0 B7R0.7 CC#CC(=O)OCC 33793 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.7 CCCC(=O)OCCl F20378 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.7 CCCC(N)CCC 28065 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.7 CCCC(O)CCC H10221 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.7 CCCN(C)CCC D95729 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.7 CCC[C@H](C)CCO T71716 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.7 CCC[C@H](S)CCO D84193 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.7 CCNC(=O)NCC F11262 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.7 CCOC(=O)CCBr F11254 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.7 CCOC(=O)CCCl D89381 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.7 CCOC(=O)CCI 23721 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.7 CCOC(=O)CCN AC7506 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.7 CCOC(=O)CCO 30936 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.7 CCOC(=O)CCS D87716 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.7 CCOC(=O)CNC 73271 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.7 CCOC(=O)COC F11239 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.7 CCOC(=O)CSC I10203 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.7 CCOC(=O)OCC D97668 [0,0,0,0,0,0|1,0,1]=2 18 B7R0.7 CCOC(=O)OCCl 23781 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.7 CCOP(Cl)OCC H10781 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.7 CCO[PH](=O)OCC 28436 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.7 CCO\C(C)=N\C#N C10080 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.1 CCCC(=O)CC D90801 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.1 CCC[C@@H](Cl)CC D76318 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.1 CCC[C@H](C)CCl D89415 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.1 CCC[C@H](N)CO A10468 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.1 CCC[C@H](O)CO 73676 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.1 CCOC(=N)CC W15737 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.1 CCOC(=O)CN C93496 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.1 CCOC(=O)CO 39380 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.1 CCOC(=O)CS F21271 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.1 CCOC(=O)NC D91332 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.1 CCOC(=O)OC A11149 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.1 CCO[C@@H](C)CC D88933 [1,0,0,0,0,0|0,0,0]=1 34 B6R0.1 CCO\C(C)=N\O 23036 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.1 CCO\C(C)=N\O H10740 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.1 CO[C@@H](C)CCO D77758 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.1 C[C@H](CO)CCN 78036 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.1 C[C@H](CO)CCO 63982 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.1 C[C@H](CO)CCO 70021 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.6 CCCCCCI F20355 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.6 CCCCCCN F19564 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.6 CCCCCNC D91584 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.6 CCCNCCC D89745 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.6 CCNCCCN D82016 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.6 CCNCCCO 31655 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.6 CCNCCOC H11999 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.6 CCOCCCCl D95770 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.6 CCOCCCO D95933 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.6 COCCOCCl H11303 [1,0,0,0,0,0|3,0,0]=4 50 B8R0.1 CCC#CC(=O)OCC AB21618 