0 B9R0.46 C(CCC(CO)O)CCO TS40640 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.46 CCC(C)CCCCC#C TS37234 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.46 CCCC#CCC(CC)O TS06493 [0,0,0,0,0,0|0,0,4]=4 3 B9R0.46 CCCCC#CC(=O)OC TS06464 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.46 CCCCCCC(=O)CC TS06757 [0,0,0,0,0,0|0,0,0]=0 5 B9R0.46 CCCCCCC(=O)OC TS06976 [0,0,0,0,0,0|1,0,0]=1 6 B9R0.46 CCCCCCC(C)C=O TS02438 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.46 CCCCCCC(C)CBr TS39157 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.46 CCCCCCC(C)CC TS37670 [0,0,0,0,0,0|1,0,1]=2 9 B9R0.46 CCCCCCC(C=C)O TS06738 [0,0,0,0,0,0|0,0,4]=4 10 B9R0.46 CCCCCCC(CC)O TS40234 [0,0,0,0,0,0|0,0,2]=2 11 B9R0.46 CCCCCCC(CCl)Cl TS48396 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.46 CCCCCCC(CO)O TS07249 [0,0,0,0,0,0|1,0,2]=3 13 B9R0.46 CCCCCC[C@@H](CO)O TS07255 [0,0,0,0,0,0|1,0,2]=3 14 B9R0.46 CCCCCC[C@H](CF)O TS07486 [0,0,0,0,0,0|1,0,2]=3 15 B9R0.46 CCCCCC[C@H](CO)O TS07254 [0,0,0,0,0,0|1,0,2]=3 16 B9R0.46 CCCCCOC(=O)C=C TS06719 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.46 CCCCCOC(=O)CC TS06970 [0,0,0,0,0,0|1,0,0]=1 18 B9R0.46 CCCCCOC(=O)CN TS48166 [0,0,0,0,0,0|2,0,0]=2 19 B9R0.46 CCCCCOC(=S)S[K] TS19469 [0,0,0,0,0,0|3,1,0]=4 20 B9R0.46 CCOCCOC(=O)C=C TS33054 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.46 CCOCCOC(=O)CCl TS65037 [0,0,0,0,0,0|3,0,0]=3 22 B9R0.46 CC[C@H](C)CCCCCO TS40233 [0,0,0,0,0,0|2,0,1]=3 23 B9R0.46 COC(=O)C#CCCCO TS06657 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.46 COC(=O)CCCCC#N TS06592 [0,0,0,0,0,0|2,0,1]=3 25 B9R0.46 COC(=O)CCCCC=O TS06941 [0,0,0,0,0,0|2,0,1]=3 26 B9R0.46 COC(=O)CCCCCBr TS20689 [0,0,0,0,0,0|2,0,0]=2 27 B9R0.46 COC(=O)CCCCCN TS48164 [0,0,0,0,0,0|2,0,0]=2 28 B9R0.46 COC(=O)CCCCCO TS40427 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.4 C(CCCBr)CCCBr TS68070 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.4 C(CCCCl)CCCCl TS44969 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.4 C(CCCN)CCCN TS05605 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.4 C(CCCN)CCCO TS36619 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.4 C(CCCO)CCCBr TS55654 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.4 C(CCCO)CCCO TS36690 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.4 