCCC(=O)O T0508 [1,0,1,0,0,0|1,0,1]=4 17 B6R0.3 CC(CN)C(=O)O T4887 [1,0,1,0,0,0|1,0,1]=4 18 B6R0.3 CC(CO)C(=O)O T19619 [1,0,1,0,0,0|1,0,1]=4 19 B6R0.3 CCC(=O)C(=O)O T5060 [1,0,1,0,0,0|1,0,0]=3 20 B6R0.3 CCC(O)C(=O)[O-] T4738 [1,0,1,0,0,0|1,0,1]=4 21 B6R0.3 CC[C@@H](N)C(=O)O T19302 [1,0,1,0,0,0|1,0,1]=4 22 B6R0.3 CC[C@H](N)C(=O)O T5306 [1,0,1,0,0,0|1,0,1]=4 23 B6R0.3 C[C@@H](CN)C(=O)O T7357 [1,0,1,0,0,0|1,0,1]=4 24 B6R0.3 O=C(O)C(=O)CBr T5882 [1,0,1,0,0,0|2,0,0]=4 25 B6R0.2 CC(C)=CC(=O)O T5305 [1,0,1,0,0,0|1,0,1]=4 26 B6R0.2 CC(C)CC(=O)O T5609 [1,0,1,0,0,0|1,0,1]=4 27 B6R0.2 CC(C)CC(N)=O T0361 [1,0,1,0,0,0|1,0,1]=4 28 B6R1.2 O=C1NCCN1 T0630 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.8 CCCCC(O)C(=O)O T5224 [0,1,1,0,0,0|0,0,2]=4 30 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [0,1,1,0,0,0|1,0,1]=4 31 B8R0.9 C=CC(N)CCC(=O)O T0128 [0,1,1,0,0,0|2,0,0]=4 32 B8R0.2 CCC(C)C(=O)C(=O)O T8264 [0,1,1,0,0,0|0,0,0]=2 33 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O T5219 [0,1,1,0,0,0|1,0,1]=4 34 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O T0063 [0,1,1,0,0,0|1,0,1]=4 35 B8R1.18 CC1=CC(=O)C(C)O1 T22309 [1,1,0,0,0,0|1,0,1]=4 36 B8R1.11 CCN1CCCC1=O T13823 [1,1,0,0,0,0|1,0,1]=4 37 B8R1.19 CC1(C)CCC=[N+]1[O-] T22739 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [0,0,1,0,0,1|1,0,0]=3 39 B8R1.4 C[C@@H]1CCN=C(N)S1 T22569 [1,0,0,0,0,1|2,0,0]=4