0 B9R0.57 C=C(CS(=O)(=O)C)C(=O)O MCULE-8684596223 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.57 C=C(OP(=O)(O)O)C(=O)O MCULE-3602390360 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.57 C=C(OP(=O)(O)O)C(=O)O MCULE-8044116150 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.57 CC(C)(C)CC(=O)C(=O)O MCULE-5877446185 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.57 CC(CS(=O)(=O)C)C(=O)O MCULE-2992876868 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.57 CC(NS(=O)(=O)C)C(=O)O MCULE-2056263094 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.57 CC(OS(=O)(=O)C)C(=O)O MCULE-6814271322 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.57 CS(=O)(=NC(=O)C(=O)O)C MCULE-5865028854 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-1117561111 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-3044564695 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.57 C[C@@H](OS(=O)(=O)C)C(=O)O MCULE-3187136828 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)O MCULE-2778053479 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)O MCULE-4590226415 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [0,0,0,0,0,0|1,0,1]=2 15 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [0,0,0,0,0,0|1,0,1]=2 16 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [0,0,0,0,0,0|1,0,1]=2 18 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [0,0,0,0,0,0|1,0,1]=2 19 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [1,0,0,0,0,0|1,0,2]=4 36 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [1,0,0,0,0,0|1,0,2]=4 37 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [1,0,0,0,0,0|1,0,0]=2 42 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [1,0,0,0,0,0|1,0,2]=4 46 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [1,0,0,0,0,0|1,0,2]=4 48 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [1,0,0,0,0,0|1,1,1]=4 49 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [1,0,0,0,0,0|1,0,2]=4 52 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [1,0,0,0,0,0|1,0,2]=4 53 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [1,0,0,0,0,0|1,0,2]=4 57 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [1,0,0,0,0,0|1,0,2]=4 58 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [1,0,0,0,0,0|1,1,1]=4 59 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.24 C/C(=N/O)/CS(=O)(=O)C MCULE-9931648775 [1,0,0,0,0,0|3,0,0]=4 61 B8R0.24 CC(=NO)CS(=O)(=O)C MCULE-7699877874 [1,0,0,0,0,0|3,0,0]=4 62 B8R0.24 CC(=NO)CS(=O)(=O)[O-] MCULE-2442434647 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.24 CC(=NO)CS(=O)(=O)[O-] MCULE-8300846763 [1,0,0,0,0,0|2,0,1]=4 64 B8R0.24 CNC(=O)CS(=O)(=O)C MCULE-7688916364 [1,0,0,0,0,0|3,0,0]=4 65 B8R0.24 COC(=O)CS(=O)(=O)C MCULE-8613714610 [1,0,0,0,0,0|3,0,0]=4 66 B8R0.24 COC(=O)CS(=O)(=O)Cl MCULE-1243995626 [1,0,0,0,0,0|3,0,0]=4 67 B8R0.24 COC(=O)CS(=O)(=O)F MCULE-7680738509 [1,0,0,0,0,0|3,0,0]=4 68 B8R0.24 COC(=O)CS(=O)(=O)N MCULE-3798914658 [1,0,0,0,0,0|3,0,0]=4 69 B8R0.24 COC(=O)CS(=O)(=O)O MCULE-8404555176 [1,0,0,0,0,0|2,0,0]=3 70 B8R0.24 