CC=CCCCC=CC TS05044 [1,0,0,0,0,0|0,0,3]=4 36 B8R0.4 CCC=CCCCCO TS36323 [1,0,0,0,0,0|1,0,1]=3 37 B8R0.4 CCCCC#CCCC TS05048 [1,0,0,0,0,0|0,0,3]=4 38 B8R0.4 CCCCC=CC=CC TS05047 [1,0,0,0,0,0|0,0,3]=4 39 B8R0.4 CCCCC=CCCC TS05206 [1,0,0,0,0,0|0,0,3]=4 40 B8R0.4 CCCCC=COCC TS05398 [1,0,0,0,0,0|1,0,2]=4 41 B8R0.4 CCCCCC#CCBr TS50858 [1,0,0,0,0,0|1,0,2]=4 42 B8R0.4 CCCCCC#CCC TS05059 [1,0,0,0,0,0|0,0,2]=3 43 B8R0.4 CCCCCC#CCCl TS07054 [1,0,0,0,0,0|1,0,2]=4 44 B8R0.4 CCCCCC#CCO TS05190 [1,0,0,0,0,0|1,0,2]=4 45 B8R0.4 CCCCCC=CC=O TS36157 [1,0,0,0,0,0|1,0,2]=4 46 B8R0.4 CCCCCC=CCC TS36181 [1,0,0,0,0,0|0,0,1]=2 47 B8R0.4 CCCCCC=CCO TS05393 [1,0,0,0,0,0|1,0,1]=3 48 B8R0.4 CCCCCCC#CC TS05062 [1,0,0,0,0,0|0,0,2]=3 49 B8R0.4 CCCCCCC=CC TS05227 [1,0,0,0,0,0|0,0,1]=2 50 B8R0.4 CCCCCCC=NO TS36429 [1,0,0,0,0,0|2,0,0]=3 51 B8R0.4 CCCCCCCC#C TS05045 [1,0,0,0,0,0|0,0,3]=4 52 B8R0.4 CCCCCCCC#N TS05112 [1,0,0,0,0,0|1,0,2]=4 53 B8R0.4 CCCCCCCC=C TS05208 [1,0,0,0,0,0|0,0,3]=4 54 B8R0.4 CCCCCCCC=O TS05399 [1,0,0,0,0,0|1,0,2]=4 55 B8R0.4 CCCCCCCCBr TS00038 [1,0,0,0,0,0|1,0,1]=3 56 B8R0.4 CCCCCCCCC TS05427 [1,0,0,0,0,0|0,0,1]=2 57 B8R0.4 CCCCCCCCCl TS07517 [1,0,0,0,0,0|1,0,1]=3 58 B8R0.4 CCCCCCCCF TS05771 [1,0,0,0,0,0|1,0,1]=3 59 B8R0.4 CCCCCCCCN TS05489 [1,0,0,0,0,0|1,0,1]=3 60 B8R0.4 CCCCCCCCN TS12120 [1,0,0,0,0,0|1,0,1]=3 61 B8R0.4 CCCCCCCCN TS20855 [1,0,0,0,0,0|1,0,1]=3 62 B8R0.4 CCCCCCCCO TS36550 [1,0,0,0,0,0|1,0,1]=3 63 B8R0.4 CCCCCCCCS TS40481 [1,0,0,0,0,0|1,0,1]=3 64 B8R0.4 CCCCCCCC[Si] TS07042 [1,0,0,0,0,0|0,1,1]=3 65 B8R0.4 CCCCCCCNC TS05499 [1,0,0,0,0,0|1,0,1]=3 66 B8R0.4 CCCCCCN=C=O TS36237 [1,0,0,0,0,0|2,0,1]=4 67 B8R0.4 CCCCCCN=C=S TS06881 [1,0,0,0,0,0|2,0,1]=4 68 B8R0.4 CCCCCCNCC TS05500 [1,0,0,0,0,0|1,0,0]=2 69 B8R0.4 CCCCCCOC=O TS36508 [1,0,0,0,0,0|2,0,1]=4 70 B8R0.4 CCCCCCSCC TS40479 [1,0,0,0,0,0|1,0,0]=2 71 B8R0.4 CCCCCNCCO TS36622 [1,0,0,0,0,0|2,0,1]=4 72 B8R0.4 CCCCCOCCO TS36691 [1,0,0,0,0,0|2,0,1]=4 73 B8R0.4 CCCCNCCCC TS55846 [1,0,0,0,0,0|1,0,1]=3 74 B8R0.4 CCCCOCCCC TS05599 [1,0,0,0,0,0|1,0,1]=3 75 B8R0.4 CCCCOCCCN TS36614 [1,0,0,0,0,0|2,0,1]=4 76 B8R0.4 CCCCPCCCC TS40455 [1,0,0,0,0,0|1,0,1]=3 77 B8R0.4 CCCCSCCCC TS40480 [1,0,0,0,0,0|1,0,1]=3 78 B8R0.4 CCCC[GeH2]CCCC TS16104 [1,0,0,0,0,0|0,1,1]=3 79 B8R0.4 CCCC[Hg]CCCC TS76737 [1,0,0,0,0,0|1,0,1]=3 80 B8R0.4 