0 B10R1.18 C1CC(CNC1)CC(=O)O TS14484 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.18 C1CC(CNC1)CC(=O)O TS86609 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.18 C1CCC(=CC1)CC(=O)O TS46941 [0,0,0,0,0,0|0,0,2]=2 3 B10R1.18 C1CCC(=CC1)C[N+](=O)[O-] TS06594 [0,0,0,0,0,0|1,0,3]=4 4 B10R1.18 C1CCC(CC1)CC(=O)O TS06711 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.18 C1CCC(CC1)NC(=O)N TS06732 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 C1CCC(CC1)NC(=S)N TS11048 [0,0,0,0,0,0|2,1,0]=3 7 B10R1.18 C1CCC(CC1)OC(=O)Cl TS11630 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.18 C1CCC(CC1)O[N+](=O)[O-] TS07074 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.18 C1CCN(CC1)CC(=O)O TS06867 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.18 C1CCOC(C1)CC(=O)O TS60188 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.18 C1CN(CCN1)CC(=O)N TS47806 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.18 C1CN(CCN1)CC(=O)O TS11551 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.18 C1CNCC=C1CP(=O)O TS42262 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.18 C1CNCCC1CC(=O)N TS85244 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.18 C1CNCCC1CC(=O)O TS87660 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.18 C1CNCCC1NC(=O)N TS47807 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.18 C1COC(CN1)CC(=O)O TS40294 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.18 C1COCC(N1)CC(=O)O TS40297 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.18 C1COCCC1=CC(=O)O TS32767 [0,0,0,0,0,0|1,0,2]=3 20 B10R1.18 C1COCCC1CC(=O)O TS02099 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.18 C1COCCN1CC(=O)O TS14840 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.18 C1CSCCN1CC(=O)O TS11431 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.18 CC(=C)CC1CCCCC1 TS06328 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.18 CC(=O)CC1=CCCCC1 TS37218 [0,0,0,0,0,0|1,0,2]=3 25 B10R1.18 CC(=O)CC1CCCCC1 TS06510 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.18 CC(=O)NC1CCCNC1 TS16730 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.18 CC(=O)NC1CCNCC1 TS06734 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.18 CC(=O)OC1=CCCCC1 TS06468 [0,0,0,0,0,0|2,0,2]=4 29 B10R1.18 CC(=O)OC1CCCCC1 TS37599 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.18 CC(C)CC1CCCCC1 TS06527 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.18 CC(C)NC1CCCCC1 TS37519 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.18 CC(CN1CCCCC1)N TS06770 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.18 CC(CN1CCCCC1)O TS40106 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.18 CC(CN1CCOCC1)O TS07104 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.18 CC(CN1CCSCC1)O TS11445 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.18 CN(C)CC1CCCCC1 TS37520 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.18 CN(C)CC1CCCNC1 TS37645 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.18 CN(C)C[C@@H]1CCCNC1 TS37653 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.8 C#CCC1CCCCC1 TS32527 [1,0,0,0,0,0|1,0,1]=3 40 B9R1.8 C1CC(CNC1)CCN TS19166 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.8 C1CC(CNC1)CCO TS32945 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.8 C1CCC(=CC1)NC=O TS36064 [1,0,0,0,0,0|1,0,2]=4 43 B9R1.8 C1CCC(CC1)CC#N TS34561 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.8 C1CCC(CC1)CCBr TS17234 [1,0,0,0,0,0|1,0,1]=3 45 B9R1.8 C1CCC(CC1)CCN TS11778 [1,0,0,0,0,0|1,0,1]=3 46 B9R1.8 C1CCC(CC1)CCN TS36254 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.8 C1CCC(CC1)CNN TS11969 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 C1CCC(CC1)CNN TS36365 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 C1CCC(CC1)CON TS05475 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.8 C1CCC(CC1)N=C=O TS22947 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.8 C1CCC(CC1)N=C=S TS06615 [1,0,0,0,0,0|1,1,1]=4 52 B9R1.8 C1CCC(CC1)NC=O TS05278 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.8 C1CCC(CC1)OC=O TS05353 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.8 C1CCN(CC1)CC#N TS36020 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.8 C1CCN(CC1)CCCl TS07395 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.8 C1CCN(CC1)CCCl TS15231 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.8 C1CCN(CC1)CCN TS22816 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.8 C1CCN(CC1)CCO TS05482 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.8 C1CCNC(C1)CCCl TS15228 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.8 C1CCNC(C1)CCN TS19169 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 C1CCNC(C1)CCO TS02459 [1,0,0,0,0,0|1,0,1]=3 62 B9R1.8 C1CCOC(C1)CCN TS05479 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 C1CN(CCN1)CCO TS56335 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.8 C1CNCCC1CCO TS71281 [1,0,0,0,0,0|1,0,1]=3 65 B9R1.8 C1CN[C@H](CN1)CCO TS19527 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 C1COCCC1CC#N TS36059 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 C1COCCC1CC=O TS88204 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.8 C1COCCC1CCBr TS70729 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.8 C1COCCC1CCN TS09523 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.8 C1COCCC1CCN TS12114 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.8 C1COCCC1CCO TS60058 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.8 C1COCCN1CCO TS36591 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.8 C1CSCCN1CCO TS23011 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.8 C=C=CC1CCCCC1 TS32530 [1,0,0,0,0,0|1,0,2]=4 75 B9R1.8 C=CC=C1CCCCC1 TS32533 [1,0,0,0,0,0|1,0,2]=4 76 B9R1.8 C=CCC1=CCCCC1 TS32535 [1,0,0,0,0,0|1,0,2]=4 77 B9R1.8 C=CCC1CCCCC1 TS05041 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.8 C=CCC1CCCCC1 TS15012 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.8 C=CCN1CCCCC1 TS05115 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.8 C=CCN1CCNCC1 TS36166 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.8 C=CCN1CCOCC1 TS05279 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.8 C=COC1CCCCC1 TS05195 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.8 CC#CC1CCCCC1 TS04925 [1,0,0,0,0,0|1,0,2]=4 84 B9R1.8 CCCC1CCCCC1 TS36184 [1,0,0,0,0,0|1,0,1]=3 85 B9R1.8 CCCC1CCCCN1 TS02180 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 CCCC1CCCCN1 TS11779 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.8 CCCC1CCCCO1 TS05388 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.8 CCCC1CCNCC1 TS11777 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.8 CCCC1CCNCC1 