COC(=O)CS(=O)(=O)[O-] MCULE-1512976061 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.24 CS(=O)(=O)C/C(=N/O)/N MCULE-1802510733 [1,0,0,0,0,0|3,0,0]=4 72 B8R0.24 CS(=O)(=O)CC(=O)NN MCULE-5238237367 [1,0,0,0,0,0|3,0,0]=4 73 B8R0.24 O=C(CP(=O)(O)O)NO MCULE-2272923571 [1,0,0,0,0,0|2,0,1]=4 74 B8R0.24 O=S(=O)(O)CC(O)CO MCULE-8972853403 [1,0,0,0,0,0|0,0,3]=4 75 B8R0.29 CC(=O)CCS(=O)(=O)C MCULE-3749048069 [1,0,0,0,0,0|2,0,1]=4 76 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [1,0,0,0,0,0|2,0,1]=4 77 B8R0.29 CS(=O)(=O)C=CC(=O)O MCULE-9110705817 [1,0,0,0,0,0|1,0,1]=3 78 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [1,0,0,0,0,0|1,0,1]=3 79 B8R0.29 CS(=O)(=O)NCC(=O)O MCULE-6239662408 [1,0,0,0,0,0|2,0,1]=4 80 B8R0.29 CS(=O)(=O)OCC(=O)O MCULE-5511249618 [1,0,0,0,0,0|2,0,1]=4 81 B8R0.29 NS(=O)(=O)CC=C(Cl)Cl MCULE-1837296452 [1,0,0,0,0,0|3,0,0]=4 82 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [1,0,0,0,0,0|1,0,1]=3 83 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [1,0,0,0,0,0|1,0,2]=4 84 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [1,0,0,0,0,0|0,0,1]=2 85 B8R0.29 O=C([O-])CCS(=O)(=O)[O-] MCULE-7929163880 [1,0,0,0,0,0|0,0,3]=4 86 B8R0.29 O=S(=O)(Cl)CC=C(Cl)Cl MCULE-5414288219 [1,0,0,0,0,0|3,0,0]=4 87 B10R0.37 COC(=O)C(C)CS(=O)(=O)Cl MCULE-6603934209 [0,1,0,0,0,0|2,0,1]=4 88 B10R0.154 CC(C(=O)O)C(C)S(=O)(=O)C MCULE-2563221262 [0,1,0,0,0,0|2,0,1]=4 89 B10R0.163 CC(C)(CS(=O)(=O)C)C(=O)O MCULE-9852676742 [0,1,0,0,0,0|2,0,1]=4 90 B10R0.163 CC(C)(CS(=O)(=O)N)C(=O)O MCULE-5940582557 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.359 O=C(O)C1=CCS(=O)(=O)C1 MCULE-9908630262 [0,0,0,1,0,0|2,0,0]=3 92 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 MCULE-3551776261 [0,0,0,1,0,0|2,0,1]=4 93 B10R1.566 NC1(CS(=O)(=O)C1)C(=O)O MCULE-6225932613 [0,0,0,1,0,0|2,0,1]=4 94 B8R0.27 CC(C(=O)O)S(=O)(=O)C MCULE-7357476405 [0,0,0,0,1,0|2,0,1]=4 95 B8R0.27 CC(C(=O)O)S(=O)(=O)N MCULE-9865873949 [0,0,0,0,1,0|2,0,1]=4 96 B10R0.31 NC(=CC(=O)O)CP(=O)(O)O MCULE-1305156195 [0,0,0,0,0,1|2,0,1]=4 97 B10R0.31 NC(=O)NC(=O)CP(=O)(O)O MCULE-3971513778 [0,0,0,0,0,1|2,0,1]=4 98 B10R0.31 NC(=O)NC(=O)CP(=O)(O)O MCULE-7873324486 [0,0,0,0,0,1|2,0,1]=4 99 B10R0.92 CP(=O)(O)CCC(=O)C(=O)O MCULE-1980572351 [0,0,0,0,0,1|2,0,0]=3 100 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MCULE-8107053430 [0,0,0,0,0,1|2,0,1]=4 101 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-1126326759 [0,0,0,0,0,1|2,0,1]=4 102 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-3558725435 [0,0,0,0,0,1|2,0,1]=4 103 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-2269540933 [0,0,0,0,0,1|2,0,1]=4 104 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-4203364916 [0,0,0,0,0,1|2,0,1]=4 105 B10R0.92 CS(=O)(=O)SCC(N)C(=O)O MCULE-1061975394 [0,0,0,0,0,1|2,0,1]=4 106 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O MCULE-7377602601 [0,0,0,0,0,1|1,0,1]=3 107 B10R0.92 NC(COS(=O)(=O)O)C(=O)O MCULE-5049646882 [0,0,0,0,0,1|1,0,1]=3 108 B10R0.92 NC(CSS(=O)(=O)O)C(=O)[O-] MCULE-4046079265 [0,0,0,0,0,1|1,0,2]=4 