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.1 CCOC(=O)CCCBr F11167 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.1 CCOC(=O)CCCI 74907 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.1 CCOC(=O)CCCN 20516 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.1 CCOC(=O)CCNC 30981 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.1 CCOC(=O)CCOC D91424 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.1 CCOC(=O)CCSC D90571 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.1 CCOC(=O)NCCCl 61494 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.1 CCOCC(=O)OCC D81905 [0,1,0,0,0,0|1,0,1]=3 59 B8R0.3 CCC[C@H](C)C(=O)OC D92993 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.3 CCOC(=O)C(=O)CC RB3244 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.3 CCOC(=O)[C@@H](Br)CC D70575 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.3 CCOC(=O)[C@@H](N)CC 29271 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.3 CCOC(=O)[C@@H](N)CC 90200 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.3 CCOC(=O)[C@@H](N)CC D84487 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.5 CC(C)OC(=O)OCCl D77787 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.5 CCOC(=O)C[C@H](C)Br 29510 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.5 CCOC(=O)C[C@H](C)N A11039 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.5 CCOC(=O)C[C@H](C)N AC9275 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.5 CCOC(=O)C[C@H](C)O D70263 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.5 CCOC(=O)C[C@H](C)O F16431 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.5 CCOC(=O)C[C@H](C)O SC1027 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.5 CCOC(=O)O[C@H](C)Cl AC7896 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.22 C#CC(OCC)OCC 22834 [0,1,0,0,0,0|0,0,1]=2 74 B8R0.22 C=CC(OCC)OCC F20955 [0,1,0,0,0,0|0,0,1]=2 75 B8R0.22 CCCC(C#N)CCC F19469 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.22 CCC[C@@H](CCO)SC D91575 [0,1,0,0,0,0|3,0,0]=4 77 B8R0.22 CCOC(C#N)OCC 21047 [0,1,0,0,0,0|0,0,1]=2 78 B8R0.22 CCOC(CBr)OCC 67695 [0,1,0,0,0,0|0,0,0]=1 79 B8R0.22 CCOC(CC)OCC D97857 [0,1,0,0,0,0|0,0,0]=1 80 B8R0.22 CCOC(CCl)OCC D78201 [0,1,0,0,0,0|0,0,0]=1 81 B8R0.22 CCOC(CN)OCC F11269 [0,1,0,0,0,0|0,0,0]=1 82 B8R0.22 CCOC(CO)OCC 28344 [0,1,0,0,0,0|0,0,0]=1 83 B8R0.30 CCOP(=O)(O)OCC F15034 [0,1,0,0,0,0|2,0,0]=3 84 B8R0.30 CCOP(=O)([O-])OCC D90614 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.30 CCOP(=S)(Cl)OCC D97728 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.30 CCOP(C)(=O)OCC D93192 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.30 CCOP(N)(=O)OCC D90052 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.4 CC1CC(O)CCO1 32162 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.4 CC1CCCC(C)N1 F10355 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.4 CC1CCCC(N)C1 33432 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.4 CC1CNCC(C)C1 D77718 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.4 CC1CNCC(C)N1 H11174 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.4 CC1CNCC(C)N1 P15326 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.4 CC1COCC(C)N1 70362 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.4 C[C@H]1CNC[C@@H](C)N1 P10485 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.4 C[C@H]1CNC[C@@H](C)O1 70460 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.4 C[C@H]1CNC[C@H](C)O1 77574 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.4 C[C@H]1C[C@@H](O)CCO1 D78943 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.8 BrCCC1OCCO1 79535 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.8 CCO[C@H]1CCNC1 31293 [0,0,0,1,0,0|2,0,0]=3 102 B8R1.8 CNC[C@H]1CCCN1 P18037 