0 B5R0.5 C=C(C)B(O)O X6995 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.5 C=C(C)C(C)C 5230AL [0,0,0,0,0,0|3,0,0]=3 2 B5R0.5 C=C(F)C(=O)[O-] 0621AP [0,0,0,0,0,0|1,0,3]=4 3 B5R0.5 CC(=O)C(=O)[O-] 7017AF [0,0,0,0,0,0|0,0,3]=3 4 B5R0.5 CC(=O)C(C)F 0085AF [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 CC(Cl)C(Cl)Cl 7030AF [0,0,0,0,0,0|3,0,1]=4 6 B5R0.5 CC(N)C(C)O 7117AF [0,0,0,0,0,0|2,0,1]=3 7 B5R0.5 CC(O)C(=N)N 2094AL [0,0,0,0,0,0|2,0,0]=2 8 B5R0.5 CC(S)C(C)S 9352AJ [0,0,0,0,0,0|1,2,1]=4 9 B5R0.5 C[C@@H](O)C(=N)N X6061 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.5 C[C@H](N)C(N)=O 7048AH [0,0,0,0,0,0|2,0,0]=2 11 B5R0.5 NC(=O)C(F)Br 3265AE [0,0,0,0,0,0|3,0,0]=3 12 B5R0.5 NC(=O)C(F)I 3275AE [0,0,0,0,0,0|3,0,0]=3 13 B5R0.5 O=C(O)C(=O)O 7001AF [0,0,0,0,0,0|1,0,1]=2 14 B5R0.5 O=C(O)C(Cl)Br 8168AB [0,0,0,0,0,0|2,0,0]=2 15 B5R0.5 O=C(O)C(F)Br 8446AJ [0,0,0,0,0,0|2,0,0]=2 16 B5R0.5 O=C(O)C(F)Cl 4068AE [0,0,0,0,0,0|2,0,0]=2 17 B5R0.5 O=C([O-])C(=O)[O-] 6503AJ [0,0,0,0,0,0|1,0,3]=4 18 B5R0.5 O=C([O-])C(F)Br 8443AE [0,0,0,0,0,0|2,0,1]=3 19 B5R0.5 O=C([O-])C(F)I 0009AD [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 C#CC(C)N 3873AJ [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 C#C[C@@H](C)O 4141AL [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 C#C[C@H](C)N 9107AH [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 C#C[C@H](C)O 4183AL [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 C=C(F)CCl 6785AE [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 CC(=O)NBr 6847AF [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 CC(O)CF 7060AF [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CCC(=O)Br C859 [1,0,0,0,0,0|1,0,0]=2 28 B4R0.1 CC[SiH](Cl)Cl 7902AL [1,0,0,0,0,0|2,1,0]=4 29 B4R0.1 CSC(C)=O 9061AJ [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 CSC(C)C 8107AL [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 C[C@@H](O)CN V4887 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 C[C@H](O)CCl E885 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 C\C(N)=N/O 5291AE [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 N=C(N)CO 6468AB [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 N=C(N)CO X6638 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 