TS36258 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.8 CCNC1CCCCC1 TS36260 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.8 CNCC1CCCCO1 TS36422 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.8 CNCC1CCNCC1 TS36354 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.8 CNCC1CCOCC1 TS60138 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.8 COCC1CCNCC1 TS05477 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.8 COCC1CCNCC1 TS87684 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.8 COC[C@@H]1CCCCN1 TS85176 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.20 C1CS(=O)CCN1CC(=O)O TS46288 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.20 CC(=O)NC1CCC(=O)CC1 TS08597 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.20 CC(=O)NC1CCC(CC1)O TS10867 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.20 CC(=O)OC1CCC(=O)CC1 TS10679 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.20 CC(=O)OC1CCN(CC1)C TS17747 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.20 CC1CCC(CC1)OC(=O)C TS41644 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.20 CN1CCC(CC1)CC(=O)O TS88091 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.20 CN1CCN(CC1)CC(=O)O TS71228 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.20 C[C@H]1CC[C@@H](CC1)CC(=O)O TS41634 [0,1,0,0,0,0|0,0,0]=1 106 B11R1.36 C1CC(CC=C1)C(C(=O)O)N TS10587 [0,1,0,0,0,0|0,0,2]=3 107 B11R1.36 C1CC(CC=C1)C(O)[P+](=O)O TS13788 [0,1,0,0,0,0|1,0,2]=4 108 B11R1.36 C1CC(CNC1)C(C(=O)O)N TS10996 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.36 C1CCC(CC1)C(C(=O)O)N TS09168 [0,1,0,0,0,0|0,0,0]=1 110 B11R1.36 C1CCC(CC1)C(C(=O)O)O TS41905 [0,1,0,0,0,0|0,0,0]=1 111 B11R1.36 C1CCC(CC1)[C@@H](C(=O)O)O TS41892 [0,1,0,0,0,0|0,0,0]=1 112 B11R1.36 C1CCC(CC1)[C@H](C(=O)O)N TS17745 [0,1,0,0,0,0|0,0,0]=1 113 B11R1.36 C1CN(CCN1)C(=O)C(=O)O TS41866 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.36 C1CNCCC1[C@@H](C(=O)O)N TS11002 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.36 C1COCCC1C(C(=O)O)N TS42029 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.36 C1COCCC1C(C(=O)O)N TS85555 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.36 C1COCCC1[C@@H](C(=O)O)N TS08121 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.36 C1COCCC1[C@H](C(=O)O)N TS42026 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.36 CC(=O)N(C)C1CCCNC1 TS86286 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.36 CC(=O)N(C)C1CCNCC1 TS87439 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.36 CC(=O)N(C)[C@@H]1CCCNC1 TS92530 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 TS91999 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.40 C1CCC(CC1)C=C(CO)Br TS22544 [0,1,0,0,0,0|1,0,1]=3 124 B11R1.40 C1CCC(CC1)C[C@@H](CO)N TS33129 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.40 C1CCC(CC1)NC(=O)CCl TS46019 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.40 C1CCC(CC1)NC(=O)CN TS39645 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.40 C1CCC(CC1)NC(=O)CN TS41668 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.40 C1CCC(CC1)NC(=O)NN TS10884 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.40 C1CCC(CC1)NC(=S)NN TS45673 [0,1,0,0,0,0|2,1,0]=4 130 B11R1.40 C1CCC(CC1)OC(=O)CCl TS46197 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.40 C1CCN(CC1)CC(CO)O TS11167 [0,1,0,0,0,0|1,0,2]=4 132 B11R1.40 C=CC(=O)NC1CCCCC1 TS41301 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.40 C=CC(=O)OC1CCCCC1 TS41402 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.40 CC(CN1CCCCC1)CO TS10892 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.40 CCC(=O)OC1CCCCC1 TS41643 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.40 CCC(=O)OC1CCNCC1 TS17748 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.40 CCC(C)CC1CCCCC1 TS10510 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.40 COC(=O)CC1CCNCC1 TS16617 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.40 COC(=O)CC1CCNCC1 TS17744 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.40 COC(=O)CC1CNCCN1 TS53129 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.40 COC(=O)CC1CNCCO1 TS42031 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.40 COC(=O)CC1COCCN1 TS42032 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.40 COC(=O)CN1CCOCC1 TS42034 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.86 CC1CCCCC1OC(=O)C TS41647 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.157 C1CN(CC(=O)N1)CC(=O)O TS41867 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.509 C1CCC(CC1)C[Si](Cl)(Cl)Cl TS25122 [0,1,0,0,0,0|2,1,0]=4 147 B11R1.509 C1CCC(CC1)NS(=O)(=O)O TS47767 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.509 C1CCC(CC1)NS(=O)(=O)[O-] TS38083 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.509 C1CCC(CC1)NS(=O)(=O)[O-] TS69136 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.509 CC(C)(CC1CCCCC1)O TS41693 [0,1,0,0,0,0|1,0,1]=3 151 B11R1.509 CP(=O)(O)OC1CCCCC1 TS14157 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.928 C1CCC(CC1)(CC(=O)O)O TS46967 [0,1,0,0,0,0|0,0,0]=1 153 B11R1.928 C1CCC(CC1)(C[N+](=O)[O-])O TS11119 [0,1,0,0,0,0|1,0,1]=3 154 B9R0.2 C(CCCBr)CCC(=O)Cl TS24416 [0,0,1,0,0,0|2,0,0]=3 155 B9R0.2 C(CCCBr)CCC(=O)O TS16501 [0,0,1,0,0,0|1,0,0]=2 156 B9R0.2 C(CCCCl)CCC(=O)O TS11959 [0,0,1,0,0,0|1,0,0]=2 157 B9R0.2 C(CCCN)CCC(=O)O TS48161 [0,0,1,0,0,0|1,0,0]=2 158 B9R0.2 C(CCCN)CCC(=O)O TS59742 [0,0,1,0,0,0|1,0,0]=2 159 B9R0.2 C(CCCO)CCC(=O)O TS55677 [0,0,1,0,0,0|1,0,0]=2 160 B9R0.2 CC(=O)OCCCCCBr TS20687 [0,0,1,0,0,0|3,0,0]=4 161 B9R0.2 CC(=O)OCCCCCCl TS11956 [0,0,1,0,0,0|3,0,0]=4 162 B9R0.2 CCCCC=CCC(=O)O TS37609 [0,0,1,0,0,0|0,0,2]=3 163 B9R0.2 CCCCCC#CC(=O)O TS37382 [0,0,1,0,0,0|0,0,2]=3 164 B9R0.2 CCCCCC=CC(=O)O TS06694 [0,0,1,0,0,0|0,0,2]=3 165 B9R0.2 CCCCCCCC(=C)C TS06520 [0,0,1,0,0,0|2,0,0]=3 166 B9R0.2 CCCCCCCC(=O)C TS06758 [0,0,1,0,0,0|1,0,0]=2 167 B9R0.2 CCCCCCCC(=O)Cl TS11637 [0,0,1,0,0,0|1,0,0]=2 168 B9R0.2 CCCCCCCC(=O)N TS40110 [0,0,1,0,0,0|1,0,0]=2 169 B9R0.2 CCCCCCCC(=O)O TS40219 [0,0,1,0,0,0|0,0,0]=1 170 B9R0.2 CCCCCCCC(=O)[O-] TS43087 [0,0,1,0,0,0|0,0,1]=2 171 B9R0.2 CCCCCCCC(=O)[O-] TS48323 [0,0,1,0,0,0|0,0,1]=2 172 B9R0.2 CCCCCCCC(=O)[O-] TS64558 [0,0,1,0,0,0|0,0,1]=2 173 B9R0.2 CCCCCCCC(C)Br TS39158 [0,0,1,0,0,0|2,0,1]=4 174 B9R0.2 CCCCCCCC(C)C TS37672 [0,0,1,0,0,0|2,0,1]=4 175 B9R0.2 CCCCCCC[C@@H](C)N TS06891 [0,0,1,0,0,0|2,0,1]=4 176 B9R0.2 CCCCCCC[C@H](C)N TS06890 [0,0,1,0,0,0|2,0,1]=4 177 B9R0.2 CCCCCCNC(=S)N TS11310 [0,0,1,0,0,0|2,1,0]=4 178 B9R0.2 CCCCCCOC(=O)C TS40201 [0,0,1,0,0,0|2,0,0]=3 179 B9R0.2 CCCCCCOC(=O)Cl TS11953 [0,0,1,0,0,0|2,0,0]=3 180 B9R0.2 CCCCCCOC(=S)[S-] TS49163 [0,0,1,0,0,0|1,2,0]=4 181 B9R0.2 