0 B4R0.1 C(=O)(N)NO NHY [0,0,0,0,0,0|2,1,1]=4 1 B4R0.1 C(=O)C(=O)O GLV [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C(C(=O)N)F FTM [0,0,0,0,0,0|4,0,0]=4 3 B4R0.1 C(C(=O)N)N GM1 [0,0,0,0,0,0|4,0,0]=4 4 B4R0.1 C(C(=O)O)Br BRM [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 C(C(=O)O)Br BXA [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 C(C(=O)O)Cl R3W [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 C(C(=O)O)F FAH [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 C(C(=O)O)I 04E [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 C(C(=O)O)N GLY [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 C(C(=O)O)N GLY_LFOH [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 C(C(=O)O)O GOA [0,0,0,0,0,0|2,0,2]=4 12 B4R0.1 C(C(=O)O)S MCR [0,0,0,0,0,0|2,1,1]=4 13 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 C(C(=O)S)N GL3 [0,0,0,0,0,0|3,1,0]=4 15 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 C=CC(=O)N 1HC [0,0,0,0,0,0|4,0,0]=4 18 B4R0.1 C=CC(=O)O AKR [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 CC(=O)C=O PVL [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 CC(=O)CCl ATO [0,0,0,0,0,0|4,0,0]=4 21 B4R0.1 CC(=O)CN GCM [0,0,0,0,0,0|4,0,0]=4 22 B4R0.1 CC(=O)CN GLM [0,0,0,0,0,0|4,0,0]=4 23 B4R0.1 CC(=O)CO 4Y8 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.1 CC(=O)NC NML [0,0,0,0,0,0|3,1,0]=4 25 B4R0.1 CC(=O)NO HAE [0,0,0,0,0,0|2,1,1]=4 26 B4R0.1 CC(=O)OO F50 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.1 CC(=O)O[Hg+] MAC [0,0,0,0,0,0|4,0,0]=4 28 B4R0.1 CC(C)C=O 5OZ [0,0,0,0,0,0|4,0,0]=4 29 B4R0.1 CCC(=O)N ROP [0,0,0,0,0,0|4,0,0]=4 30 B4R0.1 CCC(=O)O PPI [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 CC[N+](=O)[O-] NIE [0,0,0,0,0,0|2,1,1]=4 32 B4R0.1 CN(C)C=O DMF [0,0,0,0,0,0|3,1,0]=4 33 B4R0.1 CNC(=O)N NMU [0,0,0,0,0,0|3,1,0]=4 34 B4R0.1 CNC(=O)O RGI [0,0,0,0,0,0|2,1,1]=4 35 B4R0.1 COC(=O)O 000 [0,0,0,0,0,0|3,0,1]=4 36 B4R0.1 C[C@@H](C=O)N 5XU [0,0,0,0,0,0|4,0,0]=4 37 B4R0.1 