0 B10R0.74 CCC(C)CCCCCCBr TS49921 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.74 CCC=CCCOC(=O)CC TS41648 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.74 CCCC=CCOC(=O)CC TS10723 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.74 CCCCCC#CC(=O)OC TS10452 [0,0,0,0,0,0|0,0,2]=2 4 B10R0.74 CCCCCC=CC(=O)OC TS10720 [0,0,0,0,0,0|0,0,2]=2 5 B10R0.74 CCCCCCCC(=O)CC TS41682 [0,0,0,0,0,0|1,0,0]=1 6 B10R0.74 CCCCCCCC(=O)NN TS41952 [0,0,0,0,0,0|2,0,0]=2 7 B10R0.74 CCCCCCCC(=O)N[O-] TS14789 [0,0,0,0,0,0|2,0,0]=2 8 B10R0.74 CCCCCCCC(=O)OC TS01755 [0,0,0,0,0,0|0,0,0]=0 9 B10R0.74 CCCCCCCC(CC)O TS11069 [0,0,0,0,0,0|1,0,2]=3 10 B10R0.74 CCCCCCCC(CCl)Cl TS18419 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.74 CCCCCCCC(CO)O TS11306 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.74 CCCCCCNC(=S)NN TS46017 [0,0,0,0,0,0|3,1,0]=4 13 B10R0.74 CCCCCCOC(=O)C=C TS41638 [0,0,0,0,0,0|2,0,1]=3 14 B10R0.74 CCCCCCOC(=O)CC TS41939 [0,0,0,0,0,0|2,0,0]=2 15 B10R0.74 CCCCCCOC(=O)CN TS18152 [0,0,0,0,0,0|3,0,0]=3 16 B10R0.74 CCCCNCCC(=O)OC TS11160 [0,0,0,0,0,0|1,0,0]=1 17 B10R0.74 CCCCOCNC(=O)C=C TS41795 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.74 COC(=O)CCCCCC=O TS41903 [0,0,0,0,0,0|1,0,1]=2 19 B10R0.74 COC(=O)CCCCCCN TS11176 [0,0,0,0,0,0|1,0,0]=1 20 B10R0.74 COC(=O)CCCCCCN TS85142 [0,0,0,0,0,0|1,0,0]=1 21 B9R0.2 C(CCCBr)CCC(=O)Cl TS24416 [1,0,0,0,0,0|2,0,0]=3 22 B9R0.2 C(CCCBr)CCC(=O)O TS16501 [1,0,0,0,0,0|1,0,0]=2 23 B9R0.2 C(CCCCl)CCC(=O)O TS11959 [1,0,0,0,0,0|1,0,0]=2 24 B9R0.2 C(CCCN)CCC(=O)O TS48161 [1,0,0,0,0,0|1,0,0]=2 25 B9R0.2 C(CCCN)CCC(=O)O TS59742 [1,0,0,0,0,0|1,0,0]=2 26 B9R0.2 C(CCCO)CCC(=O)O TS55677 [1,0,0,0,0,0|1,0,0]=2 27 B9R0.2 CC(=O)OCCCCC=C TS06720 [1,0,0,0,0,0|1,0,2]=4 28 B9R0.2 CC(=O)OCCCCCBr TS20687 [1,0,0,0,0,0|2,0,0]=3 29 B9R0.2 CC(=O)OCCCCCCl TS11956 [1,0,0,0,0,0|2,0,0]=3 30 B9R0.2 CC(C)CCCCCCBr TS39155 [1,0,0,0,0,0|2,0,1]=4 31 B9R0.2 CC(C)CCCCCCN TS06894 [1,0,0,0,0,0|2,0,1]=4 32 B9R0.2 CCC=CCCOC(=O)C TS37598 [1,0,0,0,0,0|1,0,2]=4 33 B9R0.2 CCCC=CCOC(=O)C TS37605 [1,0,0,0,0,0|1,0,2]=4 34 B9R0.2 CCCCC=CCC(=O)O TS37609 [1,0,0,0,0,0|0,0,2]=3 35 B9R0.2 CCCCCC#CC(=O)O TS37382 [1,0,0,0,0,0|0,0,2]=3 36 B9R0.2 CCCCCC=CC(=O)O TS06694 [1,0,0,0,0,0|0,0,2]=3 37 B9R0.2 CCCCCCCC(=C)C TS06520 [1,0,0,0,0,0|1,0,0]=2 38 B9R0.2 CCCCCCCC(=O)C TS06758 [1,0,0,0,0,0|0,0,0]=1 39 B9R0.2 CCCCCCCC(=O)Cl TS11637 [1,0,0,0,0,0|1,0,0]=2 40 B9R0.2 CCCCCCCC(=O)N TS40110 [1,0,0,0,0,0|1,0,0]=2 41 B9R0.2 CCCCCCCC(=O)O TS40219 [1,0,0,0,0,0|0,0,0]=1 42 B9R0.2 CCCCCCCC(=O)[O-] TS43087 [1,0,0,0,0,0|0,0,1]=2 43 B9R0.2 CCCCCCCC(=O)[O-] TS48323 [1,0,0,0,0,0|0,0,1]=2 44 B9R0.2 CCCCCCCC(=O)[O-] TS64558 [1,0,0,0,0,0|0,0,1]=2 45 B9R0.2 CCCCCCCC(C)Br TS39158 [1,0,0,0,0,0|1,0,1]=3 46 B9R0.2 CCCCCCCC(C)C TS37672 [1,0,0,0,0,0|1,0,1]=3 47 B9R0.2 CCCCCCC[C@@H](C)N TS06891 [1,0,0,0,0,0|1,0,1]=3 48 B9R0.2 CCCCCCC[C@H](C)N TS06890 [1,0,0,0,0,0|1,0,1]=3 49 B9R0.2 CCCCCCNC(=S)N TS11310 [1,0,0,0,0,0|2,1,0]=4 50 B9R0.2 CCCCCCOC(=O)C TS40201 [1,0,0,0,0,0|1,0,0]=2 51 B9R0.2 CCCCCCOC(=O)Cl TS11953 [1,0,0,0,0,0|2,0,0]=3 52 B9R0.2 CCCCCCOC(=S)[S-] TS49163 [1,0,0,0,0,0|1,2,0]=4 53 B9R0.2 CCCCNCCC(=O)N TS07002 [1,0,0,0,0,0|2,0,0]=3 54 B9R0.2 CCCCNCCC(=O)O TS40320 [1,0,0,0,0,0|1,0,0]=2 55 B9R0.2 CN(C)CCCCCCN TS07034 [1,0,0,0,0,0|3,0,0]=4 56 B9R0.2 CN(C)CCCCCCO TS40334 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.45 CC=CCCCCC=CC TS06317 [1,0,0,0,0,0|1,0,2]=4 58 B9R0.45 CCC=CCCCCCO TS06747 [1,0,0,0,0,0|2,0,1]=4 59 B9R0.45 CCCCCCC#CCC TS06319 [1,0,0,0,0,0|1,0,2]=4 60 B9R0.45 CCCCCCC=CC=O TS37409 [1,0,0,0,0,0|2,0,1]=4 61 B9R0.45 CCCCCCC=CCC TS06528 [1,0,0,0,0,0|1,0,1]=3 62 B9R0.45 CCCCCCC=CCC TS06538 [1,0,0,0,0,0|1,0,1]=3 63 B9R0.45 CCCCCCC=CCO TS37637 [1,0,0,0,0,0|2,0,1]=4 64 B9R0.45 CCCCCCCC#CC TS06312 [1,0,0,0,0,0|1,0,1]=3 65 B9R0.45 CCCCCCCCC#C TS06311 [1,0,0,0,0,0|1,0,2]=4 66 B9R0.45 CCCCCCCCC=C TS06521 [1,0,0,0,0,0|1,0,2]=4 67 B9R0.45 CCCCCCCCC=O TS06760 [1,0,0,0,0,0|2,0,1]=4 68 B9R0.45 CCCCCCCCCBr TS00421 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.45 CCCCCCCCCC TS37669 [1,0,0,0,0,0|1,0,1]=3 70 B9R0.45 CCCCCCCCCF TS40465 [1,0,0,0,0,0|2,0,1]=4 71 B9R0.45 CCCCCCCCCN TS06895 [1,0,0,0,0,0|2,0,1]=4 72 B9R0.45 CCCCCCCCCO TS07020 [1,0,0,0,0,0|2,0,1]=4 73 B9R0.45 CCCCCCCCCS TS11320 [1,0,0,0,0,0|2,0,1]=4 74 B9R0.45 CCCCCCCCNC TS06887 [1,0,0,0,0,0|1,0,1]=3 75 B9R0.45 CCCCCCCCSC TS11321 [1,0,0,0,0,0|0,1,1]=3 76 B9R0.45 CCCCCCCC[Mg]Br