CCCCNCCC(=O)N TS07002 [0,0,1,0,0,0|2,0,0]=3 182 B9R0.2 CCCCNCCC(=O)O TS40320 [0,0,1,0,0,0|1,0,0]=2 183 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [0,0,1,0,0,0|2,0,1]=4 184 B9R0.4 CCCCC(C)CC(=O)O TS40195 [0,0,1,0,0,0|0,0,0]=1 185 B9R0.4 CCCCC(CC(=O)O)O TS40420 [0,0,1,0,0,0|1,0,0]=2 186 B9R0.4 CCCC[C@@H](C)CC(=O)O TS40197 [0,0,1,0,0,0|0,0,0]=1 187 B9R0.4 CCCC[C@H](C)CC(=O)O TS40208 [0,0,1,0,0,0|0,0,0]=1 188 B9R0.4 CCOCC(C)OC(=O)C TS40411 [0,0,1,0,0,0|3,0,0]=4 189 B9R0.4 CSCC[C@@H](CC(=O)O)N TS37818 [0,0,1,0,0,0|2,0,0]=3 190 B9R0.14 CCCC(CC)CC(=O)O TS40205 [0,0,1,0,0,0|0,0,0]=1 191 B11R2.10 C1CC[C@@H]2[C@@H](C1)NC(=S)N2 TS41677 [0,0,0,1,0,0|2,1,0]=4 192 B11R2.10 C1CC[C@H]2[C@H](C1)NC(=S)N2 TS41674 [0,0,0,1,0,0|2,1,0]=4 193 B11R2.433 C1CN2CCC1CC(=O)C2 TS90438 [0,0,0,1,0,0|2,0,0]=3 194 B11R2.678 C1C2COCC(N2)CC1=O TS87215 [0,0,0,1,0,0|3,0,0]=4 195 B11R2.678 C1C2CSCC(N2)CC1=O TS91826 [0,0,0,1,0,0|3,0,0]=4 196 B11R2.678 C1CC2CC(=O)CC(C1)N2 TS13765 [0,0,0,1,0,0|2,0,0]=3 197 B11R2.1824 C1C2CNCC1C2C(=O)O TS92205 [0,0,0,1,0,0|1,0,0]=2 198 B11R2.1852 C1CCC2C(C1)C2C(=O)O TS06465 [0,0,0,1,0,0|0,0,0]=1 199 B9R1.6 B(C1CCCCC1)(O)O TS85497 [0,0,0,0,1,0|1,0,1]=3 200 B9R1.6 B(C1CCOCC1)(O)O TS59438 [0,0,0,0,1,0|2,0,1]=4 201 B9R1.6 C1C=CCN[C@@H]1C(=O)O TS36225 [0,0,0,0,1,0|1,0,2]=4 202 B9R1.6 C1CC(CC=C1)C(=O)Cl TS07045 [0,0,0,0,1,0|1,0,2]=4 203 B9R1.6 C1CC(CC=C1)C(=O)O TS02731 [0,0,0,0,1,0|0,0,2]=3 204 B9R1.6 C1CC(CNC1)C(=O)N TS05362 [0,0,0,0,1,0|2,0,0]=3 205 B9R1.6 C1CC(CNC1)C(=O)N TS11963 [0,0,0,0,1,0|2,0,0]=3 206 B9R1.6 C1CC(CNC1)C(=O)O TS05456 [0,0,0,0,1,0|1,0,0]=2 207 B9R1.6 C1CC(CNC1)C(=O)O TS94707 [0,0,0,0,1,0|1,0,0]=2 208 B9R1.6 C1CC(COC1)C(=O)O TS02098 [0,0,0,0,1,0|1,0,0]=2 209 B9R1.6 C1CC(CSC1)C(=O)O TS91315 [0,0,0,0,1,0|1,0,0]=2 210 B9R1.6 C1CC(NNC1)C(=O)O TS36476 [0,0,0,0,1,0|2,0,0]=3 211 B9R1.6 C1CC(OC=C1)C(=O)O TS36279 [0,0,0,0,1,0|1,0,2]=4 212 B9R1.6 C1CCC(=CC1)C(=O)O TS05156 [0,0,0,0,1,0|0,0,2]=3 213 B9R1.6 C1CCC(CC1)C(=O)Cl TS07288 [0,0,0,0,1,0|1,0,0]=2 214 B9R1.6 C1CCC(CC1)C(=O)N TS00205 [0,0,0,0,1,0|1,0,0]=2 215 B9R1.6 C1CCC(CC1)C(=O)[O-] TS40838 [0,0,0,0,1,0|0,0,1]=2 216 B9R1.6 C1CCC(CC1)P(Cl)Cl TS15417 [0,0,0,0,1,0|3,0,0]=4 217 B9R1.6 C1CCC(CC1)[N+](=O)[O-] TS56408 [0,0,0,0,1,0|1,0,1]=3 218 B9R1.6 C1CCN(CC1)C(=N)N TS20484 [0,0,0,0,1,0|3,0,0]=4 219 B9R1.6 C1CCN(CC1)C(=N)N TS67678 [0,0,0,0,1,0|3,0,0]=4 220 B9R1.6 C1CCN(CC1)C(=O)Cl TS07390 [0,0,0,0,1,0|2,0,0]=3 221 B9R1.6 C1CCN(CC1)C(=O)O TS05459 [0,0,0,0,1,0|1,0,0]=2 222 B9R1.6 C1CCN(CC1)C(=S)S TS62348 [0,0,0,0,1,0|1,2,0]=4 223 B9R1.6 C1CCNC(C1)C(=O)N TS59354 [0,0,0,0,1,0|2,0,0]=3 224 B9R1.6 C1CCNC(C1)C(=O)O TS02458 [0,0,0,0,1,0|1,0,0]=2 225 B9R1.6 C1CCNC(C1)C(=O)O TS42975 [0,0,0,0,1,0|1,0,0]=2 226 B9R1.6 C1CCNC(C1)C(=O)O TS94706 [0,0,0,0,1,0|1,0,0]=2 227 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS56211 [0,0,0,0,1,0|1,0,0]=2 228 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS94954 [0,0,0,0,1,0|1,0,0]=2 229 B9R1.6 C1CCN[C@H](C1)C(=O)O TS01764 [0,0,0,0,1,0|1,0,0]=2 230 B9R1.6 C1CCN[C@H](C1)C(=O)O TS94583 [0,0,0,0,1,0|1,0,0]=2 231 B9R1.6 C1CCOC(C1)C(=O)O TS05536 [0,0,0,0,1,0|1,0,0]=2 232 B9R1.6 C1CN(CCN1)C(=O)N TS12110 [0,0,0,0,1,0|3,0,0]=4 233 B9R1.6 C1CNC(CN1)C(=O)N TS05465 [0,0,0,0,1,0|3,0,0]=4 234 B9R1.6 C1CNC(CN1)C(=O)O TS02457 [0,0,0,0,1,0|2,0,0]=3 235 B9R1.6 C1CNCCC1C(=O)N TS59356 [0,0,0,0,1,0|2,0,0]=3 236 B9R1.6 C1CNCCC1C(=O)O TS42979 [0,0,0,0,1,0|1,0,0]=2 237 B9R1.6 C1CNCCC1C(=O)O TS71280 [0,0,0,0,1,0|1,0,0]=2 238 B9R1.6 C1CN[C@@H](CN1)C(=O)O TS08013 [0,0,0,0,1,0|2,0,0]=3 239 B9R1.6 C1CN[C@@H](CN1)C(=O)O TS60186 [0,0,0,0,1,0|2,0,0]=3 240 B9R1.6 C1CN[C@H](CN1)C(=O)O TS88452 [0,0,0,0,1,0|2,0,0]=3 241 B9R1.6 C1COC(CN1)C(=O)O TS56326 [0,0,0,0,1,0|2,0,0]=3 242 B9R1.6 C1COC(CO1)C(=O)O TS36638 [0,0,0,0,1,0|2,0,0]=3 243 B9R1.6 C1COCC(N1)C(=O)O TS86226 [0,0,0,0,1,0|2,0,0]=3 244 B9R1.6 C1COCCC1C(=N)N TS91238 [0,0,0,0,1,0|3,0,0]=4 245 B9R1.6 C1COCCC1C(=O)Cl TS59428 [0,0,0,0,1,0|2,0,0]=3 246 B9R1.6 C1COCCC1C(=O)O TS05526 [0,0,0,0,1,0|1,0,0]=2 247 B9R1.6 C1COCCN1C(=O)Cl TS40795 [0,0,0,0,1,0|3,0,0]=4 248 B9R1.6 C1COC[C@@H](N1)C(=O)O TS88818 [0,0,0,0,1,0|2,0,0]=3 249 B9R1.6 C1COC[C@H](N1)C(=O)O TS90682 [0,0,0,0,1,0|2,0,0]=3 250 B9R1.6 C1CO[C@@H](CN1)C(=O)O TS00324 [0,0,0,0,1,0|2,0,0]=3 251 B9R1.6 C1CSC(SC1)C(=O)O TS11925 [0,0,0,0,1,0|2,0,0]=3 252 B9R1.6 C1CSCC(N1)C(=O)O TS07364 [0,0,0,0,1,0|2,0,0]=3 253 B9R1.6 C1CSCC(N1)C(=O)O TS15194 [0,0,0,0,1,0|2,0,0]=3 254 B9R1.6 C1CSCCC1C(=O)O TS89293 [0,0,0,0,1,0|1,0,0]=2 255 B9R1.6 C1CSC[C@H](N1)C(=O)O TS07358 [0,0,0,0,1,0|2,0,0]=3 256 B9R1.6 C1C[C@@H](CC=C1)C(=O)O TS36128 [0,0,0,0,1,0|0,0,2]=3 257 B9R1.6 C1C[C@@H](CNC1)C(=O)N TS85892 [0,0,0,0,1,0|2,0,0]=3 258 B9R1.6 C1C[C@@H](CNC1)C(=O)N TS90971 [0,0,0,0,1,0|2,0,0]=3 259 B9R1.6 C1C[C@@H](CNC1)C(=O)O TS46667 [0,0,0,0,1,0|1,0,0]=2 260 B9R1.6 C1C[C@H](CC=C1)C(=O)O TS90359 [0,0,0,0,1,0|0,0,2]=3 261 B9R1.6 C1C[C@H](CNC1)C(=O)N TS89106 [0,0,0,0,1,0|2,0,0]=3 262 B9R1.6 C1C[C@H](CNC1)C(=O)N TS90970 [0,0,0,0,1,0|2,0,0]=3 263 B9R1.6 C1C[C@H](CNC1)C(=O)O TS00308 [0,0,0,0,1,0|1,0,0]=2 264 B9R1.6 C1C[C@H](CNC1)C(=O)O TS59489 [0,0,0,0,1,0|1,0,0]=2 265 B9R1.6 CC(=O)C1=CCCCC1 TS36007 [0,0,0,0,1,0|1,0,2]=4 266 B9R1.6 CC(=O)C1CCCCC1 TS05176 [0,0,0,0,1,0|1,0,0]=2 267 B9R1.6 CC(=O)C1CCCCN1 TS59502 [0,0,0,0,1,0|2,0,0]=3 268 B9R1.6 CC(=O)N1CCCCC1 TS05281 [0,0,0,0,1,0|2,0,0]=3 269 B9R1.6 CC(=O)N1CCNCC1 TS46837 [0,0,0,0,1,0|3,0,0]=4 270 B9R1.6 CC(=O)N1CCOCC1 TS05453 [0,0,0,0,1,0|3,0,0]=4 271 B9R1.6 CC(C1CCCCC1)O TS36346 [0,0,0,0,1,0|1,0,1]=3 272 B9R1.6 CN(C)C1CCCCC1 TS36253 [0,0,0,0,1,0|3,0,0]=4 273 B9R1.6 C[C@@H](C1CCCCC1)N TS36257 [0,0,0,0,1,0|2,0,1]=4 274 B9R1.6 C[C@H](C1CCCCC1)N TS36259 [0,0,0,0,1,0|2,0,1]=4 275 B9R1.6 C[SiH](C)C1CCCCC1 TS37674 [0,0,0,0,1,0|2,1,0]=4 276 B9R1.13 C1CC(C=C1)CC(=O)N TS36067 [0,0,0,0,1,0|1,0,2]=4 277 B9R1.13 C1CCC(C1)CC(=O)Cl TS07289 [0,0,0,0,1,0|1,0,0]=2 278 B9R1.13 C1CCC(C1)CC(=O)O TS27085 [0,0,0,0,1,0|0,0,0]=1 279 B9R1.13 C1CCC(C1)OC(=O)Cl TS16795 [0,0,0,0,1,0|2,0,0]=3 280 B9R1.13 C1CNCC1CC(=O)O TS86561 [0,0,0,0,1,0|1,0,0]=2 281 B9R1.13 C1CNC[C@@H]1CC(=O)O TS91621 [0,0,0,0,1,0|1,0,0]=2 282 B9R1.13 C1CNC[C@H]1CC(=O)O TS88661 [0,0,0,0,1,0|1,0,0]=2 283 B9R1.13 C1C[C@@H](NC1)CC(=O)O TS91258 [0,0,0,0,1,0|1,0,0]=2 284 B9R1.13 C1C[C@H](NC1)CC(=O)O TS36411 [0,0,0,0,1,0|1,0,0]=2 285 B9R1.13 CC(=O)CC1CCC=C1 TS36006 [0,0,0,0,1,0|1,0,2]=4 286 B9R1.13 CC(=O)CC1CCCC1 TS05185 [0,0,0,0,1,0|1,0,0]=2 287 B9R1.13 CC(=O)NC1CCNC1 TS05364 [0,0,0,0,1,0|3,0,0]=4 288 B9R1.13 CC(=O)N[C@@H]1CCNC1 TS85520 [0,0,0,0,1,0|3,0,0]=4 289 B9R1.13 CC(C)CC1CCCC1 TS05219 [0,0,0,0,1,0|2,0,1]=4 290 B9R1.13 CC(C)CC1CCCC1 TS81235 [0,0,0,0,1,0|2,0,1]=4 291 B9R1.13 CN(C)CC1CCCC1 TS26984 [0,0,0,0,1,0|3,0,0]=4 292 