0 B6R0.5 C#CCS(=O)(=O)[O-] DY822768 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.5 CC(C)(O)CCBr NO15788 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.5 CCCS(=O)(=O)Cl DY20992 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.5 CCCS(=O)(=O)[O-] DY32074 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.5 NCCS(N)(=O)=O DY798819 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.5 O=S(=O)(Cl)CCCl DY822174 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.5 O=S(=O)(Cl)OCCl DY20939 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.5 O=S(=O)(O)CCO DY504969 [0,0,0,0,0,0|0,1,0]=1 8 B5R0.1 CCCB(O)O NO14802 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CCCC(=O)[O-] DY822775 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 CCCC(C)=O NO21731 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 CCCC(C)O DY741013 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 CNCC(=O)O NO18595 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 COCC(=O)O NO11579 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 CSCC(=O)O DY543879 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 NCCC(=O)O NO13499 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 O=C(O)OCCl DY523719 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.4 CCP(=O)(O)O DY566847 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.4 CNS(=O)(=O)Cl DY584550 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.4 CNS(C)(=O)=O NO17859 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.4 O=S(=O)([O-])O[O-] DY428310 [1,0,0,0,0,0|1,1,1]=4 21 B7R0.8 C=CCCS(=O)(=O)[O-] DY562665 [0,1,0,0,0,0|1,0,1]=3 22 B7R0.8 CCCOS(=O)(=O)O DY798855 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.8 NCCCP(=O)(O)O NO22520 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.8 NCCCS(N)(=O)=O DY569925 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.9 C=C(C)CS(=O)(=O)[O-] DY527535 [0,1,0,0,0,0|1,0,2]=4 26 B7R1.14 O=S1(=O)C=CCO1 NO13255 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.16 NC1CS(=O)(=O)C1 DY577347 [0,0,0,1,0,0|2,0,0]=3 28 B7R1.16 O=C1CS(=O)(=O)C1 DY528333 [0,0,0,1,0,0|1,1,1]=4 29 B7R1.16 O=S1(=O)C=C(Cl)C1 DY798861 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.26 NS(=O)(=O)C1CC1 NO13753 [0,0,0,1,0,0|2,0,0]=3 31 B4R0.1 CCB(O)O NO13979 [2,0,0,0,0,0|1,0,1]=4 32 B4R0.1 CCC(N)=O NO11886 [2,0,0,0,0,0|2,0,0]=4 33 B4R0.1 NC(=O)CS DY570543 [2,0,0,0,0,0|2,0,0]=4 34 B4R0.1 NCC(=O)O NO19951 [2,0,0,0,0,0|2,0,0]=4 35 B4R0.1 O=C(O)CO NO19334 [2,0,0,0,0,0|1,1,0]=4 36 B4R0.1 O=C([O-])CS DY822459 [2,0,0,0,0,0|1,0,1]=4 37 B4R0.2 OCCCF DY822290 [2,0,0,0,0,0|2,0,0]=4 38 B4R0.2 SCCCS DY740347 [2,0,0,0,0,0|1,1,0]=4 39 B4R0.3 CS(=O)([O-])=S DY536553 [2,0,0,0,0,0|0,1,1]=4 40 B4R0.3 CS(N)(=O)=O NO19901 [2,0,0,0,0,0|1,0,0]=3 41 B4R0.3 O=I(=O)(=O)O DY20542 [2,0,0,0,0,0|1,1,0]=4 42 B4R0.3 O=S(=O)(O)O DY822857 [2,0,0,0,0,0|0,1,0]=3 43 B4R0.3 O=S(=O)(O)O NO11689 [2,0,0,0,0,0|0,1,0]=3 44 B4R0.3 O=S(=O)([O-])[O-] DY455380 [2,0,0,0,0,0|0,1,1]=4 45 B4R0.3 O=S(=O)([O-])[O-] DY513309 [2,0,0,0,0,0|0,1,1]=4 46 B4R0.3 O=S(=O)([O-])[O-] DY526575 [2,0,0,0,0,0|0,1,1]=4 47 B4R0.3 O=S(=O)([O-])[O-] DY569919 [2,0,0,0,0,0|0,1,1]=4 48 B4R0.3 O=S(=O)([O-])[O-] DY571587 [2,0,0,0,0,0|0,1,1]=4 49 B4R0.3 O=S(=O)([O-])[O-] DY571611 [2,0,0,0,0,0|0,1,1]=4 50 B4R0.3 O=S(=O)([O-])[O-] DY822553 [2,0,0,0,0,0|0,1,1]=4 51 B4R0.3 O=S(=O)([O-])[O-] DY822886 [2,0,0,0,0,0|0,1,1]=4 52 B4R0.3 O=S(=O)([O-])[O-] DY822903 [2,0,0,0,0,0|0,1,1]=4 53 B4R0.3 O=S(=O)([O-])[O-] DY822916 [2,0,0,0,0,0|0,1,1]=4 54 B4R0.3 O=S(=O)([O-])[O-] DY822954 [2,0,0,0,0,0|0,1,1]=4 55 B4R0.3 O=S(=O)([O-])[O-] DY822971 [2,0,0,0,0,0|0,1,1]=4 56 B6R0.1 COC(=O)CCCl DY741043 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.1 COC(=O)CCN NO22266 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.2 