0 B7R0.16 CC(C)=C(C)C(C)C 5174AL [0,0,0,0,0,0|3,0,1]=4 1 B7R0.16 CC(C)C(=O)C(=O)O 1796AC [0,0,0,0,0,0|1,0,1]=2 2 B7R0.16 CC(C)C(C)C(=O)O 6994AA [0,0,0,0,0,0|1,0,0]=1 3 B7R0.16 CC(C)C(N)C(N)=O 3528AF [0,0,0,0,0,0|1,0,0]=1 4 B7R0.16 CC(C)[C@@H](Br)C(=O)O N107 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.16 CC(C)[C@H](Br)C(=O)O M886 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.16 CC(C)[C@H](N)C(N)=O 7258AH [0,0,0,0,0,0|1,0,0]=1 7 B7R0.16 C[C@@H](C(=O)O)N(C)C 1280AL [0,0,0,0,0,0|2,0,0]=2 8 B7R0.16 NC(=O)C(N)C(N)=O W7407 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 CC(=O)NC(C)C X8984 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.2 CC(C)CC(C)N X3873 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.2 CC(C)NC(N)=O X3415 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.2 CC(C)OC(N)=O 7274AF [1,0,0,0,0,0|2,0,0]=3 13 B6R0.2 CC(Cl)CC(=O)O 7238AF [1,0,0,0,0,0|1,0,0]=2 14 B6R0.2 CC(N)CC(=O)O 3162AL [1,0,0,0,0,0|1,0,0]=2 15 B6R0.2 CC(O)CC(C)O 5338AL [1,0,0,0,0,0|2,0,1]=4 16 B6R0.2 CN(C)CC(N)=S 1262AJ [1,0,0,0,0,0|2,1,0]=4 17 B6R0.2 C[C@@H](N)CC(=O)O Z5926 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.2 C[C@@H](O)C[C@@H](C)O 7396AJ [1,0,0,0,0,0|2,0,1]=4 19 B6R0.2 C[C@H](N)CC(=O)O W5861 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.2 C[C@H](O)C[C@H](C)O 7398AJ [1,0,0,0,0,0|2,0,1]=4 21 B6R0.3 CC(C)C(N)=NO 3115AC [1,0,0,0,0,0|1,0,1]=3 22 B6R0.3 CC(CN)C(=O)O B714 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.3 CC(O)C(O)CO 4398AL [1,0,0,0,0,0|2,0,1]=4 24 B6R0.3 CCC(=O)C(C)=O 7386AF [1,0,0,0,0,0|2,0,1]=4 25 B6R0.3 CCC(Br)C(=O)Cl 5533AL [1,0,0,0,0,0|2,0,0]=3 26 B6R0.3 CCC(Cl)C(=O)O 7236AF [1,0,0,0,0,0|1,0,0]=2 27 B6R0.3 CCC(O)C(=O)O Z2570 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.3 CCC(O)C(C)C 8275AB [1,0,0,0,0,0|2,0,1]=4 29 B6R0.3 CC[C@H](N)C(N)=O V3235 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.3 CNC(C)C(=O)O 0549AP [1,0,0,0,0,0|2,0,0]=3 31 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [1,0,0,0,0,0|2,0,0]=3 32 B6R0.3 C[C@H](CN)C(=O)O 5992AA [1,0,0,0,0,0|2,0,0]=3 33 B6R0.3 C[C@H](CO)C(=O)O 9933AA [1,0,0,0,0,0|2,0,0]=3 34 B6R0.3 C[C@H](O)[C@@H](N)CO W6337 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.3 NC(=O)C(Cl)CCl 5220AL [1,0,0,0,0,0|3,0,0]=4 36 B6R0.3 NC(CCl)C(=O)O 1396AE [1,0,0,0,0,0|1,0,0]=2 37 B6R0.3 NCC(F)C(=O)O 5631AL [1,0,0,0,0,0|2,0,0]=3 38 B6R0.3 NCC(N)C(=O)O 3293AL [1,0,0,0,0,0|1,0,0]=2 