0 B7R1.4 C=C1CCOC1=O T5320 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.4 NC1CCSC1=O T5968 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.4 N[C@@H]1CONC1=O T1589 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.4 N[C@H]1CCSC1=O T19393 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.4 N[C@H]1CONC1=O T0710 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 O=C1NCCN1 T0630 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.11 CCN1CCCC1=O T13823 [0,1,0,0,0,0|2,0,0]=3 7 B8R1.18 CC1=CC(=O)C(C)O1 T22309 [0,1,0,0,0,0|0,0,2]=3 8 B8R1.50 N[C@H]1CCN(O)C1=O T23298 [0,1,0,0,0,0|3,0,0]=4 9 B6R0.1 COC(=O)CCN T8097 [0,0,1,0,0,0|2,0,0]=3 10 B6R0.3 CC(=O)\C(C)=N\O T2176 [0,0,1,0,0,0|2,0,1]=4 11 B6R0.3 CC(CN)C(=O)O T4887 [0,0,1,0,0,0|3,0,0]=4 12 B6R0.3 CC(CO)C(=O)O T19619 [0,0,1,0,0,0|3,0,0]=4 13 B6R0.3 CCC(=O)C(=O)O T5060 [0,0,1,0,0,0|1,0,1]=3 14 B6R0.3 CCC(O)C(=O)[O-] T4738 [0,0,1,0,0,0|3,0,0]=4 15 B6R0.3 CC[C@@H](N)C(=O)O T19302 [0,0,1,0,0,0|3,0,0]=4 16 B6R0.3 CC[C@H](N)C(=O)O T5306 [0,0,1,0,0,0|3,0,0]=4 17 B6R0.3 C[C@@H](CN)C(=O)O T7357 [0,0,1,0,0,0|3,0,0]=4 18 B6R0.3 C\C=C(/C)C(=O)O T5542 [0,0,1,0,0,0|2,0,1]=4 19 B6R0.3 C\C=C(\C)C(=O)O T3328 [0,0,1,0,0,0|2,0,1]=4 20 B6R0.3 O=C(O)C(=O)CBr T5882 [0,0,1,0,0,0|2,0,1]=4 21 B8R1.4 CC1CCCC(C)N1 T1007 [0,0,0,0,0,1|2,0,1]=4 22 B8R1.4 C[C@@H]1CCN=C(N)S1 T22569 [0,0,0,0,0,1|3,0,0]=4 23 B8R1.4 O=C1CCNC(=O)N1 T4886 [0,0,0,0,0,1|2,0,1]=4 24 B5R0.1 CC(C)=CCO T4747 [1,0,1,0,0,0|1,0,1]=4 25 B5R0.1 CCCC(=O)[O-] T1393 [1,0,1,0,0,0|2,0,0]=4 26 B5R0.1 CCOC(N)=O T0051 [1,0,1,0,0,0|1,0,1]=4 27 B5R0.1 CNCC(=O)O T6975 [1,0,1,0,0,0|2,0,0]=4 28 B5R0.1 C[C@@H](O)CCO T19538 [1,0,1,0,0,0|0,0,2]=4 29 B5R0.1 NCCC(=O)O T0627 [1,0,1,0,0,0|2,0,0]=4 30 B5R0.1 NOCC(=O)O T5880 [1,0,1,0,0,0|2,0,0]=4 31 B5R0.3 CCC(C)C=O T5090 [1,0,1,0,0,0|0,0,0]=2 32 B5R0.3 O=CC(O)CO T4918 [1,0,1,0,0,0|2,0,0]=4 33 B5R0.5 CC(=O)C(=O)O T4804 [1,0,1,0,0,0|1,0,1]=4 34 B5R0.5 C[C@@H](N)C(=O)O T4811 [1,0,1,0,0,0|2,0,0]=4 35 B5R0.5 C[C@@H](O)C(=O)O T10943 [1,0,1,0,0,0|1,0,0]=3 36 B5R0.5 C[C@@H](O)C(=O)[O-] T5220 [1,0,1,0,0,0|1,0,0]=3 37 B5R0.5 C[C@@H](O)[C@@H](C)O T4751 [1,0,1,0,0,0|0,0,2]=4 38 B5R0.5 C[C@H](N)C(=O)O TJO2729 [1,0,1,0,0,0|2,0,0]=4 39 B5R0.5 C[C@H](N)C(=O)O TN1003 [1,0,1,0,0,0|2,0,0]=4 40 B5R0.5 C[C@H](O)C(=O)O T4845 [1,0,1,0,0,0|1,0,0]=3 41 B5R0.5 C[C@H](O)C(=O)[O-] T4103 [1,0,1,0,0,0|1,0,0]=3 42 B7R0.3 COC(=O)CCCN T22364 [0,1,1,0,0,0|2,0,0]=4 43 B7R0.5 CCCC(C)C(=O)O T5685 [0,1,1,0,0,0|1,0,0]=3 44 B7R0.5 CCCC(N)C(=O)O T11054 [0,1,1,0,0,0|2,0,0]=4 45 B7R0.5 CCC[C@H](N)C(=O)O T4788 [0,1,1,0,0,0|2,0,0]=4 46 B7R0.10 COC(=O)[C@@H](N)CS T1547 [0,1,1,0,0,0|1,1,0]=4 47 B7R0.13 CCC(C)(O)C(=O)O T5550 [0,1,1,0,0,0|2,0,0]=4 48 B7R0.16 CC(C)C(=O)C(=O)O T5232 [0,1,1,0,0,0|1,0,1]=4 49 B7R0.4 NCCCCC(=O)O T5089 [0,1,1,0,0,0|2,0,0]=4 50 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,1,0,0,0,1|2,0,0]=4 51 B9R1.37 CC1=C(O)C(=O)C(C)O1 T5547 [0,2,0,0,0,0|0,0,2]=4 52 B9R1.38 CC1(C)OC(=O)NC1=O T1234 [0,2,0,0,0,0|1,0,1]=4 53 B7R1.3 O=C1CCCCO1 T4821 [0,0,1,1,0,0|2,0,0]=4 54 B7R1.18 O=C(O)C1CCN1 T8100 [0,0,1,1,0,0|2,0,0]=4