CCCC[NH2+]CCCC TS49201 [1,0,0,0,0,0|1,0,1]=3 81 B8R0.4 CCCC[Sn+2]CCCC TS64754 [1,0,0,0,0,0|1,0,1]=3 82 B8R0.4 CCCC[Sn+2]CCCC TS78833 [1,0,0,0,0,0|1,0,1]=3 83 B8R0.4 CCCC[Sn+2]CCCC TS79757 [1,0,0,0,0,0|1,0,1]=3 84 B8R0.4 CCCC[Te]CCCC TS57621 [1,0,0,0,0,0|1,0,1]=3 85 B8R0.4 CCCC[Zn]CCCC TS14479 [1,0,0,0,0,0|1,0,1]=3 86 B8R0.4 CCCOCOCCC TS05761 [1,0,0,0,0,0|2,0,1]=4 87 B8R0.4 CCNCCCNCC TS05606 [1,0,0,0,0,0|2,0,0]=3 88 B8R0.4 CCOCCOCCO TS05898 [1,0,0,0,0,0|3,0,0]=4 89 B8R0.4 CNCCCCCCO TS36615 [1,0,0,0,0,0|2,0,1]=4 90 B8R0.4 COCCCCCOC TS36689 [1,0,0,0,0,0|2,0,1]=4 91 B8R0.4 [B+](CCCC)CCCC TS33566 [1,0,0,0,0,0|1,0,1]=3 92 B8R0.6 CCC(C)CCCCO TS36535 [1,0,0,0,0,0|2,0,1]=4 93 B8R0.6 CCCC#CC(=O)OC TS05154 [1,0,0,0,0,0|1,0,2]=4 94 B8R0.6 CCCC=CC(=O)OC TS36302 [1,0,0,0,0,0|1,0,2]=4 95 B8R0.6 CCCCCC(=O)C=C TS05201 [1,0,0,0,0,0|0,0,2]=3 96 B8R0.6 CCCCCC(=O)CC TS36343 [1,0,0,0,0,0|0,0,0]=1 97 B8R0.6 CCCCCC(=O)NO TS05662 [1,0,0,0,0,0|2,0,0]=3 98 B8R0.6 CCCCCC(=O)OC TS36499 [1,0,0,0,0,0|1,0,0]=2 99 B8R0.6 CCCCCC(C)CC TS05415 [1,0,0,0,0,0|1,0,1]=3 100 B8R0.6 CCCCCC(C)CO TS36542 [1,0,0,0,0,0|2,0,1]=4 101 B8R0.6 CCCCCC(CC)Br TS51604 [1,0,0,0,0,0|1,0,1]=3 102 B8R0.6 CCCCCC(CC)Cl TS07523 [1,0,0,0,0,0|1,0,1]=3 103 B8R0.6 CCCCCC(CC)O TS36536 [1,0,0,0,0,0|0,0,2]=3 104 B8R0.6 CCCCCC(CO)O TS05756 [1,0,0,0,0,0|1,0,2]=4 105 B8R0.6 CCCCNC(=O)C=C TS05274 [1,0,0,0,0,0|1,0,2]=4 106 B8R0.6 CCCCNC(=O)CC TS36435 [1,0,0,0,0,0|1,0,0]=2 107 B8R0.6 CCCCNC(=O)CCl TS40802 [1,0,0,0,0,0|2,0,0]=3 108 B8R0.6 CCCCNC(=O)OC TS36586 [1,0,0,0,0,0|2,0,0]=3 109 B8R0.6 CCCCOC(=O)C#C TS05149 [1,0,0,0,0,0|1,0,2]=4 110 B8R0.6 CCCCOC(=O)C=C TS36291 [1,0,0,0,0,0|1,0,2]=4 111 B8R0.6 CCCCOC(=O)C=O TS36470 [1,0,0,0,0,0|2,0,1]=4 112 B8R0.6 CCCCOC(=O)CC TS05554 [1,0,0,0,0,0|1,0,0]=2 113 B8R0.6 CCCCOC(=O)CCl TS09968 [1,0,0,0,0,0|2,0,0]=3 114 B8R0.6 CCCCOC(=O)CF TS05889 [1,0,0,0,0,0|2,0,0]=3 115 B8R0.6 CCCCOC(=O)CN TS12446 [1,0,0,0,0,0|2,0,0]=3 116 B8R0.6 CCCCOC(=O)CO TS05729 [1,0,0,0,0,0|2,0,0]=3 117 B8R0.6 CCCCOC(=O)CS TS07490 [1,0,0,0,0,0|2,0,0]=3 118 B8R0.6 CCSCCC(=O)OC TS07487 [1,0,0,0,0,0|2,0,0]=3 119 B8R0.6 CC[C@H](C)CCCCO TS05594 [1,0,0,0,0,0|2,0,1]=4 120 B8R0.6 COC(=O)CCCC#C TS36125 [1,0,0,0,0,0|1,0,2]=4 121 B8R0.6 COC(=O)CCCC=C TS36304 [1,0,0,0,0,0|1,0,2]=4 122 B8R0.6 COC(=O)CCCC=O TS85464 [1,0,0,0,0,0|2,0,1]=4 123 B8R0.6 