39 B6R0.3 NCC(N)C(=O)O V0517 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.3 NCC(O)C(=O)O X2972 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.3 N[C@@H](CCl)C(=O)O W6670 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.3 N[C@H](CCl)C(=O)O 3161AL [1,0,0,0,0,0|1,0,0]=2 43 B6R0.3 O=C(O)C(=O)CBr 7040AD [1,0,0,0,0,0|2,0,1]=4 44 B8R0.2 CC(C)N(C)C(=O)CCl 2328AE [0,1,0,0,0,0|3,0,0]=4 45 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O E108 [0,1,0,0,0,0|0,0,0]=1 46 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O 9212AJ [0,1,0,0,0,0|1,0,0]=2 47 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O V8168 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O X5876 [0,1,0,0,0,0|1,0,0]=2 49 B8R0.2 COC(=O)C(N)C(C)O W7414 [0,1,0,0,0,0|1,0,0]=2 50 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O 3963AB [0,1,0,0,0,0|1,0,0]=2 51 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O W8506 [0,1,0,0,0,0|1,0,0]=2 52 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O 5707AB [0,1,0,0,0,0|0,0,0]=1 53 B8R0.2 [C@@H](O)(C(=O)OC)C(C)C 9861AL [0,1,0,0,0,0|1,0,0]=2 54 B8R0.18 CN[C@H](C(=O)O)C(C)C 7209AH [0,1,0,0,0,0|0,0,0]=1 55 B8R0.18 CN[C@H](C(N)=O)C(C)C Z9432 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 1248AL [0,1,0,0,0,0|1,0,0]=2 57 B8R0.27 CC(C)(F)C(Br)C(=O)O 4523AE [0,1,0,0,0,0|1,0,0]=2 58 B8R0.27 NC(C(=O)O)C(F)(F)F V0377 [0,1,0,0,0,0|2,0,0]=3 59 B8R0.37 CC(C)C(C)(N)C(=O)O V4779 [0,1,0,0,0,0|0,0,0]=1 60 B8R0.37 CC(C)[C@@](C)(N)C(=O)O Z5916 [0,1,0,0,0,0|0,0,0]=1 61 B8R0.37 CC(C)[C@](C)(N)C(=O)O Z5917 [0,1,0,0,0,0|0,0,0]=1 62 B8R0.37 CC(Cl)C(Cl)(Cl)C(=O)O X0222 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.50 CC1CCC(=O)C1=O 6795AA [0,0,0,1,0,0|2,0,1]=4 64 B8R1.50 O=C1COC(=O)C1Cl 6019AL [0,0,0,1,0,0|2,0,1]=4 65 B8R1.54 NC(C(=O)O)C1CC1 Z8573 [0,0,0,1,0,0|0,0,0]=1 66 B8R1.77 CC1(C)C[C@@H]1C(=O)O Z4170 [0,0,0,1,0,0|1,0,0]=2 67 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O 2368AB [0,0,0,0,0,1|1,0,2]=4 68 B8R0.23 C=C(Br)C[C@H](N)C(=O)O 7577AA [0,0,0,0,0,1|1,0,2]=4 69 B8R0.23 CC(=O)CC(=O)C(C)C 8868AE [0,0,0,0,0,1|2,0,1]=4 70 B8R0.23 CC(C)C(N)CC(=O)O X3317 [0,0,0,0,0,1|0,0,0]=1 71 B8R0.23 CC(C)CC(=O)C(=O)[O-] 5986AC [0,0,0,0,0,1|1,0,2]=4 72 B8R0.23 CC(C)CC(Br)C(=O)O X2075 [0,0,0,0,0,1|1,0,0]=2 73 B8R0.23 CC(C)CC(N)C(N)=O 4981AH [0,0,0,0,0,1|1,0,0]=2 74 B8R0.23 CC(C)CC(O)C(=O)O C466 [0,0,0,0,0,1|1,0,0]=2 75 B8R0.23 CC(C)C[C@@H](N)C(N)=O