NCC(=O)O 7986AL [1,0,0,0,0,0|1,0,0]=2 39 B4R0.1 NCC(=O)[O-] P522 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 NCC(=O)[O-] Z1943 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.3 C#CC(O)C(=O)O 5648AL [0,1,0,0,0,0|0,0,1]=2 42 B6R0.3 C=C(CBr)C(=O)O 1795AL [0,1,0,0,0,0|1,0,1]=3 43 B6R0.3 CC(=O)C(=O)CCl 5581AE [0,1,0,0,0,0|1,0,2]=4 44 B6R0.3 CC(=O)C(N)CO 6844AC [0,1,0,0,0,0|2,0,0]=3 45 B6R0.3 CC(C)C(O)C#N 4772AD [0,1,0,0,0,0|2,0,1]=4 46 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,1,0,0,0,0|2,0,1]=4 47 B6R0.3 CC(CO)C(=O)O Z7389 [0,1,0,0,0,0|0,0,0]=1 48 B6R0.3 CCC(=O)C(C)Br 5539AL [0,1,0,0,0,0|2,0,0]=3 49 B6R0.3 CCC(=O)C(C)S 5675AL [0,1,0,0,0,0|1,1,0]=3 50 B6R0.3 CCC(C)C(C)=O U423 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,1,0,0,0,0|0,0,1]=2 52 B6R0.3 CCC(S)C(C)=O 9471AJ [0,1,0,0,0,0|1,1,0]=3 53 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,1,0,0,0,0|2,0,0]=3 54 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,1,0,0,0,0|1,0,0]=2 55 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,1,0,0,0,0|1,0,0]=2 56 B6R0.3 CN(C)C(=O)CI 1440AC [0,1,0,0,0,0|3,0,0]=4 57 B6R0.3 CN(C)C(=O)CN W4015 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.3 CN(C)C(=O)CN Z5718 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.3 CN(C)C(=O)NN 2785AE [0,1,0,0,0,0|3,0,0]=4 60 B6R0.3 CNC(=O)C(C)Cl 3091AE [0,1,0,0,0,0|2,0,0]=3 61 B6R0.3 CNC(=O)C(F)Cl 5097AE [0,1,0,0,0,0|3,0,0]=4 62 B6R0.3 COC(=O)N(C)N 6989AD [0,1,0,0,0,0|2,0,0]=3 63 B6R0.3 COC(=O)[C@@H](C)Cl X3442 [0,1,0,0,0,0|1,0,0]=2 64 B6R0.3 COC(C)C(C)O V6491 [0,1,0,0,0,0|1,0,1]=3 65 B6R0.3 CON(C)C(=O)Cl 8593AL [0,1,0,0,0,0|2,0,0]=3 66 B6R0.3 CSC(C)C(=O)O 6148AE [0,1,0,0,0,0|0,1,0]=2 67 B6R0.3 CSC(C)C(C)=O 6125AL [0,1,0,0,0,0|1,1,0]=3 68 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,1,0,0,0,0|1,0,0]=2 69 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,1,0,0,0,0|1,0,0]=2 70 B6R0.3 C[C@H](O)[C@H](N)CO Z5595 [0,1,0,0,0,0|1,0,1]=3 71 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,1,0,0,0,0|2,0,1]=4 72 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,1,0,0,0,0|1,0,1]=3 73 B6R0.3 NC(=O)C(Br)CBr 5213AL [0,1,0,0,0,0|2,0,0]=3 74 B6R0.3 NC(=O)C(Cl)CCl 5220AL [0,1,0,0,0,0|2,0,0]=3 75 B6R0.3 NC(=O)C(N)CO 2131AB [0,1,0,0,0,0|2,0,0]=3 76 B6R0.3 NCC(N)C(=O)O 3293AL [0,1,0,0,0,0|1,0,0]=2 77 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,1,0,0,0,0|1,0,0]=2 78 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [0,1,0,0,0,0|1,0,0]=2 79 B6R0.3 O=C(O)C(Cl)CO 0455AQ [0,1,0,0,0,0|1,0,0]=2 80 B6R0.3 O=C(O)C(O)CCl 2399AL [0,1,0,0,0,0|0,0,0]=1 81 B6R0.3 O=C([O-])C(O)CO 7310AL [0,1,0,0,0,0|0,0,1]=2 82 B6R0.7 CC(=O)C(C)(C)Br Y1567 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.7 CC(=O)C(C)(C)O X0229 [0,1,0,0,0,0|1,0,0]=2 84 B6R0.7 CC(C)(C)S(=O)Cl 0001AE [0,1,0,0,0,0|3,0,0]=4 85 B6R0.7 CC(C)(Cl)C(=O)O 8852AB [0,1,0,0,0,0|1,0,0]=2 86 B6R0.7 CC(C)(N)C(N)=O 5432AJ [0,1,0,0,0,0|2,0,0]=3 87 B6R0.7 CC(C)(N)C(N)=O 5907AD [0,1,0,0,0,0|2,0,0]=3 88 B6R0.7 CC(C)S(=O)(=O)[O-] 7069AF [0,1,0,0,0,0|2,0,1]=4 89 B6R0.7 CC(N)P(=O)(O)O 9663AJ [0,1,0,0,0,0|2,0,0]=3 90 B6R1.11 CC(=O)C1CO1 3696AE [0,0,0,1,0,0|1,0,0]=2 91 B6R1.11 O=C(O)C1CN1 7766AB [0,0,0,1,0,0|1,0,0]=2 92 B6R1.11 [C@H]1(C(=O)[O-])CO1 0144AF [0,0,0,1,0,0|0,0,1]=2 93 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [0,0,0,0,0,1|0,0,3]=4 94 B6R0.2 CC(=O)SC(C)=O 7216AF [0,0,0,0,0,1|1,0,2]=4 95 B6R0.2 CC(C)O[N+](=O)[O-] F423 [0,0,0,0,0,1|2,0,1]=4 96 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,0,0,0,0,1|1,0,1]=3 97 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,0,0,0,0,1|2,0,1]=4 98 B6R0.2 CN(C)NC(N)=O 4373AL [0,0,0,0,0,1|3,0,0]=4 99 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,0,0,0,0,1|1,0,0]=2 100 B6R0.2 C[C@H](O)CN(C)C 7646AB [0,0,0,0,0,1|3,0,0]=4 101 B6R0.2 NC(=O)CC(=O)O 1571AB [0,0,0,0,0,1|1,0,2]=4 102 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,1]=4 103 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|1,0,1]=4 104 B3R0.1 C\C=C\Br 4765AL [2,0,0,0,0,0|1,0,1]=4 105 B3R0.2 C=[N+](C)C X4459 [2,0,0,0,0,0|2,0,0]=4 106 B3R0.2 CC(=N)N 6978AL [2,0,0,0,0,0|2,0,0]=4 107 B3R0.2 CC(=O)[O-] Y2043 [2,0,0,0,0,0|0,0,1]=3 108 B3R0.2 CC(=O)[O-] Y2049 [2,0,0,0,0,0|0,0,1]=3 109 B3R0.2 CC(Br)Br 4360AL [2,0,0,0,0,0|2,0,0]=4 110 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|2,0,0]=4 111 B3R0.2 NC(N)=O G570 [2,0,0,0,0,0|2,0,0]=4 112 B3R0.2 O=C([O-])O 6221AA [2,0,0,0,0,0|0,0,1]=3 113 B3R0.2 O=S(O)O 8693AF [2,0,0,0,0,0|1,0,0]=3 114 B3R0.2 O=[N+]([O-])O J70010 [2,0,0,0,0,0|1,0,1]=4 115 B5R0.1 C#CCC(C)O 6664AL [1,1,0,0,0,0|1,0,1]=4 116 B5R0.1 C=C(C)CCBr Z4377 [1,1,0,0,0,0|2,0,0]=4 117 B5R0.1 C=C(C)CON 4430AJ [1,1,0,0,0,0|2,0,0]=4 118 B5R0.1 C=CCC(N)=O Y1568 [1,1,0,0,0,0|1,0,1]=4 119 B5R0.1 C=COC(C)C 3476AL [1,1,0,0,0,0|2,0,0]=4 120 B5R0.1 CC(C)CON 7310AJ [1,1,0,0,0,0|1,0,1]=4 121 B5R0.1 CC(O)CON 3604AB [1,1,0,0,0,0|0,0,1]=3 122 B5R0.1 CCC=C(C)C 7499AF [1,1,0,0,0,0|2,0,0]=4 123 B5R0.1 CNCC(C)=O 4565AF [1,1,0,0,0,0|1,0,0]=3 124 B5R0.1 CNCC(C)O 5343AD [1,1,0,0,0,0|1,0,1]=4 125 B5R0.1 CNOC(C)=O 8699AL [1,1,0,0,0,0|2,0,0]=4 126 B5R0.1 COCC(=N)N 1769AJ [1,1,0,0,0,0|2,0,0]=4 127 B5R0.1 COCC(C)N 0442AC [1,1,0,0,0,0|1,0,1]=4 128 B5R0.1 COC[C@H](C)O W4988 [1,1,0,0,0,0|0,0,1]=3 129 B5R0.1 CS(=O)CCN 4290AE [1,1,0,0,0,0|2,0,0]=4 130 B5R0.1 CSCC(=N)N 1816AJ [1,1,0,0,0,0|2,0,0]=4 131 B5R0.1 C[C@@H](O)CC#N 1173AL [1,1,0,0,0,0|1,0,1]=4 132 B5R0.1 C[C@H](N)CCO 3502AC [1,1,0,0,0,0|1,0,1]=4 133 B5R0.1 C\C(Cl)=C\CO X6578 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.1 C\C=C\C(C)C 7501AF [1,1,0,0,0,0|2,0,0]=4 135 B5R0.1 NOCC(=O)O 2959AB [1,1,0,0,0,0|0,0,0]=2 136 B5R0.1 O=C(O)CCF 6350AB [1,1,0,0,0,0|0,0,0]=2 137 B5R0.1 O=C(O)\C=C/Br V3608 [1,1,0,0,0,0|0,0,2]=4 138 B5R0.1 O=C(O)\C=C/I 9333AB [1,1,0,0,0,0|0,0,2]=4 139 B5R0.1 O=C(O)\C=C\I V7047 [1,1,0,0,0,0|0,0,2]=4 140 B5R0.3 C#CC(O)CC X7089 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.3 C=CC(C)ON 4429AJ [1,1,0,0,0,0|1,0,0]=3 142 B5R0.3 C=C[C@H](N)CO 2392AL [1,1,0,0,0,0|2,0,0]=4 143 B5R0.3 CCC(=O)CN X8894 [1,1,0,0,0,0|1,0,0]=3 144 B5R0.3 CCC(=O)CO X5132 [1,1,0,0,0,0|0,0,0]=2 145 B5R0.3 CCC(=S)OC R571 [1,1,0,0,0,0|0,1,0]=3 146 B5R0.3 CCC(O)C#N 7246AF [1,1,0,0,0,0|1,0,1]=4 147 B5R0.3 CCC(O)CBr 4766AL [1,1,0,0,0,0|1,0,1]=4 148 B5R0.3 CNC(=O)NN 9285AA [1,1,0,0,0,0|2,0,0]=4 149 B5R0.3 CN[C@@H](C)CO X7940 [1,1,0,0,0,0|1,0,1]=4 150 B5R0.3 COC(C)C#N 0627AE [1,1,0,0,0,0|1,0,1]=4 151 B5R0.3 C\C(C=O)=C/N 3293AB [1,1,0,0,0,0|1,0,1]=4 152 B5R0.3 C\C=C(/C)CC 0241AQ [1,1,0,0,0,0|2,0,0]=4 153 B5R0.3 C\C=C(/C)CC 9220AL [1,1,0,0,0,0|2,0,0]=4 154 B5R0.3 C\C=C(\C)CC 7440AL [1,1,0,0,0,0|2,0,0]=4 155 B5R0.3 NNC(=O)NO 7306AD [1,1,0,0,0,0|2,0,0]=4 156 B5R0.3 N\C(CCl)=N/O 0296AE [1,1,0,0,0,0|2,0,0]=4 157 B5R0.3 N\C(CO)=N\O 9010AE [1,1,0,0,0,0|1,0,0]=3 