C[C@H](N)CC(=O)O NO20346 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.2 C[C@H](O)CC(=O)O DY426021 [1,1,0,0,0,0|1,1,0]=4 61 B6R0.3 CCC(N)C(=O)O NO14084 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.3 CCC(O)C(=O)O DY562593 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.3 CC[C@H](N)C(=O)O NO13661 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [1,1,0,0,0,0|1,1,0]=4 67 B6R0.3 NC(CO)C(=O)O NO18949 [1,1,0,0,0,0|1,1,0]=4 68 B6R0.3 NC(CS)C(=O)O NO19655 [1,1,0,0,0,0|1,0,0]=3 69 B6R0.3 NCC(N)C(=O)O DY702709 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.3 NCC(N)C(=O)O DY703093 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.3 NCC(N)C(=O)O NO19624 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.3 NC[C@@H](N)C(=O)O NO19672 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.3 NC[C@@H](O)C(=O)O NO20294 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.3 NC[C@H](N)C(=O)O NO14756 [1,1,0,0,0,0|2,0,0]=4 75 B6R0.3 N[C@@H](CCl)C(=O)O DY436850 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [1,1,0,0,0,0|1,1,0]=4 77 B6R0.3 N[C@@H](CS)C(=O)O DY436887 [1,1,0,0,0,0|1,0,0]=3 78 B6R0.3 N[C@@H](CS)C(=O)O DY529455 [1,1,0,0,0,0|1,0,0]=3 79 B6R0.3 N[C@@H](CS)C(=O)O NO19113 [1,1,0,0,0,0|1,0,0]=3 80 B6R0.3 N[C@@H](CS)S(=O)O DY538851 [1,1,0,0,0,0|0,0,1]=3 81 B6R0.3 N[C@H](CO)C(=O)O NO14731 [1,1,0,0,0,0|1,1,0]=4 82 B6R0.3 N[C@H](CS)C(=O)O DY439001 [1,1,0,0,0,0|1,0,0]=3 83 B6R0.3 N[C@H](CS)C(=O)O NO19417 [1,1,0,0,0,0|1,0,0]=3 84 B6R0.3 O=C(O)C(Br)CBr NO15215 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.3 O=C(O)C(Br)CF DY741307 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.3 O=C(O)C(O)CCl DY10790 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.3 O=C(O)[C@H](O)CS DY740539 [1,1,0,0,0,0|1,0,0]=3 88 B6R0.4 C#CCCC(=O)O DY428029 [1,1,0,0,0,0|2,0,0]=4 89 B6R0.4 C=CCCC(=O)O NO15216 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.4 CSCCC(C)=O DY740809 [1,1,0,0,0,0|2,0,0]=4 91 B6R0.4 N#CCCC(=O)O NO22262 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.4 NCCCC(=O)O NO14998 [1,1,0,0,0,0|2,0,0]=4 93 B6R0.4 NCCNC(=O)O DY822495 [1,1,0,0,0,0|2,0,0]=4 94 B6R0.4 O=C(O)CCCBr NO14053 [1,1,0,0,0,0|2,0,0]=4 95 B6R0.7 CC(C)S(=O)(=O)[O-] DY547479 [1,1,0,0,0,0|0,0,1]=3 96 B6R0.7 CC(C)S(C)(=O)=O DY740869 [1,1,0,0,0,0|1,0,0]=3 97 B6R0.7 CC(C)S(N)(=O)=O NO15962 [1,1,0,0,0,0|1,0,0]=3 98 B6R0.7 CN(C)S(N)(=O)=O NO11736 [1,1,0,0,0,0|2,0,0]=4 99 B8R0.21 C=CCCCS(N)(=O)=O DY741415 [0,2,0,0,0,0|2,0,0]=4 100 B8R0.21 CCCCCS(=O)(=O)[O-] DY445019 [0,2,0,0,0,0|1,0,1]=4 101 B8R0.21 CCCCCS(=O)(=O)[O-] DY445025 [0,2,0,0,0,0|1,0,1]=4 102 B8R0.21 CCOCCS(=O)(=O)Cl NO15940 [0,2,0,0,0,0|1,1,0]=4 103 B8R0.21 CS(=O)(=O)CCCCN DY116558 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.21 CS(=O)(=O)OCCCF DY794817 [0,2,0,0,0,0|2,0,0]=4 105 B8R0.24 O=S(=O)([O-])CC(O)CCl DY514977 [0,2,0,0,0,0|0,1,1]=4 106 B8R0.29 NS(=O)(=O)CCC(=O)O NO14468 [0,2,0,0,0,0|1,1,0]=4 107 B8R0.12 CN(C)S(=O)(=O)CCO NO19677 [0,2,0,0,0,0|1,1,0]=4 108 B6R1.2 O=C1CCSC1 DY20305 [1,0,0,1,0,0|2,0,0]=4 109 B6R1.11 O=C(O)C1CC1 NO13839 [1,0,0,1,0,0|2,0,0]=4 110 B6R1.11 O=S(O)C1CC1 DY586549 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.51 CC1COS(=O)(=O)O1 DY770145 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.51 NC1CCS(=O)(=O)C1 NO22113 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.51 O=C1CCS(=O)(=O)C1 NO20460 [0,1,0,1,0,0|1,1,0]=4 114 B8R1.55 CS(=O)(=O)C1CNC1 NO15961 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.55 O=S(=O)(Cl)N1CCC1 DY586556 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.56 NS(=O)(=O)CC1CC1 DY757675 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.72 O=S1(=O)CCCCN1 DY428209 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.70 CC1(S(N)(=O)=O)CC1 NO12815 [0,1,0,1,0,0|2,0,0]=4