COC(=O)CCCCBr TS51950 [1,0,0,0,0,0|2,0,0]=3 124 B8R0.6 COC(=O)CCCCCl TS09970 [1,0,0,0,0,0|2,0,0]=3 125 B8R0.6 COCCOC(=O)CCl TS10245 [1,0,0,0,0,0|3,0,0]=4 126 B8R0.7 B(CCCCCC)(O)O TS32717 [1,0,0,0,0,0|2,0,1]=4 127 B8R0.7 C#CCCCCC(=O)O TS05162 [1,0,0,0,0,0|1,0,2]=4 128 B8R0.7 C(CCC(=O)Cl)CCBr TS21556 [1,0,0,0,0,0|2,0,0]=3 129 B8R0.7 C(CCC(=O)Cl)CCCl TS44963 [1,0,0,0,0,0|2,0,0]=3 130 B8R0.7 C(CCC(=O)N)CCBr TS17766 [1,0,0,0,0,0|2,0,0]=3 131 B8R0.7 C(CCC(=O)N)CCN TS93750 [1,0,0,0,0,0|2,0,0]=3 132 B8R0.7 C(CCC(=O)O)CCBr TS55559 [1,0,0,0,0,0|2,0,0]=3 133 B8R0.7 C(CCC(=O)O)CCCl TS09966 [1,0,0,0,0,0|2,0,0]=3 134 B8R0.7 C(CCC(=O)O)CCN TS33197 [1,0,0,0,0,0|2,0,0]=3 135 B8R0.7 C(CCC(=O)O)CCN TS94650 [1,0,0,0,0,0|2,0,0]=3 136 B8R0.7 C(CCC(=O)O)CCO TS55607 [1,0,0,0,0,0|2,0,0]=3 137 B8R0.7 C(CCCl)COC(=O)Cl TS12954 [1,0,0,0,0,0|3,0,0]=4 138 B8R0.7 C(CCON)CC(=O)O TS44444 [1,0,0,0,0,0|3,0,0]=4 139 B8R0.7 C=CCCCCC(=O)O TS36303 [1,0,0,0,0,0|1,0,2]=4 140 B8R0.7 CC(=O)NCCCCN TS43167 [1,0,0,0,0,0|2,0,0]=3 141 B8R0.7 CC(=O)OCCCC#C TS05160 [1,0,0,0,0,0|1,0,2]=4 142 B8R0.7 CC(=O)OCCCC=C TS05339 [1,0,0,0,0,0|1,0,2]=4 143 B8R0.7 CC(=O)OCCCCBr TS17993 [1,0,0,0,0,0|2,0,0]=3 144 B8R0.7 CC(=O)OCCCCI TS26787 [1,0,0,0,0,0|2,0,0]=3 145 B8R0.7 CC(=O)OCCCSC TS07491 [1,0,0,0,0,0|2,0,0]=3 146 B8R0.7 CC(=O)OCCOCBr TS53799 [1,0,0,0,0,0|3,0,0]=4 147 B8R0.7 CC(C)CCCCCBr TS51602 [1,0,0,0,0,0|2,0,1]=4 148 B8R0.7 CC(C)CCCCCN TS05491 [1,0,0,0,0,0|2,0,1]=4 149 B8R0.7 CCCC=CCC(=O)O TS36290 [1,0,0,0,0,0|1,0,2]=4 150 B8R0.7 CCCCC#CC(=C)C TS32534 [1,0,0,0,0,0|1,0,2]=4 151 B8R0.7 CCCCC#CC(=O)O TS36120 [1,0,0,0,0,0|1,0,2]=4 152 B8R0.7 CCCCC=CC(=O)C TS05179 [1,0,0,0,0,0|0,0,2]=3 153 B8R0.7 CCCCC=CC(=O)Cl TS07286 [1,0,0,0,0,0|1,0,2]=4 154 B8R0.7 CCCCC=CC(=O)O TS05335 [1,0,0,0,0,0|1,0,2]=4 155 B8R0.7 CCCCCCC(=O)C TS36325 [1,0,0,0,0,0|0,0,0]=1 156 B8R0.7 CCCCCCC(=O)Cl TS07515 [1,0,0,0,0,0|1,0,0]=2 157 B8R0.7 CCCCCCC(=O)N TS36432 [1,0,0,0,0,0|1,0,0]=2 158 B8R0.7 CCCCCCC(=O)O TS05558 [1,0,0,0,0,0|1,0,0]=2 159 B8R0.7 CCCCCCC(=O)[O-] TS10169 [1,0,0,0,0,0|1,0,0]=2 160 B8R0.7 CCCCCCC(C)Br TS51603 [1,0,0,0,0,0|1,0,1]=3 161 B8R0.7 CCCCCCC(C)C TS05423 [1,0,0,0,0,0|1,0,1]=3 162 B8R0.7 CCCCCCC(C)Cl TS07520 [1,0,0,0,0,0|1,0,1]=3 163 B8R0.7 CCCCCCC(C)I TS26460 [1,0,0,0,0,0|1,0,1]=3 164 B8R0.7 CCCCCCC(C)N TS05493 [1,0,0,0,0,0|1,0,1]=3 165 B8R0.7 