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.8 COC[C@H]1CCCN1 11150 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.8 NCCC1CCCC1 23538 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.8 OCCC1CCCC1 P10032 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.22 C=C1OCCCCO1 A10906 [0,0,0,1,0,0|0,0,2]=3 107 B8R1.22 C[C@H]1CCCNCC1 72644 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.22 ClC1CCCCCC1 D81846 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.22 NC1CCCCCC1 F19821 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.22 O=C1CCCCCO1 D70255 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.22 OC1CCCCCC1 D89285 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.37 CCOC(=N)C1CC1 AC2329 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.37 CCOC(=O)C1CC1 FD10459 [0,0,0,1,0,0|2,0,1]=4 114 B5R0.1 C=C(C)OCC 78535 [2,0,0,0,0,0|0,0,2]=4 115 B5R0.1 CC=C[C@H](C)O D84201 [2,0,0,0,0,0|1,0,1]=4 116 B5R0.1 CCC[C@H](C)N 28967 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.1 CCC[C@H](C)O RB3003 [2,0,0,0,0,0|1,0,0]=3 118 B5R0.1 CCC[C@H](C)O T72186 [2,0,0,0,0,0|1,0,0]=3 119 B5R0.1 CCNC(C)C D77967 [2,0,0,0,0,0|1,0,0]=3 120 B5R0.1 CCOC(C)=N D70134 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.1 CCO[SiH](C)C I11477 [2,0,0,0,0,0|0,1,0]=3 122 B5R0.1 COC[C@H](C)O 35103 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 COC[C@H](C)O O10158 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.1 C[C@H](O)CCO 55765 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 C[C@H](O)CCO O10183 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 C[NH2+]CC(C)C D91375 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.2 CCCCON H11431 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.2 CCCNCC F21346 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.2 CCNCCN AB11316 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.2 CCNCCO 20098 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.2 CCOCCCl 29431 [2,0,0,0,0,0|1,0,0]=3 132 B5R0.2 CCSCCCl D89330 [2,0,0,0,0,0|1,1,0]=4 133 B5R0.2 CCSSCC D89662 [2,0,0,0,0,0|0,2,0]=4 134 B5R0.2 CNCCOC D70346 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.2 COCCCBr F11235 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.2 COCCCCl H11766 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.2 COCCCN D81053 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.2 COCCOC D81126 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.2 COCCOC D83907 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.2 COCCOC F16635 [2,0,0,0,0,0|2,0,0]=4 141 B5R0.2 C\C=C/CCC D90857 [2,0,0,0,0,0|1,0,1]=4 142 B5R0.2 ClCCOCCl 29087 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.3 CC(CBr)CBr 90917 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.3 CC(CN)CN T72131 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.3 CC(CO)CO D71170 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.3 CCC(Br)CC H11324 [2,0,0,0,0,0|1,0,0]=3 147 B5R0.3 CCC(N)CC S12161 [2,0,0,0,0,0|1,0,0]=3 148 B5R0.3 CCN(C)CC D97580 [2,0,0,0,0,0|1,0,0]=3 149 B5R0.3 CCS(=O)CC D81870 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.3 CC[C@H](Br)CBr D89608 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.3 CC[C@H](C)CBr A10884 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.3 CC[C@H](C)CCl D89411 [2,0,0,0,0,0|1,0,0]=3 153 B5R0.3 CC[C@H](C)CI D80608 [2,0,0,0,0,0|1,0,0]=3 154 B5R0.3 CC[C@H](C)CN F16114 [2,0,0,0,0,0|1,0,0]=3 155 B5R0.3 CC[C@H](C)CO 88664 [2,0,0,0,0,0|1,0,0]=3 156 B5R0.3 CC[C@H](C)CS D91431 [2,0,0,0,0,0|1,0,0]=3 157 B5R0.3 CC[C@H](C)NC D95752 [2,0,0,0,0,0|1,0,0]=3 158 B5R0.3 CC[C@H](C)NN 72197 [2,0,0,0,0,0|2,0,0]=4 159 B5R0.3 CC[C@H](N)CO 23160 [2,0,0,0,0,0|2,0,0]=4 160 B5R0.3 CC[C@H](N)CO D87517 [2,0,0,0,0,0|2,0,0]=4 161 B5R0.3 CC[C@H](N)CO F14569 [2,0,0,0,0,0|2,0,0]=4 162 B5R0.3 CC[C@H](O)CN D97409 [2,0,0,0,0,0|2,0,0]=4 163 B5R0.3 CC[C@H](O)CO C10640 [2,0,0,0,0,0|2,0,0]=4 164 B5R0.3 CC[C@H](O)CO O10222 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.3 CO[C@@H](C)CN 91004 [2,0,0,0,0,0|1,0,0]=3 166 B5R0.3 CO[C@@H](C)CO 29137 [2,0,0,0,0,0|1,0,0]=3 167 B5R0.3 CO[C@@H](C)CO 35966 [2,0,0,0,0,0|1,0,0]=3 168 B5R0.3 C[C@@H](CN)CO 78445 [2,0,0,0,0,0|2,0,0]=4 169 B5R0.3 C[C@@H](CN)CO AB10326 [2,0,0,0,0,0|2,0,0]=4 170 B7R0.2 CCC(C)CC(C)N 40016 [1,1,0,0,0,0|1,0,0]=3 171 B7R0.2 CCC(C)CC(C)N D88161 [1,1,0,0,0,0|1,0,0]=3 172 B7R0.3 CCCOC(=O)OC D83836 [1,1,0,0,0,0|1,0,1]=4 173 B7R0.3 CCOC[C@@H](O)CO H11846 [1,1,0,0,0,0|2,0,0]=4 174 B7R0.5 CCOC(=O)[C@H](C)Br D96513 [1,1,0,0,0,0|1,0,1]=4 175 B7R0.5 CCOC(=O)[C@H](C)F 28664 [1,1,0,0,0,0|1,0,1]=4 176 B7R0.5 CCOC(=O)[C@H](C)F AT11657 [1,1,0,0,0,0|1,0,1]=4 177 B7R0.5 CCOC(=O)[C@H](C)I D90599 [1,1,0,0,0,0|1,0,1]=4 178 B7R0.5 CCOC(=O)[C@H](C)N 75100 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.5 CCOC(=O)[C@H](C)N FD21011 [1,1,0,0,0,0|1,0,1]=4 180 B7R0.5 CCOC(=O)[C@H](C)N FD21071 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.5 CCOC(=O)[C@H](C)O 35087 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.5 CCOC(=O)[C@H](C)S D81899 [1,1,0,0,0,0|1,0,1]=4 183 B7R0.5 CCO[C@H](O)C(F)F F30106 [1,1,0,0,0,0|2,0,0]=4 184 B7R0.10 CCC(=O)N(C)OC AR3350 [1,1,0,0,0,0|2,0,0]=4 185 B7R0.10 CCC(=O)[C@@H](O)CC D92050 [1,1,0,0,0,0|2,0,0]=4 186 B7R0.10 CCC(S)C(C)CO A10541 [1,1,0,0,0,0|2,0,0]=4 187 B7R0.10 CC[C@@H](C)[C@@H](N)CO AC7563 [1,1,0,0,0,0|2,0,0]=4 188 B7R0.10 CC[C@@H](C)[C@@H](N)CO FD21812 [1,1,0,0,0,0|2,0,0]=4 189 B7R0.10 COC(=O)[C@H](C)OC AT18834 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.12 CNCC(OC)OC 67627 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.12 COC(CCBr)OC 28799 [1,1,0,0,0,0|2,0,0]=4 192 B7R0.12 COC(CSC)OC F15987 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.12 COCC(OC)OC A10903 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.1 C=CCOCCCC D88441 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.1 CCCCCCCBr D78084 [1,1,0,0,0,0|2,0,0]=4 196 B7R0.1 CCCCCCCI D70828 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.1 CCCCCCCS D90781 [1,1,0,0,0,0|2,0,0]=4 198 B7R0.1 CCCCOCCCl D89363 [1,1,0,0,0,0|1,0,0]=3 199 B7R0.1 COCCOCCBr AC1298 [1,1,0,0,0,0|2,0,0]=4 200 B7R0.1 COCCOCCN F19842 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.1 COCCOCCO D78002 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.4 CCCCC[C@H](C)N D90921 [1,1,0,0,0,0|2,0,0]=4 203 B7R0.4 CCCCC[C@H](C)O D83253 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.4 CCCCOC(C)C D93400 [1,1,0,0,0,0|1,0,0]=3 205 B9R0.5 CCCCC[C@@H](C)CCC T71919 [0,2,0,0,0,0|2,0,0]=4 206 B9R0.5 CCOC(=O)COCCCl 30785 [0,2,0,0,0,0|1,0,1]=4 207 B9R0.5 CCOC=CC(=O)OCC CL4510 [0,2,0,0,0,0|1,0,1]=4 208 B9R0.5 CCO\C=C\C(=O)OCC F11937 [0,2,0,0,0,0|1,0,1]=4 209 B9R0.35 CCC[C@H](Br)C(=O)OCC H11305 [0,2,0,0,0,0|2,0,0]=4 210 B9R0.35 CCC[C@H](N)C(=O)OCC 64698 [0,2,0,0,0,0|2,0,0]=4 211 B9R0.35 CCC[C@H](O)C(=O)OCC D90546 [0,2,0,0,0,0|2,0,0]=4 212 B9R0.35 CCOC(=N)C(=O)OCC 36102 [0,2,0,0,0,0|1,0,1]=4 213 B9R0.35 CCOC(=O)[C@H](Cl)OCC F20949 [0,2,0,0,0,0|1,0,0]=3 214 B9R0.66 CCO[Si](C)(C)CCCN D77987 [0,2,0,0,0,0|1,1,0]=4 215 B9R0.27 CCC(=O)C(C)C(=O)CC A11220 [0,2,0,0,0,0|2,0,0]=4 216 B9R0.53 CC(=O)OC(C)OC(C)=O D90424 [0,2,0,0,0,0|0,0,2]=4 217 B9R0.53 CC(C)OC(=O)O[C@H](C)Cl D70996 [0,2,0,0,0,0|1,0,1]=4 218 B9R0.53 CC(C)OP(O)OC(C)C D70881 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.53 CC(C)OS(=O)OC(C)C D90142 [0,2,0,0,0,0|2,0,0]=4 220 B9R0.15 CCOC(OCC)C(N)=O 20548 [0,2,0,0,0,0|0,0,1]=3 221 B9R0.15 CCOC(OCC)N(C)C 79357 [0,2,0,0,0,0|0,0,0]=2 222 B9R0.15 CCOC(OCC)[C@H](C)Br 29759 [0,2,0,0,0,0|0,0,0]=2 223 B9R0.17 CC=CC(OCC)OCC D93336 [0,2,0,0,0,0|0,0,0]=2 224 B9R0.17 CCOC(CC#N)OCC 81950 [0,2,0,0,0,0|0,0,0]=2 225 B9R0.17 CCOC(CCCl)OCC A11035 [0,2,0,0,0,0|0,0,0]=2 226 B9R0.17 CCOC(CCN)OCC A51079 [0,2,0,0,0,0|0,0,0]=2 227 B9R0.17 CCOC(CCO)OCC 30283 [0,2,0,0,0,0|0,0,0]=2 228 B9R0.59 C=C[Si](C)(OCC)OCC D90043 [0,2,0,0,0,0|0,1,0]=3 229 B9R0.59 CCOP(=O)(C#N)OCC F16281 [0,2,0,0,0,0|1,0,1]=4 230 B9R0.59 CCOP(=O)(CC)OCC F17208 [0,2,0,0,0,0|1,0,0]=3 231 B9R0.59 CCOP(=O)(CCl)OCC C15563 [0,2,0,0,0,0|1,0,0]=3 232 B9R0.59 CCOP(=O)(CI)OCC D73313 [0,2,0,0,0,0|1,0,0]=3 233 B9R0.59 CCOP(=O)(CO)OCC 79321 [0,2,0,0,0,0|1,0,0]=3 234 B9R0.59 CCO[Si](C)(CCl)OCC I11071 [0,2,0,0,0,0|0,1,0]=3 235 B7R1.1 BrCC1CCCC1 54494 [1,0,0,1,0,0|2,0,0]=4 236 B7R1.1 BrCC1OCCO1 O10502 [1,0,0,1,0,0|2,0,0]=4 237 B7R1.1 BrC[C@H]1CCCO1 P10030 [1,0,0,1,0,0|1,0,0]=3 238 B7R1.1 CCN1CCCC1 F17079 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.1 CNC1CCCC1 F20064 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.1 COC1=NCCC1 O11464 [1,0,0,1,0,0|1,0,1]=4 241 B7R1.1 COC1OCCO1 D78408 [1,0,0,1,0,0|1,0,0]=3 242 B7R1.1 CO[C@H]1CCNC1 27715 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.1 CO[C@H]1CCNC1 63946 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.1 CO[C@H]1CCNC1 63947 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.1 CO[C@H]1CCNC1 P10861 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.1 ClCC1OCCO1 H10733 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.1 ClC[C@H]1CCCO1 D78464 [1,0,0,1,0,0|1,0,0]=3 248 B7R1.1 ICC1CCCC1 53338 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.1 NCC1CCCC1 52183 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.1 NCC1OCCO1 F50673 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.1 NC[C@H]1CCCN1 36336 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.1 NC[C@H]1CCCN1 38156 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.1 OCC1CCCC1 23321 [1,0,0,1,0,0|2,0,0]=4 254 B7R1.1 OCC1OCCO1 I11345 [1,0,0,1,0,0|2,0,0]=4 255 B7R1.1 OC[C@H]1CCCN1 11146 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.1 OC[C@H]1CCCN1 11148 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.1 OC[C@H]1CCCN1 F10903 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.1 OC[C@H]1CCCO1 D77646 [1,0,0,1,0,0|1,0,0]=3 259 B7R1.1 OC[C@H]1CCCO1 W18447 [1,0,0,1,0,0|1,0,0]=3 260 B7R1.1 OC[C@H]1COCO1 D70284 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.2 CC1CCC(C)N1 D96806 [1,0,0,1,0,0|1,0,0]=3 262 B7R1.2 CC1COS(=O)O1 D91602 [1,0,0,1,0,0|2,0,0]=4 263 B7R1.2 C[C@H]1CCC(=O)O1 P20539 [1,0,0,1,0,0|1,0,1]=4 264 B7R1.2 C[C@H]1COC(=O)O1 28658 [1,0,0,1,0,0|1,0,1]=4 265 B7R1.3 BrC1CCCCC1 P19773 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.3 CC1=CCCCC1 H10759 [1,0,0,1,0,0|1,0,1]=4 267 B7R1.3 CC1SCCCS1 D75611 [1,0,0,1,0,0|0,2,0]=4 268 B7R1.3 C[C@H]1CCCCN1 64251 [1,0,0,1,0,0|1,0,0]=3 269 B7R1.3 C[C@H]1CCCCN1 64253 [1,0,0,1,0,0|1,0,0]=3 270 B7R1.3 C[C@H]1CCCNC1 79119 [1,0,0,1,0,0|2,0,0]=4 271 B7R1.3 C[C@H]1CCCNC1 N10739 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.3 C[C@H]1CNCCN1 29363 [1,0,0,1,0,0|2,0,0]=4 273 B7R1.3 C[C@H]1CNCCN1 29364 [1,0,0,1,0,0|2,0,0]=4 274 B7R1.3 C[C@H]1CNCCN1 29365 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.3 C[C@H]1CNCCN1 29366 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.3 C[C@H]1CNCCO1 27675 [1,0,0,1,0,0|1,0,0]=3 277 B7R1.3 C[C@H]1CNCCO1 F13092 [1,0,0,1,0,0|1,0,0]=3 278 B7R1.3 C[C@H]1COCCN1 24436 [1,0,0,1,0,0|2,0,0]=4 279 B7R1.3 C[C@H]1COCCN1 25281 [1,0,0,1,0,0|2,0,0]=4 280 B7R1.3 C[C@H]1COCCN1 36208 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.3 C[C@H]1COCCN1 39286 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.3 