V7838 [0,0,0,0,0,1|1,0,0]=2 76 B8R0.23 CC(C)C[C@@H](O)C(=O)O V4198 [0,0,0,0,0,1|1,0,0]=2 77 B8R0.23 CC(C)C[C@H](Cl)C(=O)O Z6036 [0,0,0,0,0,1|1,0,0]=2 78 B8R0.23 CC(C)NC(=O)C(=O)O 9278AD [0,0,0,0,0,1|1,0,1]=3 79 B8R0.23 CC(C)[C@@H](N)CC(=O)O W6092 [0,0,0,0,0,1|0,0,0]=1 80 B8R0.23 CC(C)[C@H](N)CC(=O)O 1215AL [0,0,0,0,0,1|0,0,0]=1 81 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O W5530 [0,0,0,0,0,1|1,0,0]=2 82 B8R0.23 NC(CC(=O)O)C(=O)[O-] 3294AL [0,0,0,0,0,1|2,0,1]=4 83 B8R0.23 NC(CC(=O)[O-])C(=O)O X5496 [0,0,0,0,0,1|2,0,1]=4 84 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 6072AH [0,0,0,0,0,1|2,0,1]=4 85 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 7299AH [0,0,0,0,0,1|2,0,1]=4 86 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 7654AH [0,0,0,0,0,1|2,0,1]=4 87 B5R0.1 C#CCC(C)C 8172AJ [2,0,0,0,0,0|1,0,1]=4 88 B5R0.1 C=C(C)CCC 5700AL [2,0,0,0,0,0|2,0,0]=4 89 B5R0.1 CC(C)CCI X5313 [2,0,0,0,0,0|1,0,1]=4 90 B5R0.1 CC(C)CNN Z1645 [2,0,0,0,0,0|2,0,0]=4 91 B5R0.1 CC(C)OC=O 7262AF [2,0,0,0,0,0|1,0,0]=3 92 B5R0.1 CC(N)CCO Z2685 [2,0,0,0,0,0|1,0,1]=4 93 B5R0.1 CN(C)CC=O 4924AA [2,0,0,0,0,0|1,0,0]=3 94 B5R0.1 CNCC(=O)O 9764AB [2,0,0,0,0,0|1,0,0]=3 95 B5R0.1 COCC(C)=O U020 [2,0,0,0,0,0|2,0,0]=4 96 B5R0.1 CSCC(C)=O Y1373 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.1 C[C@H](N)CCO W7371 [2,0,0,0,0,0|1,0,1]=4 98 B5R0.1 NCCC(N)=O 6432AB [2,0,0,0,0,0|2,0,0]=4 99 B5R0.1 NCCS(=O)O 0301AQ [2,0,0,0,0,0|2,0,0]=4 100 B5R0.1 O=C(O)CCI 7031AF [2,0,0,0,0,0|1,0,0]=3 101 B5R0.3 C=CC(C)CC 6094AL [2,0,0,0,0,0|2,0,0]=4 102 B5R0.3 C=CC(O)CC 7733AJ [2,0,0,0,0,0|2,0,0]=4 103 B5R0.3 C=C[C@@H](N)CO 3384AB [2,0,0,0,0,0|2,0,0]=4 104 B5R0.3 C=C[C@H](N)CO W4532 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.3 CCC(C)C=O 7969AJ [2,0,0,0,0,0|1,0,0]=3 106 B5R0.3 CC[C@H](O)CO 1422AC [2,0,0,0,0,0|1,0,1]=4 107 B5R0.3 CC\C(N)=N\O 9295AD [2,0,0,0,0,0|1,0,1]=4 108 B5R0.3 NC(CO)CO V0534 [2,0,0,0,0,0|1,0,1]=4 109 B5R0.3 O=CC(O)CO 6635AH [2,0,0,0,0,0|2,0,0]=4 110 B5R0.5 CC(=O)[C@H](C)N 2350AA [2,0,0,0,0,0|1,0,0]=3 111 B5R0.5 CC(C)C(=O)[O-] 7249AF [2,0,0,0,0,0|1,0,1]=4 112 B5R0.5 CC(C)C(C)O 6096AL [2,0,0,0,0,0|1,0,0]=3 113 B5R0.5 CC(C)S(=O)[O-] 4057AH [2,0,0,0,0,0|2,0,0]=4 114 B5R0.5 CC(Cl)C(N)=O 9013AD [2,0,0,0,0,0|1,0,1]=4 115 B5R0.5 CC(N)C(N)=O 9942AE [2,0,0,0,0,0|1,0,0]=3 116 B5R0.5 CC(N)C(N)=O V6080 [2,0,0,0,0,0|1,0,0]=3 117 B5R0.5 CC(O)C(=O)[O-] 7038AF [2,0,0,0,0,0|1,0,1]=4 118 