CCCCCCC(C)O TS05590 [1,0,0,0,0,0|0,0,2]=3 166 B8R0.7 CCCCCCC(C)S TS40477 [1,0,0,0,0,0|0,1,1]=3 167 B8R0.7 CCCCCC[C@@H](C)N TS05497 [1,0,0,0,0,0|1,0,1]=3 168 B8R0.7 CCCCCC[C@@H](C)O TS05598 [1,0,0,0,0,0|0,0,2]=3 169 B8R0.7 CCCCCC[C@H](C)N TS05488 [1,0,0,0,0,0|1,0,1]=3 170 B8R0.7 CCCCCC[C@H](C)O TS46634 [1,0,0,0,0,0|0,0,2]=3 171 B8R0.7 CCCCCC[N+](=O)[O-] TS36590 [1,0,0,0,0,0|2,0,0]=3 172 B8R0.7 CCCCCC[SiH](Cl)Cl TS48718 [1,0,0,0,0,0|2,1,0]=4 173 B8R0.7 CCCCCOC(=O)C TS05568 [1,0,0,0,0,0|1,0,0]=2 174 B8R0.7 CCCCCOC(=O)Cl TS59753 [1,0,0,0,0,0|2,0,0]=3 175 B8R0.7 CCCCCON(=O)=O TS05817 [1,0,0,0,0,0|3,0,0]=4 176 B8R0.7 CCCCOCC(=O)O TS05720 [1,0,0,0,0,0|2,0,0]=3 177 B8R0.7 CCCCOCC(C)O TS05758 [1,0,0,0,0,0|1,0,2]=4 178 B8R0.7 CCOCCOC(=O)C TS05728 [1,0,0,0,0,0|2,0,0]=3 179 B8R0.7 CCOCCOC(=O)Cl TS10247 [1,0,0,0,0,0|3,0,0]=4 180 B8R0.7 COCCOCC(=O)O TS08222 [1,0,0,0,0,0|3,0,0]=4 181 B10R0.1 CCCC(=O)OCCCCO TS11279 [0,1,0,0,0,0|2,0,0]=3 182 B10R0.1 CCCCC#CC(=O)OCC TS41398 [0,1,0,0,0,0|0,0,2]=3 183 B10R0.1 CCCCCCC(=O)CCC TS10748 [0,1,0,0,0,0|0,0,0]=1 184 B10R0.1 CCCCCCC(=O)OCC TS11034 [0,1,0,0,0,0|0,0,0]=1 185 B10R0.1 CCCCCCC(CCC)O TS11068 [0,1,0,0,0,0|0,0,2]=3 186 B10R0.1 CCCCCCC(CCO)O TS19444 [0,1,0,0,0,0|0,0,2]=3 187 B10R0.1 CCCCCCC(CCO)O TS42204 [0,1,0,0,0,0|0,0,2]=3 188 B10R0.1 CCCCCOC(=O)CCC TS41940 [0,1,0,0,0,0|1,0,0]=2 189 B10R0.1 CCOC(=O)C=CCCCCl TS46195 [0,1,0,0,0,0|1,0,2]=4 190 B10R0.1 CCOC(=O)CCCCCBr TS50270 [0,1,0,0,0,0|1,0,0]=2 191 B10R0.1 CCOC(=O)CCCCCN TS53584 [0,1,0,0,0,0|1,0,0]=2 192 B10R0.1 CCOC(=O)CCCCCO TS11263 [0,1,0,0,0,0|1,0,0]=2 193 B10R0.1 CCOC(=O)CCCCC[Zn+] TS57978 [0,1,0,0,0,0|1,0,0]=2 194 B10R0.1 CCOC(=O)CNCCC#N TS10689 [0,1,0,0,0,0|2,0,1]=4 195 B10R0.1 CCOCCOC(=O)CC#N TS10851 [0,1,0,0,0,0|2,0,1]=4 196 B10R0.18 CCCCC(=O)CC(=O)OC TS41895 [0,1,0,0,0,0|1,0,1]=3 197 B10R0.18 COCCC(=O)CC(=O)OC TS11223 [0,1,0,0,0,0|2,0,1]=4 198 B10R0.41 CCCCCCC(OC)OC TS11307 [0,1,0,0,0,0|1,0,2]=4 199 B10R0.41 CCN(CC)CCCCCO TS42088 [0,1,0,0,0,0|3,0,0]=4 200 B10R0.55 COC(=O)CCCCC(=O)Cl TS14308 [0,1,0,0,0,0|2,0,1]=4 201 B10R0.55 COC(=O)CCCCC(=O)[O-] TS11212 [0,1,0,0,0,0|2,0,1]=4 202 B10R0.59 COC(=O)CCCC(=O)OC TS42128 [0,1,0,0,0,0|2,0,1]=4 203 B10R0.62 CCCCCCC(C)(C)CO TS11066 [0,1,0,0,0,0|2,0,1]=4 204 B10R0.62 CCCCCCC(C)(CC)O TS41972 [0,1,0,0,0,0|0,0,2]=3 205 B10R0.74 CCC(C)CCCCCCBr