0 B8R0.8 C(CC(=C(F)F)F)CO TS06419 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.8 C(CC(C(=O)O)N)CN TS12622 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.8 C(CC(C(=O)O)N)CN TS21454 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.8 C(CC(C(=O)O)N)CN TS38757 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS07674 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS36671 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS51453 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS74512 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.8 C(C[C@H](C(=O)O)N)CN TS12623 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.8 CC(=C)C(=O)NCC=C TS36063 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.8 CC(=C)C(=O)NCCO TS36409 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.8 CC(=C)C(=O)NCOC TS36403 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.8 CC(=C)C(=O)OCC#C TS32595 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.8 CC(=C)C(=O)OCCBr TS17607 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.8 CC(=C)C(=O)OCCCl TS40704 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.8 CC(=C)C(=O)OCCF TS36652 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.8 CC(=C)C(=O)OCCN TS42970 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.8 CC(=C)C(=O)OCCO TS05522 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.8 CC(C(=O)NCCO)O TS05811 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.8 CC(CCC#N)C(=O)C TS36070 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.8 CCCC=C(C)C(=O)O TS36301 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.8 CCCCC(=C(C)C)C TS05209 [0,0,0,0,0,0|2,0,0]=2 22 B8R0.8 CCCCC(=O)C(=O)C TS05337 [0,0,0,0,0,0|0,0,0]=0 23 B8R0.8 CCCCC(=O)C(=O)[O-] TS41093 [0,0,0,0,0,0|1,0,0]=1 24 B8R0.8 CCCCC(=O)C(C)C TS36328 [0,0,0,0,0,0|1,0,1]=2 25 B8R0.8 CCCCC(=O)N(C)C TS05483 [0,0,0,0,0,0|2,0,0]=2 26 B8R0.8 CCCCC(C(=C)C)O TS36338 [0,0,0,0,0,0|1,0,2]=3 27 B8R0.8 CCCCC(C(=O)Br)Br TS68068 [0,0,0,0,0,0|2,0,1]=3 28 B8R0.8 CCCCC(C(=O)Cl)Br TS21557 [0,0,0,0,0,0|2,0,1]=3 29 B8R0.8 CCCCC(C(=O)N)N TS43162 [0,0,0,0,0,0|2,0,1]=3 30 B8R0.8 CCCCC(C(=O)O)Br TS51947 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.8 CCCCC(C(=O)O)N TS05663 [0,0,0,0,0,0|2,0,1]=3 32 B8R0.8 CCCCC(C(=O)O)O TS05717 [0,0,0,0,0,0|1,0,2]=3 33 B8R0.8 CCCCC(C(C)C)O TS05585 [0,0,0,0,0,0|1,0,3]=4 34 B8R0.8 CCCCC(C)C(=O)C TS05385 [0,0,0,0,0,0|1,0,1]=2 35 B8R0.8 CCCCC(C)C(=O)Cl TS07516 [0,0,0,0,0,0|2,0,1]=3 36 B8R0.8 CCCCC(C)C(=O)O TS05567 [0,0,0,0,0,0|2,0,1]=3 37 B8R0.8 CCCCC(C)C(C)C TS05429 [0,0,0,0,0,0|2,0,2]=4 38 B8R0.8 CCCCC(C)C(C)O TS05586 [0,0,0,0,0,0|1,0,3]=4 39 B8R0.8 CCCC[C@@H](C(=O)N)N TS43160 [0,0,0,0,0,0|2,0,1]=3 40 B8R0.8 CCCC[C@@H](C(=O)O)N TS36593 [0,0,0,0,0,0|2,0,1]=3 41 B8R0.8 CCCC[C@H](C(=O)O)N TS05658 [0,0,0,0,0,0|2,0,1]=3 42 B8R0.8 CCCOC(=O)C(=C)C TS36313 [0,0,0,0,0,0|2,0,0]=2 43 B8R0.8 CCCOC(=O)C(=O)C TS40210 [0,0,0,0,0,0|1,0,0]=1 44 B8R0.8 CCCOC(=O)C(C)O TS05710 [0,0,0,0,0,0|1,0,2]=3 45 B8R0.8 CCCOC(=O)[C@H](C)O TS05734 [0,0,0,0,0,0|1,0,2]=3 46 B8R0.8 CCSC[C@@H](C(=O)O)N TS07588 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.8 CN(C)C(=O)CCCCl TS40801 [0,0,0,0,0,0|3,0,0]=3 48 B8R0.8 CSCCC(=O)C(=O)[O-] TS12781 [0,0,0,0,0,0|2,0,0]=2 49 B8R0.8 CSCCC(C(=O)O)N TS37819 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.8 CSCCC(C(=O)O)N TS61974 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.8 CSCCC(C(=O)O)O TS65052 [0,0,0,0,0,0|2,0,2]=4 52 B8R0.8 CSCCC(C(=O)[O-])O TS78392 [0,0,0,0,0,0|2,0,2]=4 53 B8R0.8 CSCC[C@@H](C(=O)N)N TS07498 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.8 CSCC[C@@H](C(=O)N)N TS15401 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.8 CSCC[C@@H](C(=O)O)N TS07583 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.8 CSCC[C@@H](C(=O)O)N TS09902 [0,0,0,0,0,0|3,0,1]=4 57 B8R0.8 CSCC[C@@H](C(=O)O)N TS35372 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.8 CSCC[C@@H](C(=O)O)N TS93972 [0,0,0,0,0,0|3,0,1]=4 59 B8R0.8 CSCC[C@H](C(=O)[O-])N TS12996 [0,0,0,0,0,0|3,0,1]=4 60 B8R0.8 C[Se]CCC(C(=O)O)N TS53596 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.8 C[Se]CCC(C(=O)O)N TS93321 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.8 C[Se]CC[C@@H](C(=O)O)N TS64910 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.3 C(CC(=O)NN)CO TS32340 [1,0,0,0,0,0|3,0,0]=4 64 B7R0.3 C=CC(=O)NCCN TS94605 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.3 C=CC(=O)OCCBr TS47659 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.3 C=CC(=O)OCCCl TS05938 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.3 C=CC(=O)OCCO TS56178 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.3 CCC#CC(=O)OC TS31922 [1,0,0,0,0,0|1,0,2]=4 69 B7R0.3 CCC(=O)NCCO TS32284 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.3 CCC=CC(=O)OC TS56262 [1,0,0,0,0,0|1,0,2]=4 71 B7R0.3 CCCCC(=C)CC TS04366 [1,0,0,0,0,0|1,0,1]=3 72 B7R0.3 CCCCC(=CC)C TS04336 [1,0,0,0,0,0|1,0,0]=2 73 B7R0.3 CCCCC(=NO)C TS04540 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.3 CCCCC(=O)CC TS04462 [1,0,0,0,0,0|0,0,1]=2 75 B7R0.3 CCCCC(=O)NC TS32169 [1,0,0,0,0,0|1,0,0]=2 76 B7R0.3 CCCCC(=O)NN TS04606 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.3 CCCCC(=O)OC TS32226 [1,0,0,0,0,0|1,0,0]=2 78 B7R0.3 CCCCC(C)CC TS32121 [1,0,0,0,0,0|1,0,2]=4 79 B7R0.3 CCCCC(C=C)O TS04474 [1,0,0,0,0,0|0,0,3]=4 80 B7R0.3 CCCCC(CC)Br TS14340 [1,0,0,0,0,0|1,0,2]=4 81 B7R0.3 CCCCC(CC)N TS04554 [1,0,0,0,0,0|1,0,2]=4 82 B7R0.3 CCCCC(CC)O TS04628 [1,0,0,0,0,0|0,0,3]=4 83 B7R0.3 CCCCN(C)N=O TS04602 [1,0,0,0,0,0|3,0,0]=4 84 B7R0.3 CCCOC(=O)C=C TS04429 [1,0,0,0,0,0|1,0,1]=3 85 B7R0.3 CCCOC(=O)CCl TS06137 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.3 CCCOC(=O)CN TS41315 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.3 CCCOC(=O)OC TS32321 [1,0,0,0,0,0|2,0,0]=3 88 B7R0.3 CCCSC(=O)CC TS05773 [1,0,0,0,0,0|1,0,1]=3 89 B7R0.3 CCOC=C(C)C=O TS04427 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.3 COC(=O)CCC#N TS02730 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.3 