158 B5R0.3 O=C[C@@H](O)CO I485 [1,1,0,0,0,0|0,0,0]=2 159 B5R0.3 O=C[C@H](O)CO I433 [1,1,0,0,0,0|0,0,0]=2 160 B5R0.3 OC(CCl)CBr 7042AF [1,1,0,0,0,0|1,0,1]=4 161 B5R0.3 OC[C@@H](O)CF 1216AL [1,1,0,0,0,0|0,0,1]=3 162 B5R0.4 CC(C)(Br)C=O 5926AA [1,1,0,0,0,0|1,0,0]=3 163 B5R0.4 CNS(=O)(=O)O 5637AB [1,1,0,0,0,0|2,0,0]=4 164 B7R0.2 C=CC(C)CC(=O)O 9796AA [0,1,0,0,0,1|1,0,0]=3 165 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,1,0,0,0,1|2,0,0]=4 166 B7R0.2 CC(=O)\C=C(\C)O[Rh] 7419AJ [0,1,0,0,0,1|1,0,1]=4 167 B7R0.2 CC(=O)\C=C(\C)O[Rh] G765 [0,1,0,0,0,1|1,0,1]=4 168 B7R0.2 CC(=O)\C=C(\C)O[Rh] O524 [0,1,0,0,0,1|1,0,1]=4 169 B7R0.2 CC(C)NC(=O)CBr 1764AC [0,1,0,0,0,1|2,0,0]=4 170 B7R0.2 CC(C)NC(=O)CN 6712AE [0,1,0,0,0,1|2,0,0]=4 171 B7R0.2 CC(O)CC(=O)NN 8247AD [0,1,0,0,0,1|1,0,0]=3 172 B7R0.2 CCC(N)CC(=O)O W4035 [0,1,0,0,0,1|1,0,0]=3 173 B7R0.2 COC(C)CC(=O)O 0132AA [0,1,0,0,0,1|0,0,0]=2 174 B7R0.2 COC(C)CC(C)O 5636AH [0,1,0,0,0,1|1,0,1]=4 175 B7R0.2 NCC(N)CC(=O)O 5843AA [0,1,0,0,0,1|1,0,0]=3 176 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [0,1,0,0,0,1|0,0,0]=2 177 B7R0.9 CC(=O)OC(C)(C)C Y7726 [0,1,0,0,0,1|2,0,0]=4 178 B7R0.9 CC(C)(N)CC(=O)O W7151 [0,1,0,0,0,1|1,0,0]=3 179 B7R0.16 CC(=O)C(=O)C(C)Br Y2126 [0,1,0,0,0,1|2,0,0]=4 180 B7R0.16 CC(C(=O)O)N(C)C 5353AD [0,1,0,0,0,1|2,0,0]=4 181 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,1,0,0,0,1|1,0,0]=3 182 B7R0.5 C=CCC(N)C(=O)O 7090AA [0,2,0,0,0,0|1,0,0]=3 183 B7R0.5 CCCC(=O)C(=O)O 5775AL [0,2,0,0,0,0|0,0,2]=4 184 B7R0.5 CCCC(=O)C(C)C 5712AL [0,2,0,0,0,0|2,0,0]=4 185 B7R0.5 CCNC(C)C(N)=O 7697AD [0,2,0,0,0,0|2,0,0]=4 186 B7R0.5 CCSC(C)C(=O)O 6924AD [0,2,0,0,0,0|0,1,0]=3 187 B7R0.5 COCC(Cl)C(=O)O 2065AB [0,2,0,0,0,0|1,0,0]=3 188 B7R0.5 CSC[C@H](N)C(=O)O 2067AC [0,2,0,0,0,0|1,0,0]=3 189 B7R0.5 N#CC[C@H](N)C(=O)O V6942 [0,2,0,0,0,0|1,0,0]=3 190 B7R0.5 NC(CCBr)C(=O)O 1883AC [0,2,0,0,0,0|1,0,0]=3 191 B7R0.5 NC(CCBr)C(=O)O E114 [0,2,0,0,0,0|1,0,0]=3 192 B7R0.5 NCCC(N)C(=O)O W7673 [0,2,0,0,0,0|1,0,0]=3 193 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [0,2,0,0,0,0|1,0,0]=3 194 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [0,2,0,0,0,0|1,0,0]=3 195 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [0,2,0,0,0,0|1,0,0]=3 196 B7R0.5 N[C@H](CCS)C(=O)O 