B11R1.91 C1CCC(CC1)C=CC(=O)O TS41400 [0,0,0,0,0,1|0,0,1]=2 293 B11R1.91 C1CCN(CC1)CCC(=O)N TS10729 [0,0,0,0,0,1|2,0,0]=3 294 B11R1.91 C1CCN(CC1)CCC(=O)O TS10871 [0,0,0,0,0,1|1,0,0]=2 295 B11R1.91 C1CCNC(C1)CCC(=O)O TS02885 [0,0,0,0,0,1|1,0,0]=2 296 B11R1.91 C1CCNC(C1)CNC(=S)S TS35241 [0,0,0,0,0,1|1,2,0]=4 297 B11R1.91 C1CNC(CN1)CCC(=O)O TS11001 [0,0,0,0,0,1|2,0,0]=3 298 B11R1.91 C1CNCCC1CCC(=O)O TS00525 [0,0,0,0,0,1|1,0,0]=2 299 B11R1.91 C1CNCCC1OCC(=O)O TS42025 [0,0,0,0,0,1|1,0,0]=2 300 B8R0.4 C(CCCN)CCCO TS36619 [1,0,1,0,0,0|1,0,1]=4 301 B8R0.4 C(CCCO)CCCBr TS55654 [1,0,1,0,0,0|1,0,1]=4 302 B8R0.4 C(CCCO)CCCO TS36690 [1,0,1,0,0,0|1,0,1]=4 303 B8R0.4 C=CCCCCCCBr TS01315 [1,0,1,0,0,0|2,0,0]=4 304 B8R0.4 C=CCCCCCCO TS05382 [1,0,1,0,0,0|2,0,0]=4 305 B8R0.4 CCCCCC=CC=O TS36157 [1,0,1,0,0,0|0,0,2]=4 306 B8R0.4 CCCCCCC=CC TS05227 [1,0,1,0,0,0|1,0,1]=4 307 B8R0.4 CCCCCCC=NO TS36429 [1,0,1,0,0,0|1,0,1]=4 308 B8R0.4 CCCCCCCC#C TS05045 [1,0,1,0,0,0|1,0,1]=4 309 B8R0.4 CCCCCCCC#N TS05112 [1,0,1,0,0,0|1,0,1]=4 310 B8R0.4 CCCCCCCC=C TS05208 [1,0,1,0,0,0|1,0,0]=3 311 B8R0.4 CCCCCCCC=O TS05399 [1,0,1,0,0,0|0,0,0]=2 312 B8R0.4 CCCCCCCCBr TS00038 [1,0,1,0,0,0|1,0,1]=4 313 B8R0.4 CCCCCCCCC TS05427 [1,0,1,0,0,0|1,0,1]=4 314 B8R0.4 CCCCCCCCCl TS07517 [1,0,1,0,0,0|1,0,1]=4 315 B8R0.4 CCCCCCCCF TS05771 [1,0,1,0,0,0|1,0,1]=4 316 B8R0.4 CCCCCCCCN TS05489 [1,0,1,0,0,0|1,0,1]=4 317 B8R0.4 CCCCCCCCN TS12120 [1,0,1,0,0,0|1,0,1]=4 318 B8R0.4 CCCCCCCCN TS20855 [1,0,1,0,0,0|1,0,1]=4 319 B8R0.4 CCCCCCCCO TS36550 [1,0,1,0,0,0|0,0,1]=3 320 B8R0.4 CCCCCCCCS TS40481 [1,0,1,0,0,0|0,1,1]=4 321 B8R0.4 CCCCCCCC[Si] TS07042 [1,0,1,0,0,0|1,0,1]=4 322 B8R0.4 CCCCCCCNC TS05499 [1,0,1,0,0,0|2,0,0]=4 323 B8R0.4 CCCCCCN=C=O TS36237 [1,0,1,0,0,0|1,0,1]=4 324 B8R0.4 CCCCCCOC=O TS36508 [1,0,1,0,0,0|1,0,0]=3 325 B8R0.4 CCCCCNCCO TS36622 [1,0,1,0,0,0|1,0,1]=4 326 B8R0.4 CCCCCOCC=C TS05379 [1,0,1,0,0,0|2,0,0]=4 327 B8R0.4 CCCCCOCCO TS36691 [1,0,1,0,0,0|1,0,1]=4 328 B8R0.4 CNCCCCCCO TS36615 [1,0,1,0,0,0|1,0,1]=4 329 B8R0.7 B(CCCCCC)(O)O TS32717 [1,0,1,0,0,0|1,0,1]=4 330 B8R0.7 C#CCCCCC(=O)O TS05162 [1,0,1,0,0,0|0,0,2]=4 331 B8R0.7 C(CCC(=O)Cl)CCBr TS21556 [1,0,1,0,0,0|2,0,0]=4 332 B8R0.7 C(CCC(=O)Cl)CCCl TS44963 [1,0,1,0,0,0|2,0,0]=4 333 B8R0.7 C(CCC(=O)N)CCBr TS17766 [1,0,1,0,0,0|2,0,0]=4 334 B8R0.7 C(CCC(=O)N)CCN TS93750 [1,0,1,0,0,0|2,0,0]=4 335 B8R0.7 C(CCC(=O)O)CCBr TS55559 [1,0,1,0,0,0|1,0,0]=3 336 B8R0.7 C(CCC(=O)O)CCCl TS09966 [1,0,1,0,0,0|1,0,0]=3 337 B8R0.7 C(CCC(=O)O)CCN TS33197 [1,0,1,0,0,0|1,0,0]=3 338 B8R0.7 C(CCC(=O)O)CCN TS94650 [1,0,1,0,0,0|1,0,0]=3 339 B8R0.7 C(CCC(=O)O)CCO TS55607 [1,0,1,0,0,0|1,0,0]=3 340 B8R0.7 C(CCON)CC(=O)O TS44444 [1,0,1,0,0,0|2,0,0]=4 341 B8R0.7 C=CCCCCC(=O)O TS36303 [1,0,1,0,0,0|0,0,2]=4 342 B8R0.7 CCCC=CCC(=O)O TS36290 [1,0,1,0,0,0|0,0,2]=4 343 B8R0.7 CCCCC#CC(=O)O TS36120 [1,0,1,0,0,0|0,0,2]=4 344 B8R0.7 CCCCC=CC(=O)O TS05335 [1,0,1,0,0,0|0,0,2]=4 345 B8R0.7 CCCCCCC(=O)C TS36325 [1,0,1,0,0,0|1,0,0]=3 346 B8R0.7 CCCCCCC(=O)Cl TS07515 [1,0,1,0,0,0|1,0,0]=3 347 B8R0.7 CCCCCCC(=O)N TS36432 [1,0,1,0,0,0|1,0,0]=3 348 B8R0.7 CCCCCCC(=O)O TS05558 [1,0,1,0,0,0|0,0,0]=2 349 B8R0.7 CCCCCCC(=O)[O-] TS10169 [1,0,1,0,0,0|0,0,1]=3 350 B8R0.7 CCCCCCC(C)O TS05590 [1,0,1,0,0,0|1,0,1]=4 351 B8R0.7 CCCCCC[C@@H](C)O TS05598 [1,0,1,0,0,0|1,0,1]=4 352 B8R0.7 CCCCCC[C@H](C)O TS46634 [1,0,1,0,0,0|1,0,1]=4 353 B8R0.7 CCCCCC[N+](=O)[O-] TS36590 [1,0,1,0,0,0|1,0,1]=4 354 B8R0.7 CCCCCOC(=O)C TS05568 [1,0,1,0,0,0|2,0,0]=4 355 B8R0.7 CCCCCOC(=O)Cl TS59753 [1,0,1,0,0,0|2,0,0]=4 356 B8R0.7 CCCCOCC(=O)O TS05720 [1,0,1,0,0,0|1,0,0]=3 357 B8R0.7 COCCOCC(=O)O TS08222 [1,0,1,0,0,0|2,0,0]=4 358 B8R0.1 CCCCC(C)CCC TS05416 [1,0,1,0,0,0|1,0,1]=4 359 B8R0.1 CCCCC(C)CCO TS05597 [1,0,1,0,0,0|0,0,1]=3 360 B8R0.1 CCCCC(CC=C)O TS36339 [1,0,1,0,0,0|2,0,0]=4 361 B8R0.1 CCCC[C@@H](C)CCO TS36538 [1,0,1,0,0,0|0,0,1]=3 362 B8R0.5 CCCC(=CC(=O)O)C TS36312 [1,0,1,0,0,0|0,0,2]=4 363 B8R0.5 CCCC(C)CC(=C)C TS36185 [1,0,1,0,0,0|2,0,0]=4 364 B8R0.5 CCCC(C)CC(=O)C TS05394 [1,0,1,0,0,0|1,0,0]=3 365 B8R0.5 CCCC(C)CC(=O)O TS05545 [1,0,1,0,0,0|0,0,0]=2 366 B8R0.5 CCCC(C)CC(C)O TS05587 [1,0,1,0,0,0|1,0,1]=4 367 B8R0.5 CCCC(C)OC(=O)C TS05542 [1,0,1,0,0,0|2,0,0]=4 368 B8R0.5 CCC[C@H](C)CC(=O)O TS36494 [1,0,1,0,0,0|0,0,0]=2 369 B8R0.16 CCN(CC)CC(=O)C TS36425 [1,0,1,0,0,0|2,0,0]=4 370 B8R0.22 CCCC(CC)CCC TS05410 [1,0,1,0,0,0|1,0,1]=4 371 B8R0.22 CCCC(CC=O)SC TS40466 [1,0,1,0,0,0|1,0,0]=3 372 B8R0.22 CCCC(CCO)SC TS40691 [1,0,1,0,0,0|1,0,1]=4 373 B8R1.2 C1CC(CC=C1)C=O TS60200 [2,0,0,0,0,0|0,0,2]=4 374 B8R1.2 C1CC(CC=C1)CO TS31925 [2,0,0,0,0,0|0,0,2]=4 375 B8R1.2 C1CC(CC=C1)CO TS93417 [2,0,0,0,0,0|0,0,2]=4 376 B8R1.2 C1CC(CNC1)CO TS88392 [2,0,0,0,0,0|1,0,0]=3 377 B8R1.2 C1CC(COC1)C=O TS16821 [2,0,0,0,0,0|1,0,0]=3 378 B8R1.2 C1CC(COC1)CBr TS86643 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.2 C1CC(COC1)CN TS46681 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.2 C1CC(COC1)CO TS86137 [2,0,0,0,0,0|1,0,0]=3 381 B8R1.2 C1CCC(=CC1)C=O TS31838 [2,0,0,0,0,0|0,0,2]=4 382 B8R1.2 C1CCC(=NO)CC1 TS04394 [2,0,0,0,0,0|1,0,1]=4 383 B8R1.2 C1CCC(CC1)C#N TS31808 [2,0,0,0,0,0|1,0,1]=4 384 B8R1.2 C1CCC(CC1)C#N TS40668 [2,0,0,0,0,0|1,0,1]=4 385 B8R1.2 C1CCC(CC1)C=O TS01404 [2,0,0,0,0,0|0,0,0]=2 386 B8R1.2 C1CCC(CC1)CBr TS46572 [2,0,0,0,0,0|1,0,0]=3 387 B8R1.2 C1CCC(CC1)CCl TS36740 [2,0,0,0,0,0|1,0,0]=3 388 B8R1.2 C1CCC(CC1)CN TS04402 [2,0,0,0,0,0|1,0,0]=3 389 B8R1.2 C1CCC(CC1)CO TS04473 [2,0,0,0,0,0|0,0,0]=2 390 B8R1.2 C1CCC(CC1)CS TS05617 [2,0,0,0,0,0|0,1,0]=3 391 B8R1.2 C1CCC(CC1)NO TS10098 [2,0,0,0,0,0|1,0,0]=3 392 B8R1.2 C1CCC(CC1)[Mg]Br TS50598 [2,0,0,0,0,0|2,0,0]=4 393 B8R1.2 C1CCC(CC1)[Mg]Cl TS06810 [2,0,0,0,0,0|2,0,0]=4 394 B8R1.2 C1CCN(CC1)C=O TS56398 [2,0,0,0,0,0|1,0,0]=3 395 B8R1.2 C1CCN(CC1)CCl TS05849 [2,0,0,0,0,0|2,0,0]=4 396 B8R1.2 C1CCN(CC1)CO TS32161 [2,0,0,0,0,0|1,0,0]=3 397 B8R1.2 C1CCN(CC1)N=O TS01612 [2,0,0,0,0,0|2,0,0]=4 398 B8R1.2 C1CCNC(C1)C=O TS04396 [2,0,0,0,0,0|1,0,0]=3 399 B8R1.2 C1CCNC(C1)CN TS02462 [2,0,0,0,0,0|2,0,0]=4 400 B8R1.2 C1CCNC(C1)CO TS02460 [2,0,0,0,0,0|1,0,0]=3 401 B8R1.2 C1CCOC(C1)CCl TS05953 [2,0,0,0,0,0|2,0,0]=4 402 B8R1.2 C1CCOC(C1)CN TS59436 [2,0,0,0,0,0|2,0,0]=4 403 B8R1.2 C1CCOC(C1)CN TS59437 [2,0,0,0,0,0|2,0,0]=4 404 B8R1.2 C1CCOC(C1)CO TS59577 [2,0,0,0,0,0|1,0,0]=3 405 B8R1.2 C1CN(CCN1)C=O TS00443 [2,0,0,0,0,0|2,0,0]=4 406 B8R1.2 C1CN(CCN1)CO TS04601 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.2 C1CNCCC1C=O TS59355 [2,0,0,0,0,0|1,0,0]=3 408 B8R1.2 C1CNCCC1CF TS86720 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.2 C1CNCCC1CN TS16890 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.2 C1CNCCC1CO TS85529 [2,0,0,0,0,0|1,0,0]=3 411 B8R1.2 C1CN[C@@H](CN1)CO TS50857 