COC(=O)CCC=O TS02246 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.3 COC(=O)CCCBr TS09599 [1,0,0,0,0,0|2,0,0]=3 93 B7R0.3 COC(=O)CCCCl TS06131 [1,0,0,0,0,0|2,0,0]=3 94 B7R0.3 COC(=O)CCCI TS52575 [1,0,0,0,0,0|2,0,0]=3 95 B7R0.3 COC(=O)CCCN TS41316 [1,0,0,0,0,0|2,0,0]=3 96 B7R0.3 COC(=O)CCSC TS05919 [1,0,0,0,0,0|2,0,0]=3 97 B7R0.3 COCCC(=O)NN TS32330 [1,0,0,0,0,0|3,0,0]=4 98 B7R0.3 COCCC(=O)OC TS32322 [1,0,0,0,0,0|2,0,0]=3 99 B7R0.4 C(CCBr)CC(=O)Cl TS71477 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.4 C(CCBr)CC(=O)O TS14721 [1,0,0,0,0,0|2,0,1]=4 101 B7R0.4 C(CCCl)CC(=O)Cl TS10542 [1,0,0,0,0,0|2,0,1]=4 102 B7R0.4 C(CCCl)CC(=O)O TS06138 [1,0,0,0,0,0|2,0,1]=4 103 B7R0.4 C(CCN)CC(=O)O TS04661 [1,0,0,0,0,0|2,0,1]=4 104 B7R0.4 C(CCN)CC(=O)O TS41314 [1,0,0,0,0,0|2,0,1]=4 105 B7R0.4 C(COC(=O)Cl)CCl TS93963 [1,0,0,0,0,0|3,0,0]=4 106 B7R0.4 CC#CCOC(=O)C TS31919 [1,0,0,0,0,0|1,0,2]=4 107 B7R0.4 CC(=CCCC=C)C TS31846 [1,0,0,0,0,0|1,0,2]=4 108 B7R0.4 CC(=O)CCCC#N TS04252 [1,0,0,0,0,0|1,0,2]=4 109 B7R0.4 CC(=O)CCCCBr TS47671 [1,0,0,0,0,0|1,0,1]=3 110 B7R0.4 CC(=O)CCCCCl TS05947 [1,0,0,0,0,0|1,0,1]=3 111 B7R0.4 CC(=O)OCCC#C TS31899 [1,0,0,0,0,0|1,0,2]=4 112 B7R0.4 CC(=O)OCCC=C TS04442 [1,0,0,0,0,0|1,0,2]=4 113 B7R0.4 CC(=O)OCCCCl TS06130 [1,0,0,0,0,0|2,0,0]=3 114 B7R0.4 CC(=O)OCCOC TS32328 [1,0,0,0,0,0|2,0,0]=3 115 B7R0.4 CC=CC=CC(=O)C TS31841 [1,0,0,0,0,0|0,0,3]=4 116 B7R0.4 CCCC#CC(=C)C TS04147 [1,0,0,0,0,0|1,0,2]=4 117 B7R0.4 CCCC#CC(=O)C TS31834 [1,0,0,0,0,0|0,0,2]=3 118 B7R0.4 CCCC#CC(=O)O TS31912 [1,0,0,0,0,0|1,0,2]=4 119 B7R0.4 CCCC=CC(=O)C TS31936 [1,0,0,0,0,0|0,0,1]=2 120 B7R0.4 CCCC=CC(=O)O TS59547 [1,0,0,0,0,0|1,0,1]=3 121 B7R0.4 CCCC=CC(C)C TS04365 [1,0,0,0,0,0|1,0,2]=4 122 B7R0.4 CCCCC=C(C)C TS04347 [1,0,0,0,0,0|1,0,0]=2 123 B7R0.4 CCCCCC(=C)C TS04340 [1,0,0,0,0,0|1,0,1]=3 124 B7R0.4 CCCCCC(=O)C TS32098 [1,0,0,0,0,0|0,0,1]=2 125 B7R0.4 CCCCCC(=O)Cl TS05948 [1,0,0,0,0,0|1,0,1]=3 126 B7R0.4 CCCCCC(=O)N TS32152 [1,0,0,0,0,0|1,0,1]=3 127 B7R0.4 CCCCCC(=O)O TS32204 [1,0,0,0,0,0|1,0,1]=3 128 B7R0.4 CCCCCC(=O)[O-] TS37174 [1,0,0,0,0,0|1,0,1]=3 129 B7R0.4 CCCCCC(=O)[O-] TS58596 [1,0,0,0,0,0|1,0,1]=3 130 B7R0.4 CCCCCC(C)Br TS14342 [1,0,0,0,0,0|1,0,2]=4 131 B7R0.4 CCCCCC(C)C TS32120 [1,0,0,0,0,0|1,0,2]=4 132 B7R0.4 CCCCCC(C)Cl TS05959 [1,0,0,0,0,0|1,0,2]=4 133 B7R0.4 CCCCCC(C)N TS04560 [1,0,0,0,0,0|1,0,2]=4 134 B7R0.4 CCCCCC(C)O TS32255 [1,0,0,0,0,0|0,0,3]=4 135 B7R0.4 CCCCC[C@@H](C)N TS04556 [1,0,0,0,0,0|1,0,2]=4 136 B7R0.4 CCCCC[C@@H](C)O TS04622 [1,0,0,0,0,0|0,0,3]=4 137 B7R0.4 CCCCC[C@H](C)N TS04553 [1,0,0,0,0,0|1,0,2]=4 138 B7R0.4 CCCCC[C@H](C)O TS32248 [1,0,0,0,0,0|0,0,3]=4 139 B7R0.4 CCCCC[N+](=O)[O-] TS04659 [1,0,0,0,0,0|2,0,1]=4 140 B7R0.4 CCCCNC(=O)C TS32171 [1,0,0,0,0,0|1,0,0]=2 141 B7R0.4 CCCCNC(=O)N TS04607 [1,0,0,0,0,0|2,0,0]=3 142 B7R0.4 CCCCNC(=S)N TS05781 [1,0,0,0,0,0|2,1,0]=4 143 B7R0.4 CCCCOC(=O)C TS32218 [1,0,0,0,0,0|1,0,0]=2 144 B7R0.4 CCCCOC(=O)Cl TS16538 [1,0,0,0,0,0|2,0,0]=3 145 B7R0.4 CCCCOC(=O)N TS04660 [1,0,0,0,0,0|2,0,0]=3 146 B7R0.4 CCCCOC(=S)C TS05777 [1,0,0,0,0,0|1,1,0]=3 147 B7R0.4 CCCCON(=O)=O TS32384 [1,0,0,0,0,0|3,0,0]=4 148 B7R0.4 CCCCSC(C)C TS05791 [1,0,0,0,0,0|2,0,1]=4 149 B7R0.4 CCCNCC(=O)O TS04670 [1,0,0,0,0,0|2,0,1]=4 150 B7R0.4 CCCOCC(=O)O TS32314 [1,0,0,0,0,0|2,0,1]=4 151 B7R0.4 CCCSCC(=O)O TS05921 [1,0,0,0,0,0|2,0,1]=4 152 B7R0.4 CCOC=CC(=O)Cl TS05940 [1,0,0,0,0,0|2,0,1]=4 153 B7R0.4 CCOC=CC(=O)O TS32181 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.4 CCOCCC(=O)C TS04589 [1,0,0,0,0,0|1,0,1]=3 155 B7R0.4 CCOCCC(=O)O TS32325 [1,0,0,0,0,0|2,0,1]=4 156 B7R0.4 CNCCCC(=O)O TS41308 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.4 COCCOC(=O)Cl TS37247 [1,0,0,0,0,0|3,0,0]=4 158 B7R0.5 CC(=C)C(=O)NCO TS04529 [1,0,0,0,0,0|3,0,0]=4 159 B7R0.5 CCC=C(C)C(=O)O TS04448 [1,0,0,0,0,0|2,0,1]=4 160 B7R0.5 CCCC(=C(C)C)C TS04362 [1,0,0,0,0,0|2,0,0]=3 161 B7R0.5 CCCC(=C)C(C)C TS04341 [1,0,0,0,0,0|2,0,1]=4 162 B7R0.5 CCCC(=O)C(=O)C TS32062 [1,0,0,0,0,0|0,0,0]=1 163 B7R0.5 CCCC(=O)C(=O)O TS32183 [1,0,0,0,0,0|1,0,0]=2 164 B7R0.5 CCCC(=O)C(=O)[O-] TS06218 [1,0,0,0,0,0|1,0,0]=2 165 B7R0.5 CCCC(=O)C(C)C TS32114 [1,0,0,0,0,0|1,0,1]=3 166 B7R0.5 CCCC(=O)N(C)C TS32149 [1,0,0,0,0,0|2,0,0]=3 167 B7R0.5 CCCC(C(=O)Cl)Br TS18873 [1,0,0,0,0,0|2,0,1]=4 168 B7R0.5 CCCC(C(=O)O)Br TS14719 [1,0,0,0,0,0|2,0,1]=4 169 B7R0.5 CCCC(C(=O)O)N TS04663 [1,0,0,0,0,0|2,0,1]=4 170 B7R0.5 CCCC(C(=O)[O-])O TS06422 [1,0,0,0,0,0|1,0,2]=4 171 B7R0.5 CCCC(C)C(=C)C TS31970 [1,0,0,0,0,0|2,0,1]=4 172 B7R0.5 CCCC(C)C(=O)C TS04464 [1,0,0,0,0,0|1,0,1]=3 173 B7R0.5 CCCC(C)C(=O)Cl TS05952 [1,0,0,0,0,0|2,0,1]=4 174 B7R0.5 CCC[C@@H](C(=O)N)N TS41224 [1,0,0,0,0,0|2,0,1]=4 175 B7R0.5 CCC[C@@H](C(=O)O)N TS93993 [1,0,0,0,0,0|2,0,1]=4 176 B7R0.5 CCC[C@H](C(=O)O)N TS04664 [1,0,0,0,0,0|2,0,1]=4 177 B7R0.5 CCNC(=O)C(=C)C TS04389 [1,0,0,0,0,0|2,0,0]=3 178 B7R0.5 CCOC(=O)C(=C)Br TS47658 [1,0,0,0,0,0|2,0,1]=4 179 B7R0.5 CCOC(=O)C(=C)C TS00098 [1,0,0,0,0,0|2,0,0]=3 180 B7R0.5 CCOC(=O)C(=O)C TS01478 [1,0,0,0,0,0|1,0,0]=2 181 B7R0.5 CCOC(=O)C(=O)Cl TS01473 [1,0,0,0,0,0|2,0,0]=3 182 B7R0.5 CCOC(=O)C(=O)N TS32272 [1,0,0,0,0,0|2,0,0]=3 183 B7R0.5 CCOC(=O)C(C)Br TS55906 [1,0,0,0,0,0|2,0,1]=4 184 B7R0.5 CCOC(=O)C(C)C TS32217 [1,0,0,0,0,0|2,0,1]=4 185 B7R0.5 CCOC(=O)C(C)Cl TS55916 [1,0,0,0,0,0|2,0,1]=4 186 B7R0.5 CCOC(=O)C(C)F TS32420 [1,0,0,0,0,0|2,0,1]=4 187 B7R0.5 CCOC(=O)C(C)N TS55877 [1,0,0,0,0,0|2,0,1]=4 188 B7R0.5 CCOC(=O)C(C)O TS04714 [1,0,0,0,0,0|1,0,2]=4 189 B7R0.5 CCOC(=O)C(C)S TS05920 [1,0,0,0,0,0|1,1,1]=4 190 B7R0.5 CCOC(=O)[C@@H](C)N TS41313 [1,0,0,0,0,0|2,0,1]=4 191 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [1,0,0,0,0,0|1,0,2]=4 192 B7R0.5 CCOC(=O)[C@H](C)Cl TS06132 [1,0,0,0,0,0|2,0,1]=4 193 B7R0.5 CCOC(=O)[C@H](C)N TS02287 [1,0,0,0,0,0|2,0,1]=4 194 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [1,0,0,0,0,0|1,0,2]=4 195 B7R0.5 CCOC(=S)C(=O)N TS01481 [1,0,0,0,0,0|2,1,0]=4 196 B9R0.3 CCCCC(=O)C(C)(C)C TS06742 [0,1,0,0,0,0|1,0,1]=3 197 B9R0.6 