C[C@H]1COCCN1 63476 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.3 IC1CCCCC1 F20359 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.3 O=C1CCCCO1 20506 [1,0,0,1,0,0|1,0,1]=4 285 B7R1.3 O=C1OCCCO1 F20507 [1,0,0,1,0,0|1,0,1]=4 286 B7R1.3 O=S1OCCCO1 D90284 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.3 O[C@@H]1CCCCO1 F19855 [1,0,0,1,0,0|1,0,0]=3 288 B7R1.4 CC1OCCC1S AT13652 [1,0,0,1,0,0|1,0,0]=3 289 B7R1.4 C[C@@H]1OCCC1=O O10840 [1,0,0,1,0,0|1,0,1]=4 290 B7R1.4 C[C@H]1CCOC1=O D70164 [1,0,0,1,0,0|1,0,1]=4 291 B7R1.6 CCOC1CNC1 25335 [1,0,0,1,0,0|1,0,0]=3 292 B7R1.22 CC[C@H](N)C1CC1 P15918 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.22 CC[C@H](O)C1CC1 P15300 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.25 CC1(CBr)CCC1 P19189 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.25 CC1(CN)CCC1 38631 [1,0,0,1,0,0|2,0,0]=4 296 B7R1.25 CCC1(N)CCC1 D79212 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.25 COC1(C)CNC1 37157 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.7 CCNCC1CC1 F14236 [1,0,0,1,0,0|2,0,0]=4 299 B7R1.24 C1CNCCOC1 31105 [1,0,0,1,0,0|2,0,0]=4 300 B9R1.2 CN1CCO[C@@H](CN)C1 24117 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.2 CN1CCO[C@@H](CO)C1 30693 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.7 CCC[C@H]1CCC(=O)O1 D90888 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.8 BrCCC1OCCCO1 C13791 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.8 CCC[C@H]1CCCCN1 Y10685 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.8 CCNC1CCOCC1 20751 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.8 CCOC1CCNCC1 D95786 [0,1,0,1,0,0|1,0,0]=3 307 B9R1.8 CCO[C@@H]1CCC=CO1 28714 [0,1,0,1,0,0|0,0,1]=3 308 B9R1.8 CCO[C@H]1CCCNC1 75813 [0,1,0,1,0,0|1,0,0]=3 309 B9R1.8 COC[C@H]1CNCCO1 77671 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.8 ClCOC1CCCCC1 D89466 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.8 OCC[C@H]1CCCCO1 F20608 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.12 BrCCCC1OCCO1 77883 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.12 CCCC[C@H]1CCCN1 D83453 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.12 ClCCCC1OCCO1 TD8141 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.12 NCCCC1CCCC1 P17748 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.12 NCCOC1CCCC1 31471 [0,1,0,1,0,0|1,0,0]=3 317 B9R1.12 OCCCC1CCCC1 AB3609 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.134 CC1(CCBr)OCCO1 D88833 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.134 CC1(CCO)OCCO1 32070 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.11 COC(=O)[C@@H]1CCCO1 D94760 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.13 CC(C)C[C@H]1CCCN1 AR1079 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.34 CC1CC(C)CC(O)C1 D89705 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.34 CC1NC(C)NC(C)N1 F17061 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.66 CC1(C)C[C@@H](N)CCO1 26980 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.14 CCN1CCC[C@@H]1CN 23003 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.14 CCN1CCC[C@@H]1CN 51604 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.14 CCN1CCC[C@@H]1CN 51605 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.14 CCN1CCC[C@@H]1CN P10007 [0,1,0,1,0,0|2,0,0]=4 329 B9R1.14 CCN1CCC[C@@H]1CN P10140 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.89 CNC1CCCCCC1 D95799 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.89 OCC1CCCCCC1 A11790 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.148 CC1(C)OCC=CCO1 CS2196 [0,1,0,1,0,0|0,0,2]=4 333 B9R1.148 CC1(O)CCCCCC1 D93172 [0,1,0,1,0,0|2,0,0]=4 334 B9R2.68 C1CC2CNCC1O2 P10791 [0,0,0,2,0,0|2,0,0]=4