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.2 C1COC(CN1)CO TS55399 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.2 C1COCC(N1)CO TS02790 [2,0,0,0,0,0|2,0,0]=4 414 B8R1.2 C1COCC(N1)CO TS41317 [2,0,0,0,0,0|2,0,0]=4 415 B8R1.2 C1COCCC1C=O TS59439 [2,0,0,0,0,0|1,0,0]=3 416 B8R1.2 C1COCCC1CBr TS16902 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.2 C1COCCC1CI TS24100 [2,0,0,0,0,0|2,0,0]=4 418 B8R1.2 C1COCCC1CN TS03003 [2,0,0,0,0,0|2,0,0]=4 419 B8R1.2 C1COCCC1CN TS07685 [2,0,0,0,0,0|2,0,0]=4 420 B8R1.2 C1COCCC1CO TS59440 [2,0,0,0,0,0|1,0,0]=3 421 B8R1.2 C1COCCN1C=O TS34591 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.2 C1COC[C@@H](N1)CO TS41310 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.2 C1COC[C@H](N1)CO TS32280 [2,0,0,0,0,0|2,0,0]=4 424 B8R1.2 C1CO[C@@H](CN1)CO TS32281 [2,0,0,0,0,0|2,0,0]=4 425 B8R1.2 C1CO[C@H](CN1)CO TS46590 [2,0,0,0,0,0|2,0,0]=4 426 B8R1.2 C1CSCCC1CN TS91963 [2,0,0,0,0,0|2,0,0]=4 427 B8R1.2 C1CSCCC1CO TS90016 [2,0,0,0,0,0|1,0,0]=3 428 B8R1.2 C1C[C@@H](CNC1)CO TS46642 [2,0,0,0,0,0|1,0,0]=3 429 B8R1.2 C1C[C@H](CNC1)CO TS46591 [2,0,0,0,0,0|1,0,0]=3 430 B8R1.2 CCC1CCCCC1 TS04342 [2,0,0,0,0,0|0,0,1]=3 431 B8R1.2 CCC1CCCCN1 TS04398 [2,0,0,0,0,0|1,0,1]=4 432 B8R1.2 CCN1CCCCC1 TS00439 [2,0,0,0,0,0|1,0,1]=4 433 B8R1.2 CCN1CCCCC1 TS32031 [2,0,0,0,0,0|1,0,1]=4 434 B8R1.2 CNC1CCCCC1 TS08095 [2,0,0,0,0,0|1,0,1]=4 435 B8R1.2 COC1CCCCC1 TS32092 [2,0,0,0,0,0|1,0,1]=4 436 B8R1.2 CSC1CCCCC1 TS05616 [2,0,0,0,0,0|1,0,1]=4 437 B8R1.2 [C-]#[N+]C1CCCCC1 TS34562 [2,0,0,0,0,0|1,0,1]=4 438 B10R0.3 CCCC(C)CCOC(=O)C TS11027 [0,1,1,0,0,0|2,0,0]=4 439 B10R0.3 CCCC(CCOC(=O)C)S TS46183 [0,1,1,0,0,0|2,0,0]=4 440 B10R0.3 CCOC(=O)CCCC(=O)O TS11210 [0,1,1,0,0,0|1,0,1]=4 441 B10R0.4 B(CCCCCCCC)(O)O TS41838 [0,1,1,0,0,0|1,0,1]=4 442 B10R0.4 C#CCCCCCCC(=O)O TS29475 [0,1,1,0,0,0|0,0,1]=3 443 B10R0.4 C(CCCC(=O)O)CCCBr TS01319 [0,1,1,0,0,0|0,0,0]=2 444 B10R0.4 C(CCCC(=O)O)CCCN TS11174 [0,1,1,0,0,0|0,0,0]=2 445 B10R0.4 C(CCCC(=O)O)CCCO TS11268 [0,1,1,0,0,0|0,0,0]=2 446 B10R0.4 C(CCNCCC(=O)O)CN TS68144 [0,1,1,0,0,0|1,0,0]=3 447 B10R0.4 C(COCCOCC(=O)O)N TS11679 [0,1,1,0,0,0|2,0,0]=4 448 B10R0.4 C(COCCOCC(=O)O)N TS47032 [0,1,1,0,0,0|2,0,0]=4 449 B10R0.4 CC(=O)OCCCCCCBr TS50269 [0,1,1,0,0,0|2,0,0]=4 450 B10R0.4 CCCCCC=CCC(=O)O TS41642 [0,1,1,0,0,0|0,0,1]=3 451 B10R0.4 CCCCCCC#CC(=O)O TS41396 [0,1,1,0,0,0|0,0,1]=3 452 B10R0.4 CCCCCCC=CC(=O)C TS10484 [0,1,1,0,0,0|1,0,1]=4 453 B10R0.4 CCCCCCC=CC(=O)O TS41637 [0,1,1,0,0,0|0,0,1]=3 454 B10R0.4 CCCCCCCCC(=O)C TS10747 [0,1,1,0,0,0|1,0,0]=3 455 B10R0.4 CCCCCCCCC(=O)Cl TS46204 [0,1,1,0,0,0|1,0,0]=3 456 B10R0.4 CCCCCCCCC(=O)N TS10891 [0,1,1,0,0,0|1,0,0]=3 457 B10R0.4 CCCCCCCCC(=O)O TS11031 [0,1,1,0,0,0|0,0,0]=2 458 B10R0.4 CCCCCCCCC(=O)[O-] TS14628 [0,1,1,0,0,0|0,0,1]=3 459 B10R0.4 CCCCCCCCC(C)O TS41974 [0,1,1,0,0,0|1,0,1]=4 460 B10R0.4 CCCCCCCC[C@H](C)O TS41983 [0,1,1,0,0,0|1,0,1]=4 461 B10R0.4 CCCCCCCC[N+](=O)[O-] TS11163 [0,1,1,0,0,0|1,0,1]=4 462 B10R0.4 CCCCCCCNC(=O)N TS41954 [0,1,1,0,0,0|1,0,0]=3 463 B10R0.4 CCCCCCCNC(=S)N TS13566 [0,1,1,0,0,0|1,1,0]=4 464 B10R0.4 CCCCCCCOC(=O)Cl TS47643 [0,1,1,0,0,0|1,0,0]=3 465 B10R0.4 CCCCOCCOC(=O)C TS11278 [0,1,1,0,0,0|2,0,0]=4 466 B10R0.6 C(CCN)C[C@@H](CC(=O)O)N TS25356 [0,1,1,0,0,0|1,0,0]=3 467 B10R0.6 CCCCCC(=O)CC(=O)C TS10719 [0,1,1,0,0,0|1,0,1]=4 468 B10R0.6 CCCCCC(C)CC(=O)O TS11024 [0,1,1,0,0,0|0,0,0]=2 469 B10R0.6 CCCCCC(CC(=O)O)O TS11269 [0,1,1,0,0,0|0,0,0]=2 470 B10R0.22 CCCCCCCC(C)(C)O TS41969 [0,1,1,0,0,0|1,0,1]=4 471 B10R0.22 CCCCCCCN(=O)(C)C TS42089 [0,1,1,0,0,0|2,0,0]=4 472 B10R0.22 CCCCCCCP(=O)(Cl)Cl TS49214 [0,1,1,0,0,0|2,0,0]=4 473 B10R0.22 CCCCCCCS(=O)(=O)[O-] TS19397 [0,1,1,0,0,0|1,0,1]=4 474 B10R0.74 CCCCCC#CC(=O)OC TS10452 [0,1,1,0,0,0|0,0,2]=4 475 B10R0.74 CCCCCC=CC(=O)OC TS10720 [0,1,1,0,0,0|0,0,2]=4 476 B10R0.74 CCCCCCCC(=O)CC TS41682 [0,1,1,0,0,0|1,0,0]=3 477 B10R0.74 CCCCCCCC(=O)NN TS41952 [0,1,1,0,0,0|1,0,0]=3 478 B10R0.74 CCCCCCCC(=O)N[O-] TS14789 [0,1,1,0,0,0|0,0,1]=3 479 B10R0.74 CCCCCCCC(=O)OC TS01755 [0,1,1,0,0,0|0,0,0]=2 480 B10R0.74 CCCCCCCC(CC)O TS11069 [0,1,1,0,0,0|1,0,1]=4 481 B10R0.74 CCCCCCCC(CO)O TS11306 [0,1,1,0,0,0|0,0,2]=4 482 B10R0.74 CCCCCCOC(=O)C=C TS41638 [0,1,1,0,0,0|2,0,0]=4 483 B10R0.74 CCCCCCOC(=O)CC TS41939 [0,1,1,0,0,0|2,0,0]=4 484 B10R0.74 CCCCCCOC(=O)CN TS18152 [0,1,1,0,0,0|2,0,0]=4 485 B10R0.74 CCCCNCCC(=O)OC TS11160 [0,1,1,0,0,0|1,0,0]=3 486 B10R0.74 COC(=O)CCCCCC=O TS41903 [0,1,1,0,0,0|1,0,1]=4 487 B10R0.74 COC(=O)CCCCCCN TS11176 [0,1,1,0,0,0|1,0,0]=3 488 B10R0.74 COC(=O)CCCCCCN TS85142 [0,1,1,0,0,0|1,0,0]=3 489 B10R0.75 C(CO)CSC[C@@H](C(=O)O)N TS47766 [0,1,1,0,0,0|2,0,0]=4 490 B10R0.75 CCCCCCC(=O)C(=O)O TS10976 [0,1,1,0,0,0|0,0,1]=3 491 B10R0.75 CCCCCCC(C(=O)O)Br TS50267 [0,1,1,0,0,0|0,0,0]=2 492 B10R0.75 CCCCCCC(C(=O)O)N TS11153 [0,1,1,0,0,0|0,0,0]=2 493 B10R0.75 CCCCCCC(C(=O)O)O TS11275 [0,1,1,0,0,0|0,0,0]=2 494 B10R0.75 CCCCCCC(C)C(=O)O TS11035 [0,1,1,0,0,0|0,0,0]=2 495 B10R0.75 CCCCCC[C@@H](C(=O)O)N TS11157 [0,1,1,0,0,0|0,0,0]=2 496 B10R0.75 CCCCCC[C@H](C(=O)O)N TS11158 [0,1,1,0,0,0|0,0,0]=2 497 B10R0.75 CCCCSC[C@@H](C(=O)O)N TS14083 [0,1,1,0,0,0|1,0,0]=3 498 B10R0.75 CNCCCC[C@@H](C(=O)O)N TS18381 [0,1,1,0,0,0|1,0,0]=3 499 B10R0.78 CCCCC(C)CCC(=O)O TS41944 [0,1,1,0,0,0|0,0,0]=2 500 B10R0.97 C(CCC(=O)O)CCC(=O)O TS39875 [0,1,1,0,0,0|1,0,1]=4 501 B10R0.18 CCCCC(=O)CC(=O)OC TS41895 [0,1,1,0,0,0|1,0,1]=4 502 B10R0.44 C[C@H](CC(=O)O)CC(=O)OC TS11225 [0,1,1,0,0,0|1,0,1]=4 503 B10R0.87 CCCCC(CC)CC(=O)O TS41941 [0,1,1,0,0,0|0,0,0]=2 504 B10R0.87 CCCCC(CC)CC(C)O TS41967 [0,1,1,0,0,0|1,0,1]=4 505 B10R0.96 CC(CCC(=O)O)CC(=O)O TS11217 [0,1,1,0,0,0|1,0,1]=4 506 B10R0.54 CCC(C)C(CC)OC(=O)C TS11029 [0,1,1,0,0,0|2,0,0]=4 507 B10R0.70 CC(C)C[C@@H](CC(=O)O)CN TS94511 [0,1,1,0,0,0|1,0,0]=3 508 B10R0.79 C(CO)N(CCO)CC(=O)O TS11680 [0,1,1,0,0,0|2,0,0]=4 509 B10R0.79 CCCN(CCC)CC(=O)O TS11164 [0,1,1,0,0,0|1,0,0]=3 510 B10R0.79 CCOC(CC(=O)O)OCC TS11530 [0,1,1,0,0,0|1,0,0]=3 511 B10R1.1 CC1CCC(CC1)N=C=O TS93685 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.1 CCCC1CCC(CC1)O TS37640 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.1 CN1CCC(CC1)CC=O TS46496 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.1 CN1CCC(CC1)CCO TS89710 [1,1,0,0,0,0|1,0,1]=4 515 B10R1.4 C=CCC1CCCCC1=O TS37220 [1,1,0,0,0,0|1,0,1]=4 516 B10R1.4 CCCC1CCCCC1C TS06518 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.4 CCCC1CCCCC1O TS06765 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.4 CCC[C@@H]1CCCC[C@H]1C TS06535 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.4 CCC[C@H]1CCCC[C@H]1C TS06531 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.10 CN1CCCC(C1)CCO TS88659 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.15 