TS22286 [1,0,0,0,0,0|2,0,1]=4 77 B9R0.45 CCCCCCCN=C=O TS37514 [1,0,0,0,0,0|3,0,0]=4 78 B9R0.45 CCCCCCCN=C=S TS10905 [1,0,0,0,0,0|3,0,0]=4 79 B9R0.45 CCCCCCCNCC TS06892 [1,0,0,0,0,0|2,0,0]=3 80 B9R0.45 CCCCCCCSC#N TS10903 [1,0,0,0,0,0|3,0,0]=4 81 B9R0.45 CCCCCNCCCC TS06893 [1,0,0,0,0,0|2,0,1]=4 82 B9R0.45 CCOCCCCOCC TS07247 [1,0,0,0,0,0|3,0,0]=4 83 B9R0.45 CCOCCOCCOC TS40642 [1,0,0,0,0,0|2,0,1]=4 84 B9R0.45 CCSCCCCSCC TS14292 [1,0,0,0,0,0|3,0,0]=4 85 B9R0.45 CNCCCCCCNC TS07026 [1,0,0,0,0,0|2,0,1]=4 86 B9R0.45 CSCCCCCCSC TS14288 [1,0,0,0,0,0|1,1,1]=4 87 B9R0.46 CCCCC#CC(=O)OC TS06464 [1,0,0,0,0,0|0,0,2]=3 88 B9R0.46 CCCCCCC(=O)CC TS06757 [1,0,0,0,0,0|1,0,0]=2 89 B9R0.46 CCCCCCC(=O)OC TS06976 [1,0,0,0,0,0|0,0,0]=1 90 B9R0.46 CCCCCCC(C)CC TS37670 [1,0,0,0,0,0|2,0,1]=4 91 B9R0.46 CCCCCCC(CC)O TS40234 [1,0,0,0,0,0|1,0,2]=4 92 B9R0.46 CCCCCOC(=O)C=C TS06719 [1,0,0,0,0,0|2,0,1]=4 93 B9R0.46 CCCCCOC(=O)CC TS06970 [1,0,0,0,0,0|2,0,0]=3 94 B9R0.46 CCCCCOC(=O)CN TS48166 [1,0,0,0,0,0|3,0,0]=4 95 B9R0.46 COC(=O)C#CCCCO TS06657 [1,0,0,0,0,0|1,0,2]=4 96 B9R0.46 COC(=O)CCCCC#N TS06592 [1,0,0,0,0,0|1,0,1]=3 97 B9R0.46 COC(=O)CCCCC=O TS06941 [1,0,0,0,0,0|1,0,1]=3 98 B9R0.46 COC(=O)CCCCCBr TS20689 [1,0,0,0,0,0|1,0,0]=2 99 B9R0.46 COC(=O)CCCCCN TS48164 [1,0,0,0,0,0|1,0,0]=2 100 B9R0.46 COC(=O)CCCCCO TS40427 [1,0,0,0,0,0|1,0,0]=2 101 B11R0.4 CCCC=CCCC(=O)OCC TS12853 [0,1,0,0,0,0|0,0,2]=3 102 B11R0.4 CCCCCC#CC(=O)OCC TS44904 [0,1,0,0,0,0|0,0,2]=3 103 B11R0.4 CCCCCC=CC(=O)OCC TS12851 [0,1,0,0,0,0|0,0,2]=3 104 B11R0.4 CCCCCCCC(=O)OCC TS45501 [0,1,0,0,0,0|0,0,0]=1 105 B11R0.4 CCCCCCCC(CCC)O TS45536 [0,1,0,0,0,0|1,0,2]=4 106 B11R0.4 CCCCCCOC(=O)CCC TS45526 [0,1,0,0,0,0|2,0,0]=3 107 B11R0.4 CCOC(=O)C=CCCCCCl TS51211 [0,1,0,0,0,0|1,0,2]=4 108 B11R0.4 CCOC(=O)CCCCCCBr TS26009 [0,1,0,0,0,0|1,0,0]=2 109 B11R0.4 CCOC(=O)CCCCCCN TS20825 [0,1,0,0,0,0|1,0,0]=2 110 B11R0.4 CCOC(=O)CCCCCCN TS45672 [0,1,0,0,0,0|1,0,0]=2 111 B11R0.40 CCCCCC=CCC(=O)OC TS12844 [0,1,0,0,0,0|0,0,1]=2 112 B11R0.40 CCCCCCC#CC(=O)OC TS12565 [0,1,0,0,0,0|0,0,1]=2 113 B11R0.40 CCCCCCC=CC(=O)OC TS45171 [0,1,0,0,0,0|0,0,1]=2 114 B11R0.40 CCCCCCCCC(=O)CC TS12886 [0,1,0,0,0,0|1,0,0]=2 115 B11R0.40 CCCCCCCCC(=O)OC TS45510 [0,1,0,0,0,0|0,0,0]=1 116 B11R0.40 CCCCCCCCC(CC)O TS45539 [0,1,0,0,0,0|1,0,2]=4 117 B11R0.40 CCCCOCCOC(=O)C=C TS13179 [0,1,0,0,0,0|2,0,1]=4 118 B11R0.42 CCCCCCCC(=O)N(C)C TS13053 [0,1,0,0,0,0|1,0,0]=2 119 B11R0.42 CCCCCCCC(C(C)C)O TS45538 [0,1,0,0,0,0|1,0,2]=4 120 B11R0.42 CCCCCCCC(C)C(C)C TS45212 [0,1,0,0,0,0|2,0,1]=4 121 B11R0.42 CCCCCCOC(=O)C(=C)C TS12846 [0,1,0,0,0,0|2,0,0]=3 122 B11R0.42 CCCCCCOC(=O)C(C)C TS45507 [0,1,0,0,0,0|2,0,0]=3 123 B11R0.106 COC(=N)CCCCC(=N)OC TS62126 [0,1,0,0,0,0|2,0,1]=4 124 B11R0.106 COC(=O)CCCCC(=O)OC TS39849 [0,1,0,0,0,0|1,0,1]=3 125 B11R0.106 COC(=O)CCCCC(=O)OC TS82950 [0,1,0,0,0,0|1,0,1]=3 126 B11R0.106 COC(=O)CCSCC(=O)OC TS17482 [0,1,0,0,0,0|2,0,1]=4 127 B11R0.111 CC(C)CCCCCC(=O)OC TS13223 [0,1,0,0,0,0|0,0,0]=1 128 B11R0.124 CCCCCCCC(OC)OC TS45843 [0,1,0,0,0,0|0,0,2]=3 129 B11R0.142 CCCCCCC(C(=O)OC)Br TS26013 [0,1,0,0,0,0|0,0,0]=1 130 B11R0.142 CCCCCCC(C(C)CC)O TS45535 [0,1,0,0,0,0|2,0,1]=4 131 B11R0.142 CCCCCCC(C)C(=O)OC TS45513 [0,1,0,0,0,0|0,0,0]=1 132 B11R0.142 CCCCNCC(C)C(=O)OC TS13375 [0,1,0,0,0,0|1,0,0]=2 133 B11R0.154 CCCCCC(CC(=O)OC)O TS45807 [0,1,0,0,0,0|0,0,0]=1 134 B11R1.1 CCCCC1CCC(=O)CC1 TS10476 [0,0,0,1,0,0|1,0,0]=2 135 B11R1.1 CCCCC1CCC(CC1)O TS41689 [0,0,0,1,0,0|1,0,2]=4 136 B11R1.1 CCCCN1CCC(=O)CC1 TS10602 [0,0,0,1,0,0|2,0,0]=3 137 B11R1.25 CCC(=O)OCC1CCCO1 TS41888 [0,0,0,1,0,0|3,0,0]=4 138 B11R1.40 C1CCC(CC1)NC(=O)CCl TS46019 [0,0,0,1,0,0|3,0,0]=4 139 B11R1.40 C1CCC(CC1)NC(=O)CN TS39645 [0,0,0,1,0,0|3,0,0]=4 140 B11R1.40 C1CCC(CC1)NC(=O)CN TS41668 [0,0,0,1,0,0|3,0,0]=4 141 B11R1.40 C1CCC(CC1)NC(=O)NN TS10884 [0,0,0,1,0,0|3,0,0]=4 142 B11R1.40 C1CCC(CC1)OC(=O)CCl TS46197 [0,0,0,1,0,0|3,0,0]=4 143 B11R1.40 C=CC(=O)NC1CCCCC1 TS41301 [0,0,0,1,0,0|2,0,1]=4 144 B11R1.40 C=CC(=O)OC1CCCCC1 TS41402 [0,0,0,1,0,0|2,0,1]=4 145 B11R1.40 CCC(=O)OC1CCCCC1 TS41643 [0,0,0,1,0,0|2,0,0]=3 146 B11R1.40 CCC(=O)OC1CCNCC1 TS17748 [0,0,0,1,0,0|3,0,0]=4 147 B11R1.40 CCC(C)CC1CCCCC1 TS10510 [0,0,0,1,0,0|2,0,1]=4 148 B11R1.40 COC(=O)CC1CCNCC1 TS16617 [0,0,0,1,0,0|1,0,0]=2 149 B11R1.40 COC(=O)CC1CCNCC1 TS17744 [0,0,0,1,0,0|1,0,0]=2 150 B11R1.40 COC(=O)CC1CNCCN1 TS53129 [0,0,0,1,0,0|2,0,0]=3 151 B11R1.40 COC(=O)CC1CNCCO1 TS42031 [0,0,0,1,0,0|2,0,0]=3 152 B11R1.40 COC(=O)CC1COCCN1 TS42032 [0,0,0,1,0,0|2,0,0]=3 153 B11R1.40 COC(=O)CN1CCOCC1 TS42034 [0,0,0,1,0,0|2,0,0]=3 154 B11R1.54 CCC1CCCCC1(CC)O TS10758 [0,0,0,1,0,0|1,0,2]=4 155 B11R1.59 CCN1CCCC1C(=O)NC TS41666 [0,0,0,1,0,0|2,0,0]=3 156 B11R1.59 CCN1CCCC1C(=O)OC TS41796 [0,0,0,1,0,0|1,0,0]=2 157 B11R1.101 C1CCCCC(=O)CCCC1 TS59759 [0,0,0,1,0,0|1,0,0]=2 158 B11R1.101 C1CCCCC(CCCC1)O TS10745 [0,0,0,1,0,0|1,0,2]=4 159 B11R1.222 CN1CCCCC1C(=O)OC TS41788 [0,0,0,1,0,0|1,0,0]=2 160 B11R1.222 COC(=O)C1=C(CCCC1)N TS41529 [0,0,0,1,0,0|1,0,2]=4 161 B11R1.222 COC(=O)C1CCCCC1=O TS10671 [0,0,0,1,0,0|1,0,1]=3 162 B11R1.222 COC(=O)C1CNCCC1=O TS10850 [0,0,0,1,0,0|2,0,1]=4 163 B11R1.222 COC(=O)C1CNCCC1=O TS16577 [0,0,0,1,0,0|2,0,1]=4 164 B11R1.222 COC(=O)C1CSCCC1=O TS45800 [0,0,0,1,0,0|2,0,1]=4 165 B11R1.222 C[C@H]1[C@@H](CCCN1)C(=O)OC TS10875 [0,0,0,1,0,0|1,0,0]=2 166 B11R1.222 C[C@H]1[C@H](CCCN1)C(=O)OC TS10864 [0,0,0,1,0,0|1,0,0]=2 167 B11R1.228 COC(=O)CN1CCCC1=O TS10848 [0,0,0,1,0,0|2,0,1]=4 168 B11R1.852 C1CCCN(CC1)C(=O)CCl TS46021 [0,0,0,1,0,0|3,0,0]=4 169 B11R1.852 COC(=O)C1CCCNCC1 TS90179 [0,0,0,1,0,0|1,0,0]=2 170 B8R0.4 C(CCCN)CCCO TS36619 [2,0,0,0,0,0|1,0,1]=4 171 B8R0.4 C(CCCO)CCCBr TS55654 [2,0,0,0,0,0|1,0,1]=4 172 B8R0.4 C(CCCO)CCCO TS36690 [2,0,0,0,0,0|1,0,1]=4 173 B8R0.4 C=CCCCCCCBr TS01315 [2,0,0,0,0,0|1,0,1]=4 174 B8R0.4 C=CCCCCCCO TS05382 [2,0,0,0,0,0|1,0,1]=4 175 B8R0.4 CCCCCC=CC=O TS36157 [2,0,0,0,0,0|0,0,2]=4 176 B8R0.4 CCCCCC=CCC TS36181 [2,0,0,0,0,0|1,0,1]=4 177 B8R0.4 CCCCCCC#CC TS05062 [2,0,0,0,0,0|0,0,2]=4 178 B8R0.4 CCCCCCC=CC TS05227 [2,0,0,0,0,0|0,0,1]=3 179 B8R0.4 CCCCCCC=NO TS36429 [2,0,0,0,0,0|1,0,1]=4 180 B8R0.4 CCCCCCCC#C TS05045 [2,0,0,0,0,0|0,0,2]=4 181 B8R0.4 CCCCCCCC#N TS05112 [2,0,0,0,0,0|1,0,1]=4 182 B8R0.4 CCCCCCCC=C TS05208 [2,0,0,0,0,0|0,0,1]=3 183 B8R0.4 CCCCCCCC=O TS05399 [2,0,0,0,0,0|0,0,0]=2 184 B8R0.4 CCCCCCCCBr TS00038 [2,0,0,0,0,0|1,0,1]=4 185 B8R0.4 CCCCCCCCC TS05427 [2,0,0,0,0,0|0,0,1]=3 186 B8R0.4 CCCCCCCCCl TS07517 [2,0,0,0,0,0|1,0,1]=4 187 B8R0.4 CCCCCCCCF TS05771 [2,0,0,0,0,0|1,0,1]=4 188 B8R0.4 CCCCCCCCN TS05489 [2,0,0,0,0,0|1,0,1]=4 189 B8R0.4 CCCCCCCCN TS12120 [2,0,0,0,0,0|1,0,1]=4 190 B8R0.4 CCCCCCCCN TS20855 [2,0,0,0,0,0|1,0,1]=4 191 B8R0.4 CCCCCCCCO TS36550 [2,0,0,0,0,0|0,0,1]=3 192 B8R0.4 CCCCCCCCS TS40481 [2,0,0,0,0,0|0,1,1]=4 193 B8R0.4 CCCCCCCC[Si] TS07042 [2,0,0,0,0,0|0,1,1]=4 194 B8R0.4 CCCCCCCNC TS05499 [2,0,0,0,0,0|1,0,0]=3 195 B8R0.4 CCCCCCN=C=O TS36237 [2,0,0,0,0,0|1,0,1]=4 196 B8R0.4 CCCCCCNCC TS05500 [2,0,0,0,0,0|1,0,1]=4 197 B8R0.4 CCCCCCOC=O TS36508 [2,0,0,0,0,0|1,0,0]=3 198 B8R0.4 CCCCCCSCC TS40479 [2,0,0,0,0,0|1,0,1]=4 199 B8R0.4 CCCCCNCCO TS36622 [2,0,0,0,0,0|1,0,1]=4 200 B8R0.4 CCCCCOCC=C TS05379 [2,0,0,0,0,0|1,0,1]=4 201 B8R0.4 CCCCCOCCO TS36691 [2,0,0,0,0,0|1,0,1]=4 202 B8R0.4 CCCCNCCCC TS55846 [2,0,0,0,0,0|1,0,1]=4 203 B8R0.4 CCCCOCCCC TS05599 [2,0,0,0,0,0|1,0,1]=4 204 B8R0.4 CCCCPCCCC TS40455 [2,0,0,0,0,0|1,0,1]=4 205 B8R0.4 CCCCSCCCC TS40480 [2,0,0,0,0,0|1,0,1]=4 206 B8R0.4 CCCC[GeH2]CCCC TS16104 [2,0,0,0,0,0|0,1,1]=4 207 B8R0.4 CCCC[Hg]CCCC TS76737 [2,0,0,0,0,0|1,0,1]=4 208 B8R0.4 CCCC[NH2+]CCCC TS49201 [2,0,0,0,0,0|1,0,1]=4 209 B8R0.4 CCCC[Sn+2]CCCC TS64754 [2,0,0,0,0,0|1,0,1]=4 210 B8R0.4 CCCC[Sn+2]CCCC TS78833 [2,0,0,0,0,0|1,0,1]=4 211 B8R0.4 CCCC[Sn+2]CCCC TS79757 [2,0,0,0,0,0|1,0,1]=4 212 B8R0.4 CCCC[Te]CCCC TS57621 [2,0,0,0,0,0|1,0,1]=4 213 B8R0.4 CCCC[Zn]CCCC TS14479 [2,0,0,0,0,0|1,0,1]=4 214 B8R0.4 CNCCCCCCO TS36615 [2,0,0,0,0,0|1,0,1]=4 215 B8R0.4 COCCCCCOC TS36689 [2,0,0,0,0,0|1,0,0]=3 216 B8R0.4 COCCNCCOC TS05839 [2,0,0,0,0,0|2,0,0]=4 217 B8R0.4 COCCOCCCBr TS53805 [2,0,0,0,0,0|2,0,0]=4 218 B8R0.4 COCCOCCCN TS05831 [2,0,0,0,0,0|2,0,0]=4 219 B8R0.4 COCCOCCOC TS36825 [2,0,0,0,0,0|2,0,0]=4 220 B8R0.4 [B+](CCCC)CCCC TS33566 [2,0,0,0,0,0|1,0,1]=4 221 B8R0.7 B(CCCCCC)(O)O TS32717 [2,0,0,0,0,0|1,0,1]=4 222 B8R0.7 C#CCCCCC(=O)O TS05162 [2,0,0,0,0,0|0,0,2]=4 223 B8R0.7 C(CCC(=O)Cl)CCBr TS21556 [2,0,0,0,0,0|2,0,0]=4 224 B8R0.7 C(CCC(=O)Cl)CCCl TS44963 [2,0,0,0,0,0|2,0,0]=4 225 B8R0.7 C(CCC(=O)N)CCBr TS17766 [2,0,0,0,0,0|2,0,0]=4 226 B8R0.7 C(CCC(=O)N)CCN TS93750 [2,0,0,0,0,0|2,0,0]=4 227 B8R0.7 C(CCC(=O)O)CCBr TS55559 [2,0,0,0,0,0|1,0,0]=3 228 B8R0.7 C(CCC(=O)O)CCCl TS09966 [2,0,0,0,0,0|1,0,0]=3 229 B8R0.7 C(CCC(=O)O)CCN TS33197 [2,0,0,0,0,0|1,0,0]=3 230 B8R0.7 C(CCC(=O)O)CCN TS94650 [2,0,0,0,0,0|1,0,0]=3 231 B8R0.7 