TS49921 [0,1,0,0,0,0|1,0,1]=3 206 B10R0.74 CCC=CCCOC(=O)CC TS41648 [0,1,0,0,0,0|0,0,2]=3 207 B10R0.74 CCCC=CCOC(=O)CC TS10723 [0,1,0,0,0,0|0,0,2]=3 208 B10R0.74 CCCCCC#CC(=O)OC TS10452 [0,1,0,0,0,0|1,0,1]=3 209 B10R0.74 CCCCCC=CC(=O)OC TS10720 [0,1,0,0,0,0|1,0,1]=3 210 B10R0.74 CCCCCCCC(=O)CC TS41682 [0,1,0,0,0,0|0,0,0]=1 211 B10R0.74 CCCCCCCC(=O)NN TS41952 [0,1,0,0,0,0|2,0,0]=3 212 B10R0.74 CCCCCCCC(=O)N[O-] TS14789 [0,1,0,0,0,0|2,0,0]=3 213 B10R0.74 CCCCCCCC(=O)OC TS01755 [0,1,0,0,0,0|1,0,0]=2 214 B10R0.74 CCCCCCCC(CC)O TS11069 [0,1,0,0,0,0|0,0,2]=3 215 B10R0.74 CCCCCCCC(CCl)Cl TS18419 [0,1,0,0,0,0|2,0,1]=4 216 B10R0.74 CCCCCCCC(CO)O TS11306 [0,1,0,0,0,0|1,0,2]=4 217 B10R0.74 CCCCCCNC(=S)NN TS46017 [0,1,0,0,0,0|2,1,0]=4 218 B10R0.74 CCCCCCOC(=O)C=C TS41638 [0,1,0,0,0,0|0,0,2]=3 219 B10R0.74 CCCCCCOC(=O)CC TS41939 [0,1,0,0,0,0|0,0,0]=1 220 B10R0.74 CCCCCCOC(=O)CN TS18152 [0,1,0,0,0,0|1,0,0]=2 221 B10R0.74 CCCCNCCC(=O)OC TS11160 [0,1,0,0,0,0|1,0,0]=2 222 B10R0.74 CCCCOCNC(=O)C=C TS41795 [0,1,0,0,0,0|1,0,2]=4 223 B10R0.74 CCCNCCNC(C)CC TS41993 [0,1,0,0,0,0|2,0,1]=4 224 B10R0.74 COC(=O)CCCCCC=O TS41903 [0,1,0,0,0,0|1,0,1]=3 225 B10R0.74 COC(=O)CCCCCCN TS11176 [0,1,0,0,0,0|1,0,0]=2 226 B10R0.74 COC(=O)CCCCCCN TS85142 [0,1,0,0,0,0|1,0,0]=2 227 B10R0.75 CCCCCCC(=C(F)F)F TS43081 [0,1,0,0,0,0|2,0,1]=4 228 B10R0.75 CCCCCCC(=O)C(=O)O TS10976 [0,1,0,0,0,0|1,0,1]=3 229 B10R0.75 CCCCCCC(=O)C(C)C TS10772 [0,1,0,0,0,0|0,0,0]=1 230 B10R0.75 CCCCCCC(=O)N(C)C TS10894 [0,1,0,0,0,0|1,0,0]=2 231 B10R0.75 CCCCCCC(C(C)C)O TS41973 [0,1,0,0,0,0|0,0,2]=3 232 B10R0.75 CCCCCOC(=O)C(C)C TS11028 [0,1,0,0,0,0|1,0,0]=2 233 B10R0.75 CCCCCOC(=O)C(C)O TS11274 [0,1,0,0,0,0|1,0,0]=2 234 B10R0.75 CCOCCOC(=O)C(=C)C TS41902 [0,1,0,0,0,0|2,0,1]=4 235 B10R0.75 CCOCCOC(=O)C(C)C TS11276 [0,1,0,0,0,0|2,0,0]=3 236 B10R0.75 CCSCCOC(=O)C(=C)C TS45827 [0,1,0,0,0,0|2,0,1]=4 237 B10R0.83 CCCCCC(=O)C(C)CC TS10757 [0,1,0,0,0,0|1,0,2]=4 238 B10R0.83 CCCCCC(C(C)CC)O TS41980 [0,1,0,0,0,0|1,0,1]=3 239 B10R0.83 COC(=O)[C@H](CCCCN)N TS25355 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.1 CCCC1CCC(=O)CC1 TS06490 [0,0,0,1,0,0|0,0,0]=1 241 B10R1.1 CCCC1CCC(CC1)O TS37640 [0,0,0,1,0,0|0,0,2]=3 242 B10R1.1 CCCN1CCC(=O)CC1 TS40003 [0,0,0,1,0,0|1,0,0]=2 243 B10R1.1 CN1CCC(CC1)CCN TS89536 [0,0,0,1,0,0|3,0,0]=4 244 B10R1.1 