C[C@@H]([C-]=O)[NH-] ALA_LL [0,0,0,0,0,0|4,0,0]=4 38 B4R0.1 C[C@@H]([C-]=O)[NH3+] ALA_LSN3 [0,0,0,0,0,0|4,0,0]=4 39 B4R0.1 O[Mo+4](=O)S[Cu+] CUN [0,0,0,0,0,0|3,0,1]=4 40 B4R0.1 O[Mo+6](=O)S[Cu+] CUM [0,0,0,0,0,0|3,0,1]=4 41 B3R0.1 C(=O)C=O GXT [1,0,0,0,0,0|2,0,0]=3 42 B3R0.1 C(C=O)N GLZ [1,0,0,0,0,0|3,0,0]=4 43 B3R0.1 C(N)[SH]=O OSM [1,0,0,0,0,0|3,0,0]=4 44 B3R0.1 C([C-]=O)[NH-] GLY_LL [1,0,0,0,0,0|3,0,0]=4 45 B3R0.1 C([C-]=O)[NH3+] GLY_LSN3 [1,0,0,0,0,0|3,0,0]=4 46 B3R0.1 CCC=O CBG [1,0,0,0,0,0|3,0,0]=4 47 B3R0.1 CCC=O PNL [1,0,0,0,0,0|3,0,0]=4 48 B3R0.1 CCN=O NOE [1,0,0,0,0,0|2,1,0]=4 49 B3R0.2 C(=O)(N)N URE [1,0,0,0,0,0|2,1,0]=4 50 B3R0.2 C(=O)(N)O OUT [1,0,0,0,0,0|1,1,1]=4 51 B3R0.2 C(=O)(O)[O-] BCT [1,0,0,0,0,0|1,0,2]=4 52 B3R0.2 C(=O)([O-])[O-] CO3 [1,0,0,0,0,0|1,0,2]=4 53 B3R0.2 CC(=O)C ACN [1,0,0,0,0,0|3,0,0]=4 54 B3R0.2 CC(=O)N ACM [1,0,0,0,0,0|2,1,0]=4 55 B3R0.2 CC(=O)N CNM [1,0,0,0,0,0|2,1,0]=4 56 B3R0.2 CC(=O)O ACY [1,0,0,0,0,0|2,0,1]=4 57 B3R0.2 CC(=O)O CBM [1,0,0,0,0,0|2,0,1]=4 58 B3R0.2 CC(=O)O CM [1,0,0,0,0,0|2,0,1]=4 59 B3R0.2 CC(=O)[O-] ACT [1,0,0,0,0,0|2,0,1]=4 60 B3R0.2 CS(=O)C DMS [1,0,0,0,0,0|3,0,0]=4 61 B3R0.2 C[P@H](=O)O MPS [1,0,0,0,0,0|1,1,1]=4 62 B3R0.2 C[P@H](=O)O SOM [1,0,0,0,0,0|1,1,1]=4 63 B3R0.2 C[P@H](=O)[O-] VXA [1,0,0,0,0,0|1,1,1]=4 64 B3R0.2 O=[Mo](=O)=S SMO [1,0,0,0,0,0|1,1,0]=3 65 B3R0.2 O=[Mo](=O)S MOS [1,0,0,0,0,0|1,1,0]=3 66 B3R0.2 O=[V-](=O)=O VN3 [1,0,0,0,0,0|1,0,0]=2 67 B3R0.2 OBr(=O)=O 202 [1,0,0,0,0,0|1,0,1]=3 68 B3R0.2 OP(=O)O PHS [1,0,0,0,0,0|0,1,2]=4 69 B3R0.2 O[Mo+6](=O)O OMO [1,0,0,0,0,0|1,0,2]=4 70 B3R0.2 O[Mo](=O)=O MOM [1,0,0,0,0,0|1,0,1]=3 71 B3R0.2 O[SH](=O)O SFO [1,0,0,0,0,0|1,0,2]=4 72 B3R0.2 O[Se](=O)[O-] BSY [1,0,0,0,0,0|1,0,2]=4 73 B3R0.2 [N+](=O)([O-])[O-] NO3 [1,0,0,0,0,0|0,1,2]=4 74 B3R0.2 [O-]Cl(=O)=O LCO [1,0,0,0,0,0|1,0,1]=3 75 B3R0.2 [O-]P(=O)[O-] 2PO [1,0,0,0,0,0|0,1,2]=4 76 B3R0.2 [O-]S(=O)=O SFN [1,0,0,0,0,0|1,0,1]=3 77 B3R0.2 [O-]S(=O)[O-] SO3 [1,0,0,0,0,0|1,0,2]=4 78 B3R0.2 [O-][P-](=O)[O-] PO3 [1,0,0,0,0,0|0,1,2]=4 79 B3R0.2 [O-][V](=O)=O VN4 [1,0,0,0,0,0|1,0,1]=3 80 B5R0.4 C=CS(=O)(=O)O VSO [0,1,0,0,0,0|3,0,0]=4 81 B5R0.4 CCS(=O)(=O)O ESA [0,1,0,0,0,0|3,0,0]=4 82 B5R0.4 CSS(=O)(=O)C Z22 [0,1,0,0,0,0|3,0,0]=4 83 B5R0.4 NOS(=O)(=O)N 4J3 [0,1,0,0,0,0|3,0,0]=4 84 B5R0.4 NS(=O)(=O)NO HSW [0,1,0,0,0,0|1,1,1]=4 85 B5R0.5 C(=O)(C(=O)O)N OXM [0,1,0,0,0,0|2,0,1]=4 86 B5R0.5 C(=O)(C(=O)O)O OXD [0,1,0,0,0,0|2,0,1]=4 87 B5R0.5 C(=O)(C(=O)[O-])[O-] OXL [0,1,0,0,0,0|2,0,1]=4 88 B5R0.5 CC(=O)C(=O)N PYM [0,1,0,0,0,0|3,0,0]=4 89 B5R0.5 CC(=O)C(=O)O PYR [0,1,0,0,0,0|2,0,1]=4 90 B5R0.5 [O-]S(=O)S(=O)[O-] DTN [0,1,0,0,0,0|2,0,1]=4 91 B2R0.1 C(=O)=O CO2 [2,0,0,0,0,0|1,0,0]=3 92 B2R0.1 C(=O)N ARF [2,0,0,0,0,0|1,1,0]=4 93 B2R0.1 C(=O)O CBX [2,0,0,0,0,0|1,0,1]=4 94 B2R0.1 C(=O)O FMT [2,0,0,0,0,0|1,0,1]=4 95 B2R0.1 CC=O ACE [2,0,0,0,0,0|2,0,0]=4 96 B2R0.1 CC=O ACU [2,0,0,0,0,0|2,0,0]=4 97 B2R0.1 CC=O MCB [2,0,0,0,0,0|2,0,0]=4 98 B2R0.1 CN=O NSM [2,0,0,0,0,0|1,1,0]=4 99 B2R0.1 N(=O)[O-] NO2 [2,0,0,0,0,0|0,1,1]=4 100 B2R0.1 N(=O)[O] 2NO [2,0,0,0,0,0|0,1,1]=4 101 B2R0.1 O=S=O SO2 [2,0,0,0,0,0|1,0,0]=3 102 B2R0.1 O=[Mo]=O 2MO [2,0,0,0,0,0|1,0,0]=3 103 B2R0.1 O=[Mo]=O MM4 [2,0,0,0,0,0|1,0,0]=3 104 B2R0.1 O=[Mo]S MOW [2,0,0,0,0,0|1,1,0]=4 105 B2R0.1 [O-]P=O PO2 [2,0,0,0,0,0|0,1,1]=4 106 B4R0.2 C(C=O)C=O MDD [1,1,0,0,0,0|2,0,0]=4 107 B4R0.3 CS(=O)(=O)O 03S [1,1,0,0,0,0|1,0,1]=4 108 B4R0.3 OS(=O)(=O)[O-] SOH [1,1,0,0,0,0|1,0,1]=4 109 B4R0.3 [O-]Cl(=O)(=O)=O LCP [1,1,0,0,0,0|1,0,0]=3 110 B4R0.3 [O-]I(=O)(=O)=O PEJ [1,1,0,0,0,0|1,0,0]=3 111 B4R0.3 [O-]S(=O)(=O)[O-] SO4 [1,1,0,0,0,0|1,0,1]=4 112 B4R0.3 [O-]S(=O)(=O)[O-] SUL [1,1,0,0,0,0|1,0,1]=4 113 B4R0.3 [O-]S(=O)(=O)[S-] THJ [1,1,0,0,0,0|1,0,1]=4 114 B4R0.3 [O-][Cr](=O)(=O)[O-] CQ4 [1,1,0,0,0,0|1,0,1]=4 115 B4R0.3 [O-][Mo](=O)(=O)[O-] MOO [1,1,0,0,0,0|1,0,1]=4 116 B4R0.3 [O-][Re](=O)(=O)=O REO [1,1,0,0,0,0|1,0,0]=3 117 B4R0.3 [O-][Se](=O)(=O)[O-] SE4 [1,1,0,0,0,0|1,0,1]=4 118 B4R0.3 [O-][W](=O)(=O)[O-] WO4 [1,1,0,0,0,0|1,0,1]=4