B5R0.5 CC(O)C(=O)[O-] O583 [2,0,0,0,0,0|1,0,1]=4 119 B5R0.5 C[C@@H](N)C(N)=O Z4641 [2,0,0,0,0,0|1,0,0]=3 120 B5R0.5 O=C(O)C(Br)Br 6811AF [2,0,0,0,0,0|2,0,0]=4 121 B7R0.2 CC(C)NC(=O)CN 6712AE [1,1,0,0,0,0|2,0,0]=4 122 B7R0.2 CC(C)OC(=O)CN Y6052 [1,1,0,0,0,0|2,0,0]=4 123 B7R0.2 CCC(=O)CC(C)C 9385AB [1,1,0,0,0,0|1,0,0]=3 124 B7R0.2 CCC(=O)OC(C)C 7522AF [1,1,0,0,0,0|2,0,0]=4 125 B7R0.2 CCC(C)OC(C)=O 7525AF [1,1,0,0,0,0|2,0,0]=4 126 B7R0.2 CCC(N)CC(=O)O W4035 [1,1,0,0,0,0|1,0,0]=3 127 B7R0.2 CCN(C)CC(=O)O 9048AE [1,1,0,0,0,0|1,0,0]=3 128 B7R0.2 CC[C@H](C)CC(=O)O 4847AJ [1,1,0,0,0,0|0,0,0]=2 129 B7R0.2 COC(=O)CC(C)C 8842AJ [1,1,0,0,0,0|0,0,0]=2 130 B7R0.2 COC(=O)CN(C)C X7323 [1,1,0,0,0,0|1,0,0]=3 131 B7R0.2 C\C(CC(C)C)=N/O 6599AL [1,1,0,0,0,0|1,0,0]=3 132 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [1,1,0,0,0,0|1,0,0]=3 133 B7R0.2 N[C@@H](CO)CC(=O)O W3594 [1,1,0,0,0,0|1,0,0]=3 134 B7R0.2 N[C@H](CO)CC(=O)O Z5676 [1,1,0,0,0,0|1,0,0]=3 135 B7R0.9 CC(C)(C)NC(N)=O 7334AF [1,1,0,0,0,0|2,0,0]=4 136 B7R0.5 C=CC[C@@H](N)C(=O)O 1695AA [1,1,0,0,0,0|0,0,1]=3 137 B7R0.5 CC(C)C(N)CCO 5799AJ [1,1,0,0,0,0|0,0,1]=3 138 B7R0.5 CCC[C@H](N)C(N)=O Z6420 [1,1,0,0,0,0|1,0,0]=3 139 B7R0.5 COCC(N)C(=O)O Z1926 [1,1,0,0,0,0|0,0,0]=2 140 B7R0.5 CSC[C@H](N)C(=O)O V1222 [1,1,0,0,0,0|0,0,0]=2 141 B7R0.5 NC(CCS)C(=O)O D600 [1,1,0,0,0,0|0,0,0]=2 142 B7R0.5 NCCC(N)C(=O)O X3169 [1,1,0,0,0,0|0,0,0]=2 143 B7R0.5 NCC[C@H](N)C(=O)O 0470AP [1,1,0,0,0,0|0,0,0]=2 144 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [1,1,0,0,0,0|0,0,0]=2 145 B7R0.10 CCC(C)C(=O)NN 8409AE [1,1,0,0,0,0|2,0,0]=4 146 B7R0.10 CC[C@@H](C)[C@@H](N)CO G876 [1,1,0,0,0,0|0,0,1]=3 147 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [1,1,0,0,0,0|1,0,0]=3 148 B7R0.10 CNC(C)C(=O)OC 4207AJ [1,1,0,0,0,0|2,0,0]=4 149 B7R0.10 CN[C@@H](C)C(=O)OC V5398 [1,1,0,0,0,0|2,0,0]=4 150 B7R0.10 COC(=O)C(C)OC X3976 [1,1,0,0,0,0|2,0,0]=4 151 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [1,1,0,0,0,0|2,0,0]=4 152 B7R0.10 COC(=O)[C@@H](O)CO X8639 [1,1,0,0,0,0|2,0,0]=4 153 B7R0.10 COC(=O)[C@H](C)CBr 4182AL [1,1,0,0,0,0|2,0,0]=4 154 B7R0.10 COC(=O)[C@H](C)CO X3275 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.10 COC(=O)[C@H](N)CCl 2170AA [1,1,0,0,0,0|1,0,0]=3 156 B7R0.10 COC(=O)[C@H](N)CS 8434AE [1,1,0,0,0,0|1,0,0]=3 157 B7R0.10 COC(=O)[C@H](O)CO 9042AH [1,1,0,0,0,0|2,0,0]=4 158 B7R0.10 O=C(CO)[C@@H](O)CO 8755AJ [1,1,0,0,0,0|2,0,0]=4 159 B7R0.13 