CN1CCC(CC1)CCO TS89710 [0,0,0,1,0,0|3,0,0]=4 245 B10R1.1 CNCC1CCN(CC1)C TS39914 [0,0,0,1,0,0|3,0,0]=4 246 B10R1.7 C1CCCC(=O)C(CC1)Cl TS11339 [0,0,0,1,0,0|1,0,0]=2 247 B10R1.7 C1CCC[C@@H]([C@@H](CC1)O)O TS06988 [0,0,0,1,0,0|1,0,2]=4 248 B10R1.7 C1CCC[C@@H]([C@H](CC1)O)O TS40198 [0,0,0,1,0,0|1,0,2]=4 249 B10R1.7 C1CCC[C@H]([C@@H](CC1)O)O TS40209 [0,0,0,1,0,0|1,0,2]=4 250 B10R1.15 C1CC(COC1)C(=O)NN TS86835 [0,0,0,1,0,0|3,0,0]=4 251 B10R1.15 C1CCC(CC1)C(=O)CBr TS55069 [0,0,0,1,0,0|1,0,0]=2 252 B10R1.15 C1CCC(CC1)C(=O)NN TS37619 [0,0,0,1,0,0|2,0,0]=3 253 B10R1.15 C1CCC(CC1)[C@H](CO)N TS40098 [0,0,0,1,0,0|2,0,1]=4 254 B10R1.15 C1CCN(CC1)C(=O)CCl TS42362 [0,0,0,1,0,0|2,0,0]=3 255 B10R1.15 C1CCN(CC1)C(=O)CN TS14309 [0,0,0,1,0,0|2,0,0]=3 256 B10R1.15 C1CN(CCN1)C(=O)CCl TS54160 [0,0,0,1,0,0|3,0,0]=4 257 B10R1.15 C1COCCC1C(=O)NN TS90398 [0,0,0,1,0,0|3,0,0]=4 258 B10R1.15 C1COCCN1C(=O)CCl TS42653 [0,0,0,1,0,0|3,0,0]=4 259 B10R1.15 C1COCCN1C(=O)CN TS48008 [0,0,0,1,0,0|3,0,0]=4 260 B10R1.15 C1CSCCN1C(=O)CBr TS23785 [0,0,0,1,0,0|3,0,0]=4 261 B10R1.15 CC(CO)C1CCCCC1 TS06740 [0,0,0,1,0,0|2,0,1]=4 262 B10R1.15 CCC(=O)C1CCCCC1 TS06498 [0,0,0,1,0,0|0,0,0]=1 263 B10R1.15 CCC(=O)N1CCNCC1 TS37618 [0,0,0,1,0,0|2,0,0]=3 264 B10R1.15 CCC(C)C1CCCCC1 TS06524 [0,0,0,1,0,0|1,0,1]=3 265 B10R1.15 COC(=O)C1=CCCCC1 TS37383 [0,0,0,1,0,0|1,0,2]=4 266 B10R1.15 COC(=O)C1CCCCC1 TS37591 [0,0,0,1,0,0|1,0,0]=2 267 B10R1.15 COC(=O)C1CCCCN1 TS14488 [0,0,0,1,0,0|2,0,0]=3 268 B10R1.15 COC(=O)C1CCCNC1 TS47800 [0,0,0,1,0,0|2,0,0]=3 269 B10R1.15 COC(=O)C1CCCOC1 TS90411 [0,0,0,1,0,0|2,0,0]=3 270 B10R1.15 COC(=O)C1CCOCC1 TS01559 [0,0,0,1,0,0|2,0,0]=3 271 B10R1.15 COC(=O)C1CCSCC1 TS87422 [0,0,0,1,0,0|2,0,0]=3 272 B10R1.15 COC(=O)C1CNCCN1 TS59352 [0,0,0,1,0,0|3,0,0]=4 273 B10R1.15 COC(=O)N1CCNCC1 TS01553 [0,0,0,1,0,0|3,0,0]=4 274 B10R1.15 COC(=O)[C@@H]1CCCCN1 TS06850 [0,0,0,1,0,0|2,0,0]=3 275 B10R1.15 COC(=O)[C@@H]1CCCCN1 TS46674 [0,0,0,1,0,0|2,0,0]=3 276 B10R1.15 COC(=O)[C@@H]1CCCNC1 TS01536 [0,0,0,1,0,0|2,0,0]=3 277 B10R1.15 COC(=O)[C@@H]1CNCCN1 TS40175 [0,0,0,1,0,0|3,0,0]=4 278 B10R1.15 COC(=O)[C@@H]1CNCCN1 TS87055 [0,0,0,1,0,0|3,0,0]=4 279 B10R1.15 COC(=O)[C@@H]1COCCN1 TS14841 [0,0,0,1,0,0|3,0,0]=4 280 B10R1.15 COC(=O)[C@H]1CCCCN1 TS06858 [0,0,0,1,0,0|2,0,0]=3 281 B10R1.15 COC(=O)[C@H]1CCCCN1 TS14490 [0,0,0,1,0,0|2,0,0]=3 