C(CCC(=O)O)CCO TS55607 [2,0,0,0,0,0|1,0,0]=3 232 B8R0.7 C(CCON)CC(=O)O TS44444 [2,0,0,0,0,0|2,0,0]=4 233 B8R0.7 C=CCCCCC(=O)O TS36303 [2,0,0,0,0,0|0,0,2]=4 234 B8R0.7 CC(=O)NCCCCN TS43167 [2,0,0,0,0,0|2,0,0]=4 235 B8R0.7 CC(=O)OCCCCBr TS17993 [2,0,0,0,0,0|2,0,0]=4 236 B8R0.7 CC(=O)OCCCCI TS26787 [2,0,0,0,0,0|2,0,0]=4 237 B8R0.7 CC(=O)OCCCSC TS07491 [2,0,0,0,0,0|2,0,0]=4 238 B8R0.7 CCCC=CCC(=O)O TS36290 [2,0,0,0,0,0|0,0,2]=4 239 B8R0.7 CCCCC#CC(=O)O TS36120 [2,0,0,0,0,0|0,0,2]=4 240 B8R0.7 CCCCC=CC(=O)C TS05179 [2,0,0,0,0,0|0,0,2]=4 241 B8R0.7 CCCCC=CC(=O)O TS05335 [2,0,0,0,0,0|0,0,2]=4 242 B8R0.7 CCCCCCC(=O)C TS36325 [2,0,0,0,0,0|0,0,0]=2 243 B8R0.7 CCCCCCC(=O)Cl TS07515 [2,0,0,0,0,0|1,0,0]=3 244 B8R0.7 CCCCCCC(=O)N TS36432 [2,0,0,0,0,0|1,0,0]=3 245 B8R0.7 CCCCCCC(=O)O TS05558 [2,0,0,0,0,0|0,0,0]=2 246 B8R0.7 CCCCCCC(=O)[O-] TS10169 [2,0,0,0,0,0|0,0,1]=3 247 B8R0.7 CCCCCCC(C)Br TS51603 [2,0,0,0,0,0|1,0,1]=4 248 B8R0.7 CCCCCCC(C)C TS05423 [2,0,0,0,0,0|1,0,1]=4 249 B8R0.7 CCCCCCC(C)Cl TS07520 [2,0,0,0,0,0|1,0,1]=4 250 B8R0.7 CCCCCCC(C)I TS26460 [2,0,0,0,0,0|1,0,1]=4 251 B8R0.7 CCCCCCC(C)N TS05493 [2,0,0,0,0,0|1,0,1]=4 252 B8R0.7 CCCCCCC(C)O TS05590 [2,0,0,0,0,0|0,0,2]=4 253 B8R0.7 CCCCCCC(C)S TS40477 [2,0,0,0,0,0|0,1,1]=4 254 B8R0.7 CCCCCC[C@@H](C)N TS05497 [2,0,0,0,0,0|1,0,1]=4 255 B8R0.7 CCCCCC[C@@H](C)O TS05598 [2,0,0,0,0,0|0,0,2]=4 256 B8R0.7 CCCCCC[C@H](C)N TS05488 [2,0,0,0,0,0|1,0,1]=4 257 B8R0.7 CCCCCC[C@H](C)O TS46634 [2,0,0,0,0,0|0,0,2]=4 258 B8R0.7 CCCCCC[N+](=O)[O-] TS36590 [2,0,0,0,0,0|1,0,1]=4 259 B8R0.7 CCCCCOC(=O)C TS05568 [2,0,0,0,0,0|1,0,0]=3 260 B8R0.7 CCCCCOC(=O)Cl TS59753 [2,0,0,0,0,0|2,0,0]=4 261 B8R0.7 CCCCOCC(=O)O TS05720 [2,0,0,0,0,0|1,0,0]=3 262 B8R0.7 CCOCCOC(=O)C TS05728 [2,0,0,0,0,0|2,0,0]=4 263 B8R0.7 COCCOCC(=O)O TS08222 [2,0,0,0,0,0|2,0,0]=4 264 B8R0.6 CCCC#CC(=O)OC TS05154 [2,0,0,0,0,0|0,0,2]=4 265 B8R0.6 CCCC=CC(=O)OC TS36302 [2,0,0,0,0,0|0,0,2]=4 266 B8R0.6 CCCCCC(=O)C=C TS05201 [2,0,0,0,0,0|1,0,1]=4 267 B8R0.6 CCCCCC(=O)CC TS36343 [2,0,0,0,0,0|1,0,0]=3 268 B8R0.6 CCCCCC(=O)NO TS05662 [2,0,0,0,0,0|2,0,0]=4 269 B8R0.6 CCCCCC(=O)OC TS36499 [2,0,0,0,0,0|0,0,0]=2 270 B8R0.6 CCCCNC(=O)CC TS36435 [2,0,0,0,0,0|2,0,0]=4 271 B8R0.6 CCCCNC(=O)OC TS36586 [2,0,0,0,0,0|1,0,0]=3 272 B8R0.6 CCCCOC(=O)CC TS05554 [2,0,0,0,0,0|2,0,0]=4 273 B8R0.6 CCSCCC(=O)OC TS07487 [2,0,0,0,0,0|1,0,0]=3 274 B8R0.6 COC(=O)CCCC#C TS36125 [2,0,0,0,0,0|0,0,2]=4 275 B8R0.6 COC(=O)CCCC=C TS36304 [2,0,0,0,0,0|0,0,2]=4 276 B8R0.6 COC(=O)CCCC=O TS85464 [2,0,0,0,0,0|1,0,1]=4 277 B8R0.6 COC(=O)CCCCBr TS51950 [2,0,0,0,0,0|1,0,0]=3 278 B8R0.6 COC(=O)CCCCCl TS09970 [2,0,0,0,0,0|1,0,0]=3 279 B10R0.3 CCCC(C)CCOC(=O)C TS11027 [1,1,0,0,0,0|1,0,0]=3 280 B10R0.3 CCCC(CCOC(=O)C)S TS46183 [1,1,0,0,0,0|1,0,0]=3 281 B10R0.3 CCOC(=O)CCCC(=O)C TS41896 [1,1,0,0,0,0|1,0,1]=4 282 B10R0.3 CCOC(=O)CCCC(=O)O TS11210 [1,1,0,0,0,0|1,0,1]=4 283 B10R0.4 B(CCCCCCCC)(O)O TS41838 [1,1,0,0,0,0|1,0,1]=4 284 B10R0.4 C#CCCCCCCC(=O)O TS29475 [1,1,0,0,0,0|0,0,1]=3 285 B10R0.4 C(CCCC(=O)O)CCCBr TS01319 [1,1,0,0,0,0|0,0,0]=2 286 B10R0.4 C(CCCC(=O)O)CCCN TS11174 [1,1,0,0,0,0|0,0,0]=2 287 B10R0.4 C(CCCC(=O)O)CCCO TS11268 [1,1,0,0,0,0|0,0,0]=2 288 B10R0.4 C(CCNCCC(=O)O)CN TS68144 [1,1,0,0,0,0|1,0,0]=3 289 B10R0.4 C(COCCOCC(=O)O)N TS11679 [1,1,0,0,0,0|2,0,0]=4 290 B10R0.4 C(COCCOCC(=O)O)N TS47032 [1,1,0,0,0,0|2,0,0]=4 291 B10R0.4 CC(=O)OCCCCCC=C TS10714 [1,1,0,0,0,0|0,0,2]=4 292 B10R0.4 CC(=O)OCCCCCCBr TS50269 [1,1,0,0,0,0|1,0,0]=3 293 B10R0.4 CC(C)CCCCCCCO TS41982 [1,1,0,0,0,0|1,0,1]=4 294 B10R0.4 CCCC=CCCOC(=O)C TS10718 [1,1,0,0,0,0|0,0,2]=4 295 B10R0.4 CCCCC=CCOC(=O)C TS41636 [1,1,0,0,0,0|0,0,2]=4 296 B10R0.4 CCCCCC=CCC(=O)O TS41642 [1,1,0,0,0,0|0,0,1]=3 297 B10R0.4 CCCCCCC#CC(=O)O TS41396 [1,1,0,0,0,0|0,0,1]=3 298 B10R0.4 CCCCCCC=CC(=O)C TS10484 [1,1,0,0,0,0|0,0,1]=3 299 B10R0.4 CCCCCCC=CC(=O)O TS41637 [1,1,0,0,0,0|0,0,1]=3 300 B10R0.4 CCCCCCCCC(=O)C TS10747 [1,1,0,0,0,0|0,0,0]=2 301 B10R0.4 CCCCCCCCC(=O)Cl TS46204 [1,1,0,0,0,0|1,0,0]=3 302 B10R0.4 CCCCCCCCC(=O)N TS10891 [1,1,0,0,0,0|1,0,0]=3 303 B10R0.4 CCCCCCCCC(=O)O TS11031 [1,1,0,0,0,0|0,0,0]=2 304 B10R0.4 CCCCCCCCC(=O)[O-] TS14628 [1,1,0,0,0,0|0,0,1]=3 305 B10R0.4 CCCCCCCCC(C)Br TS49920 [1,1,0,0,0,0|1,0,1]=4 306 B10R0.4 CCCCCCCCC(C)C TS10780 [1,1,0,0,0,0|1,0,1]=4 307 B10R0.4 CCCCCCCCC(C)O TS41974 [1,1,0,0,0,0|0,0,2]=4 308 B10R0.4 CCCCCCCCN(C)C TS22279 [1,1,0,0,0,0|2,0,0]=4 309 B10R0.4 CCCCCCCCN(C)C TS41817 [1,1,0,0,0,0|2,0,0]=4 310 B10R0.4 CCCCCCCC[C@H](C)O TS41983 [1,1,0,0,0,0|0,0,2]=4 311 B10R0.4 CCCCCCCC[N+](=O)[O-] TS11163 [1,1,0,0,0,0|1,0,1]=4 312 B10R0.4 CCCCCCCNC(=O)N TS41954 [1,1,0,0,0,0|1,0,0]=3 313 B10R0.4 CCCCCCCNC(=S)N TS13566 [1,1,0,0,0,0|1,1,0]=4 314 B10R0.4 CCCCCCCOC(=O)Cl TS47643 [1,1,0,0,0,0|1,0,0]=3 315 B10R0.4 CCCCOCCOC(=O)C TS11278 [1,1,0,0,0,0|1,0,0]=3 316 B10R0.4 CNCCCCCCN(C)C TS41989 [1,1,0,0,0,0|2,0,0]=4 317 B10R0.6 C(CCN)C[C@@H](CC(=O)O)N TS25356 [1,1,0,0,0,0|1,0,0]=3 318 B10R0.6 CCCCCC(=O)CC(=O)C TS10719 [1,1,0,0,0,0|0,0,1]=3 319 B10R0.6 CCCCCC(C)CC(=O)O TS11024 [1,1,0,0,0,0|0,0,0]=2 320 B10R0.6 CCCCCC(CC(=O)O)O TS11269 [1,1,0,0,0,0|0,0,0]=2 321 B10R0.6 CCCCCC(CC(C)C)O TS41977 [1,1,0,0,0,0|1,0,1]=4 322 B10R0.6 CCCCOC(=O)CC(=O)C TS41890 [1,1,0,0,0,0|1,0,1]=4 323 B10R0.22 CCCCCCCC(C)(C)Cl TS46209 [1,1,0,0,0,0|1,0,1]=4 324 B10R0.22 CCCCCCCC(C)(C)O TS41969 [1,1,0,0,0,0|0,0,2]=4 325 B10R0.22 CCCCCCCN(=O)(C)C TS42089 [1,1,0,0,0,0|1,0,0]=3 326 B10R0.22 CCCCCCCP(=O)(Cl)Cl TS49214 [1,1,0,0,0,0|2,0,0]=4 327 B10R0.22 CCCCCCCS(=O)(=O)[O-] TS19397 [1,1,0,0,0,0|1,0,1]=4 328 B10R0.22 CCCCCCC[Si](C)(Cl)Cl TS44325 [1,1,0,0,0,0|1,1,0]=4 329 B10R0.75 C(CO)CSC[C@@H](C(=O)O)N TS47766 [1,1,0,0,0,0|2,0,0]=4 330 B10R0.75 CCCCCCC(=O)C(=O)O TS10976 [1,1,0,0,0,0|0,0,1]=3 331 B10R0.75 CCCCCCC(C(=O)O)Br TS50267 [1,1,0,0,0,0|0,0,0]=2 332 B10R0.75 CCCCCCC(C(=O)O)N TS11153 [1,1,0,0,0,0|0,0,0]=2 333 B10R0.75 CCCCCCC(C(=O)O)O TS11275 [1,1,0,0,0,0|0,0,0]=2 334 B10R0.75 CCCCCCC(C(C)C)O TS41973 [1,1,0,0,0,0|1,0,1]=4 335 B10R0.75 CCCCCCC(C)C(=O)O TS11035 [1,1,0,0,0,0|0,0,0]=2 336 B10R0.75 CCCCCC[C@@H](C(=O)O)N TS11157 [1,1,0,0,0,0|0,0,0]=2 337 B10R0.75 CCCCCC[C@H](C(=O)O)N TS11158 [1,1,0,0,0,0|0,0,0]=2 338 B10R0.75 CCCCSC[C@@H](C(=O)O)N TS14083 [1,1,0,0,0,0|1,0,0]=3 339 B10R0.75 CNCCCC[C@@H](C(=O)O)N TS18381 [1,1,0,0,0,0|1,0,0]=3 340 B10R0.78 CC(=O)NCC(CCCCl)Cl TS53956 [1,1,0,0,0,0|2,0,0]=4 341 B10R0.78 CCCCC(C)CCC(=O)O TS41944 [1,1,0,0,0,0|0,0,0]=2 342 B10R0.78 CCCCC(CCC(C)C)O TS11063 [1,1,0,0,0,0|1,0,1]=4 343 B10R0.97 C(CCC(=O)O)CCC(=O)O TS39875 [1,1,0,0,0,0|1,0,1]=4 344 B10R0.97 CC(=O)CCSCCC(=O)C TS45828 [1,1,0,0,0,0|1,0,1]=4 345 B10R0.1 CCCCCCC(CCC)O TS11068 [1,1,0,0,0,0|1,0,1]=4 346 B10R0.71 CCC=CCCCCCCO TS10743 [1,1,0,0,0,0|1,0,1]=4 347 B10R0.71 CCCCCCCC#CCC TS41206 [1,1,0,0,0,0|1,0,1]=4 348 B10R0.71 CCCCCCCC#CCO TS10482 [1,1,0,0,0,0|1,0,1]=4 349 B10R0.71 CCCCCCCC=CC=O TS41440 [1,1,0,0,0,0|1,0,1]=4 350 B10R0.71 CCCCCCCC=CCO TS41687 [1,1,0,0,0,0|1,0,0]=3 351 B10R0.71 CCCCCCCCCCBr TS00033 [1,1,0,0,0,0|1,0,1]=4 352 B10R0.71 CCCCCCCCCCC TS10779 [1,1,0,0,0,0|1,0,1]=4 353 B10R0.71 CCCCCCCCCCCl TS92952 [1,1,0,0,0,0|1,0,1]=4 354 B10R0.71 CCCCCCCCCCF TS42224 [1,1,0,0,0,0|1,0,1]=4 355 B10R0.71 CCCCCCCCCCI TS93518 [1,1,0,0,0,0|1,0,1]=4 356 B10R0.71 CCCCCCCCCCN TS41819 [1,1,0,0,0,0|1,0,1]=4 357 B10R0.71 CCCCCCCCCCO TS41975 [1,1,0,0,0,0|1,0,1]=4 358 B10R0.71 CCCCCCCCCCS TS13579 [1,1,0,0,0,0|1,0,1]=4 359 B10R0.71 CCCCCCCCCOC TS11057 [1,1,0,0,0,0|0,0,1]=3 360 B10R0.71 CCCCCCCCCSC TS13577 [1,1,0,0,0,0|0,1,1]=4 361 B10R0.71 CCCCCCCCNCC TS41820 [1,1,0,0,0,0|1,0,1]=4 362 B10R0.71 CCCCCCCCOC=O TS11019 [1,1,0,0,0,0|0,0,2]=4 363 B10R0.71 CCCCCCCCOCCl TS14311 [1,1,0,0,0,0|0,0,1]=3 364 B10R0.71 CCCCCCCCSCC TS13580 [1,1,0,0,0,0|0,1,1]=4 365 B10R0.71 CCCCCCCOCCO TS11305 [1,1,0,0,0,0|2,0,0]=4 366 B10R0.71 CCCCCNCCCCC TS41815 [1,1,0,0,0,0|1,0,1]=4 367 B10R0.71 CCCCCSCCCCC TS13578 [1,1,0,0,0,0|1,0,1]=4 368 B10R0.91 CCCCCC(CCCC)O TS11059 [1,1,0,0,0,0|1,0,1]=4 369 B10R0.18 CCCCC(=O)CC(=O)OC TS41895 [1,1,0,0,0,0|0,0,1]=3 370 B10R0.18 COCCC(=O)CC(=O)OC TS11223 [1,1,0,0,0,0|1,0,1]=4 371 B10R0.41 CCCCCCC(OC)OC TS11307 [1,1,0,0,0,0|0,0,2]=4 372 B10R0.59 COC(=O)CCCC(=O)OC TS42128 [1,1,0,0,0,0|1,0,1]=4 373 B10R0.83 COC(=O)[C@H](CCCCN)N TS25355 [1,1,0,0,0,0|1,0,0]=3 374 B12R0.1 CCCCCCC#CC(=O)OCC TS48315 [0,2,0,0,0,0|0,0,1]=3 375 B12R0.1 CCCCCCCCC(=O)CCC TS48635 [0,2,0,0,0,0|1,0,0]=3 376 B12R0.1 CCCCCCCCC(=O)OCC TS48949 [0,2,0,0,0,0|0,0,0]=2 377 B12R0.1 CCCCCCCOC(=O)CCC TS48955 [0,2,0,0,0,0|1,0,0]=3 378 B12R0.1 CCOC(=O)CCCCCCCBr TS56136 [0,2,0,0,0,0|0,0,0]=2 379 B12R0.1 CCOC(=O)CCCCCCCCl TS20295 [0,2,0,0,0,0|0,0,0]=2 380 B12R0.1 CCOC(=O)CCCCCN=C=O TS48727 [0,2,0,0,0,0|1,0,1]=4 381 B12R0.4 CCCCCCCC(=O)CC(C)C TS48640 [0,2,0,0,0,0|1,0,0]=3 382 B12R0.4 CCCCCCCC(=O)OC(C)C TS15683 [0,2,0,0,0,0|0,0,0]=2 383 B12R0.4 CCCCCCCC(C)OC(=O)C TS48951 [0,2,0,0,0,0|1,0,1]=4 384 