C1CCC(CC1)[C@H](CO)N TS40098 [1,1,0,0,0,0|0,0,1]=3 522 B10R1.15 C=CC(C1CCCCC1)O TS37414 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.15 CC(CO)C1CCCCC1 TS06740 [1,1,0,0,0,0|0,0,1]=3 524 B10R1.15 CCC(C)C1CCCCC1 TS06524 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.17 C#CCCC1CCCCC1 TS37060 [1,1,0,0,0,0|1,0,1]=4 526 B10R1.17 C1CCC(CC1)CCCN TS37521 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.17 C1CCC(CC1)CN=C=S TS41539 [1,1,0,0,0,0|0,1,1]=4 528 B10R1.17 C1CCC(CC1)NCCO TS40111 [1,1,0,0,0,0|0,0,1]=3 529 B10R1.17 C1CCC(CC1)SCCCl TS14314 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.17 C1CCN(CC1)CCCO TS40100 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.17 C1CNCCC1CCCO TS39294 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.17 C=CCNC1CCCCC1 TS37309 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.17 C=CCOC1CCCCO1 TS06703 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.17 COCCC1CCNCC1 TS90023 [1,1,0,0,0,0|1,0,1]=4 535 B10R1.377 C=CCC1(CCCCC1)O TS37413 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.13 C1CC(=O)CCC1C(=O)O TS37561 [0,1,0,0,1,0|0,0,1]=3 537 B10R1.13 C1CC(=O)NCC1C(=O)O TS90741 [0,1,0,0,1,0|1,0,1]=4 538 B10R1.13 C1CC(CCC1C(=O)O)N TS02990 [0,1,0,0,1,0|0,0,0]=2 539 B10R1.13 C1CC(CCC1C(=O)O)O TS06943 [0,1,0,0,1,0|0,0,0]=2 540 B10R1.13 C1C[C@H](NC[C@@H]1O)C(=O)O TS14843 [0,1,0,0,1,0|1,0,0]=3 541 B10R1.13 C1C[C@H](NC[C@H]1O)C(=O)O TS87571 [0,1,0,0,1,0|1,0,0]=3 542 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O TS39836 [0,1,0,0,1,0|0,0,0]=2 543 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O TS88414 [0,1,0,0,1,0|0,0,0]=2 544 B10R1.13 C1[C@@H](CC[C@H](C1)O)C(=O)O TS40167 [0,1,0,0,1,0|0,0,0]=2 545 B10R1.13 CC(=O)N1CCC(CC1)N TS46835 [0,1,0,0,1,0|2,0,0]=4 546 B10R1.13 CC(=O)N1CCC(CC1)O TS86002 [0,1,0,0,1,0|2,0,0]=4 547 B10R1.13 CN1CCC(CC1)C(=O)N TS06725 [0,1,0,0,1,0|2,0,0]=4 548 B10R1.13 CN1CCC(CC1)C(=O)O TS00054 [0,1,0,0,1,0|1,0,0]=3 549 B10R1.13 CN1CCC(CC1)C(=O)O TS47001 [0,1,0,0,1,0|1,0,0]=3 550 B10R1.13 CN1CCC(CC1)C(=O)O TS88476 [0,1,0,0,1,0|1,0,0]=3 551 B10R1.28 C1CCC(CC1)P(=O)(Cl)Cl TS19144 [0,1,0,0,1,0|2,0,0]=4 552 B10R1.61 C1C=CC[C@@H]([C@@H]1C(=O)O)N TS06593 [0,1,0,0,1,0|0,0,2]=4 553 B10R1.61 C1C=CC[C@H]([C@@H]1C(=O)O)N TS06590 [0,1,0,0,1,0|0,0,2]=4 554 B10R1.61 C1CCC(=O)C(C1)C(=O)N TS06586 [0,1,0,0,1,0|1,0,1]=4 555 B10R1.61 C1CCC(C(C1)C(=O)O)N TS06859 [0,1,0,0,1,0|0,0,0]=2 556 B10R1.61 C1CCC(C(C1)C(=O)O)O TS16698 [0,1,0,0,1,0|0,0,0]=2 557 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)N)O TS40080 [0,1,0,0,1,0|1,0,0]=3 558 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)N)O TS06865 [0,1,0,0,1,0|1,0,0]=3 559 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N TS40083 [0,1,0,0,1,0|0,0,0]=2 560 B10R1.61 C1CC[C@H]([C@H](C1)C(=O)O)N TS14483 [0,1,0,0,1,0|0,0,0]=2 561 B10R1.61 C1CNCC(C1=O)C(=O)O TS02247 [0,1,0,0,1,0|1,0,1]=4 562 B10R1.61 C1C[C@@H]([C@@H](C=C1)N)C(=O)O TS46356 [0,1,0,0,1,0|0,0,2]=4 563 B10R1.61 C1C[C@H]([C@H](C=C1)N)C(=O)O TS46355 [0,1,0,0,1,0|0,0,2]=4 564 B10R1.61 CN1CCCCC1C(=O)O TS08695 [0,1,0,0,1,0|1,0,0]=3 565 B10R1.113 C1CC(CC(C1)N)C(=O)O TS65881 [0,1,0,0,1,0|0,0,0]=2 566 B10R1.113 C1CC(NC(=O)C1)C(=O)O TS55634 [0,1,0,0,1,0|1,0,1]=4 567 B10R1.113 C1CNC(=O)CC1C(=O)O TS85991 [0,1,0,0,1,0|1,0,1]=4 568 B10R1.113 C1CN[C@@H](CC1=O)C(=O)O TS06832 [0,1,0,0,1,0|1,0,1]=4 569 B10R1.113 C1C[C@@H](NC(=O)C1)C(=O)O TS40066 [0,1,0,0,1,0|1,0,1]=4 570 B10R1.113 C1C[C@H](NC(=O)C1)C(=O)O TS06827 [0,1,0,0,1,0|1,0,1]=4 571 B10R1.113 CC1CCCC(N1)C(=O)O TS39361 [0,1,0,0,1,0|1,0,0]=3 572 B10R1.113 CC1CCCN(C1)C(=O)C TS06612 [0,1,0,0,1,0|2,0,0]=4 573 B10R1.113 CC1OCC[C@H](O1)C(=O)O TS40371 [0,1,0,0,1,0|2,0,0]=4 574 B10R1.113 CN1CCCC(C1)C(=O)N TS06731 [0,1,0,0,1,0|2,0,0]=4 575 B10R1.113 CN1CCCC(C1)C(=O)O TS14485 [0,1,0,0,1,0|1,0,0]=3 576 B10R1.113 CN1CCCC(C1)C(=O)O TS59572 [0,1,0,0,1,0|1,0,0]=3 577 B10R1.113 CN1CCNC(C1)C(=O)O TS03179 [0,1,0,0,1,0|2,0,0]=4 578 B10R1.113 CN1CCNC(C1)C(=O)O TS49218 [0,1,0,0,1,0|2,0,0]=4 579 B10R1.113 CN1CCOC(C1)C(=O)O TS14844 [0,1,0,0,1,0|2,0,0]=4 580 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O TS94421 [0,1,0,0,1,0|1,0,0]=3 581 B10R1.363 C1CC(COC1)(C(=O)O)N TS40293 [0,1,0,0,1,0|1,0,0]=3 582 B10R1.363 C1CCC(CC1)(C(=O)O)N TS01999 [0,1,0,0,1,0|0,0,0]=2 583 B10R1.363 C1CCC(CC1)(C(=O)O)N TS14491 [0,1,0,0,1,0|0,0,0]=2 584 B10R1.363 C1CCC(CC1)(C(=O)O)O TS06951 [0,1,0,0,1,0|0,0,0]=2 585 B10R1.363 C1CNCCC1(C(=O)O)N TS40176 [0,1,0,0,1,0|1,0,0]=3 586 B10R1.363 C1COCCC1(C(=O)O)F TS40608 [0,1,0,0,1,0|1,0,0]=3 587 B10R1.363 C1COCCC1(C(=O)O)N TS40296 [0,1,0,0,1,0|1,0,0]=3 588 B10R1.363 CC(=O)C1(CCCCC1)O TS37611 [0,1,0,0,1,0|1,0,0]=3 589 B10R1.363 CC1(CCCCC1)C(=O)O TS06707 [0,1,0,0,1,0|0,0,0]=2 590 B10R1.363 CC1(CCCCN1)C(=O)O TS40090 [0,1,0,0,1,0|1,0,0]=3 591 B10R1.363 CC1(CCCNC1)C(=O)O TS86756 [0,1,0,0,1,0|1,0,0]=3 592 B10R1.363 CC1(CCOCC1)C(=O)O TS06955 [0,1,0,0,1,0|1,0,0]=3 593 B10R1.363 CC1(CCSCC1)C(=O)O TS90563 [0,1,0,0,1,0|1,0,0]=3 594 B10R1.23 C1CCC(C1)C(C(=O)O)N TS06856 [0,1,0,0,1,0|0,0,0]=2 595 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N TS01519 [0,1,0,0,1,0|0,0,0]=2 596 B10R1.23 C1CCC(C1)[C@H](C(=O)O)N TS06852 [0,1,0,0,1,0|0,0,0]=2 597 B10R1.27 C1CCC(C1)NC(=O)CN TS37620 [0,1,0,0,1,0|2,0,0]=4 598 B10R1.27 C=CC(=O)OC1CCCC1 TS06476 [0,1,0,0,1,0|2,0,0]=4 599 B10R1.27 COC(=O)CC1CCNC1 TS40088 [0,1,0,0,1,0|1,0,0]=3 600 B10R1.54 C1CN(CC1=O)CC(=O)O TS40068 [0,1,0,0,1,0|1,0,1]=4 601 B10R1.54 C1CN(CC1N)CC(=O)O TS40179 [0,1,0,0,1,0|1,0,0]=3 602 B10R1.54 C1CN(CC1O)CC(=O)O TS08024 [0,1,0,0,1,0|1,0,0]=3 603 B10R1.64 C1CC(=O)N(C1)CC(=O)O TS16711 [0,1,0,0,1,0|1,0,1]=4 604 B10R1.64 CC(=O)O[C@@H]1CCC[C@H]1O TS06956 [0,1,0,0,1,0|2,0,0]=4 605 B12R1.21 CN1CCN(CC1)CCC(=O)O TS45477 [0,1,0,0,0,1|2,0,0]=4 606 B12R1.27 COC(=O)C=CC1CCCCC1 TS44897 [0,1,0,0,0,1|0,0,1]=3 607 B12R1.27 COC(=O)CCC1CCCCC1 TS45157 [0,1,0,0,0,1|0,0,0]=2 608 B12R1.27 COC(=O)CCC1CNCCN1 TS02884 [0,1,0,0,0,1|2,0,0]=4 609 B12R1.27 COC(=O)CCC1COCCN1 TS13342 [0,1,0,0,0,1|2,0,0]=4 610 B12R1.27 COC(=O)CCN1CCCCC1 TS45339 [0,1,0,0,0,1|1,0,0]=3 611 B12R1.27 COC(=O)CCN1CCOCC1 TS13332 [0,1,0,0,0,1|2,0,0]=4 612 B12R1.27 COC(=O)COC1CCNCC1 TS13341 [0,1,0,0,0,1|1,0,0]=3 613 B12R1.27 COC(=O)COC1CCNCC1 TS20812 [0,1,0,0,0,1|1,0,0]=3 614 B12R1.43 C1CCC(CC1)C[C@@H](C(=O)N)N TS12867 [0,1,0,0,0,1|1,0,0]=3 615 B12R1.43 C1CCC(CC1)C[C@@H](C(=O)O)N TS16214 [0,1,0,0,0,1|0,0,0]=2 616 B12R1.43 C1CCC(CC1)C[C@@H](C(=O)O)N TS60185 [0,1,0,0,0,1|0,0,0]=2 617 B12R1.43 C1CCC(CC1)C[C@H](C(=O)O)N TS43366 [0,1,0,0,0,1|0,0,0]=2 618 B12R1.43 C1CNCCC1C[C@@H](C(=O)O)N TS45480 [0,1,0,0,0,1|1,0,0]=3 619 B12R1.43 C=C(CN1CCCCC1)C(=O)O TS45026 [0,1,0,0,0,1|1,0,0]=3 620 B12R1.43 C=C(CN1CCOCC1)C(=O)O