109 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O MCULE-8204260402 [0,0,0,0,0,1|1,0,1]=3 110 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O MCULE-3746813647 [0,0,0,0,0,1|1,0,1]=3 111 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O MCULE-9474608832 [0,0,0,0,0,1|1,0,1]=3 112 B10R0.92 N[C@@H](COS(=O)(=O)[O-])C(=O)O MCULE-9200207665 [0,0,0,0,0,1|1,0,2]=4 113 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)O MCULE-5127296011 [0,0,0,0,0,1|1,0,1]=3 114 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)[O-] MCULE-1017024868 [0,0,0,0,0,1|1,0,2]=4 115 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)[O-] MCULE-7847954389 [0,0,0,0,0,1|1,0,2]=4 116 B10R0.92 O=C(O)C(=O)COP(=O)(O)O MCULE-6558415212 [0,0,0,0,0,1|1,0,1]=3 117 B10R0.92 [C@H](N)(CSS(=O)(=O)O)C(=O)O MCULE-9668444815 [0,0,0,0,0,1|1,0,1]=3 118 B10R0.92 [NH3+]C(CSS(=O)(=O)[O-])C(=O)O MCULE-9892019930 [0,0,0,0,0,1|1,0,2]=4 119 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [2,0,0,0,0,0|1,0,1]=4 120 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [2,0,0,0,0,0|2,0,0]=4 121 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [2,0,0,0,0,0|2,0,0]=4 122 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [2,0,0,0,0,0|1,0,1]=4 123 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [2,0,0,0,0,0|1,0,1]=4 124 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [2,0,0,0,0,0|1,0,1]=4 125 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [2,0,0,0,0,0|1,0,1]=4 126 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [2,0,0,0,0,0|1,0,1]=4 127 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [2,0,0,0,0,0|1,0,1]=4 128 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [2,0,0,0,0,0|1,0,1]=4 129 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [2,0,0,0,0,0|1,0,1]=4 130 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [2,0,0,0,0,0|1,0,1]=4 131 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [2,0,0,0,0,0|1,0,1]=4 132 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [2,0,0,0,0,0|1,0,1]=4 133 B7R0.8 CS(=O)(=O)CCC=O MCULE-1821843669 [2,0,0,0,0,0|1,0,1]=4 134 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [2,0,0,0,0,0|0,0,2]=4 135 B7R0.9 C=C(Br)CS(=O)(=O)F MCULE-9150168788 [2,0,0,0,0,0|2,0,0]=4 136 B7R0.9 C=C(C)CS(=O)(=O)Cl MCULE-2794551844 [2,0,0,0,0,0|2,0,0]=4 137 B7R0.9 C=C(C)CS(=O)(=O)O MCULE-9682032193 [2,0,0,0,0,0|1,0,0]=3 138 B7R0.9 C=C(C)CS(=O)(=O)[O-] MCULE-2476105827 [2,0,0,0,0,0|1,0,1]=4 139 B7R0.9 CC(=O)CS(=O)(=O)C MCULE-5686426572 [2,0,0,0,0,0|1,0,1]=4 140 B7R0.9 CC(=O)CS(=O)(=O)F MCULE-1649143366 [2,0,0,0,0,0|1,0,1]=4 141 B7R0.9 CC(=O)CS(=O)(=O)N MCULE-1632563820 [2,0,0,0,0,0|1,0,1]=4 142 B7R0.9 CS(=O)(=O)CC(=O)Cl MCULE-9861100117 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.9 CS(=O)(=O)CC(=O)N MCULE-1619614870 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [2,0,0,0,0,0|1,0,0]=3 145 B7R0.9 NC(=O)CS(=O)(=O)N MCULE-5735073011 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [2,0,0,0,0,0|1,0,0]=3 147 B7R0.9 O=C(Cl)CS(=O)(=O)Cl MCULE-2724707205 