CCCC(C(C(=O)O)N)F TS07562 [0,1,0,0,0,0|2,0,1]=4 198 B9R0.6 CCCC(C)C(=O)C(C)C TS06761 [0,1,0,0,0,0|1,0,1]=3 199 B9R0.6 CCC[C@@H]([C@H](C(=O)O)N)O TS07320 [0,1,0,0,0,0|2,0,1]=4 200 B9R0.6 CCC[C@H]([C@@H](C(=O)O)N)O TS07317 [0,1,0,0,0,0|2,0,1]=4 201 B9R0.7 C(CC(=O)O)C(=O)C(=O)O TS55733 [0,1,0,0,0,0|2,0,1]=4 202 B9R0.7 C(CC(=O)O)C(=O)C(=O)O TS70456 [0,1,0,0,0,0|2,0,1]=4 203 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)O TS15251 [0,1,0,0,0,0|2,0,1]=4 204 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)[O-] TS12453 [0,1,0,0,0,0|2,0,1]=4 205 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)[O-] TS12608 [0,1,0,0,0,0|2,0,1]=4 206 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)[O-] TS48539 [0,1,0,0,0,0|2,0,1]=4 207 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)[O-] TS50159 [0,1,0,0,0,0|2,0,1]=4 208 B9R0.7 CC(=C)COC(=O)C(=C)C TS06472 [0,1,0,0,0,0|2,0,1]=4 209 B9R0.7 CC(C)C(=O)CCN(C)C TS06877 [0,1,0,0,0,0|2,0,1]=4 210 B9R0.7 CC(C)CCC(C(=O)O)N TS07102 [0,1,0,0,0,0|2,0,1]=4 211 B9R0.7 CC(C)COC(=O)C(=C)C TS37616 [0,1,0,0,0,0|2,0,0]=3 212 B9R0.7 CC(C)COC(=O)C(C)C TS40217 [0,1,0,0,0,0|2,0,1]=4 213 B9R0.7 CC(CNC(=O)C(=C)C)O TS40079 [0,1,0,0,0,0|2,0,0]=3 214 B9R0.7 CC(COC(=O)C(=C)C)O TS06952 [0,1,0,0,0,0|2,0,0]=3 215 B9R0.7 C[C@@H](C(=O)OCC(C)C)Cl TS11958 [0,1,0,0,0,0|2,0,1]=4 216 B9R0.7 C[C@H](C(=O)OCC(C)C)O TS40428 [0,1,0,0,0,0|1,0,2]=4 217 B9R0.8 CCCCC(=O)C(C)CC TS37636 [0,1,0,0,0,0|1,0,1]=3 218 B9R0.8 CCCCC(C(=O)OC)Br TS20685 [0,1,0,0,0,0|1,0,1]=3 219 B9R0.8 CCCCC(C(=O)OC)Br TS93880 [0,1,0,0,0,0|1,0,1]=3 220 B9R0.8 CCCCC(C(=O)OC)N TS48157 [0,1,0,0,0,0|1,0,1]=3 221 B9R0.8 CCCC[C@@H](C(=O)OC)N TS48152 [0,1,0,0,0,0|1,0,1]=3 222 B9R0.8 CCCOC(=O)C(=CC)C TS06700 [0,1,0,0,0,0|2,0,0]=3 223 B9R0.8 CCCOC(=O)C(C)CC TS40216 [0,1,0,0,0,0|2,0,1]=4 224 B9R0.8 COC(=O)C(CCCBr)Br TS39897 [0,1,0,0,0,0|2,0,1]=4 225 B9R0.8 COC(=O)C(CCSC)N TS37822 [0,1,0,0,0,0|2,0,1]=4 226 B9R0.8 COC(=O)[C@@H](CCSC)N TS37817 [0,1,0,0,0,0|2,0,1]=4 227 B9R0.8 COC(=O)[C@H](CCCN)N TS49564 [0,1,0,0,0,0|2,0,1]=4 228 B9R0.8 COC(=O)[C@H](CCSC)N TS07678 [0,1,0,0,0,0|2,0,1]=4 229 B9R0.13 CCCCC(CC)C(=C)C TS06532 [0,1,0,0,0,0|2,0,1]=4 230 B9R0.13 CCCCC(CC)C(=O)O TS06981 [0,1,0,0,0,0|2,0,1]=4 231 B9R0.13 CCCCC(CC)C(=O)[O-] TS28139 [0,1,0,0,0,0|2,0,1]=4 232 B9R0.13 CCCCC(CC)C(=O)[O-] TS39790 [0,1,0,0,0,0|2,0,1]=4 233 B9R0.13 CCCCC(CC)C(=O)[O-] TS40834 [0,1,0,0,0,0|2,0,1]=4 234 B9R0.13 CCCCC(CC)C(=O)[O-] TS48322 [0,1,0,0,0,0|2,0,1]=4 235 B9R0.13 CCCCC(CC)C(=O)[O-] TS63429 [0,1,0,0,0,0|2,0,1]=4 236 B9R0.13 CCCCC(CC)C(=O)[O-] TS64479 [0,1,0,0,0,0|2,0,1]=4 237 B9R0.13 CCCCC(CC)C(=O)[O-] TS64807 [0,1,0,0,0,0|2,0,1]=4 238 B9R0.13 CCCCC(CC)C(=O)[O-] TS66962 [0,1,0,0,0,0|2,0,1]=4 239 B9R0.13 CCCCC(CC)C(=O)[O-] TS73340 [0,1,0,0,0,0|2,0,1]=4 240 B9R0.13 CCCCC(CC)C(=O)[O-] TS73382 [0,1,0,0,0,0|2,0,1]=4 241 B9R0.13 CCCCC(CC)C(=O)[O-] TS73419 [0,1,0,0,0,0|2,0,1]=4 242 B9R0.13 CCCCC(CC)C(=O)[O-] TS76447 [0,1,0,0,0,0|2,0,1]=4 243 B9R0.13 CCCCC(CC)C(=O)[O-] TS81006 [0,1,0,0,0,0|2,0,1]=4 244 B9R0.13 CCCCC(CC)C(=O)[O-] TS82968 [0,1,0,0,0,0|2,0,1]=4 245 B9R0.13 CCCCC(CC)C(=O)[O-] TS83145 [0,1,0,0,0,0|2,0,1]=4 246 B9R0.13 CCCCC(CC)C(=O)[O-] TS83453 [0,1,0,0,0,0|2,0,1]=4 247 B9R0.13 CCCCC(CC)C(=O)[O-] TS84114 [0,1,0,0,0,0|2,0,1]=4 248 B9R0.13 CCCCC(CC)C(=O)[O-] TS84290 [0,1,0,0,0,0|2,0,1]=4 249 B9R0.13 CCCC[C@@H](C(=O)O)NC TS40325 [0,1,0,0,0,0|2,0,1]=4 250 B9R0.13 CCCC[C@H](CO)C(=O)O TS40421 [0,1,0,0,0,0|1,0,2]=4 251 B9R0.42 CCC(C)CC(C)C(=O)O TS06984 [0,1,0,0,0,0|2,0,1]=4 252 B9R0.42 CCC(C)OC(=O)C(=C)C TS06702 [0,1,0,0,0,0|2,0,0]=3 253 B9R0.47 C(CCBr)CC(=C(F)F)F TS22163 [0,1,0,0,0,0|3,0,0]=4 254 B9R0.47 C(CCBr)CC(C(=O)O)Br TS74394 [0,1,0,0,0,0|2,0,1]=4 255 B9R0.47 C(CCN)CC(C(=O)O)N TS39859 [0,1,0,0,0,0|2,0,1]=4 256 B9R0.47 C(CCN)CC(C(=O)O)N TS49566 [0,1,0,0,0,0|2,0,1]=4 257 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS01964 [0,1,0,0,0,0|2,0,1]=4 258 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS07239 [0,1,0,0,0,0|2,0,1]=4 259 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS16616 [0,1,0,0,0,0|2,0,1]=4 260 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS20155 [0,1,0,0,0,0|2,0,1]=4 261 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS34096 [0,1,0,0,0,0|2,0,1]=4 262 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS49563 [0,1,0,0,0,0|2,0,1]=4 263 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS54315 [0,1,0,0,0,0|2,0,1]=4 264 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS74520 [0,1,0,0,0,0|2,0,1]=4 265 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS92968 [0,1,0,0,0,0|2,0,1]=4 266 B9R0.47 C(CCN)C[C@H](C(=O)O)N TS07236 [0,1,0,0,0,0|2,0,1]=4 267 B9R0.47 C(CCO)CC(C(=O)O)N TS07321 [0,1,0,0,0,0|2,0,1]=4 268 B9R0.47 C(CCO)C[C@@H](C(=O)O)N TS40513 [0,1,0,0,0,0|2,0,1]=4 269 B9R0.47 CC(=C)C(=O)NCCCN TS56336 [0,1,0,0,0,0|2,0,0]=3 270 B9R0.47 CC(=C)C(=O)OCCC#N TS06360 [0,1,0,0,0,0|2,0,1]=4 271 B9R0.47 CC(=C)C(=O)OCCOC TS06936 [0,1,0,0,0,0|2,0,0]=3 272 B9R0.47 CC(=C)C(=O)OCCSC TS11295 [0,1,0,0,0,0|2,0,0]=3 273 B9R0.47 CCCCCC(=C(C)C)C TS06522 [0,1,0,0,0,0|2,0,0]=3 274 B9R0.47 CCCCCC(=O)C(=O)C TS06710 [0,1,0,0,0,0|0,0,0]=1 275 B9R0.47 CCCCCC(=O)C(C)C TS37635 [0,1,0,0,0,0|1,0,1]=3 276 B9R0.47 CCCCCC(=O)N(C)C TS40099 [0,1,0,0,0,0|2,0,0]=3 277 B9R0.47 CCCCCC(C(=O)O)Br TS20690 [0,1,0,0,0,0|2,0,1]=4 278 B9R0.47 CCCCCC(C(=O)O)N TS07110 [0,1,0,0,0,0|2,0,1]=4 279 B9R0.47 CCCCCC(C)C(=O)O TS40214 [0,1,0,0,0,0|2,0,1]=4 280 B9R0.47 CCCCNC(=O)C(=C)C TS64944 [0,1,0,0,0,0|1,0,0]=2 281 B9R0.47 CCCCNC(=O)N(C)C TS06999 [0,1,0,0,0,0|2,0,0]=3 282 B9R0.47 CCCCOC(=O)C(=C)C TS37597 [0,1,0,0,0,0|1,0,0]=2 283 B9R0.47 CCCCOC(=O)C(=C)F TS40404 [0,1,0,0,0,0|1,0,1]=3 284 B9R0.47 CCCCOC(=O)C(=O)C TS06949 [0,1,0,0,0,0|0,0,0]=1 285 B9R0.47 CCCCOC(=O)C(=O)N TS40299 [0,1,0,0,0,0|1,0,0]=2 286 B9R0.47 CCCCOC(=O)C(C)Br TS20684 [0,1,0,0,0,0|1,0,1]=3 287 B9R0.47 CCCCOC(=O)C(C)C TS06989 [0,1,0,0,0,0|1,0,1]=3 288 B9R0.47 CCCCOC(=O)C(F)Cl TS44945 [0,1,0,0,0,0|2,0,1]=4 289 B9R0.47 CCCCOC(=O)C(F)F TS41099 [0,1,0,0,0,0|2,0,1]=4 290 B9R0.47 