TS45299 [0,1,0,0,0,1|2,0,0]=4 621 B12R1.107 C1CCC(CC1)C(CC(=O)O)N TS13031 [0,1,0,0,0,1|0,0,0]=2 622 B12R1.49 CN1CCC(CC1)CC(=O)OC TS89349 [0,2,0,0,0,0|1,0,0]=3 623 B12R1.49 CN1CCN(CC1)CC(=O)OC TS45478 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.1819 C1CS(=O)(=O)CCC1CC(=O)O TS86004 [0,2,0,0,0,0|1,0,0]=3 625 B12R1.1819 CC1(COC(CN1)CC(=O)O)C TS13328 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.1819 CC1(CO[C@H](CN1)CC(=O)O)C TS13324 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.34 COC(=O)C(C1CCOCC1)N TS13344 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.34 COC(=O)[C@@H](C1CCOCC1)N TS13339 [0,2,0,0,0,0|1,0,0]=3 629 B12R1.34 COC(=O)[C@H](C1CCOCC1)N TS00319 [0,2,0,0,0,0|1,0,0]=3 630 B12R1.253 CC(C)(C1CCNCC1)C(=O)N TS91393 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.478 C1CCC(=C(C#N)C(=O)O)CC1 TS42905 [0,2,0,0,0,0|0,0,2]=4 632 B12R1.32 C1CCC(CC1)OC(=O)CC#N TS43245 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.32 C1CCC(CC1)OC(=O)CCS TS16055 [0,2,0,0,0,0|1,1,0]=4 634 B12R1.32 CCCC(=O)OC1CCCCC1 TS45163 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.32 CCOC(=O)CC1CCCCC1 TS94714 [0,2,0,0,0,0|0,0,0]=2 636 B12R1.32 CCOC(=O)CC1CCCNC1 TS00524 [0,2,0,0,0,0|1,0,0]=3 637 B12R1.32 CCOC(=O)CC1CCCNC1 TS43373 [0,2,0,0,0,0|1,0,0]=3 638 B12R1.32 CCOC(=O)CC1CCNCC1 TS00526 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.32 CCOC(=O)CC1CCOCC1 TS01911 [0,2,0,0,0,0|1,0,0]=3 640 B12R1.32 CCOC(=O)CC1CCOCC1 TS87664 [0,2,0,0,0,0|1,0,0]=3 641 B12R1.32 CCOC(=O)CC1CNCCO1 TS13343 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.32 CCOC(=O)CC1COCCN1 TS13334 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.32 CCOC(=O)CN1CCCCC1 TS45334 [0,2,0,0,0,0|1,0,0]=3 644 B12R1.32 CCOC(=O)CN1CCNCC1 TS45493 [0,2,0,0,0,0|2,0,0]=4 645 B12R1.32 CCOC(=O)CN1CCOCC1 TS20813 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.3524 COC(=O)CC1(CCCCC1)N TS22911 [0,2,0,0,0,0|0,0,0]=2 647 B12R1.3524 COC(=O)CC1(CCCCC1)N TS43374 [0,2,0,0,0,0|0,0,0]=2 648 B12R1.3524 COC(=O)CC1(CCOCC1)N TS13340 [0,2,0,0,0,0|1,0,0]=3 649 B12R1.3524 COC(=O)CC1(CCOCC1)N TS20811 [0,2,0,0,0,0|1,0,0]=3 650 B12R1.3862 C1CCC(CC1)(CC(=O)O)C#N TS43253 [0,2,0,0,0,0|0,0,0]=2 651 B12R1.3862 CC(=O)OC1(CCCCC1)C#C TS12267 [0,2,0,0,0,0|2,0,0]=4 652 B10R1.16 CCCCC1CCC(=O)O1 TS37606 [0,0,1,1,0,0|0,0,0]=2 653 B10R1.16 CCCC[C@@H]1COC(=O)N1 TS06863 [0,0,1,1,0,0|2,0,0]=4 654 B10R1.16 CCCC[C@H]1COC(=O)N1 TS06854 [0,0,1,1,0,0|2,0,0]=4 655 B10R1.39 CCN1CCC[C@H]1C(=O)N TS06726 [0,0,1,1,0,0|2,0,0]=4 656 B10R1.66 C1CCC(C1)CCC(=O)Cl TS11340 [0,0,1,1,0,0|1,0,0]=3 657 B10R1.66 C1CCC(C1)CCC(=O)O TS37610 [0,0,1,1,0,0|0,0,0]=2 658 B10R1.66 C1CCC(C1)NCC(=O)O TS64976 [0,0,1,1,0,0|1,0,0]=3 659 B10R1.66 C1CCN(C1)CCC(=O)N TS06729 [0,0,1,1,0,0|2,0,0]=4 660 B10R1.66 C1CCN(C1)CCC(=O)O TS06860 [0,0,1,1,0,0|1,0,0]=3 661 B10R1.66 C1COC(O1)CCC(=O)O TS07160 [0,0,1,1,0,0|2,0,0]=4 662 B10R1.295 CC1(CCCCCCC1)O TS06744 [0,0,1,1,0,0|1,0,1]=4 663 B10R1.348 C1CC(CCNC1)C(=O)O TS86816 [0,0,1,1,0,0|1,0,0]=3 664 B10R1.348 C1CCCC(CC1)C(=O)O TS01402 [0,0,1,1,0,0|0,0,0]=2 665 B10R2.7 C1CCC2CCCC2C1 TS05049 [1,0,0,1,0,0|1,0,1]=4 666 B10R2.7 C1CC[C@H]2CCC[C@@H]2C1 TS05051 [1,0,0,1,0,0|1,0,1]=4 667 B10R2.7 C1CC[C@H]2CCC[C@H]2C1 TS05060 [1,0,0,1,0,0|1,0,1]=4 668 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 TS01390 [1,0,0,1,0,0|2,0,0]=4 669 B10R2.61 C1CC2CC(C(C1)N2)O TS92636 [1,0,0,1,0,0|1,0,1]=4 670 B10R2.61 C1C[C@@H]2C[C@@H]([C@H](C1)N2)O TS92840 [1,0,0,1,0,0|1,0,1]=4 671 B10R2.61 C1C[C@@H]2C[C@H]([C@H](C1)N2)O TS92847 [1,0,0,1,0,0|1,0,1]=4 672 B10R2.62 C1CC2C(CC1CN2)O TS92352 [1,0,0,1,0,0|1,0,1]=4 673 B10R2.62 C1CC2CCC1C(=O)N2 TS36068 [1,0,0,1,0,0|1,0,0]=3 674 B10R2.62 C1CN2CCC1C(=O)C2 TS36069 [1,0,0,1,0,0|1,0,0]=3 675 B10R2.62 C1CN2CCC1C(=O)C2 TS70713 [1,0,0,1,0,0|1,0,0]=3 676 B10R2.62 C1CN2CCC1C(C2)O TS39308 [1,0,0,1,0,0|1,0,1]=4 677 B10R2.62 C1CN2CCC1[C@H](C2)O TS93601 [1,0,0,1,0,0|1,0,1]=4 678 B10R2.62 C1[C@H]2[C@@H](CN(C1)CC2)O TS00216 [1,0,0,1,0,0|1,0,1]=4 679 B10R2.62 C1[C@H]2[C@H](CN(C1)CC2)O TS46608 [1,0,0,1,0,0|1,0,1]=4 680 B10R2.160 C1C2CNCC1C2CO TS91021 [1,0,0,1,0,0|1,0,1]=4 681 B10R2.409 C1CC2CCC1CNC2 TS05117 [1,0,0,1,0,0|2,0,0]=4 682 B10R2.484 C1CC2(CCO2)CNC1 TS90106 [1,0,0,1,0,0|1,0,1]=4 683 B10R2.484 C1CCC2(CC1)CCN2 TS88893 [1,0,0,1,0,0|1,0,1]=4 684 B10R2.484 C1CCC2(CC1)CNC2 TS87460 [1,0,0,1,0,0|2,0,0]=4 685 B10R2.484 C1CNCCC12CCO2 TS89729 [1,0,0,1,0,0|1,0,1]=4 686 B10R2.484 C1CNCCC12CCO2 TS92738 [1,0,0,1,0,0|1,0,1]=4 687 B10R2.344 C1C2C1(CNC2)C(=O)O TS89417 [0,0,0,1,1,0|1,0,0]=3 688 B10R2.351 C1C2C(C2C(=O)N)CN1 TS86850 [0,0,0,1,1,0|2,0,0]=4 689 B10R2.355 C1C2C1C(NC2)C(=O)O TS65883 [0,0,0,1,1,0|1,0,0]=3 690 B10R2.355 C1[C@H]2[C@@H]1[C@H](NC2)C(=O)O TS89200 [0,0,0,1,1,0|1,0,0]=3 691 B10R2.357 C1C2C1CC(C2)C(=O)O TS89364 [0,0,0,1,1,0|0,0,0]=2 692 B10R2.357 C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)N TS94036 [0,0,0,1,1,0|2,0,0]=4 693 B10R2.357 C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)O TS85651 [0,0,0,1,1,0|1,0,0]=3 694 B10R2.2 C1C=C[C@@H]2[C@H]1OC(=O)C2 TS32603 [0,0,0,1,1,0|0,0,2]=4 695 B10R2.2 C1C=C[C@H]2[C@@H]1OC(=O)C2 TS32607 [0,0,0,1,1,0|0,0,2]=4 696 B10R2.2 C1C=C[C@H]2[C@@H]1OC(=O)C2 TS93606 [0,0,0,1,1,0|0,0,2]=4 697 B10R2.71 C1CC2CC(=O)CC1O2 TS92514 [0,0,0,1,1,0|2,0,0]=4 698 B10R2.71 C1C[C@H]2CC(=O)C[C@@H]1N2 TS01613 [0,0,0,1,1,0|2,0,0]=4 699 B10R2.71 C1C[C@H]2CC(=O)C[C@@H]1N2 TS01614 [0,0,0,1,1,0|2,0,0]=4 700 B10R2.316 C1CCC2(C1)CC(=O)N2 TS92791 [0,0,0,1,1,0|1,0,0]=3 701 B12R2.22 C1CCC(CC1)N2CC(C2)O TS10606 [0,0,0,1,0,1|1,0,1]=4 702 B12R2.24 C1CCC2CC(CCC2C1)O TS10474 [0,0,0,1,0,1|1,0,1]=4 703 B12R2.250 C1COCCC12CC2C(=O)O TS89040 [0,0,0,1,0,1|1,0,0]=3 704 B12R2.1392 C1CC2CCC1[C@@H](N2)C(=O)O TS92083 [0,0,0,1,0,1|0,0,0]=2 705 B12R2.1392 C1CC2CCC1[C@H](N2)C(=O)O TS92882 [0,0,0,1,0,1|0,0,0]=2 706 B12R2.2918 C1CC2(CC(=O)NC2)CNC1 TS85758 [0,0,0,1,0,1|2,0,0]=4 707 B12R2.2918 C1CCC2(CC1)CC(=O)NC2 TS41291 [0,0,0,1,0,1|1,0,0]=3 708 B12R2.2918 C1CCC2(CC1)OCC(=O)O2 TS10683 [0,0,0,1,0,1|0,0,0]=2 709 B12R2.2918 C1CNCCC12CC(=O)CO2 TS00504 [0,0,0,1,0,1|2,0,0]=4 710 B12R2.2918 C1CNCCC12CC(=O)NC2 TS90040 [0,0,0,1,0,1|2,0,0]=4 711 B12R2.2918 C1COCCC12CC(=O)NC2 TS91303 [0,0,0,1,0,1|2,0,0]=4 712 B12R2.2918 CC1COC2(O1)CCCCC2 TS41632 [0,0,0,1,0,1|1,0,1]=4 713 B12R2.3190 CC(=O)N1C[C@@H]2[C@H]1CNCC2 TS92631 [0,0,0,1,0,1|2,0,0]=4 714 B12R2.1365 C1CC2CNCC1C2C(=O)O TS89824 [0,0,0,1,0,1|0,0,0]=2 715 B12R2.3810 COC(=O)C1C2CC1CNC2 TS86498 [0,1,0,1,0,0|1,0,0]=3 716 B12R2.1154 CN1C2CCCC1CC(=O)C2 TS41289 [0,1,0,1,0,0|2,0,0]=4 717 B12R2.1154 CN1[C@@H]2CCC[C@H]1CC(=O)C2 TS50991 [0,1,0,1,0,0|2,0,0]=4 718 B12R2.1661 C1CC2CC1CC2CC(=O)O TS10449 [0,1,0,1,0,0|0,0,0]=2 719 B12R2.2899 C=C1CC2CC(C1)CC(=O)C2 