B12R0.4 CCCCCCOC(=O)CC(=O)C TS15650 [0,2,0,0,0,0|2,0,0]=4 385 B12R0.4 CCCCCCOC(=O)CC(C)C TS15684 [0,2,0,0,0,0|2,0,0]=4 386 B12R0.49 CCCCCCOC(=O)C(=CC)C TS48614 [0,2,0,0,0,0|2,0,0]=4 387 B12R0.49 CCCCCCOC(=O)C(C)CC TS15680 [0,2,0,0,0,0|2,0,0]=4 388 B12R0.101 CCCCC(C)CCC(=O)OCC TS48956 [0,2,0,0,0,0|0,0,0]=2 389 B12R0.114 CCCCCCC(C(=O)OCC)Br TS28164 [0,2,0,0,0,0|0,0,0]=2 390 B12R0.114 CCOC(=O)C(=O)CCCCCCl TS20288 [0,2,0,0,0,0|1,0,1]=4 391 B12R0.206 CCCCCCCC(=O)CCCC TS48633 [0,2,0,0,0,0|1,0,0]=3 392 B12R0.206 CCCCCCCC(=O)OCC=C TS48604 [0,2,0,0,0,0|0,0,0]=2 393 B12R0.206 CCCCCCCC(=O)OCCC TS48953 [0,2,0,0,0,0|0,0,0]=2 394 B12R0.277 CCOC(=O)CCCCCC(=O)Cl TS20290 [0,2,0,0,0,0|1,0,1]=4 395 B12R0.277 CCOC(=O)CCCCCC(=O)O TS50726 [0,2,0,0,0,0|1,0,1]=4 396 B12R0.285 CCOC(=O)CCCC(=O)OCC TS15979 [0,2,0,0,0,0|1,0,1]=4 397 B12R0.57 CCCCCCCCC(OC)OC TS16061 [0,2,0,0,0,0|0,0,2]=4 398 B12R0.113 CCCCCCC(C)OC(=O)C=C TS48615 [0,2,0,0,0,0|1,0,1]=4 399 B12R0.183 COC(=N)CCCCCC(=N)OC TS29331 [0,2,0,0,0,0|1,0,1]=4 400 B12R0.183 COC(=O)CCCCCC(=O)OC TS15966 [0,2,0,0,0,0|0,0,1]=3 401 B12R0.183 COC(=O)CCSCCC(=O)OC TS39017 [0,2,0,0,0,0|1,0,1]=4 402 B12R0.184 CC(=O)OCCCCCC(=O)OC TS50721 [0,2,0,0,0,0|0,0,1]=3 403 B12R0.184 CC(C)CCCCCCC(=O)OC TS48958 [0,2,0,0,0,0|0,0,0]=2 404 B12R0.184 CC(C)CCCCCOC(=O)CS TS19839 [0,2,0,0,0,0|2,0,0]=4 405 B12R0.184 CN(C)CCCNCCC(=O)OC TS16039 [0,2,0,0,0,0|1,0,0]=3 406 B12R0.184 COC(=O)CCCCCCC(=O)Cl TS20287 [0,2,0,0,0,0|0,0,1]=3 407 B12R0.184 COC(=O)CCCCCCC(=O)O TS15983 [0,2,0,0,0,0|0,0,1]=3 408 B12R0.248 CCCCC=CCCOC(=O)CC TS48616 [0,2,0,0,0,0|1,0,1]=4 409 B12R0.248 CCCCCC=CC=CC(=O)OC TS15018 [0,2,0,0,0,0|0,0,2]=4 410 B12R0.248 CCCCCCCC=CC(=O)OC TS48606 [0,2,0,0,0,0|0,0,0]=2 411 B12R0.248 CCCCCCCCCC(=O)CC TS15346 [0,2,0,0,0,0|1,0,0]=3 412 B12R0.248 CCCCCCCCCC(=O)OC TS48954 [0,2,0,0,0,0|0,0,0]=2 413 B12R0.248 CCCCCCCCOC(=O)C=C TS48619 [0,2,0,0,0,0|1,0,1]=4 414 B12R0.248 CCCCCCCCOC(=O)CBr TS28166 [0,2,0,0,0,0|2,0,0]=4 415 B12R0.248 CCCCCCCCOC(=O)CN TS23756 [0,2,0,0,0,0|2,0,0]=4 416 B12R0.248 COC(=O)CCCCCCCCO TS50771 [0,2,0,0,0,0|0,0,0]=2 417 B12R0.251 CCCCCCCOC(=O)C(=C)C TS15319 [0,2,0,0,0,0|1,0,0]=3 418 B12R0.251 CCCCOCCOC(=O)C(=C)C TS48923 [0,2,0,0,0,0|2,0,0]=4 419 B12R0.312 CCCCCCCC[Si](C)(C)OC TS19477 [0,2,0,0,0,0|1,1,0]=4 420 B12R0.201 CCCCCCCC(CC)C(=O)O TS48948 [0,2,0,0,0,0|1,0,1]=4 421 B12R0.189 CC(C)CCC(=O)CCC(=O)OC TS15646 [0,2,0,0,0,0|0,0,1]=3 422 B12R0.156 CC(CCCC(=O)OC)C(=O)OC TS50720 [0,2,0,0,0,0|1,0,1]=4 423 B12R0.240 CC(CCC=C(C)C)CC(=O)OC TS48607 [0,2,0,0,0,0|0,0,2]=4 424 B12R0.126 CCCCCC(C=C)OC(=O)CC TS15337 [0,2,0,0,0,0|2,0,0]=4 425 B10R1.16 CCCCC1CCC(=O)O1 TS37606 [1,0,0,1,0,0|0,0,0]=2 426 B10R1.16 CCCCC1CCC(C1)C TS59743 [1,0,0,1,0,0|1,0,1]=4 427 B10R1.16 CCCC[C@@H]1COC(=O)N1 TS06863 [1,0,0,1,0,0|2,0,0]=4 428 B10R1.16 CCCC[C@H]1COC(=O)N1 TS06854 [1,0,0,1,0,0|2,0,0]=4 429 B10R1.18 C1CC(CNC1)CC(=O)O TS14484 [1,0,0,1,0,0|1,0,0]=3 430 B10R1.18 C1CC(CNC1)CC(=O)O TS86609 [1,0,0,1,0,0|1,0,0]=3 431 B10R1.18 C1CCC(=CC1)CC(=O)O TS46941 [1,0,0,1,0,0|0,0,2]=4 432 B10R1.18 C1CCC(CC1)CC(=O)O TS06711 [1,0,0,1,0,0|0,0,0]=2 433 B10R1.18 C1CCC(CC1)NC(=O)N TS06732 [1,0,0,1,0,0|2,0,0]=4 434 B10R1.18 C1CCC(CC1)OC(=O)Cl TS11630 [1,0,0,1,0,0|2,0,0]=4 435 B10R1.18 C1CCN(CC1)CC(=O)O TS06867 [1,0,0,1,0,0|1,0,0]=3 436 B10R1.18 C1CCOC(C1)CC(=O)O TS60188 [1,0,0,1,0,0|1,0,0]=3 437 B10R1.18 C1CN(CCN1)CC(=O)O TS11551 [1,0,0,1,0,0|2,0,0]=4 438 B10R1.18 C1CNCCC1CC(=O)N TS85244 [1,0,0,1,0,0|2,0,0]=4 439 B10R1.18 C1CNCCC1CC(=O)O TS87660 [1,0,0,1,0,0|1,0,0]=3 440 B10R1.18 C1COC(CN1)CC(=O)O TS40294 [1,0,0,1,0,0|2,0,0]=4 441 B10R1.18 C1COCC(N1)CC(=O)O TS40297 [1,0,0,1,0,0|2,0,0]=4 442 B10R1.18 C1COCCC1CC(=O)O TS02099 [1,0,0,1,0,0|1,0,0]=3 443 B10R1.18 C1COCCN1CC(=O)O TS14840 [1,0,0,1,0,0|2,0,0]=4 444 B10R1.18 C1CSCCN1CC(=O)O TS11431 [1,0,0,1,0,0|2,0,0]=4 445 B10R1.18 CC(=C)CC1CCCCC1 TS06328 [1,0,0,1,0,0|1,0,0]=3 446 B10R1.18 CC(=O)CC1=CCCCC1 TS37218 [1,0,0,1,0,0|0,0,2]=4 447 B10R1.18 CC(=O)CC1CCCCC1 TS06510 [1,0,0,1,0,0|0,0,0]=2 448 B10R1.18 CC(=O)NC1CCCNC1 TS16730 [1,0,0,1,0,0|2,0,0]=4 449 B10R1.18 CC(=O)NC1CCNCC1 TS06734 [1,0,0,1,0,0|2,0,0]=4 450 B10R1.18 CC(=O)OC1CCCCC1 TS37599 [1,0,0,1,0,0|1,0,0]=3 451 B10R1.18 CC(C)CC1CCCCC1 TS06527 [1,0,0,1,0,0|1,0,1]=4 452 B10R1.18 CN(C)CC1CCCCC1 TS37520 [1,0,0,1,0,0|2,0,0]=4 453 B10R1.39 CCN1CCC[C@H]1C(=O)N TS06726 [1,0,0,1,0,0|2,0,0]=4 454 B10R1.61 C1CCC(C(C1)C(=O)O)N TS06859 [1,0,0,1,0,0|1,0,0]=3 455 