CCOCCC(=C(F)F)F TS41340 [0,1,0,0,0,0|3,0,0]=4 291 B9R0.47 CCSCCC(C(=O)O)N TS39380 [0,1,0,0,0,0|2,0,1]=4 292 B9R0.47 CCSCC[C@@H](C(=O)O)N TS42612 [0,1,0,0,0,0|2,0,1]=4 293 B9R0.47 CCSCC[C@H](C(=O)O)N TS42611 [0,1,0,0,0,0|2,0,1]=4 294 B9R0.51 CCCCC(C)(C)C(=O)O TS06986 [0,1,0,0,0,0|2,0,1]=4 295 B9R1.5 C1CCC(=O)N(CC1)Br TS51395 [0,0,0,1,0,0|2,0,0]=3 296 B9R1.5 C1CCNC(=O)C(C1)N TS05359 [0,0,0,1,0,0|2,0,1]=4 297 B9R1.5 C1CCNC(=O)[C@@H](C1)N TS59665 [0,0,0,1,0,0|2,0,1]=4 298 B9R1.5 C1CCNC(=O)[C@H](C1)N TS05365 [0,0,0,1,0,0|2,0,1]=4 299 B9R1.5 CN1CCCCCC1=O TS36239 [0,0,0,1,0,0|2,0,0]=3 300 B9R1.5 CN1CCCNCC1=O TS05356 [0,0,0,1,0,0|3,0,0]=4 301 B9R1.6 C1CCC(=CC1)C(=O)O TS05156 [0,0,0,1,0,0|2,0,0]=3 302 B9R1.6 C1CCC(CC1)C(=O)Cl TS07288 [0,0,0,1,0,0|2,0,1]=4 303 B9R1.6 C1CCC(CC1)C(=O)N TS00205 [0,0,0,1,0,0|2,0,1]=4 304 B9R1.6 C1CCC(CC1)C(=O)[O-] TS40838 [0,0,0,1,0,0|2,0,1]=4 305 B9R1.6 C1CCN(CC1)C(=O)Cl TS07390 [0,0,0,1,0,0|3,0,0]=4 306 B9R1.6 C1CCN(CC1)C(=O)O TS05459 [0,0,0,1,0,0|3,0,0]=4 307 B9R1.6 C1CCNC(C1)C(=O)N TS59354 [0,0,0,1,0,0|2,0,1]=4 308 B9R1.6 C1CCNC(C1)C(=O)O TS02458 [0,0,0,1,0,0|2,0,1]=4 309 B9R1.6 C1CCNC(C1)C(=O)O TS42975 [0,0,0,1,0,0|2,0,1]=4 310 B9R1.6 C1CCNC(C1)C(=O)O TS94706 [0,0,0,1,0,0|2,0,1]=4 311 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS56211 [0,0,0,1,0,0|2,0,1]=4 312 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS94954 [0,0,0,1,0,0|2,0,1]=4 313 B9R1.6 C1CCN[C@H](C1)C(=O)O TS01764 [0,0,0,1,0,0|2,0,1]=4 314 B9R1.6 C1CCN[C@H](C1)C(=O)O TS94583 [0,0,0,1,0,0|2,0,1]=4 315 B9R1.6 C1CCOC(C1)C(=O)O TS05536 [0,0,0,1,0,0|1,0,2]=4 316 B9R1.6 CC(=O)C1=CCCCC1 TS36007 [0,0,0,1,0,0|1,0,0]=2 317 B9R1.6 CC(=O)C1CCCCC1 TS05176 [0,0,0,1,0,0|1,0,1]=3 318 B9R1.6 CC(=O)C1CCCCN1 TS59502 [0,0,0,1,0,0|1,0,1]=3 319 B9R1.6 CC(=O)N1CCCCC1 TS05281 [0,0,0,1,0,0|2,0,0]=3 320 B9R1.6 CC(=O)N1CCNCC1 TS46837 [0,0,0,1,0,0|3,0,0]=4 321 B9R1.6 CC(=O)N1CCOCC1 TS05453 [0,0,0,1,0,0|3,0,0]=4 322 B9R1.6 CC(C)C1=CCCCC1 TS05054 [0,0,0,1,0,0|2,0,1]=4 323 B9R1.23 CN1CC(CC1=O)CN TS89280 [0,0,0,1,0,0|3,0,0]=4 324 B9R1.35 CC(=O)N1CCC(C1)N TS90065 [0,0,0,1,0,0|3,0,0]=4 325 B9R1.35 CC(=O)N1CC[C@H](C1)O TS86695 [0,0,0,1,0,0|3,0,0]=4 326 B9R1.40 CC1(CCCCC1=O)C TS05203 [0,0,0,1,0,0|1,0,1]=3 327 B9R1.40 CC1(CCCCC1=O)Cl TS07287 [0,0,0,1,0,0|1,0,1]=3 328 B9R1.40 CC1(CCCOC1=O)C TS36287 [0,0,0,1,0,0|2,0,1]=4 329 B9R1.40 CC1(CNCCC1=O)C TS90878 [0,0,0,1,0,0|2,0,1]=4 330 B9R1.69 CC1CCC(=O)N(C1)C TS36241 [0,0,0,1,0,0|2,0,0]=3 331 B9R1.69 CC1CCC(C(=O)C1)C TS05183 [0,0,0,1,0,0|1,0,1]=3 332 B9R1.69 CC1CN(CCC1=O)C TS00372 [0,0,0,1,0,0|2,0,1]=4 333 B9R1.69 CN1CC(CCC1=O)N TS86285 [0,0,0,1,0,0|3,0,0]=4 334 B9R1.100 CCCNC(=O)C1CC1 TS05284 [0,0,0,1,0,0|2,0,1]=4 335 B9R1.110 C1CC(C1)C(C(=O)O)N TS36394 [0,0,0,1,0,0|2,0,1]=4 336 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N TS36400 [0,0,0,1,0,0|2,0,1]=4 337 B9R1.110 C1CC(C1)[C@H](C(=O)O)N TS36414 [0,0,0,1,0,0|2,0,1]=4 338 B9R1.110 CC(=O)N(C)C1CNC1 TS91231 [0,0,0,1,0,0|3,0,0]=4 339 B9R1.110 CN(C)C(=O)C1CNC1 TS87065 [0,0,0,1,0,0|3,0,0]=4 340 B9R1.112 C1CC1CC(C(=O)O)N TS05457 [0,0,0,1,0,0|2,0,1]=4 341 B9R1.112 C1CC1C[C@@H](C(=O)O)N TS02288 [0,0,0,1,0,0|2,0,1]=4 342 B9R1.112 C1CC1C[C@@H](C(=O)O)N TS42976 [0,0,0,1,0,0|2,0,1]=4 343 B9R1.112 C1CC1C[C@H](C(=O)O)N TS36407 [0,0,0,1,0,0|2,0,1]=4 344 B9R1.163 C1CCC(C1)(C(=O)N)N TS46842 [0,0,0,1,0,0|2,0,1]=4 345 B9R1.163 C1CCC(C1)(C(=O)O)N TS46849 [0,0,0,1,0,0|2,0,1]=4 346 B9R1.163 CC(=O)C1(CCCC1)O TS36306 [0,0,0,1,0,0|0,0,2]=3 347 B9R1.163 CC1(CCCC1)C(=O)O TS36307 [0,0,0,1,0,0|2,0,1]=4 348 B9R0.4 CC(=O)CC(=O)OCC=C TS06662 [0,0,0,0,0,1|1,0,2]=4 349 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [0,0,0,0,0,1|0,0,0]=1 350 B9R0.4 CCCCC(=O)CC(C)C TS37639 [0,0,0,0,0,1|1,0,1]=3 351 B9R0.4 CCCCC(C)CC(=O)O TS40195 [0,0,0,0,0,1|2,0,1]=4 352 B9R0.4 CCCCC(CC(=O)O)O TS40420 [0,0,0,0,0,1|1,0,2]=4 353 B9R0.4 CCCC[C@@H](C)CC(=O)O TS40197 [0,0,0,0,0,1|2,0,1]=4 354 B9R0.4 CCCC[C@H](C)CC(=O)O TS40208 [0,0,0,0,0,1|2,0,1]=4 355 B9R0.4 CCCOC(=O)CC(=O)C TS06950 [0,0,0,0,0,1|1,0,0]=2 356 B9R0.4 CCCOC(=O)CC(C)C TS40218 [0,0,0,0,0,1|2,0,1]=4 357 B9R0.4 CCOCC(C)OC(=O)C TS40411 [0,0,0,0,0,1|2,0,1]=4 358 B6R0.1 CC=C(C)CCO TS03864 [2,0,0,0,0,0|2,0,0]=4 359 B6R0.1 CCC(=O)CSC TS32357 [2,0,0,0,0,0|1,0,1]=4 360 B6R0.1 CCC(=O)NCC TS03904 [2,0,0,0,0,0|1,0,1]=4 361 B6R0.1 CCC(=O)OCC TS03938 [2,0,0,0,0,0|1,0,1]=4 362 B6R0.1 CCC(=O)SCC TS32362 [2,0,0,0,0,0|1,0,1]=4 363 B6R0.1 CCC=C(C)C=O TS03779 [2,0,0,0,0,0|1,0,1]=4 364 B6R0.1 CCCC(=C)C=O TS31425 [2,0,0,0,0,0|1,0,0]=3 365 B6R0.1 CCCC(=C)CC TS03794 [2,0,0,0,0,0|1,0,1]=4 366 B6R0.1 CCCC(=CC)C TS31455 [2,0,0,0,0,0|1,0,0]=3 367 B6R0.1 CCCC(=O)CC TS31522 [2,0,0,0,0,0|0,0,1]=3 368 B6R0.1 CCCC(=O)NN TS31598 [2,0,0,0,0,0|2,0,0]=4 369 B6R0.1 CCCC(=O)OC TS03955 [2,0,0,0,0,0|1,0,0]=3 370 B6R0.1 CCCC(=S)OC TS32358 [2,0,0,0,0,0|1,1,0]=4 371 B6R0.1 CCCC(C)C=O TS01565 [2,0,0,0,0,0|1,0,1]=4 372 B6R0.1 CCNC(=O)C=C TS03826 [2,0,0,0,0,0|1,0,1]=4 373 B6R0.1 CCNC(=O)OC TS31636 [2,0,0,0,0,0|2,0,0]=4 374 B6R0.1 CCOC(=O)C=C TS33216 [2,0,0,0,0,0|1,0,1]=4 375 B6R0.1 CCOC(=O)C=O TS56148 [2,0,0,0,0,0|1,0,0]=3 376 B6R0.1 CCOC(=O)NC TS31637 [2,0,0,0,0,0|2,0,0]=4 377 B6R0.1 CCOC(=O)OC TS31662 [2,0,0,0,0,0|2,0,0]=4 378 B6R0.1 CNCC(=O)OC TS01682 [2,0,0,0,0,0|2,0,0]=4 379 B6R0.1 COC(=O)CCBr TS56269 [2,0,0,0,0,0|2,0,0]=4 380 B6R0.1 COC(=O)CCCl TS04939 [2,0,0,0,0,0|2,0,0]=4 381 B6R0.1 COC(=O)CCN TS08577 [2,0,0,0,0,0|2,0,0]=4 382 B6R0.1 COC(=O)CCO TS65233 [2,0,0,0,0,0|2,0,0]=4 383 B6R0.1 COC(=O)CCS TS04824 [2,0,0,0,0,0|2,0,0]=4 384 B6R0.1 COC(=O)CSC TS39398 [2,0,0,0,0,0|2,0,0]=4 385 B6R0.1 COCC(=O)OC TS39892 [2,0,0,0,0,0|2,0,0]=4 386 B6R0.4 C(CC(=O)Cl)CBr TS94813 [2,0,0,0,0,0|2,0,0]=4 387 B6R0.4 C(CC(=O)Cl)CCl TS33157 [2,0,0,0,0,0|2,0,0]=4 388 B6R0.4 C(CC(=O)N)CN TS37256 [2,0,0,0,0,0|2,0,0]=4 389 B6R0.4 C(CC(=O)O)CBr TS39744 [2,0,0,0,0,0|1,0,1]=4 390 B6R0.4 C(CC(=O)O)CI TS44433 [2,0,0,0,0,0|1,0,1]=4 391 B6R0.4 C(CC(=O)O)CN TS31643 [2,0,0,0,0,0|1,0,1]=4 392 B6R0.4 C(CC(=O)[O-])CO TS01692 [2,0,0,0,0,0|1,0,1]=4 393 B6R0.4 CC(=C)CCCO TS31523 [2,0,0,0,0,0|2,0,0]=4 394 B6R0.4 CC(=CCCO)C TS03867 [2,0,0,0,0,0|2,0,0]=4 395 B6R0.4 CC(=O)C=COC TS03850 [2,0,0,0,0,0|1,0,1]=4 396 B6R0.4 CC(=O)CCC=C TS31440 [2,0,0,0,0,0|0,0,2]=4 397 B6R0.4 CC(=O)CCCCl TS03260 [2,0,0,0,0,0|1,0,0]=3 398 B6R0.4 CC(=O)CCCO TS39779 [2,0,0,0,0,0|1,0,0]=3 399 B6R0.4 CC(=O)CCSC TS32359 [2,0,0,0,0,0|1,0,0]=3 400 B6R0.4 CC(=O)NCCN TS31596 [2,0,0,0,0,0|2,0,0]=4 401 B6R0.4 CC(=O)NCCO TS03989 [2,0,0,0,0,0|2,0,0]=4 402 B6R0.4 CC(=O)NCCS TS04795 [2,0,0,0,0,0|2,0,0]=4 403 B6R0.4 CC(=O)OCCBr TS55164 [2,0,0,0,0,0|2,0,0]=4 404 B6R0.4 CC(=O)OCCCl TS04941 [2,0,0,0,0,0|2,0,0]=4 405 B6R0.4 CC(=O)OCCO TS31665 [2,0,0,0,0,0|2,0,0]=4 406 B6R0.4 CCC#CC(=O)C TS31369 [2,0,0,0,0,0|0,0,2]=4 407 B6R0.4 CCC=CC(=O)C TS31424 [2,0,0,0,0,0|0,0,1]=3 408 B6R0.4 CCC=CC(=O)O TS03448 [2,0,0,0,0,0|1,0,1]=4 409 B6R0.4 CCC=CC(=O)O TS31503 [2,0,0,0,0,0|1,0,1]=4 410 B6R0.4 CCCCC(=C)C TS31452 [2,0,0,0,0,0|1,0,0]=3 411 B6R0.4 CCCCC(=O)Br TS42846 [2,0,0,0,0,0|1,0,0]=3 412 B6R0.4 CCCCC(=O)C TS31529 [2,0,0,0,0,0|0,0,0]=2 413 B6R0.4 CCCCC(=O)Cl TS32451 [2,0,0,0,0,0|1,0,0]=3 414 B6R0.4 CCCCC(=O)N TS31554 [2,0,0,0,0,0|1,0,0]=3 415 B6R0.4 CCCCC(=O)O TS03958 [2,0,0,0,0,0|0,0,1]=3 416 B6R0.4 CCCCC(=O)[O-] TS04789 [2,0,0,0,0,0|0,0,1]=3 417 B6R0.4 CCCCC(=O)[O-] TS30457 [2,0,0,0,0,0|0,0,1]=3 418 B6R0.4 CCCCC(C)Br TS42855 [2,0,0,0,0,0|1,0,1]=4 419 B6R0.4 CCCCC(C)C TS03881 [2,0,0,0,0,0|1,0,1]=4 420 B6R0.4 CCCCC(C)Cl TS04843 [2,0,0,0,0,0|1,0,1]=4 421 B6R0.4 CCCCC(C)I TS44108 [2,0,0,0,0,0|1,0,1]=4 422 B6R0.4 CCCCC(C)N TS31565 [2,0,0,0,0,0|1,0,1]=4 423 B6R0.4 CCCCC(C)O TS31617 [2,0,0,0,0,0|0,0,2]=4 424 B6R0.4 CCCCN(C)C TS03927 [2,0,0,0,0,0|2,0,0]=4 425 B6R0.4 CCCC[C@@H](C)N TS03923 [2,0,0,0,0,0|1,0,1]=4 426 B6R0.4 CCCC[C@@H](C)O TS03965 [2,0,0,0,0,0|0,0,2]=4 427 B6R0.4 CCCC[C@H](C)N TS03919 [2,0,0,0,0,0|1,0,1]=4 428 B6R0.4 CCCC[C@H](C)O TS31613 [2,0,0,0,0,0|0,0,2]=4 429 B6R0.4 CCCC[N+](=O)[O-] TS31647 [2,0,0,0,0,0|1,0,1]=4 430 B6R0.4 CCCC[Si](C)C TS04645 [2,0,0,0,0,0|1,1,0]=4 431 B6R0.4 CCCC[Sn](=O)O TS43570 [2,0,0,0,0,0|1,0,1]=4 432 B6R0.4 CCCNC(=O)N TS31594 [2,0,0,0,0,0|2,0,0]=4 433 B6R0.4 CCCNC(=O)[O-] TS31634 [2,0,0,0,0,0|1,0,1]=4 434 B6R0.4 CCCOC(=O)C TS03949 [2,0,0,0,0,0|1,0,0]=3 435 B6R0.4 CCCOC(=O)Cl TS55808 [2,0,0,0,0,0|2,0,0]=4 436 B6R0.4 CCCON(=O)=O TS04066 [2,0,0,0,0,0|2,0,0]=4 437 B6R0.4 CCCSC(=O)C TS32364 [2,0,0,0,0,0|1,0,0]=3 438 B6R0.4 CCCSC(=O)Cl TS06329 [2,0,0,0,0,0|2,0,0]=4 439 B6R0.4 CCNCC(=C)C TS03829 [2,0,0,0,0,0|2,0,0]=4 440 B6R0.4 CCNCC(=O)O TS01936 [2,0,0,0,0,0|1,0,1]=4 441 B6R0.4 CCOCC(=O)O TS16814 [2,0,0,0,0,0|1,0,1]=4 442 B6R0.4 CCSCC(=O)C TS32360 [2,0,0,0,0,0|1,0,0]=3 443 B6R0.4 CCSCC(=O)O TS04822 [2,0,0,0,0,0|1,0,1]=4 444 B6R0.4 CNCCC(=O)O TS03990 [2,0,0,0,0,0|1,0,1]=4 445 B6R0.4 COCCC(=O)O TS31660 [2,0,0,0,0,0|1,0,1]=4 446 B6R0.6 C(CCCl)CC=O TS32450 [2,0,0,0,0,0|1,0,1]=4 447 B6R0.6 C(CCO)CC=O TS03340 [2,0,0,0,0,0|1,0,1]=4 448 B6R0.6 CC=CCCCO TS31509 [2,0,0,0,0,0|1,0,0]=3 449 B6R0.6 CC=CCCCO TS31521 [2,0,0,0,0,0|1,0,0]=3 450 B6R0.6 CCCC=CC=O TS31421 [2,0,0,0,0,0|0,0,1]=3 451 B6R0.6 CCCC=CC=O TS31438 [2,0,0,0,0,0|0,0,1]=3 452 B6R0.6 CCCC=CC=O TS31444 [2,0,0,0,0,0|0,0,1]=3 453 B6R0.6 CCCCC#CC TS03724 [2,0,0,0,0,0|0,0,2]=4 454 B6R0.6 CCCCC=CBr TS11653 [2,0,0,0,0,0|1,0,0]=3 455 B6R0.6 CCCCC=CC TS03803 [2,0,0,0,0,0|0,0,0]=2 456 B6R0.6 CCCCCC=C TS31453 [2,0,0,0,0,0|0,0,2]=4 457 B6R0.6 CCCCCC=O TS39877 [2,0,0,0,0,0|0,0,1]=3 458 B6R0.6 CCCCCCC TS03885 [2,0,0,0,0,0|0,0,2]=4 459 B6R0.6 CCCCCNC TS03916 [2,0,0,0,0,0|1,0,1]=4 460 B6R0.6 CCCCCSC TS04750 [2,0,0,0,0,0|1,0,1]=4 461 B6R0.6 CCCCN=C=O TS93082 [2,0,0,0,0,0|1,0,1]=4 462 B6R0.6 CCCCNC=O TS03902 [2,0,0,0,0,0|1,0,0]=3 463 B6R0.6 CCCCNCC TS03925 [2,0,0,0,0,0|1,0,1]=4 464 B6R0.6 CCCCOC=C TS33237 [2,0,0,0,0,0|1,0,1]=4 465 B6R0.6 CCCCOC=O TS03954 [2,0,0,0,0,0|1,0,0]=3 466 B6R0.6 CCCCOCC TS03964 [2,0,0,0,0,0|1,0,1]=4 467 B6R0.6 CCCCON=O TS31645 [2,0,0,0,0,0|2,0,0]=4 468 B6R0.6 CCCCSCC TS04749 [2,0,0,0,0,0|1,0,1]=4 469 B6R0.6 CCCCS[SnH]=O TS23939 [2,0,0,0,0,0|2,0,0]=4 470 B6R0.6 CCCSC=CC TS04637 [2,0,0,0,0,0|1,0,0]=3 471 B6R0.3 C(C(=O)C(=O)O)Br TS43180 [2,0,0,0,0,0|2,0,0]=4 472 B6R0.3 C(C(=O)C(=O)O)Cl TS04936 [2,0,0,0,0,0|2,0,0]=4 473 B6R0.3 C(C(=O)C(=O)[O-])F TS05303 [2,0,0,0,0,0|2,0,0]=4 474 B6R0.3 C(C(=O)C(=O)[O-])O TS05302 [2,0,0,0,0,0|2,0,0]=4 475 B6R0.3 C(C(=O)C(=O)[O-])S TS06647 [2,0,0,0,0,0|2,0,0]=4 476 B6R0.3 CC(=C)C(=O)NC TS03820 [2,0,0,0,0,0|2,0,0]=4 477 B6R0.3 CC(=C)C(=O)OC TS31500 [2,0,0,0,0,0|2,0,0]=4 478 B6R0.3 CC(=O)C(=O)OC TS31579 [2,0,0,0,0,0|1,0,0]=3 479 B6R0.3 CC=C(C)C(=O)C TS31447 [2,0,0,0,0,0|1,0,1]=4 480 B6R0.3 CCC(=O)C(=O)C TS03844 [2,0,0,0,0,0|0,0,0]=2 481 B6R0.3 CCC(=O)C(=O)O TS31578 [2,0,0,0,0,0|1,0,0]=3 482 B6R0.3 CCC(=O)C(=O)[O-] TS05001 [2,0,0,0,0,0|1,0,0]=3 483 B6R0.3 CCC(=O)C(C)C TS31520 [2,0,0,0,0,0|1,0,1]=4 484 B6R0.3 CCC(=O)N(C)C TS31553 [2,0,0,0,0,0|2,0,0]=4 485 B6R0.3 CCC(C(=O)C)S TS32355 [2,0,0,0,0,0|0,1,1]=4 486 B6R0.3 CCC(C)C(=O)C TS31518 [2,0,0,0,0,0|1,0,1]=4 487 B6R0.3 COC(=O)C(=O)Cl TS34587 [2,0,0,0,0,0|2,0,0]=4 488 B6R0.3 COC(=O)C(=O)N TS31629 [2,0,0,0,0,0|2,0,0]=4 489 B8R0.1 CCCC(=O)OCCC TS05549 [1,1,0,0,0,0|1,0,1]=4 490 B8R0.1 CCCCC(=O)C=CC TS05182 [1,1,0,0,0,0|0,0,0]=2 491 B8R0.1 CCCCC(=O)CCC TS36329 [1,1,0,0,0,0|0,0,1]=3 492 B8R0.1 CCCCC(=O)OC=C TS05348 [1,1,0,0,0,0|0,0,1]=3 493 B8R0.1 CCCCC(=O)OCC TS36495 [1,1,0,0,0,0|0,0,1]=3 494 B8R0.1 CCCCC(C=CC)O TS05375 [1,1,0,0,0,0|0,0,2]=4 495 B8R0.1 CCCOC(=O)C=CC TS05345 [1,1,0,0,0,0|1,0,0]=3 496 B8R0.1 CCOC(=O)CCCBr TS16550 [1,1,0,0,0,0|1,0,1]=4 497 B8R0.1 CCOC(=O)CCCCl TS93676 [1,1,0,0,0,0|1,0,1]=4 498 B8R0.1 CCOC(=O)CCCN TS43285 [1,1,0,0,0,0|1,0,1]=4 499 B8R0.1 CCOC(=O)CCC[Zn+] TS68422 [1,1,0,0,0,0|1,0,1]=4 500 B8R0.1 CCOCC(=O)OCC TS05732 [1,1,0,0,0,0|1,0,1]=4 501 B8R0.3 CC(CCCl)C(=O)OC TS09965 [1,1,0,0,0,0|2,0,0]=4 502 B8R0.3 CCCC(C(=O)OC)Br TS93475 [1,1,0,0,0,0|1,0,0]=3 503 B8R0.3 CCCC(C)C(=O)OC TS05547 [1,1,0,0,0,0|1,0,0]=3 504 B8R0.3 CCC[C@@H](C(=O)OC)N TS43284 [1,1,0,0,0,0|1,0,0]=3 505 B8R0.3 COC(=O)C(CCBr)Br TS68328 [1,1,0,0,0,0|2,0,0]=4 506 B8R0.3 