8982AB [0,2,0,0,0,0|1,0,0]=3 197 B7R0.10 C=C(CCl)C(=O)OC X7009 [0,2,0,0,0,0|1,0,1]=4 198 B7R0.10 CCC(=O)C(O)CC 8871AL [0,2,0,0,0,0|1,0,0]=3 199 B7R0.10 CCC(C)C(=O)NN 8409AE [0,2,0,0,0,0|2,0,0]=4 200 B7R0.10 CC[C@@H](O)C(=O)OC 9868AL [0,2,0,0,0,0|0,0,0]=2 201 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [0,2,0,0,0,0|0,0,0]=2 202 B7R0.10 COC(=O)C(Cl)C=O 7018AD [0,2,0,0,0,0|1,0,1]=4 203 B7R0.10 COC(=O)C(F)CO 0323AC [0,2,0,0,0,0|1,0,0]=3 204 B7R0.10 COC(=O)C(O)CO 0209AP [0,2,0,0,0,0|0,0,0]=2 205 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [0,2,0,0,0,0|1,0,0]=3 206 B7R0.10 COC(=O)[C@@H](C)CO X3276 [0,2,0,0,0,0|0,0,0]=2 207 B7R0.10 COC(C)C(=O)NN 2016AF [0,2,0,0,0,0|1,0,0]=3 208 B7R0.10 C\C=C(/Br)C(=O)OC 3521AL [0,2,0,0,0,0|1,0,1]=4 209 B7R0.10 O=C[C@@H](O)[C@@H](O)CO 7579AB [0,2,0,0,0,0|0,0,1]=3 210 B7R0.10 OC(CCl)C(O)CCl 7787AL [0,2,0,0,0,0|1,0,1]=4 211 B7R0.10 OC[C@H](O)[C@@H](O)CO 8162AL [0,2,0,0,0,0|0,0,2]=4 212 B7R0.10 O[C@@H](CS)[C@@H](O)CS 7309AH [0,2,0,0,0,0|0,1,1]=4 213 B7R0.10 O[C@H](CS)[C@@H](O)CS 3591AH [0,2,0,0,0,0|0,1,1]=4 214 B7R0.13 C#CC(C)(C)C(=O)O Z3525 [0,2,0,0,0,0|1,0,0]=3 215 B7R0.13 CC(C)(C#N)C(=O)O 1332AB [0,2,0,0,0,0|1,0,0]=3 216 B7R0.13 CC(C)(CN)C(=O)O 2121AJ [0,2,0,0,0,0|1,0,0]=3 217 B7R0.13 CCC(C)(N)C(=O)O V6829 [0,2,0,0,0,0|1,0,0]=3 218 B7R0.13 CNC(C)(C)C(=O)O 5084AH [0,2,0,0,0,0|1,0,0]=3 219 B7R0.13 NCC(F)(F)C(=O)O 5777AJ [0,2,0,0,0,0|1,0,0]=3 220 B7R0.14 CC(C)(C)C(=O)CN 2819AC [0,2,0,0,0,0|2,0,0]=4 221 B7R0.14 CC(C)(C)\C(N)=N\O 3237AE [0,2,0,0,0,0|2,0,0]=4 222 B7R0.14 CNC(=O)C(C)(C)N 0533AF [0,2,0,0,0,0|2,0,0]=4 223 B7R0.14 O=S(=O)([O-])C(O)CCl 7352AL [0,2,0,0,0,0|1,0,1]=4 224 B7R0.14 O=S(=O)([O-])C(O)CCl 7353AL [0,2,0,0,0,0|1,0,1]=4 225 B7R0.15 CCC(OC)C(=O)O 8292AB [0,2,0,0,0,0|0,0,0]=2 226 B7R0.15 CN[C@H](CO)C(=O)O 0556AP [0,2,0,0,0,0|0,0,0]=2 227 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,0,0,1,0,1|1,0,1]=4 228 B7R1.2 C[C@@H]1COC(=O)O1 P610 [0,0,0,1,0,1|1,0,0]=3 229 B7R1.2 NC1CNC(=O)C1 4028AC [0,0,0,1,0,1|2,0,0]=4 230 B7R1.2 O=C1C=C(Br)CO1 V6658 [0,0,0,1,0,1|1,0,1]=4 231 B7R1.2 O=C1C=C(O)CC1 6113AE [0,0,0,1,0,1|1,0,1]=4 232 B7R1.2 O=C1C=C(O)CN1 6921AB [0,0,0,1,0,1|1,0,1]=4 233 B7R1.2 O=C1C=CC(O)O1 2926AL [0,0,0,1,0,1|1,0,1]=4 234 B7R1.2 O=C1CCC(I)C1 3588AC [0,0,0,1,0,1|2,0,0]=4 235 B7R1.2 O=C1CCC(O)N1 W1140 [0,0,0,1,0,1|1,0,0]=3 236 B7R1.2 O=C1OCC(Cl)O1 E933 [0,0,0,1,0,1|1,0,0]=3 237 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 8055AC [0,0,0,1,0,1|1,0,0]=3 238 B7R1.20 CC(=O)CC1CC1 5730AB [0,0,0,1,0,1|2,0,0]=4 239 B7R1.4 CC1=CCOC1=O 7576AD [0,1,0,1,0,0|1,0,1]=4 240 B7R1.4 CC1C=NNC1=O 1336AQ [0,1,0,1,0,0|2,0,0]=4 241 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,1,0,0|2,0,0]=4 242 B7R1.4 NC1CCNC1=O 0020AD [0,1,0,1,0,0|2,0,0]=4 243 B7R1.4 NC1COCC1O 5780AA [0,1,0,1,0,0|1,0,1]=4 244 B7R1.4 N[C@@H]1CCNC1=O X9462 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.4 N[C@@H]1COC[C@H]1O 8700AH [0,1,0,1,0,0|1,0,1]=4 246 B7R1.4 N[C@H]1CCSC1=O S502 [0,1,0,1,0,0|1,1,0]=4 247 B7R1.4 N[C@H]1COC[C@@H]1O 4688AJ [0,1,0,1,0,0|1,0,1]=4 248 B7R1.4 N[C@H]1COC[C@@H]1O 8683AH [0,1,0,1,0,0|1,0,1]=4 249 B7R1.4 O=C1CCCC1Br X5623 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.4 O=C1CCCC1Cl W7923 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.4 O=C1OCC[C@H]1O 8329AB [0,1,0,1,0,0|0,0,0]=2 252 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [0,1,0,1,0,0|1,0,1]=4 253 B7R1.4 O[C@H]1CNC[C@@H]1O Z4539 [0,1,0,1,0,0|1,0,1]=4 254 B7R1.18 NC(=O)C1CCC1 F371 [0,1,0,1,0,0|2,0,0]=4 255 B7R1.18 NC(=O)C1CCN1 Z9521 [0,1,0,1,0,0|2,0,0]=4 256 B7R1.18 NC(=O)C1CNC1 Z4019 [0,1,0,1,0,0|2,0,0]=4 257 B7R1.18 O=C(O)C1CCN1 0741AC [0,1,0,1,0,0|1,0,0]=3 258 B7R1.18 O=C(O)C1CCO1 3540AC [0,1,0,1,0,0|0,0,0]=2 259 B7R1.18 O=C(O)C1COC1 X3417 [0,1,0,1,0,0|0,0,0]=2 260 B7R1.19 CC(=O)C1(C)CO1 Y9156 [0,1,0,1,0,0|1,0,0]=3 261 B7R1.19 CC(=O)C1(F)CC1 7062AE [0,1,0,1,0,0|2,0,0]=4 262 B7R1.19 CC1(C(N)=O)CC1 W3452 [0,1,0,1,0,0|2,0,0]=4 263 B7R1.19 NC(=O)C1(Br)CC1 0213AB [0,1,0,1,0,0|2,0,0]=4 264 B7R1.19 O=C(O)C1(Br)CC1 4830AC [0,1,0,1,0,0|1,0,0]=3 265 B7R1.22 COC(=O)C1CN1 6374AE [0,1,0,1,0,0|1,0,0]=3 266 B7R1.22 N\C(=N/O)C1CC1 1453AB [0,1,0,1,0,0|2,0,0]=4 267 B7R1.22 [C@H]1(C(=O)OC)CO1 R140 [0,1,0,1,0,0|0,0,0]=2 268 B7R0.6 CC(=O)SCC(=O)O Y7206 [0,0,0,0,0,2|0,0,2]=4 269 B7R0.6 CC(=O)\C=C\C(=O)O Y9180 [0,0,0,0,0,2|0,0,2]=4 270 B7R0.6 CC(C)CCC(=O)O 9893AB [0,0,0,0,0,2|1,0,0]=3 271 B7R0.6 CC(C)NCC(N)=O V7257 [0,0,0,0,0,2|2,0,0]=4 272 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,0,0,0,0,2|2,0,0]=4