TS09923 [0,1,0,1,0,0|1,0,1]=4 720 B12R3.51 C1[C@H]2[C@H](O2)C3C1CC(=O)C3 TS06267 [0,0,0,2,0,0|2,0,0]=4 721 B8R0.8 C(CC(C(=O)O)N)CN TS12622 [0,0,1,0,1,0|2,0,0]=4 722 B8R0.8 C(CC(C(=O)O)N)CN TS21454 [0,0,1,0,1,0|2,0,0]=4 723 B8R0.8 C(CC(C(=O)O)N)CN TS38757 [0,0,1,0,1,0|2,0,0]=4 724 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS07674 [0,0,1,0,1,0|2,0,0]=4 725 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS36671 [0,0,1,0,1,0|2,0,0]=4 726 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS51453 [0,0,1,0,1,0|2,0,0]=4 727 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS74512 [0,0,1,0,1,0|2,0,0]=4 728 B8R0.8 C(C[C@H](C(=O)O)N)CN TS12623 [0,0,1,0,1,0|2,0,0]=4 729 B8R0.8 CCCC=C(C)C(=O)O TS36301 [0,0,1,0,1,0|0,0,2]=4 730 B8R0.8 CCCCC(C(=O)Br)Br TS68068 [0,0,1,0,1,0|2,0,0]=4 731 B8R0.8 CCCCC(C(=O)Cl)Br TS21557 [0,0,1,0,1,0|2,0,0]=4 732 B8R0.8 CCCCC(C(=O)N)N TS43162 [0,0,1,0,1,0|2,0,0]=4 733 B8R0.8 CCCCC(C(=O)O)Br TS51947 [0,0,1,0,1,0|1,0,0]=3 734 B8R0.8 CCCCC(C(=O)O)N TS05663 [0,0,1,0,1,0|1,0,0]=3 735 B8R0.8 CCCCC(C(=O)O)O TS05717 [0,0,1,0,1,0|1,0,0]=3 736 B8R0.8 CCCCC(C)C(=O)C TS05385 [0,0,1,0,1,0|1,0,0]=3 737 B8R0.8 CCCCC(C)C(=O)Cl TS07516 [0,0,1,0,1,0|1,0,0]=3 738 B8R0.8 CCCCC(C)C(=O)O TS05567 [0,0,1,0,1,0|0,0,0]=2 739 B8R0.8 CCCCC(C)C(C)O TS05586 [0,0,1,0,1,0|1,0,1]=4 740 B8R0.8 CCCC[C@@H](C(=O)N)N TS43160 [0,0,1,0,1,0|2,0,0]=4 741 B8R0.8 CCCC[C@@H](C(=O)O)N TS36593 [0,0,1,0,1,0|1,0,0]=3 742 B8R0.8 CCCC[C@H](C(=O)O)N TS05658 [0,0,1,0,1,0|1,0,0]=3 743 B8R0.8 CCSC[C@@H](C(=O)O)N TS07588 [0,0,1,0,1,0|2,0,0]=4 744 B8R0.8 CSCCC(C(=O)O)N TS37819 [0,0,1,0,1,0|2,0,0]=4 745 B8R0.8 CSCCC(C(=O)O)N TS61974 [0,0,1,0,1,0|2,0,0]=4 746 B8R0.8 CSCCC(C(=O)O)O TS65052 [0,0,1,0,1,0|2,0,0]=4 747 B8R0.8 CSCC[C@@H](C(=O)O)N TS07583 [0,0,1,0,1,0|2,0,0]=4 748 B8R0.8 CSCC[C@@H](C(=O)O)N TS09902 [0,0,1,0,1,0|2,0,0]=4 749 B8R0.8 CSCC[C@@H](C(=O)O)N TS35372 [0,0,1,0,1,0|2,0,0]=4 750 B8R0.8 CSCC[C@@H](C(=O)O)N TS93972 [0,0,1,0,1,0|2,0,0]=4 751 B8R0.8 C[Se]CCC(C(=O)O)N TS53596 [0,0,1,0,1,0|2,0,0]=4 752 B8R0.8 C[Se]CCC(C(=O)O)N TS93321 [0,0,1,0,1,0|2,0,0]=4 753 B8R0.8 C[Se]CC[C@@H](C(=O)O)N TS64910 [0,0,1,0,1,0|2,0,0]=4 754 B8R0.15 CCC[C@@H](C(=O)O)NC TS36587 [0,0,1,0,1,0|1,0,0]=3 755 B8R0.15 CCC[C@@H](CO)C(=O)O TS36660 [0,0,1,0,1,0|1,0,0]=3 756 B8R1.8 C#CCC1CCCC1 TS04146 [1,0,0,0,1,0|1,0,1]=4 757 B8R1.8 C1CC(NC1)CCO TS91871 [1,0,0,0,1,0|1,0,1]=4 758 B8R1.8 C1CCC(C1)CCN TS00978 [1,0,0,0,1,0|1,0,1]=4 759 B8R1.8 C1CCC(C1)CCO TS04478 [1,0,0,0,1,0|0,0,1]=3 760 B8R1.8 C1CCC(C1)N=C=O TS59760 [1,0,0,0,1,0|1,0,1]=4 761 B8R1.8 C1CCN(C1)CCO TS32173 [1,0,0,0,1,0|1,0,1]=4 762 B8R1.8 C1CNCC1CCO TS88089 [1,0,0,0,1,0|1,0,1]=4 763 B8R1.8 CCCC1CCCC1 TS31955 [1,0,0,0,1,0|1,0,1]=4 764 B8R1.8 CCCC1CCCC1 TS57165 [1,0,0,0,1,0|1,0,1]=4 765 B8R1.8 CCCC1CCCC1 TS67057 [1,0,0,0,1,0|1,0,1]=4 766 B8R1.8 CCCC1CCCC1 TS69588 [1,0,0,0,1,0|1,0,1]=4 767 B8R1.8 CCCC1CCCC1 TS69915 [1,0,0,0,1,0|1,0,1]=4 768 B8R1.8 CCCC1CCCC1 TS72093 [1,0,0,0,1,0|1,0,1]=4 769 B8R1.8 CCCC1CCCC1 TS72534 [1,0,0,0,1,0|1,0,1]=4 770 B8R1.8 CCCC1CCCC1 TS81524 [1,0,0,0,1,0|1,0,1]=4 771 B8R1.8 CCCC1CCCC1 TS82572 [1,0,0,0,1,0|1,0,1]=4 772 B8R1.8 CCCC1CCCC1 TS82652 [1,0,0,0,1,0|1,0,1]=4 773 B8R1.7 B(C1CCCC1)(O)O TS55826 [0,0,0,0,2,0|1,0,1]=4 774 B8R1.7 C1C(NCS1)C(=O)O TS05827 [0,0,0,0,2,0|2,0,0]=4 775 B8R1.7 C1C=CCC1C(=O)O TS16735 [0,0,0,0,2,0|0,0,2]=4 776 B8R1.7 C1CC(NC1)C(=O)N TS39860 [0,0,0,0,2,0|2,0,0]=4 777 B8R1.7 C1CC(NC1)C(=O)O TS04527 [0,0,0,0,2,0|1,0,0]=3 778 B8R1.7 C1CC(OC1)C(=O)O TS65650 [0,0,0,0,2,0|1,0,0]=3 779 B8R1.7 C1CC=C(C1)C(=O)O TS60207 [0,0,0,0,2,0|0,0,2]=4 780 B8R1.7 C1CCC(C1)C(=O)Cl TS36732 [0,0,0,0,2,0|1,0,0]=3 781 B8R1.7 C1CCC(C1)C(=O)N TS04395 [0,0,0,0,2,0|1,0,0]=3 782 B8R1.7 C1CCC(C1)C(=O)O TS55824 [0,0,0,0,2,0|0,0,0]=2 783 B8R1.7 C1CCN(C1)C(=O)Cl TS08208 [0,0,0,0,2,0|2,0,0]=4 784 B8R1.7 C1CNCC1C(=O)N TS32074 [0,0,0,0,2,0|2,0,0]=4 785 B8R1.7 C1CNCC1C(=O)N TS85947 [0,0,0,0,2,0|2,0,0]=4 786 B8R1.7 C1CNCC1C(=O)O TS22734 [0,0,0,0,2,0|1,0,0]=3 787 B8R1.7 C1CNC[C@@H]1C(=O)N TS86748 [0,0,0,0,2,0|2,0,0]=4 788 B8R1.7 C1CNC[C@@H]1C(=O)O TS04526 [0,0,0,0,2,0|1,0,0]=3 789 B8R1.7 C1CNC[C@H]1C(=O)N TS87104 [0,0,0,0,2,0|2,0,0]=4 790 B8R1.7 C1CNC[C@H]1C(=O)N TS90204 [0,0,0,0,2,0|2,0,0]=4 791 B8R1.7 C1CNC[C@H]1C(=O)O TS85658 [0,0,0,0,2,0|1,0,0]=3 792 B8R1.7 C1COCC1C(=O)N TS88172 [0,0,0,0,2,0|2,0,0]=4 793 B8R1.7 C1COCC1C(=O)O TS59430 [0,0,0,0,2,0|1,0,0]=3 794 B8R1.7 C1COC[C@@H]1C(=O)O TS08087 [0,0,0,0,2,0|1,0,0]=3 795 B8R1.7 C1COC[C@H]1C(=O)O TS32191 [0,0,0,0,2,0|1,0,0]=3 796 B8R1.7 C1CSC(N1)C(=O)O TS05828 [0,0,0,0,2,0|2,0,0]=4 797 B8R1.7 C1C[C@@H](NC1)C(=O)N TS09976 [0,0,0,0,2,0|2,0,0]=4 798 B8R1.7 C1C[C@@H](NC1)C(=O)N TS39557 [0,0,0,0,2,0|2,0,0]=4 799 B8R1.7 C1C[C@@H](NC1)C(=O)O TS39558 [0,0,0,0,2,0|1,0,0]=3 800 B8R1.7 C1C[C@@H](NC1)C(=O)O TS93713 [0,0,0,0,2,0|1,0,0]=3 801 B8R1.7 C1C[C@@H](OC1)C(=O)O TS46582 [0,0,0,0,2,0|1,0,0]=3 802 B8R1.7 C1C[C@H](NC1)C(=O)N TS01534 [0,0,0,0,2,0|2,0,0]=4 803 B8R1.7 C1C[C@H](NC1)C(=O)N TS64920 [0,0,0,0,2,0|2,0,0]=4 804 B8R1.7 C1C[C@H](NC1)C(=O)O TS07866 [0,0,0,0,2,0|1,0,0]=3 805 B8R1.7 C1C[C@H](OC1)C(=O)O TS08647 [0,0,0,0,2,0|1,0,0]=3 806 B8R1.7 C1[C@@H](NCS1)C(=O)O TS05829 [0,0,0,0,2,0|2,0,0]=4 807 B8R1.7 CC(=O)C1CCCC1 TS46943 [0,0,0,0,2,0|1,0,0]=3 808 B8R1.7 CC(=O)C1CCCC1 TS52586 [0,0,0,0,2,0|1,0,0]=3 809 B8R1.7 CC(=O)N1CCCC1 TS32010 [0,0,0,0,2,0|2,0,0]=4 810 B8R1.7 CC(C1CCCC1)O TS04475 [0,0,0,0,2,0|1,0,1]=4 811 B8R1.34 C1C(CN1)CC(=O)O TS87434 [0,0,0,0,2,0|1,0,0]=3 812 B8R1.34 C1C(CO1)CC(=O)O TS86855 [0,0,0,0,2,0|1,0,0]=3 813 B8R1.34 C1CC(C1)CC(=O)O TS32065 [0,0,0,0,2,0|0,0,0]=2 814 B10R1.85 C1CCCC(CC1)CCN TS06625 [1,0,0,0,0,1|1,0,1]=4 815 B10R1.85 C1CCCN(CC1)CCO TS40104 [1,0,0,0,0,1|1,0,1]=4 816 B10R1.85 C1CNCCN(C1)CCO TS39233 [1,0,0,0,0,1|1,0,1]=4 817 B12R1.252 C1CCC(CC1)CCCC(=O)O TS45167 [0,0,0,0,0,2|0,0,0]=2 818 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS13838 [0,0,0,0,0,2|0,0,1]=3 819 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS17479 [0,0,0,0,0,2|0,0,1]=3 820 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS33883 [0,0,0,0,0,2|0,0,1]=3 821 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS43539 [0,0,0,0,0,2|0,0,1]=3 822 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS66513 [0,0,0,0,0,2|0,0,1]=3 823 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS81207 [0,0,0,0,0,2|0,0,1]=3 824 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS82408 [0,0,0,0,0,2|0,0,1]=3 825 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS83716 [0,0,0,0,0,2|0,0,1]=3 826 B12R1.252 C1CCC(CC1)NCCC(=O)O TS45330 [0,0,0,0,0,2|0,0,0]=2 827 B12R1.252 C1CNCCC1CCCC(=O)O TS20456 [0,0,0,0,0,2|1,0,0]=3 828 B12R1.252 C1COCCN1CCCC(=O)O TS20809 [0,0,0,0,0,2|2,0,0]=4