B10R1.61 C1CCC(C(C1)C(=O)O)O TS16698 [1,0,0,1,0,0|1,0,0]=3 456 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)N)O TS40080 [1,0,0,1,0,0|2,0,0]=4 457 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)N)O TS06865 [1,0,0,1,0,0|2,0,0]=4 458 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N TS40083 [1,0,0,1,0,0|1,0,0]=3 459 B10R1.61 C1CC[C@H]([C@H](C1)C(=O)O)N TS14483 [1,0,0,1,0,0|1,0,0]=3 460 B10R1.61 CN1CCCCC1C(=O)O TS08695 [1,0,0,1,0,0|1,0,0]=3 461 B10R1.64 CC(=O)O[C@@H]1CCC[C@H]1O TS06956 [1,0,0,1,0,0|2,0,0]=4 462 B10R1.66 C1CCC(C1)CCC(=O)Cl TS11340 [1,0,0,1,0,0|1,0,0]=3 463 B10R1.66 C1CCC(C1)CCC(=O)O TS37610 [1,0,0,1,0,0|0,0,0]=2 464 B10R1.66 C1CCC(C1)NCC(=O)O TS64976 [1,0,0,1,0,0|1,0,0]=3 465 B10R1.66 C1CCN(C1)CCC(=O)N TS06729 [1,0,0,1,0,0|2,0,0]=4 466 B10R1.66 C1CCN(C1)CCC(=O)O TS06860 [1,0,0,1,0,0|1,0,0]=3 467 B10R1.66 C1COC(O1)CCC(=O)O TS07160 [1,0,0,1,0,0|2,0,0]=4 468 B10R1.66 CC(=O)OCC1CCCO1 TS06945 [1,0,0,1,0,0|2,0,0]=4 469 B10R1.295 CC1(CCCCCCC1)O TS06744 [1,0,0,1,0,0|0,0,2]=4 470 B10R1.348 C1CC(CCNC1)C(=O)O TS86816 [1,0,0,1,0,0|1,0,0]=3 471 B10R1.348 C1CCCC(CC1)C(=O)O TS01402 [1,0,0,1,0,0|0,0,0]=2 472 B10R1.348 CC(=C1CCCCCC1)C TS37233 [1,0,0,1,0,0|1,0,1]=4 473 B10R1.348 CC(=O)N1CCCNCC1 TS06733 [1,0,0,1,0,0|2,0,0]=4 474 B10R1.4 CCCC1CCCCC1C TS06518 [1,0,0,1,0,0|1,0,1]=4 475 B10R1.4 CCC[C@@H]1CCCC[C@H]1C TS06535 [1,0,0,1,0,0|1,0,1]=4 476 B10R1.4 CCC[C@H]1CCCC[C@H]1C TS06531 [1,0,0,1,0,0|1,0,1]=4 477 B10R1.17 CCCCC1CCNCC1 TS14119 [1,0,0,1,0,0|2,0,0]=4 478 B10R1.17 CCCCC1CCNCC1 TS37517 [1,0,0,1,0,0|2,0,0]=4 479 B10R1.17 COCCC1CCNCC1 TS90023 [1,0,0,1,0,0|1,0,1]=4 480 B10R1.21 CCCCCC1CCCC1 TS37439 [1,0,0,1,0,0|1,0,1]=4 481 B10R1.21 CCCCCC1CCCC1 TS82003 [1,0,0,1,0,0|1,0,1]=4 482 B10R1.161 C1CCCC(=NO)CCC1 TS06606 [1,0,0,1,0,0|2,0,0]=4 483 B10R1.161 COC1=CCCCCCC1 TS06514 [1,0,0,1,0,0|0,0,1]=3 484 B10R1.185 C1CCCCC=CCCC1 TS06318 [1,0,0,1,0,0|1,0,0]=3 485 B10R1.185 C1CCCCCCCCC1 TS06536 [1,0,0,1,0,0|1,0,1]=4 486 B10R1.1 CCCC1CCC(=O)CC1 TS06490 [1,0,0,1,0,0|1,0,0]=3 487 B10R1.1 CCCN1CCC(=O)CC1 TS40003 [1,0,0,1,0,0|2,0,0]=4 488 B10R1.15 C1CCC(CC1)C(=O)CBr TS55069 [1,0,0,1,0,0|2,0,0]=4 489 B10R1.15 C1CCC(CC1)C(=O)NN TS37619 [1,0,0,1,0,0|2,0,0]=4 490 B10R1.15 CCC(=O)C1CCCCC1 TS06498 [1,0,0,1,0,0|1,0,0]=3 491 B10R1.15 COC(=O)C1=CCCCC1 TS37383 [1,0,0,1,0,0|0,0,2]=4 492 B10R1.15 COC(=O)C1CCCCC1 TS37591 [1,0,0,1,0,0|0,0,0]=2 493 B10R1.15 COC(=O)C1CCCCN1 TS14488 [1,0,0,1,0,0|1,0,0]=3 494 B10R1.15 COC(=O)C1CCCNC1 TS47800 [1,0,0,1,0,0|1,0,0]=3 495 B10R1.15 COC(=O)C1CCCOC1 TS90411 [1,0,0,1,0,0|1,0,0]=3 496 B10R1.15 COC(=O)C1CCOCC1 TS01559 [1,0,0,1,0,0|1,0,0]=3 497 B10R1.15 COC(=O)C1CCSCC1 TS87422 [1,0,0,1,0,0|1,0,0]=3 498 B10R1.15 COC(=O)C1CNCCN1 TS59352 [1,0,0,1,0,0|2,0,0]=4 499 B10R1.15 COC(=O)N1CCNCC1 TS01553 [1,0,0,1,0,0|2,0,0]=4 500 B10R1.15 COC(=O)[C@@H]1CCCCN1 TS06850 [1,0,0,1,0,0|1,0,0]=3 501 B10R1.15 COC(=O)[C@@H]1CCCCN1 TS46674 [1,0,0,1,0,0|1,0,0]=3 502 B10R1.15 COC(=O)[C@@H]1CCCNC1 TS01536 [1,0,0,1,0,0|1,0,0]=3 503 B10R1.15 COC(=O)[C@@H]1CNCCN1 TS40175 [1,0,0,1,0,0|2,0,0]=4 504 B10R1.15 COC(=O)[C@@H]1CNCCN1 TS87055 [1,0,0,1,0,0|2,0,0]=4 505 B10R1.15 COC(=O)[C@@H]1COCCN1 TS14841 [1,0,0,1,0,0|2,0,0]=4 506 B10R1.15 COC(=O)[C@H]1CCCCN1 TS06858 [1,0,0,1,0,0|1,0,0]=3 507 B10R1.15 COC(=O)[C@H]1CCCCN1 TS14490 [1,0,0,1,0,0|1,0,0]=3 508 B10R1.15 COC(=O)[C@H]1CCCNC1 TS87411 [1,0,0,1,0,0|1,0,0]=3 509 B10R1.15 COC(=O)[C@H]1CNCCN1 TS49219 [1,0,0,1,0,0|2,0,0]=4 510 B10R1.27 COC(=O)CC1CCNC1 TS40088 [1,0,0,1,0,0|1,0,0]=3 511 B10R1.149 COC(=O)C1CCCC1=O TS00090 [1,0,0,1,0,0|1,0,1]=4 512 B10R1.149 COC(=O)C1CCCC1O TS06934 [1,0,0,1,0,0|1,0,0]=3 513 B10R1.149 COC(=O)[C@@H]1[C@@H](CCN1)O TS85620 [1,0,0,1,0,0|2,0,0]=4 514 B10R1.149 COC(=O)[C@@H]1[C@@H](CCN1)O TS85778 [1,0,0,1,0,0|2,0,0]=4 515 B10R1.149 COC(=O)[C@@H]1[C@H](CCN1)O TS92539 [1,0,0,1,0,0|2,0,0]=4 516 B12R1.28 CCCCCC1CCCC(=O)O1 TS12854 [0,1,0,1,0,0|2,0,0]=4 517 B12R1.32 C1CCC(CC1)OC(=O)CCS TS16055 [0,1,0,1,0,0|2,0,0]=4 518 B12R1.32 CCCC(=O)OC1CCCCC1 TS45163 [0,1,0,1,0,0|2,0,0]=4 519 B12R1.32 CCOC(=O)CC1CCCCC1 TS94714 [0,1,0,1,0,0|0,0,0]=2 520 B12R1.32 CCOC(=O)CC1CCCNC1 TS00524 [0,1,0,1,0,0|1,0,0]=3 521 B12R1.32 CCOC(=O)CC1CCCNC1 TS43373 [0,1,0,1,0,0|1,0,0]=3 522 B12R1.32 CCOC(=O)CC1CCNCC1 TS00526 [0,1,0,1,0,0|1,0,0]=3 523 B12R1.32 CCOC(=O)CC1CCOCC1 TS01911 [0,1,0,1,0,0|1,0,0]=3 524 B12R1.32 CCOC(=O)CC1CCOCC1 TS87664 [0,1,0,1,0,0|1,0,0]=3 525 B12R1.32 CCOC(=O)CC1CNCCO1 