COCC(C(=O)OC)Br TS53797 [1,1,0,0,0,0|2,0,0]=4 507 B8R0.6 CCCC#CC(=O)OC TS05154 [1,1,0,0,0,0|1,0,1]=4 508 B8R0.6 CCCC=CC(=O)OC TS36302 [1,1,0,0,0,0|1,0,1]=4 509 B8R0.6 CCCCCC(=O)C=C TS05201 [1,1,0,0,0,0|0,0,1]=3 510 B8R0.6 CCCCCC(=O)CC TS36343 [1,1,0,0,0,0|0,0,1]=3 511 B8R0.6 CCCCCC(=O)NO TS05662 [1,1,0,0,0,0|1,0,1]=4 512 B8R0.6 CCCCCC(=O)OC TS36499 [1,1,0,0,0,0|1,0,0]=3 513 B8R0.6 CCCCNC(=O)C=C TS05274 [1,1,0,0,0,0|0,0,1]=3 514 B8R0.6 CCCCNC(=O)CC TS36435 [1,1,0,0,0,0|0,0,1]=3 515 B8R0.6 CCCCNC(=O)CCl TS40802 [1,1,0,0,0,0|1,0,1]=4 516 B8R0.6 CCCCNC(=O)OC TS36586 [1,1,0,0,0,0|1,0,0]=3 517 B8R0.6 CCCCOC(=O)C#C TS05149 [1,1,0,0,0,0|0,0,2]=4 518 B8R0.6 CCCCOC(=O)C=C TS36291 [1,1,0,0,0,0|0,0,1]=3 519 B8R0.6 CCCCOC(=O)C=O TS36470 [1,1,0,0,0,0|0,0,0]=2 520 B8R0.6 CCCCOC(=O)CC TS05554 [1,1,0,0,0,0|0,0,1]=3 521 B8R0.6 CCCCOC(=O)CCl TS09968 [1,1,0,0,0,0|1,0,1]=4 522 B8R0.6 CCCCOC(=O)CF TS05889 [1,1,0,0,0,0|1,0,1]=4 523 B8R0.6 CCCCOC(=O)CN TS12446 [1,1,0,0,0,0|1,0,1]=4 524 B8R0.6 CCCCOC(=O)CO TS05729 [1,1,0,0,0,0|0,0,2]=4 525 B8R0.6 CCCCOC(=O)CS TS07490 [1,1,0,0,0,0|0,1,1]=4 526 B8R0.6 CCSCCC(=O)OC TS07487 [1,1,0,0,0,0|1,0,0]=3 527 B8R0.6 COC(=O)CCCC#C TS36125 [1,1,0,0,0,0|1,0,1]=4 528 B8R0.6 COC(=O)CCCC=C TS36304 [1,1,0,0,0,0|1,0,1]=4 529 B8R0.6 COC(=O)CCCC=O TS85464 [1,1,0,0,0,0|1,0,1]=4 530 B8R0.6 COC(=O)CCCCBr TS51950 [1,1,0,0,0,0|1,0,0]=3 531 B8R0.6 COC(=O)CCCCCl TS09970 [1,1,0,0,0,0|1,0,0]=3 532 B8R0.6 COCCOC(=O)C=C TS05521 [1,1,0,0,0,0|1,0,1]=4 533 B8R0.9 CC(=O)CCC(=O)OC TS05537 [1,1,0,0,0,0|1,0,1]=4 534 B8R0.9 CC(C)CCC(=O)OC TS36500 [1,1,0,0,0,0|1,0,0]=3 535 B8R0.9 CC(C)COC(=O)C=C TS05334 [1,1,0,0,0,0|1,0,1]=4 536 B8R0.9 CC(COC(=O)C=C)O TS36472 [1,1,0,0,0,0|1,0,1]=4 537 B8R0.9 CCC(=O)CCC(C)C TS05386 [1,1,0,0,0,0|0,0,1]=3 538 B8R0.9 CCC(=O)OCC(C)C TS05543 [1,1,0,0,0,0|1,0,1]=4 539 B8R0.9 CN(C)CCC(=O)OC TS36601 [1,1,0,0,0,0|2,0,0]=4 540 B8R0.11 CCCC=C(CC)C=O TS05180 [1,1,0,0,0,0|0,0,2]=4 541 B8R0.11 CCCCC(CC)C=O TS36324 [1,1,0,0,0,0|0,0,2]=4 542 B8R0.11 CCCCN(CC)N=O TS05572 [1,1,0,0,0,0|1,0,1]=4 543 B8R0.19 CCC(=O)CC(=O)CC TS36297 [1,1,0,0,0,0|0,0,2]=4 544 B8R0.19 CCC(=O)CC(=O)OC TS02305 [1,1,0,0,0,0|1,0,1]=4 545 B8R0.19 CCC(C)CC(=O)CC TS36340 [1,1,0,0,0,0|0,0,1]=3 546 B8R0.19 CCC(C)CC(=O)OC TS36498 [1,1,0,0,0,0|1,0,0]=3 547 B8R0.19 CC[C@@H](CC(=O)OC)O TS64924 [1,1,0,0,0,0|1,0,0]=3 548 B8R0.19 CC[C@H](CC(=O)OC)O TS05724 [1,1,0,0,0,0|1,0,0]=3 549 B8R0.19 COC(=O)CC(CCl)O TS22838 [1,1,0,0,0,0|2,0,0]=4 550 B8R0.19 COC(=O)C[C@@H](CCl)O TS10244 [1,1,0,0,0,0|2,0,0]=4 551 B8R0.19 COC(=O)C[C@@H](CO)O TS05870 [1,1,0,0,0,0|2,0,0]=4 552 B8R0.19 COC(=O)C[C@H](CCl)O TS10243 [1,1,0,0,0,0|2,0,0]=4 553 B8R0.5 CC(COC)OC(=O)C TS05714 [1,1,0,0,0,0|2,0,0]=4 554 B8R0.5 CCCC(=CC(=O)O)C TS36312 [1,1,0,0,0,0|1,0,1]=4 555 B8R0.5 CCCC(C)CC(=C)C TS36185 [1,1,0,0,0,0|1,0,1]=4 556 B8R0.5 CCCC(C)CC(=O)C TS05394 [1,1,0,0,0,0|0,0,1]=3 557 B8R0.5 CCCC(C)CC(=O)O TS05545 [1,1,0,0,0,0|1,0,1]=4 558 B8R0.5 CCCC(C)OC(=O)C TS05542 [1,1,0,0,0,0|1,0,0]=3 559 B8R0.5 CCC[C@H](C)CC(=O)O TS36494 [1,1,0,0,0,0|1,0,1]=4 560 B8R0.5 CCNC(=CC(=O)C)C TS05283 [1,1,0,0,0,0|1,0,1]=4 561 B8R0.7 C(CCC(=O)Cl)CCBr TS21556 [1,1,0,0,0,0|1,0,1]=4 562 B8R0.7 C(CCC(=O)Cl)CCCl TS44963 [1,1,0,0,0,0|1,0,1]=4 563 B8R0.7 C(CCC(=O)N)CCBr TS17766 [1,1,0,0,0,0|1,0,1]=4 564 B8R0.7 C(CCC(=O)N)CCN TS93750 [1,1,0,0,0,0|1,0,1]=4 565 B8R0.7 C(CCC(=O)O)CCBr TS55559 [1,1,0,0,0,0|1,0,1]=4 566 B8R0.7 C(CCC(=O)O)CCCl TS09966 [1,1,0,0,0,0|1,0,1]=4 567 B8R0.7 C(CCC(=O)O)CCN TS33197 [1,1,0,0,0,0|1,0,1]=4 568 B8R0.7 C(CCC(=O)O)CCN TS94650 [1,1,0,0,0,0|1,0,1]=4 569 B8R0.7 C(CCC(=O)O)CCO TS55607 [1,1,0,0,0,0|1,0,1]=4 570 B8R0.7 C(CCCl)COC(=O)Cl TS12954 [1,1,0,0,0,0|2,0,0]=4 571 B8R0.7 CC(=O)NCCCCN TS43167 [1,1,0,0,0,0|1,0,0]=3 572 B8R0.7 CC(=O)OCCCC#C TS05160 [1,1,0,0,0,0|1,0,1]=4 573 B8R0.7 CC(=O)OCCCC=C TS05339 [1,1,0,0,0,0|1,0,1]=4 574 B8R0.7 CC(=O)OCCCCBr TS17993 [1,1,0,0,0,0|1,0,0]=3 575 B8R0.7 CC(=O)OCCCCI TS26787 [1,1,0,0,0,0|1,0,0]=3 576 B8R0.7 CC(=O)OCCCSC TS07491 [1,1,0,0,0,0|1,0,0]=3 577 B8R0.7 CC(=O)OCCOCBr TS53799 [1,1,0,0,0,0|2,0,0]=4 578 B8R0.7 CCCC=CCC(=O)O TS36290 [1,1,0,0,0,0|1,0,1]=4 579 B8R0.7 CCCCC#CC(=C)C TS32534 [1,1,0,0,0,0|1,0,1]=4 580 B8R0.7 CCCCC#CC(=O)O TS36120 [1,1,0,0,0,0|1,0,1]=4 581 B8R0.7 CCCCC=CC(=O)C TS05179 [1,1,0,0,0,0|0,0,0]=2 582 B8R0.7 CCCCC=CC(=O)Cl TS07286 [1,1,0,0,0,0|1,0,0]=3 583 B8R0.7 CCCCC=CC(=O)O TS05335 [1,1,0,0,0,0|1,0,0]=3 584 B8R0.7 CCCCC=CC(C)O TS05371 [1,1,0,0,0,0|0,0,2]=4 585 B8R0.7 CCCCCCC(=O)C TS36325 [1,1,0,0,0,0|0,0,1]=3 586 B8R0.7 CCCCCCC(=O)Cl TS07515 [1,1,0,0,0,0|1,0,1]=4 587 B8R0.7 CCCCCCC(=O)N TS36432 [1,1,0,0,0,0|1,0,1]=4 588 B8R0.7 CCCCCCC(=O)O TS05558 [1,1,0,0,0,0|1,0,1]=4 589 B8R0.7 CCCCCCC(=O)[O-] TS10169 [1,1,0,0,0,0|1,0,1]=4 590 B8R0.7 CCCCCOC(=O)C TS05568 [1,1,0,0,0,0|0,0,1]=3 591 B8R0.7 CCCCCOC(=O)Cl TS59753 [1,1,0,0,0,0|1,0,1]=4 592 B8R0.7 CCCCOCC(=O)O TS05720 [1,1,0,0,0,0|1,0,1]=4 593 B8R0.7 CCOCCOC(=O)C TS05728 [1,1,0,0,0,0|1,0,0]=3 594 B8R0.7 CCOCCOC(=O)Cl TS10247 [1,1,0,0,0,0|2,0,0]=4 595 B8R0.21 CCCCOS(=O)(=O)C TS41164 [1,1,0,0,0,0|2,0,0]=4 596 B8R0.28 CC(=CCCC(=O)C)C TS36151 [1,1,0,0,0,0|1,0,1]=4 597 B8R0.28 CC(=O)OCCN(C)C TS36594 [1,1,0,0,0,0|2,0,0]=4 598 B8R0.28 CC(C)CC=CC(=O)C TS05196 [1,1,0,0,0,0|0,0,1]=3 599 B8R0.28 CC(C)CCCC(=C)C TS05218 [1,1,0,0,0,0|1,0,1]=4 600 B8R0.28 CC(C)CCCC(=O)O TS36507 [1,1,0,0,0,0|1,0,1]=4 601 B8R0.28 CC(C)CCNC(=O)C TS36434 [1,1,0,0,0,0|1,0,0]=3 602 B8R0.28 CC(C)CCOC(=O)C TS05553 [1,1,0,0,0,0|1,0,0]=3 603 B8R0.28 CC(C)OCCC(=O)C TS05569 [1,1,0,0,0,0|1,0,1]=4 604 B8R0.2 CCC(C)C(=O)C(=O)O TS05535 [1,1,0,0,0,0|1,0,0]=3 605 B8R0.2 CCC(C)C(=O)C(=O)[O-] TS41092 [1,1,0,0,0,0|1,0,0]=3 606 B8R0.2 CCC(C)C(=O)C(=O)[O-] TS56035 [1,1,0,0,0,0|1,0,0]=3 607 B8R0.2 CCC(C)C(=O)C(C)C TS05377 [1,1,0,0,0,0|1,0,1]=4 608 B8R0.2 CCC(C)C(C)C(=O)C TS05380 [1,1,0,0,0,0|1,0,1]=4 609 B8R0.2 CC[C@H](C)C(=O)C(=O)[O-] TS56033 [1,1,0,0,0,0|1,0,0]=3 610 B8R0.14 CCCC(=O)C(C)(C)C TS05378 [1,1,0,0,0,0|1,0,1]=4 611 B8R0.23 CC(C)CC(=O)C(=O)C TS36294 [1,1,0,0,0,0|0,0,0]=2 612 B8R0.23 CC(C)CC(=O)C(=O)O