CC(C)(CF)C(=O)O 9836AB [1,1,0,0,0,0|2,0,0]=4 160 B7R0.13 CC(C)(CN)C(=O)O 2121AJ [1,1,0,0,0,0|2,0,0]=4 161 B7R0.13 CCC(C)(C)C(C)=O 0596AB [1,1,0,0,0,0|2,0,0]=4 162 B7R0.13 CCC(F)(F)C(=O)O 8005AD [1,1,0,0,0,0|1,0,0]=3 163 B7R0.13 CC[C@@](C)(N)C(=O)O Q389 [1,1,0,0,0,0|0,0,0]=2 164 B7R0.14 CC(C)(C)C(N)CO 1480AJ [1,1,0,0,0,0|0,0,1]=3 165 B7R0.15 CCC(CC)C(C)=O 6697AE [1,1,0,0,0,0|2,0,0]=4 166 B7R0.15 CCC(NC)C(N)=O 1348AD [1,1,0,0,0,0|1,0,0]=3 167 B7R0.15 CN[C@@H](CO)C(=O)O 0565AP [1,1,0,0,0,0|1,0,0]=3 168 B7R0.15 CN[C@@H](CO)C(=O)O Z5780 [1,1,0,0,0,0|1,0,0]=3 169 B9R0.10 NC(CC(=O)O)C(F)(F)F 2958AF [0,1,0,0,0,1|2,0,0]=4 170 B9R0.10 NC(CC(=O)O)C(F)(F)F 6064AE [0,1,0,0,0,1|2,0,0]=4 171 B9R0.11 CC(C)CC(C)(N)C(=O)O 6630AH [0,1,0,0,0,1|0,0,0]=2 172 B9R0.11 CC(C)C[C@](C)(N)C(=O)O 7059AH [0,1,0,0,0,1|0,0,0]=2 173 B9R0.23 CC(C)C[C@H](N)C(=O)CCl 7883AB [0,1,0,0,0,1|1,0,0]=3 174 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Z5767 [0,1,0,0,0,1|0,0,0]=2 175 B9R0.23 COC(=O)C(=O)CC(C)C X2959 [0,1,0,0,0,1|1,0,1]=4 176 B9R0.23 COC(=O)[C@@H](N)CC(=O)O V1217 [0,1,0,0,0,1|1,0,1]=4 177 B9R0.39 CNC(CC(C)C)C(=O)O Z5786 [0,1,0,0,0,1|0,0,0]=2 178 B9R0.42 CCC(C)NC(=O)C(=O)O 9984AE [0,1,0,0,0,1|1,0,1]=4 179 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O Y1733 [0,1,0,0,0,1|1,0,1]=4 180 B9R0.42 COC(=O)C[C@@H](N)C(=O)O V1600 [0,1,0,0,0,1|1,0,1]=4 181 B9R0.6 CCOC(=O)C(N)C(C)=O W4269 [0,2,0,0,0,0|1,0,1]=4 182 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O 5285AB [0,2,0,0,0,0|1,0,0]=3 183 B9R0.25 COC(=O)C(N)C(F)(F)F 6179AA [0,2,0,0,0,0|2,0,0]=4 184 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O 0559AP [0,2,0,0,0,0|0,0,0]=2 185 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C 2728AB [0,2,0,0,0,0|0,0,0]=2 186 B9R0.72 CC(C)(C)[C@H](CN)C(=O)O W5788 [0,2,0,0,0,0|0,0,0]=2 187 B7R1.2 CC1CCC(=O)N1 1659AA [1,0,0,1,0,0|2,0,0]=4 188 B7R1.2 CC1COC(=O)N1 5156AD [1,0,0,1,0,0|1,0,0]=3 189 B7R1.2 C[C@@H]1COC(=O)N1 5441AB [1,0,0,1,0,0|1,0,0]=3 190 B7R1.2 C[C@H]1COC(=O)N1 5440AB [1,0,0,1,0,0|1,0,0]=3 191 B7R1.2 O=C1OCC(Cl)O1 E933 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.4 CC1CCNC1=O Y8455 [1,0,0,1,0,0|2,0,0]=4 193 B7R1.4 CC1CCOC1=O W3659 [1,0,0,1,0,0|1,0,0]=3 194 B7R1.4 NC1CCCC1O W9232 [1,0,0,1,0,0|1,0,1]=4 195 B7R1.4 NC1CCNC1=O 0020AD [1,0,0,1,0,0|1,0,0]=3 196 B7R1.4 NC1CONC1=O Z5032 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.4 N[C@@H]1CCC[C@@H]1O V0969 [1,0,0,1,0,0|1,0,1]=4 