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [2,0,0,0,0,0|1,0,1]=4 149 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [2,0,0,0,0,0|0,0,0]=2 150 B9R0.23 C=C(CC(=O)O)C(=O)OC MCULE-6964816559 [1,1,0,0,0,0|2,0,0]=4 151 B9R0.23 COC(=O)C(=O)CC(=O)C MCULE-8074026108 [1,1,0,0,0,0|2,0,0]=4 152 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [1,1,0,0,0,0|2,0,0]=4 153 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [1,1,0,0,0,0|2,0,0]=4 154 B9R0.42 COC(=O)CC(=O)C(=O)O MCULE-5008305161 [1,1,0,0,0,0|1,0,0]=3 155 B9R0.21 COC(=O)C=CS(=O)(=O)Cl MCULE-4423379896 [1,1,0,0,0,0|1,0,1]=4 156 B9R0.21 COC(=O)C=CS(=O)(=O)F MCULE-3726247693 [1,1,0,0,0,0|1,0,1]=4 157 B9R0.21 COC(=O)CCS(=O)(=O)C MCULE-4450384265 [1,1,0,0,0,0|1,0,1]=4 158 B9R0.21 COC(=O)CCS(=O)(=O)Cl MCULE-9750988258 [1,1,0,0,0,0|1,0,1]=4 159 B9R0.21 COC(=O)CCS(=O)(=O)F MCULE-9045673816 [1,1,0,0,0,0|1,0,1]=4 160 B9R0.21 COC(=O)CCS(=O)(=O)N MCULE-6764009838 [1,1,0,0,0,0|1,0,1]=4 161 B9R0.64 CCS(=O)(=O)CCC(=O)O MCULE-6074163165 [1,1,0,0,0,0|1,0,1]=4 162 B9R0.64 CNS(=O)(=O)CCC(=O)O MCULE-4872511761 [1,1,0,0,0,0|1,0,1]=4 163 B9R0.77 O=S(=O)(O)CCS(=O)(=O)O MCULE-1278358457 [1,1,0,0,0,0|1,0,1]=4 164 B9R0.72 NCC(C(=O)O)S(=O)(=O)O MCULE-2775215296 [0,1,0,0,1,0|1,0,1]=4 165 B9R0.80 O=C(O)C(F)(F)S(=O)(=O)O MCULE-1587050384 [0,1,0,0,1,0|1,0,1]=4 166 B9R1.36 O=C1NS(=O)(=O)NC1=O MCULE-6405396273 [1,0,0,1,0,0|2,0,0]=4 167 B9R1.164 O=C(O)C1CS(=O)(=O)C1 MCULE-7280424141 [1,0,0,1,0,0|1,0,1]=4 168 B11R1.866 COC(=O)C1=CCS(=O)(=O)C1 MCULE-1609587717 [0,1,0,1,0,0|2,0,0]=4 169 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [1,0,0,0,1,0|2,0,0]=4 170 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [1,0,0,0,1,0|1,0,0]=3 171 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [1,0,0,0,0,1|2,0,0]=4 172 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [1,0,0,0,0,1|1,0,0]=3 173 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [1,0,0,0,0,1|1,0,1]=4 174 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [1,0,0,0,0,1|1,0,0]=3 175 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [1,0,0,0,0,1|1,0,1]=4 176 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [1,0,0,0,0,1|2,0,0]=4 177 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [1,0,0,0,0,1|2,0,0]=4 178 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [1,0,0,0,0,1|2,0,0]=4 179 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [1,0,0,0,0,1|1,0,0]=3 180 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [1,0,0,0,0,1|2,0,0]=4 181 B9R0.56 CC(=O)NCCS(=O)(=O)O MCULE-4053951959 [1,0,0,0,0,1|1,0,1]=4 182 B9R0.56 CC(=O)SCCS(=O)(=O)O MCULE-4519705338 [1,0,0,0,0,1|1,0,1]=4 183 B9R0.56 CS(=O)(=O)CCCC(=O)O MCULE-2515518184 [1,0,0,0,0,1|1,0,1]=4 184 B9R0.56 CS(=O)(=O)NCCC(=O)O MCULE-7823027792 [1,0,0,0,0,1|1,0,1]=4 185 B9R0.56 NC(=O)NCCS(=O)(=O)O MCULE-6567400181 [1,0,0,0,0,1|1,0,1]=4 186 B9R0.56 NS(=O)(=O)CCCC(=O)O MCULE-8548216682 [1,0,0,0,0,1|1,0,1]=4 187 B9R0.56 NS(=O)(=O)NCCC(=O)O MCULE-7564527970 [1,0,0,0,0,1|1,0,1]=4 188 B11R0.318 C=C(C)C(=O)OCCS(=O)(=O)O MCULE-6319178019 [0,0,0,0,0,2|2,0,0]=4