TS05517 [1,1,0,0,0,0|1,0,0]=3 613 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS41088 [1,1,0,0,0,0|1,0,0]=3 614 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS56034 [1,1,0,0,0,0|1,0,0]=3 615 B8R0.23 CC(C)CC(=O)C(C)C TS36332 [1,1,0,0,0,0|1,0,1]=4 616 B8R0.23 CC(C)NC(=O)C(=C)C TS05277 [1,1,0,0,0,0|2,0,0]=4 617 B8R0.23 CC(C)OC(=O)C(=C)C TS05342 [1,1,0,0,0,0|2,0,0]=4 618 B10R0.6 CC(=O)CC(=O)OCCOC TS11211 [0,1,0,0,0,1|1,0,0]=3 619 B10R0.6 CCCCCC(=O)CC(=O)C TS10719 [0,1,0,0,0,1|0,0,0]=2 620 B10R0.6 CCCCCC(=O)CC(C)C TS10751 [0,1,0,0,0,1|1,0,1]=4 621 B10R0.6 CCCCCC(=O)OC(C)C TS11030 [0,1,0,0,0,1|1,0,1]=4 622 B10R0.6 CCCCOC(=O)CC(=O)C TS41890 [0,1,0,0,0,1|0,0,0]=2 623 B10R0.6 CCCCOC(=O)CC(C)C TS41947 [0,1,0,0,0,1|1,0,1]=4 624 B10R0.18 CCCCC(=O)CC(=O)OC TS41895 [0,1,0,0,0,1|0,0,0]=2 625 B10R0.18 COCCC(=O)CC(=O)OC TS11223 [0,1,0,0,0,1|1,0,0]=3 626 B10R0.32 CCOC(=O)C(=O)CC(=O)C TS59537 [0,1,0,0,0,1|1,0,1]=4 627 B10R0.44 CCC(C)NC(=O)CC(=O)C TS10870 [0,1,0,0,0,1|1,0,0]=3 628 B10R0.44 CCC(C)OC(=O)CC(=O)C TS41893 [0,1,0,0,0,1|1,0,0]=3 629 B10R0.96 CC(=O)CC(=O)CCC(=O)O TS10957 [0,1,0,0,0,1|1,0,1]=4 630 B10R0.96 CC(C)COC(=O)CC(=O)C TS41891 [0,1,0,0,0,1|1,0,0]=3 631 B10R0.5 CCCCCC(=O)C(C)(C)C TS10755 [0,2,0,0,0,0|1,0,1]=4 632 B10R0.35 CCCC(C)C(=O)C(C)CC TS10759 [0,2,0,0,0,0|1,0,1]=4 633 B10R0.57 CC=C(C)C(=O)OCC(C)C TS41633 [0,2,0,0,0,0|2,0,0]=4 634 B10R0.57 CC=C(C)C(=O)OCC(C)C TS41653 [0,2,0,0,0,0|2,0,0]=4 635 B10R0.82 CC(=C)C(=O)OCC(CBr)Br TS54882 [0,2,0,0,0,0|2,0,0]=4 636 B10R0.82 CC(=C)C(=O)OCC(CCl)O TS47627 [0,2,0,0,0,0|2,0,0]=4 637 B10R0.82 CC(=C)C(=O)OCC(CO)O TS11219 [0,2,0,0,0,0|2,0,0]=4 638 B10R0.82 CCC(C)COC(=O)C(=C)C TS41651 [0,2,0,0,0,0|1,0,0]=3 639 B10R0.19 CCCCC(=O)C(=O)OCC TS55416 [0,2,0,0,0,0|0,0,0]=2 640 B10R0.19 CCCCC(=O)C(C)CCC TS10768 [0,2,0,0,0,0|1,0,1]=4 641 B10R0.19 CCCCC(C(=O)OCC)Br TS50262 [0,2,0,0,0,0|1,0,1]=4 642 B10R0.21 CCCCC(=O)C(CC)CC TS10767 [0,2,0,0,0,0|1,0,1]=4 643 B10R0.83 CCCCCC(=O)C(C)CC TS10757 [0,2,0,0,0,0|1,0,1]=4 644 B10R0.83 CCCCOC(=O)C(=C)C#N TS08621 [0,2,0,0,0,0|1,0,1]=4 645 B10R0.83 CCCCOC(=O)C(=CC)C TS10715 [0,2,0,0,0,0|1,0,0]=3 646 B10R0.83 CCCCOC(=O)C(C)CC TS11025 [0,2,0,0,0,0|1,0,1]=4 647 B10R0.83 CCCCOC(=O)C(CC)Br TS50271 [0,2,0,0,0,0|1,0,1]=4 648 B10R0.83 COC(=O)[C@H](CCCCN)N TS25355 [0,2,0,0,0,0|1,0,1]=4 649 B10R0.124 CCCCC(C)(C)C(=O)OC TS11039 [0,2,0,0,0,0|1,0,1]=4 650 B10R0.17 CCCCC(C(=O)O)C(=O)O TS11215 [0,2,0,0,0,0|1,0,1]=4 651 B10R0.17 CCOC=C(C(=O)C)C(=O)C TS10682 [0,2,0,0,0,0|1,0,1]=4 652 B10R0.26 CCCC(C)CC(C)C(=O)C TS41688 [0,2,0,0,0,0|1,0,1]=4 653 B10R0.67 CCC(C)(C)OC(=O)C(=C)C TS41650 [0,2,0,0,0,0|2,0,0]=4 654 B10R0.75 CCCCCCC(=O)C(=O)O TS10976 [0,2,0,0,0,0|1,0,0]=3 655 B10R0.75 CCCCCCC(=O)C(C)C TS10772 [0,2,0,0,0,0|1,0,1]=4 656 B10R0.75 CCCCCCC(=O)N(C)C TS10894 [0,2,0,0,0,0|2,0,0]=4 657 B10R0.75 CCCCCOC(=O)C(C)C TS11028 [0,2,0,0,0,0|1,0,1]=4 658 B10R0.75 CCCCCOC(=O)C(C)O TS11274 [0,2,0,0,0,0|0,0,2]=4 659 B10R0.75 CCOCCOC(=O)C(=C)C TS41902 [0,2,0,0,0,0|1,0,0]=3 660 B10R0.75 CCOCCOC(=O)C(C)C TS11276 [0,2,0,0,0,0|1,0,1]=4 661 B10R0.75 CCSCCOC(=O)C(=C)C TS45827 [0,2,0,0,0,0|1,0,0]=3 662 B10R0.98 CC(=C)C(=O)NCCN(C)C TS10736 [0,2,0,0,0,0|2,0,0]=4 663 B10R0.98 CC(=C)C(=O)OCCN(C)C TS10872 [0,2,0,0,0,0|2,0,0]=4 664 B10R0.98 CC(C)CCOC(=O)C(=C)C TS41645 [0,2,0,0,0,0|1,0,0]=3 665 B10R0.98 CC(C)CCOC(=O)C(=O)C TS41906 [0,2,0,0,0,0|0,0,0]=2 666 B10R0.98 CC(C)CCOC(=O)C(C)C TS41945 [0,2,0,0,0,0|1,0,1]=4 667 B10R0.98 CC(C)CCOC(=O)C(C)O TS11281 [0,2,0,0,0,0|0,0,2]=4 668 B8R1.1 C1C(CNC1=O)CN TS85675 [1,0,0,1,0,0|2,0,0]=4 669 B8R1.1 C1C(CNC1=O)CO TS89668 [1,0,0,1,0,0|2,0,0]=4 670 B8R1.1 C1[C@@H](CNC1=O)CN TS92937 [1,0,0,1,0,0|2,0,0]=4 671 B8R1.1 C1[C@H](CNC1=O)CN TS92288 [1,0,0,1,0,0|2,0,0]=4 672 B8R1.1 CCC1CCC(=O)C1 TS31941 [1,0,0,1,0,0|0,0,1]=3 673 B8R1.1 CCC1CCC(=O)O1 TS04438 [1,0,0,1,0,0|1,0,1]=4 674 B8R1.2 C1CC(=COC1)C=O TS31909 [1,0,0,1,0,0|2,0,0]=4 675 B8R1.2 C1CCC(=CC1)C=O TS31838 [1,0,0,1,0,0|1,0,0]=3 676 B8R1.2 C1CCC(CC1)C=O TS01404 [1,0,0,1,0,0|1,0,1]=4 677 B8R1.2 C1CCN(CC1)C=O TS56398 [1,0,0,1,0,0|2,0,0]=4 678 B8R1.2 C1CCNC(C1)C=O TS04396 [1,0,0,1,0,0|1,0,1]=4 679 B8R1.2 C1COCC(=C1)C=O TS31902 [1,0,0,1,0,0|2,0,0]=4 680 B8R1.2 CCC1=CCCCC1 TS31842 [1,0,0,1,0,0|1,0,1]=4 681 B8R1.2 COC1=CCCCC1 TS04308 [1,0,0,1,0,0|2,0,0]=4 682 B8R1.2 COC1=NCCCC1 TS04387 [1,0,0,1,0,0|2,0,0]=4 683 B8R1.3 C1CC(=O)CCC1O TS94873 [1,0,0,1,0,0|1,0,1]=4 684 B8R1.3 C1CC(=O)NCC1N TS88548 [1,0,0,1,0,0|2,0,0]=4 685 B8R1.3 CC1CCC(=O)CC1 TS39765 [1,0,0,1,0,0|0,0,1]=3 686 B8R1.3 CN1CCC(=O)CC1 TS00486 [1,0,0,1,0,0|1,0,1]=4 687 B8R1.5 C1CCC(=O)C(=O)C1 TS46777 [1,0,0,1,0,0|0,0,0]=2 688 B8R1.5 C1CCC(=O)C(C1)Br TS55160 [1,0,0,1,0,0|1,0,1]=4 689 B8R1.5 C1CCC(=O)C(C1)Cl TS36731 [1,0,0,1,0,0|1,0,1]=4 690 B8R1.5 C1CCC(=O)C(C1)O TS32072 [1,0,0,1,0,0|0,0,2]=4 691 B8R1.5 C1CCN(C(=O)C1)N TS32084 [1,0,0,1,0,0|2,0,0]=4 692 B8R1.5 C1CNC(=O)C(=O)N1 TS32054 [1,0,0,1,0,0|2,0,0]=4 693 B8R1.5 CC1=C(CCCC1)C TS31858 [1,0,0,1,0,0|1,0,0]=3 694 B8R1.5 CC1=CCCCC1=O TS31839 [1,0,0,1,0,0|0,0,1]=3 695 B8R1.5 CC1CCCCC1=C TS31851 [1,0,0,1,0,0|1,0,1]=4 696 B8R1.5 CC1CCCCC1=O TS01136 [1,0,0,1,0,0|0,0,1]=3 697 B8R1.5 CC1CCNCC1=O TS92225 [1,0,0,1,0,0|1,0,1]=4 698 B8R1.5 CC1CNCCC1=O TS02832 [1,0,0,1,0,0|1,0,1]=4 699 B8R1.5 CC1CNCCC1=O TS70671 [1,0,0,1,0,0|1,0,1]=4 700 B8R1.5 CC1COCCC1=O TS89718 [1,0,0,1,0,0|1,0,1]=4 701 B8R1.5 CN1CCCCC1=O TS04393 [1,0,0,1,0,0|1,0,0]=3 702 B8R1.5 CN1CCNCC1=O TS89214 [1,0,0,1,0,0|2,0,0]=4 703 B8R1.22 C1CC(=O)CCNC1 TS89498 [1,0,0,1,0,0|1,0,1]=4 704 B8R1.22 C1CCC(=O)C=CC1 TS01401 [1,0,0,1,0,0|0,0,1]=3 705 B8R1.22 C1CCC(=O)NCC1 TS04386 [1,0,0,1,0,0|1,0,0]=3 706 B8R1.22 C1CCC(=O)NCC1 TS49157 [1,0,0,1,0,0|1,0,0]=3 707 B8R1.22 C1CCC(=O)OCC1 TS59735 [1,0,0,1,0,0|1,0,0]=3 708 B8R1.22 C1CCC(=S)NCC1 TS05487 [1,0,0,1,0,0|1,1,0]=4 709 B8R1.22 C1CCCC(=O)CC1 TS31926 [1,0,0,1,0,0|0,0,1]=3 710 B8R1.22 C1CNCC(=O)NC1 TS32078 [1,0,0,1,0,0|2,0,0]=4 711 B8R1.22 C1COCCNC1=O TS04534 [1,0,0,1,0,0|2,0,0]=4 712 B8R1.22 CC1=CCCCCC1 TS04216 [1,0,0,1,0,0|1,0,0]=3 713 B8R1.38 C1CC(C1)C(=O)NN TS90294 [1,0,0,1,0,0|2,0,0]=4 714 B8R1.38 COC(=O)C1CCC1 TS32060 [1,0,0,1,0,0|1,0,0]=3 715 B8R1.38 COC(=O)C1CCN1 TS01748 [1,0,0,1,0,0|2,0,0]=4 716 B8R1.38 COC(=O)C1CNC1 TS41065 [1,0,0,1,0,0|2,0,0]=4 717 B8R1.38 COC(=O)[C@@H]1CCN1 TS86979 [1,0,0,1,0,0|2,0,0]=4 718 B8R1.38 COC(=O)[C@H]1CCN1 TS91415 [1,0,0,1,0,0|2,0,0]=4 719 B8R1.40 COC(=O)CC1CC1 TS88176 [1,0,0,1,0,0|1,0,0]=3 720 B8R1.40 COC(=O)NC1CC1 TS04530 [1,0,0,1,0,0|2,0,0]=4 721 B8R1.50 CC1=C(C(=O)CC1)Br TS13616 [1,0,0,1,0,0|1,0,1]=4 722 B8R1.50 CC1CCC(=C1C)C TS31847 [1,0,0,1,0,0|1,0,0]=3 723 B8R1.50 CC1CCC(=O)N1C TS04391 [1,0,0,1,0,0|1,0,0]=3 724 B8R1.50 CN1C(CCC1=O)O TS04533 [1,0,0,1,0,0|2,0,0]=4 725 B8R1.4 C1CNC(=O)CC1N TS02971 [1,0,0,1,0,0|2,0,0]=4 726 B8R1.4 C1CNC(=O)CC1O TS03134 [1,0,0,1,0,0|2,0,0]=4 727 B8R1.4 C1CNC(=O)C[C@@H]1O TS04536 [1,0,0,1,0,0|2,0,0]=4 728 B8R1.4 CC1CC(=O)CCN1 TS59976 [1,0,0,1,0,0|1,0,1]=4 729 B8R1.4 CC1CC(=O)CCO1 TS87534 [1,0,0,1,0,0|1,0,1]=4 730 B8R1.4 CC1CCCC(=C1)C TS48310 [1,0,0,1,0,0|1,0,1]=4 731 B8R1.4 CC1CCCC(=O)O1 TS04447 [1,0,0,1,0,0|1,0,1]=4 732 B8R1.4 CC1CCNC(=N)C1 TS45483 [1,0,0,1,0,0|2,0,0]=4 733 B8R1.4 CC1CCOC(=O)C1 TS32063 [1,0,0,1,0,0|1,0,0]=3 734 B8R1.4 CN1CCC=C(C1)Br TS21402 [1,0,0,1,0,0|2,0,0]=4 735 B8R1.4 CN1CCCC(=O)C1 TS46998 [1,0,0,1,0,0|1,0,1]=4 736 B8R1.4 C[C@@H]1CC(=O)CCO1 TS91794 [1,0,0,1,0,0|1,0,1]=4 737 B8R1.4 C[C@@H]1CCCC(=O)C1 TS31940 [1,0,0,1,0,0|0,0,1]=3 738 B8R1.4 C[C@@H]1CCCC(=O)O1 TS04430 [1,0,0,1,0,0|1,0,1]=4 739 B8R1.4 C[C@H]1CC(=O)CCO1 TS86799 [1,0,0,1,0,0|1,0,1]=4 740 B8R1.6 CCCC1CC(=O)N1 TS32013 [1,0,0,1,0,0|1,0,0]=3 741 B8R1.7 C1CC=C(C1)C(=O)O TS60207 [1,0,0,1,0,0|1,0,1]=4 742 B8R1.7 C1CCC(C1)C(=O)Cl TS36732 [1,0,0,1,0,0|1,0,1]=4 743 B8R1.7 C1CCC(C1)C(=O)N TS04395 [1,0,0,1,0,0|1,0,1]=4 744 B8R1.7 C1CCC(C1)C(=O)O TS55824 [1,0,0,1,0,0|1,0,1]=4 745 B8R1.7 C1CCN(C1)C(=O)Cl TS08208 [1,0,0,1,0,0|2,0,0]=4 746 B8R1.7 CC(=O)C1=CCCC1 TS31835 [1,0,0,1,0,0|0,0,1]=3 747 B8R1.7 CC(=O)C1=NCCS1 TS05468 [1,0,0,1,0,0|2,0,0]=4 748 B8R1.7 CC(=O)C1CCCC1 TS46943 [1,0,0,1,0,0|0,0,1]=3 749 B8R1.7 CC(=O)C1CCCC1 TS52586 [1,0,0,1,0,0|0,0,1]=3 750 B8R1.7 CC(=O)N1CCCC1 TS32010 [1,0,0,1,0,0|1,0,0]=3 751 B8R1.34 C1CC(C1)CC(=O)O TS32065 [1,0,0,1,0,0|1,0,1]=4 752 B8R1.34 CC(=O)NC1CNC1 TS88876 [1,0,0,1,0,0|2,0,0]=4 753 B8R1.34 CC(=O)SC1CNC1 TS87916 [1,0,0,1,0,0|2,0,0]=4 754 B8R1.35 C1CC1CCC(=O)O TS04433 [1,0,0,1,0,0|1,0,1]=4 755 B8R1.18 CC1CC(=C)C(=O)O1 TS31903 [1,0,0,1,0,0|2,0,0]=4 756 B8R1.18 CC1CC(=O)N(N1)C TS32083 [1,0,0,1,0,0|2,0,0]=4 757 B8R1.54 CN(C)C(=O)C1CC1 TS32014 [1,0,0,1,0,0|2,0,0]=4 758 B10R1.8 CCC1CC(=CC(=O)C1)C TS37224 [0,0,0,1,0,1|1,0,0]=3 759 B10R1.8 CCC1CC(=O)CC(=O)C1 TS41889 [0,0,0,1,0,1|0,0,0]=2 760 B10R1.16 CCCCC1CCC(=O)O1 TS37606 [0,0,0,1,0,1|1,0,1]=4 761 B10R1.16 CCCCc1ccc(s1)C TS10505 [0,0,0,1,0,1|2,0,0]=4 762 B10R1.18 C1CCC(=CC1)CC(=O)O TS46941 [0,0,0,1,0,1|2,0,0]=4 763 B10R1.18 CC(=O)CC1=CCCCC1 TS37218 [0,0,0,1,0,1|1,0,0]=3 764 B10R1.18 CC(=O)CC1CCCCC1 TS06510 [0,0,0,1,0,1|1,0,1]=4 765 B10R1.18 CC(=O)OC1=CCCCC1 TS06468 [0,0,0,1,0,1|1,0,0]=3 766 B10R1.18 CC(=O)OC1CCCCC1 TS37599 [0,0,0,1,0,1|1,0,1]=4 767 B10R1.61 C1CCC(=O)C(C1)C(=O)N TS06586 [0,0,0,1,0,1|1,0,0]=3 768 B10R1.61 C1CNCC(C1=O)C(=O)O TS02247 [0,0,0,1,0,1|2,0,0]=4 769 B10R1.61 CC(C)C1CCCCC1=O TS06491 [0,0,0,1,0,1|1,0,1]=4 770 B10R1.130 C=CCC1CC(=O)OC1=O TS37336 [0,0,0,1,0,1|0,0,2]=4 771 B10R1.130 CCCC1C(=O)NC(=O)N1 TS06671 [0,0,0,1,0,1|1,0,0]=3 772 B10R1.192 CC(=O)N1C(=O)CCC1=O TS37469 [0,0,0,1,0,1|1,0,1]=4 773 B10R1.23 CC(=O)N(C)C1CCNC1 TS37621 [0,1,0,1,0,0|2,0,0]=4 774 B10R1.23 CC(=O)N(C)[C@@H]1CCNC1 TS89678 [0,1,0,1,0,0|2,0,0]=4 775 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 TS92786 [0,1,0,1,0,0|2,0,0]=4 776 B10R1.23 CN(C)C(=O)C1CCCN1 TS06727 [0,1,0,1,0,0|2,0,0]=4 777 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 TS06736 [0,1,0,1,0,0|2,0,0]=4 778 B10R1.23 CN(C)C(=O)[C@H]1CCCN1 TS90455 [0,1,0,1,0,0|2,0,0]=4 779 B10R1.275 CN1CCCC[C@@H](C1=O)N TS06730 [0,1,0,1,0,0|1,0,1]=4 780 B10R1.301 CC1CCCC(C1=O)(C)C TS06508 [0,1,0,1,0,0|1,0,1]=4 781 B10R1.13 CC(=O)N1CCC(CC1)N TS46835 [0,1,0,1,0,0|2,0,0]=4 782 B10R1.13 CC(=O)N1CCC(CC1)O TS86002 [0,1,0,1,0,0|2,0,0]=4 783 B10R1.205 CC(=C)C(=O)OCC1CO1 TS39871 [0,1,0,1,0,0|2,0,0]=4 784 B10R1.7 C1CCCC(=O)C(CC1)Cl TS11339 [0,1,0,1,0,0|1,0,1]=4 785 B10R1.15 C1CCC(CC1)C(=O)CBr TS55069 [0,1,0,1,0,0|1,0,1]=4 786 B10R1.15 C1CCN(CC1)C(=O)CCl TS42362 [0,1,0,1,0,0|2,0,0]=4 787 B10R1.15 C1CCN(CC1)C(=O)CN TS14309 [0,1,0,1,0,0|2,0,0]=4 788 B10R1.15 CCC(=O)C1CCCCC1 TS06498 [0,1,0,1,0,0|1,0,1]=4 789 B10R1.15 COC(=O)C1=CCCCC1 TS37383 [0,1,0,1,0,0|1,0,0]=3 790 B10R1.15 COC(=O)C1=CCCNC1 TS23394 [0,1,0,1,0,0|2,0,0]=4 791 B10R1.15 COC(=O)C1=CCOCC1 TS06658 [0,1,0,1,0,0|2,0,0]=4 792 B10R1.15 COC(=O)C1CCCCC1 TS37591 [0,1,0,1,0,0|1,0,1]=4 793 B10R1.15 COC(=O)C1CCCCN1 TS14488 [0,1,0,1,0,0|1,0,1]=4 794 B10R1.15 COC(=O)[C@@H]1CCCCN1 TS06850 [0,1,0,1,0,0|1,0,1]=4 795 B10R1.15 COC(=O)[C@@H]1CCCCN1 TS46674 [0,1,0,1,0,0|1,0,1]=4 796 B10R1.15 COC(=O)[C@H]1CCCCN1 TS06858 [0,1,0,1,0,0|1,0,1]=4 797 B10R1.15 COC(=O)[C@H]1CCCCN1 TS14490 [0,1,0,1,0,0|1,0,1]=4 798 B10R1.19 C1CCC(=O)N(CC1)CO TS40089 [0,1,0,1,0,0|1,0,1]=4 799 B10R1.19 C=CN1CCCCCC1=O TS37307 [0,1,0,1,0,0|2,0,0]=4 800 B10R1.29 CCCCC1CCCC1=O TS37410 [0,1,0,1,0,0|1,0,1]=4 801 B10R1.29 CCCCN1CCCC1=O TS06602 [0,1,0,1,0,0|2,0,0]=4 802 B10R1.176 CN1CCC(CC1=O)CN TS87165 [0,1,0,1,0,0|2,0,0]=4 803 B10R1.176 CN1CCC(CC1=O)CO TS89046 [0,1,0,1,0,0|2,0,0]=4 804 B10R1.230 CC1(CCCCC1=O)NO TS14487 [0,1,0,1,0,0|0,0,2]=4 805 B10R1.348 CC(=C1CCCCCC1)C TS37233 [0,1,0,1,0,0|2,0,0]=4 806 B10R1.348 CC(=O)N1CCCNCC1 TS06733 [0,1,0,1,0,0|2,0,0]=4 807 B10R1.113 CC1CCCN(C1)C(=O)C TS06612 [0,1,0,1,0,0|2,0,0]=4 808 B10R1.131 CCCC1=NN(C(=O)C1)C TS06482 [0,1,0,1,0,0|2,0,0]=4 809 B10R1.262 CCOC1CC(=O)C1(C)C TS89080 [0,1,0,1,0,0|1,0,1]=4 810 B10R1.363 CC(=O)C1(CCCCC1)O TS37611 [0,1,0,1,0,0|0,0,2]=4 811 B10R2.178 C1CC2C(=O)CCC1N2 TS92148 [0,0,0,2,0,0|1,0,1]=4 812 B10R0.78 CCCCC(=O)CCC(C)C TS10761 [0,0,0,0,0,2|1,0,1]=4 813 B10R0.78 CCCCC(=O)OCC(C)C TS11032 [0,0,0,0,0,2|1,0,1]=4