0 B6R0.5 NCCP(O)(O)=O T4703 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.5 NCCS(O)(=O)=O T0022 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.5 OCCS(O)(=O)=O T20854 [0,0,0,0,0,0|0,1,0]=1 3 B6R0.5 OCCS([O-])(=O)=O T5303 [0,0,0,0,0,0|0,1,1]=2 4 B6R0.5 [O-]S(=O)(=O)CCS T1414 [0,0,0,0,0,0|0,0,1]=1 5 B5R0.1 CCCC([O-])=O T1393 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CNCC(O)=O T6975 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 C[C@@H](CCO)O T9257 [1,0,0,0,0,0|2,1,0]=4 8 B5R0.1 C[C@@H](O)CCO T19538 [1,0,0,0,0,0|2,1,0]=4 9 B5R0.1 NCCC(O)=O T0627 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 NCCP(O)=O TN2749 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 NCCS(O)=O T5225 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.1 NOCC(O)=O T29033 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 NOCC(O)=O T5880 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.4 [O-]S(=O)(=O)CI T33322 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.8 CP(O)(=O)CCCN T23368 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.8 CS(=O)(=O)CCC#N T15052 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.8 CS(=O)(=O)SCCN T19437 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.8 NCCCP(O)(O)=O T38205 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.8 NCCCS(O)(=O)=O T0883 [0,1,0,0,0,0|1,0,0]=2 20 B7R0.8 NCCOP(O)(O)=O T4881 [0,1,0,0,0,0|2,0,1]=4 21 B7R1.14 O=[S]1(=O)CCCN1 T8615 [0,0,0,1,0,0|2,0,0]=3 22 B4R0.1 NCC(O)=O T2O2728 [2,0,0,0,0,0|2,0,0]=4 23 B4R0.1 OCC(O)=O T5985 [2,0,0,0,0,0|1,1,0]=4 24 B4R0.1 [O-]C(=O)CS T8530 [2,0,0,0,0,0|1,0,1]=4 25 B4R0.2 OCCCO T40585 [2,0,0,0,0,0|1,1,0]=4 26 B4R0.3 CS(C)(=O)=O TN6752 [2,0,0,0,0,0|1,0,0]=3 27 B4R0.3 C[As](O)(O)=O T33347 [2,0,0,0,0,0|1,0,1]=4 28 B4R0.3 C[As](O)([O-])=O T19915 [2,0,0,0,0,0|1,0,1]=4 29 B4R0.3 NS(N)(=O)=O T35357 [2,0,0,0,0,0|2,0,0]=4 30 B4R0.3 [O-]S([O-])(=O)=O T19608 [2,0,0,0,0,0|0,1,1]=4 31 B4R0.3 [O-]S([O-])(=O)=O T20627 [2,0,0,0,0,0|0,1,1]=4 32 B4R0.3 [O-]S([O-])(=O)=O T29885 [2,0,0,0,0,0|0,1,1]=4 33 B6R0.1 COC(=O)CCN T8097 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.2 CC(C)CC(O)=O T5609 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.2 CC(CC(O)=O)N TN6756 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.2 CC(O)CC(O)=O T4947 [1,1,0,0,0,0|1,1,0]=4 37 B6R0.2 C[C@@H](O)CC(O)=O T5248 [1,1,0,0,0,0|1,1,0]=4 38 B6R0.2 C[C@H](O)CC(O)=O T13979 [1,1,0,0,0,0|1,1,0]=4 39 B6R0.3 CC(CN)C(O)=O T4887 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.3 CC(CO)C(O)=O T19619 [1,1,0,0,0,0|1,1,0]=4 41 B6R0.3 CCC(N)C(O)=O TN6936 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.3 CC[C@@H](N)C(O)=O T19302 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.3 CC[C@H](N)C(O)=O T5306 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.3 C[C@@H](CN)C(O)=O T7357 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.3 C[C@@H](CN)C(O)=O T7401 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.3 NC(CO)C(O)=O T8363 [1,1,0,0,0,0|1,1,0]=4 47 B6R0.3 NC(CS)C(=O)O T8141 [1,1,0,0,0,0|1,0,0]=3 48 B6R0.3 NCC(N)C(O)=O T4755 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.3 NC[C@H](N)C(O)=O T5978 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.3 NC[C@H](N)C(O)=O T7335 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.3 N[C@@H](CCl)C(O)=O T6987 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.3 N[C@@H](CO)C(O)=O T2O2730 [1,1,0,0,0,0|1,1,0]=4 53 B6R0.3 N[C@@H](CO)[13C](O)=O T32902 [1,1,0,0,0,0|1,1,0]=4 54 B6R0.3 N[C@@H](CS)C(O)=O T1547L [1,1,0,0,0,0|1,0,0]=3 55 B6R0.3 N[C@@H](CS)C(O)=O T2O2721 [1,1,0,0,0,0|1,0,0]=3 56 B6R0.3 N[C@@H](CS)C(O)=O TN5283 [1,1,0,0,0,0|1,0,0]=3 57 B6R0.3 N[C@@H](C[SeH])C(O)=O T9427 [1,1,0,0,0,0|1,1,0]=4 58 B6R0.3 N[C@H](CO)C(O)=O T8394 [1,1,0,0,0,0|1,1,0]=4 59 B6R0.3 N[C@H](CS)C(O)=O T10933 [1,1,0,0,0,0|1,0,0]=3 60 B6R0.3 O=C(O)[C@H](C)CO T19617 [1,1,0,0,0,0|1,1,0]=4 61 B6R0.3 OCC(O)C(O)=O T19289 [1,1,0,0,0,0|1,1,0]=4 62 B6R0.4 CCOCC(O)=O T37501 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.4 COCCC(O)=O T20899 [1,1,0,0,0,0|1,1,0]=4 64 B6R0.4 CSCCC(O)=O T5285 [1,1,0,0,0,0|1,0,0]=3 65 B6R0.4 NCCCC(O)=O T0508 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.4 OC(=O)CCC#C T0580 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.4 OC(=O)CCC=C T8032 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.7 CN(C)S(Cl)(=O)=O T0661 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.30 CCCS(=O)(=O)CCC T31522 [0,2,0,0,0,0|2,0,0]=4 70 B6R1.2 O=C1CCSC1 T37630 [1,0,0,1,0,0|2,0,0]=4