198 B7R1.4 N[C@@H]1CCC[C@H]1O V0968 [1,0,0,1,0,0|1,0,1]=4 199 B7R1.4 N[C@@H]1COC[C@@H]1N X8658 [1,0,0,1,0,0|1,0,1]=4 200 B7R1.4 N[C@@H]1COC[C@H]1O 4689AJ [1,0,0,1,0,0|1,0,1]=4 201 B7R1.4 N[C@H]1CCC[C@H]1O V0971 [1,0,0,1,0,0|1,0,1]=4 202 B7R1.4 O=C1OCCC1O 0071AB [1,0,0,1,0,0|1,0,0]=3 203 B7R1.4 O=C1OCC[C@H]1O 8329AB [1,0,0,1,0,0|1,0,0]=3 204 B7R1.18 CC(=O)C1CCC1 9513AD [1,0,0,1,0,0|2,0,0]=4 205 B7R1.18 O=C(O)C1CCN1 X2014 [1,0,0,1,0,0|0,0,0]=2 206 B7R1.18 O=C(O)C1COC1 X3417 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.18 O=C(O)[C@@H]1CCN1 D297 [1,0,0,1,0,0|0,0,0]=2 208 B7R1.18 O=C(O)[C@H]1CCN1 Z4994 [1,0,0,1,0,0|0,0,0]=2 209 B7R1.19 NC(=O)C1(Br)CC1 0213AB [1,0,0,1,0,0|2,0,0]=4 210 B7R1.19 O=C(O)C1(Br)CC1 4830AC [1,0,0,1,0,0|1,0,0]=3 211 B7R1.22 N\C(=N/O)C1CC1 W6626 [1,0,0,1,0,0|1,0,1]=4 212 B9R1.35 NC1CCC(C(=O)O)C1 9225AF [0,0,0,1,0,1|2,0,0]=4 213 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Z7280 [0,0,0,1,0,1|2,0,0]=4 214 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 8248AA [0,0,0,1,0,1|1,0,0]=3 215 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Y6731 [0,0,0,1,0,1|2,0,0]=4 216 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 S949 [0,0,0,1,0,1|1,0,0]=3 217 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 S923 [0,0,0,1,0,1|1,0,0]=3 218 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 Z5573 [0,0,0,1,0,1|1,0,0]=3 219 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 W9014 [0,0,0,1,0,1|1,0,0]=3 220 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Z1691 [0,0,0,1,0,1|1,0,1]=4 221 B9R1.112 NC(CC1CC1)C(=O)O 7919AA [0,0,0,1,0,1|0,0,0]=2 222 B9R1.137 C\C(=C\C(=O)O)C1CC1 1947AC [0,0,0,1,0,1|1,0,1]=4 223 B9R1.137 NC(CC(=O)O)C1CC1 5786AJ [0,0,0,1,0,1|0,0,0]=2 224 B9R1.164 CC1(C)CC(C(=O)O)C1 4278AB [0,0,0,1,0,1|1,0,0]=3 225 B9R1.41 CN1CCC[C@@H]1C(=O)O V7386 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.41 CN1CCC[C@H]1C(=O)O 1661AL [0,1,0,1,0,0|2,0,0]=4 227 B9R1.41 NC1CCCC1C(=O)O 3422AA [0,1,0,1,0,0|2,0,0]=4 228 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 9632AA [0,1,0,1,0,0|2,0,0]=4 229 B7R0.6 C=C(C)CCC(=O)O 0114AA [1,0,0,0,0,1|0,0,2]=4 230 B7R0.6 CC(C)OCC(=O)O 0549AE [1,0,0,0,0,1|0,0,0]=2 231 B7R0.6 CC(Cl)CCC(=O)Cl 6146AJ [1,0,0,0,0,1|2,0,0]=4 232 B7R0.6 C[S+](C)CCC(=O)O 4030AL [1,0,0,0,0,1|1,0,0]=3 233 B9R0.53 CC(=O)NC(C)OC(C)C 8305AL [0,0,0,0,0,2|2,0,0]=4 234 B9R0.53 CC(C)C[C@H](N)CC(=O)O X3295 [0,0,0,0,0,2|0,0,0]=2