TS13343 [0,1,0,1,0,0|2,0,0]=4 526 B12R1.32 CCOC(=O)CC1COCCN1 TS13334 [0,1,0,1,0,0|2,0,0]=4 527 B12R1.32 CCOC(=O)CN1CCCCC1 TS45334 [0,1,0,1,0,0|1,0,0]=3 528 B12R1.32 CCOC(=O)CN1CCNCC1 TS45493 [0,1,0,1,0,0|2,0,0]=4 529 B12R1.32 CCOC(=O)CN1CCOCC1 TS20813 [0,1,0,1,0,0|2,0,0]=4 530 B12R1.37 CCCCCCCC1OCCO1 TS13214 [0,1,0,1,0,0|0,0,2]=4 531 B12R1.37 CCCCCCCc1ccco1 TS12290 [0,1,0,1,0,0|1,0,1]=4 532 B12R1.51 CCOC(=O)CCC1CCNC1 TS13030 [0,1,0,1,0,0|1,0,0]=3 533 B12R1.215 C1CCCCCC(=O)CCCC1 TS44920 [0,1,0,1,0,0|1,0,0]=3 534 B12R1.308 CCOC(=O)C1CCCCC1=O TS08496 [0,1,0,1,0,0|1,0,1]=4 535 B12R1.308 CCOC(=O)C1CCCCC1O TS13181 [0,1,0,1,0,0|1,0,0]=3 536 B12R1.308 CCOC(=O)C1CCCCN1C TS01554 [0,1,0,1,0,0|1,0,0]=3 537 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N TS43370 [0,1,0,1,0,0|1,0,0]=3 538 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O TS13180 [0,1,0,1,0,0|1,0,0]=3 539 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1N TS43371 [0,1,0,1,0,0|1,0,0]=3 540 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O TS13183 [0,1,0,1,0,0|1,0,0]=3 541 B12R1.310 CCOC(=O)CCCNC1CC1 TS94135 [0,1,0,1,0,0|1,0,0]=3 542 B12R1.316 CCN1CCC[C@@H]1C(=O)OCC TS45343 [0,1,0,1,0,0|1,0,0]=3 543 B12R1.316 CCN1CCC[C@H]1C(=O)OCC TS13027 [0,1,0,1,0,0|1,0,0]=3 544 B12R1.318 CCOC(=O)CC1CCCC1=O TS64887 [0,1,0,1,0,0|1,0,1]=4 545 B12R1.372 CCCCCCC1=CCCC1=O TS43130 [0,1,0,1,0,0|1,0,1]=4 546 B12R1.372 CCCCCCC1CCCC1=O TS44928 [0,1,0,1,0,0|1,0,0]=3 547 B12R1.372 CCCCCCC1CCOC1=O TS12843 [0,1,0,1,0,0|0,0,0]=2 548 B12R1.372 CCCCCCN1CCCC1=O TS12713 [0,1,0,1,0,0|2,0,0]=4 549 B12R1.1564 CCSC(=O)N1CCCCCC1 TS15853 [0,1,0,1,0,0|1,1,0]=4 550 B12R1.1 CCCCCC1CCC(=O)CC1 TS44917 [0,1,0,1,0,0|1,0,0]=3 551 B12R1.7 CCCCCCC1CCC(=O)O1 TS12849 [0,1,0,1,0,0|1,0,0]=3 552 B12R1.27 COC(=O)C=CC1CCCCC1 TS44897 [0,1,0,1,0,0|0,0,1]=3 553 B12R1.27 COC(=O)CCC1CCCCC1 TS45157 [0,1,0,1,0,0|0,0,0]=2 554 B12R1.27 COC(=O)CCC1CNCCN1 TS02884 [0,1,0,1,0,0|1,0,0]=3 555 B12R1.27 COC(=O)CCC1COCCN1 TS13342 [0,1,0,1,0,0|1,0,0]=3 556 B12R1.27 COC(=O)CCN1CCCCC1 TS45339 [0,1,0,1,0,0|0,0,0]=2 557 B12R1.27 COC(=O)CCN1CCOCC1 TS13332 [0,1,0,1,0,0|1,0,0]=3 558 B12R1.27 COC(=O)COC1CCNCC1 TS13341 [0,1,0,1,0,0|1,0,0]=3 559 B12R1.27 COC(=O)COC1CCNCC1 TS20812 [0,1,0,1,0,0|1,0,0]=3 560 B12R1.150 C1CCCCC(=O)C(=O)CCC1 TS12556 [0,1,0,1,0,0|1,0,0]=3 561 B12R1.150 C1CCCCC(=O)C(CCC1)O TS45158 [0,1,0,1,0,0|1,0,0]=3 562 B12R1.353 COC(=O)CCN1CCCC1=O TS12989 [0,1,0,1,0,0|1,0,1]=4 563 B12R1.365 COC(=O)C1CCCCCC1=O TS32783 [0,1,0,1,0,0|0,0,1]=3 564 B12R1.43 CC(=C)C(=O)NC1CCCCC1 TS12422 [0,1,0,1,0,0|2,0,0]=4 565 B12R1.43 CC(=C)C(=O)OC1CCCCC1 TS44901 [0,1,0,1,0,0|2,0,0]=4 566 B12R1.43 CC(C)C(=O)OC1CCCCC1 TS12861 [0,1,0,1,0,0|2,0,0]=4 567 B12R1.49 CN1CCC(CC1)CC(=O)OC TS89349 [0,1,0,1,0,0|1,0,0]=3 568 B12R1.49 CN1CCN(CC1)CC(=O)OC TS45478 [0,1,0,1,0,0|2,0,0]=4 569 B12R1.1710 COC(=O)[C@@H]1CC[C@H]1C(=O)OC TS01398 [0,1,0,1,0,0|1,0,1]=4 570 B12R1.368 CC(=O)N1CCC[C@H]1C(=O)OC TS12984 [0,1,0,1,0,0|1,0,1]=4 571 B12R1.34 COC(=O)C(C1CCOCC1)N TS13344 [0,1,0,1,0,0|1,0,0]=3 572 B12R1.34 COC(=O)[C@@H](C1CCOCC1)N TS13339 [0,1,0,1,0,0|1,0,0]=3 573 B12R1.34 COC(=O)[C@H](C1CCOCC1)N TS00319 [0,1,0,1,0,0|1,0,0]=3 574 B12R1.108 CC(CN1CCCC1)C(=O)OC TS45327 [0,1,0,1,0,0|1,0,0]=3 575 B12R1.1731 COC(=O)C1(CCCCCC1)N TS20455 [0,1,0,1,0,0|0,0,0]=2 576 B12R1.3524 COC(=O)CC1(CCCCC1)N TS22911 [0,1,0,1,0,0|0,0,0]=2 577 B12R1.3524 COC(=O)CC1(CCCCC1)N TS43374 [0,1,0,1,0,0|0,0,0]=2 578 B12R1.3524 COC(=O)CC1(CCOCC1)N TS13340 [0,1,0,1,0,0|1,0,0]=3 579 B12R1.3524 COC(=O)CC1(CCOCC1)N TS20811 [0,1,0,1,0,0|1,0,0]=3 580 B12R1.31 CCOC(C)O[C@H]1CC(=O)OC1 TS45761 [0,1,0,1,0,0|2,0,0]=4 581 B12R2.2302 C1CC(C1)N2CCC(=O)CC2 TS41292 [0,0,0,2,0,0|2,0,0]=4 582 B12R2.1081 C1CCN2C(C1)CNCC2=O TS59332 [0,0,0,2,0,0|2,0,0]=4 583 B12R2.1081 C1CCN2CCNC(=O)C2C1 TS10459 [0,0,0,2,0,0|2,0,0]=4 584 B12R2.1081 C1CC[C@@H]2[C@@H](C1)CCCC2=O TS10221 [0,0,0,2,0,0|1,0,0]=3 585 B12R2.1596 COC(=O)C1CC2CC1C=C2 TS41143 [0,0,0,2,0,0|0,0,2]=4 586 B12R2.2918 C1CC2(CC(=O)NC2)CNC1 TS85758 [0,0,0,2,0,0|2,0,0]=4 587 B12R2.2918 C1CCC2(CC1)CC(=O)NC2 TS41291 [0,0,0,2,0,0|1,0,0]=3 588 B12R2.2918 C1CNCCC12CC(=O)NC2 TS90040 [0,0,0,2,0,0|2,0,0]=4 589 B12R2.2918 C1COCCC12CC(=O)NC2 TS91303 [0,0,0,2,0,0|2,0,0]=4 590 B12R2.18 CN1C[C@@H]2CCNC[C@@H]2C1=O TS87560 [0,0,0,2,0,0|2,0,0]=4 591 B12R2.18 CN1C[C@H]2CCNC[C@H]2C1=O TS91862 [0,0,0,2,0,0|2,0,0]=4 592 B12R2.3810 COC(=O)C1C2CC1CNC2 TS86498 [0,0,0,2,0,0|1,0,0]=3