282 B10R1.15 COC(=O)[C@H]1CCCNC1 TS87411 [0,0,0,1,0,0|2,0,0]=3 283 B10R1.15 COC(=O)[C@H]1CNCCN1 TS49219 [0,0,0,1,0,0|3,0,0]=4 284 B10R1.16 CCCCC1CCC(=O)O1 TS37606 [0,0,0,1,0,0|1,0,0]=2 285 B10R1.16 CCCCC1CCC(C1)C TS59743 [0,0,0,1,0,0|1,0,1]=3 286 B10R1.16 CCCC[C@@H]1COC(=O)N1 TS06863 [0,0,0,1,0,0|2,0,0]=3 287 B10R1.16 CCCC[C@H]1COC(=O)N1 TS06854 [0,0,0,1,0,0|2,0,0]=3 288 B10R1.27 C1CCC(C1)NC(=O)CN TS37620 [0,0,0,1,0,0|2,0,0]=3 289 B10R1.27 C=CC(=O)OC1CCCC1 TS06476 [0,0,0,1,0,0|1,0,2]=4 290 B10R1.27 CC(CC1CCCC1)NC TS37516 [0,0,0,1,0,0|2,0,1]=4 291 B10R1.27 COC(=O)CC1CCNC1 TS40088 [0,0,0,1,0,0|2,0,0]=3 292 B10R1.96 CCN1CCC(C1)CNC TS37646 [0,0,0,1,0,0|3,0,0]=4 293 B10R1.149 COC(=O)C1CCCC1=O TS00090 [0,0,0,1,0,0|2,0,1]=4 294 B10R1.149 COC(=O)C1CCCC1O TS06934 [0,0,0,1,0,0|2,0,0]=3 295 B10R1.149 COC(=O)[C@@H]1[C@@H](CCN1)O TS85620 [0,0,0,1,0,0|3,0,0]=4 296 B10R1.149 COC(=O)[C@@H]1[C@@H](CCN1)O TS85778 [0,0,0,1,0,0|3,0,0]=4 297 B10R1.149 COC(=O)[C@@H]1[C@H](CCN1)O TS92539 [0,0,0,1,0,0|3,0,0]=4 298 B10R1.161 C1CCCC(=NO)CCC1 TS06606 [0,0,0,1,0,0|3,0,0]=4 299 B10R1.161 C1CCCC(CCC1)CI TS63089 [0,0,0,1,0,0|2,0,1]=4 300 B10R1.161 C1CCCC(CCC1)CN TS37522 [0,0,0,1,0,0|2,0,1]=4 301 B10R1.161 COC1=CCCCCCC1 TS06514 [0,0,0,1,0,0|2,0,0]=3 302 B10R1.230 CCC1(CCCCC1C)O TS06763 [0,0,0,1,0,0|0,0,2]=3 303 B10R1.232 C1CCCC(CC1)(CN)O TS01989 [0,0,0,1,0,0|1,0,2]=4 304 B7R0.1 C(CCC=O)CC=O TS29478 [2,0,0,0,0,0|1,0,1]=4 305 B7R0.1 C(CCCBr)CCBr TS07890 [2,0,0,0,0,0|2,0,0]=4 306 B7R0.1 C(CCCBr)CCCl TS00416 [2,0,0,0,0,0|2,0,0]=4 307 B7R0.1 C(CCCBr)CCO TS59727 [2,0,0,0,0,0|2,0,0]=4 308 B7R0.1 C(CCCCl)CCCl TS10546 [2,0,0,0,0,0|2,0,0]=4 309 B7R0.1 C(CCCCl)CCO TS06143 [2,0,0,0,0,0|2,0,0]=4 310 B7R0.1 C(CCCI)CCCl TS27509 [2,0,0,0,0,0|2,0,0]=4 311 B7R0.1 C(CCCN)CCN TS04632 [2,0,0,0,0,0|2,0,0]=4 312 B7R0.1 C(CCCN)CCN TS41228 [2,0,0,0,0,0|2,0,0]=4 313 B7R0.1 C(CCCN)CCN TS41960 [2,0,0,0,0,0|2,0,0]=4 314 B7R0.1 C(CCCN)CCN TS42181 [2,0,0,0,0,0|2,0,0]=4 315 B7R0.1 C(CCCO)CCN TS39356 [2,0,0,0,0,0|2,0,0]=4 316 B7R0.1 C(CCCO)CCO TS46825 [2,0,0,0,0,0|2,0,0]=4 317 B7R0.1 C(CCCS)CCO TS36872 [2,0,0,0,0,0|2,0,0]=4 318 B7R0.1 C(CCCS)CCS TS40940 [2,0,0,0,0,0|2,0,0]=4 319 B7R0.1 C(CCC[Zn+])CCCl TS68903 [2,0,0,0,0,0|2,0,0]=4 320 B7R0.1 C=CCCCCCBr TS59625 [2,0,0,0,0,0|1,0,1]=4 321 B7R0.1 C=CCCCCCCl TS36738 [2,0,0,0,0,0|1,0,1]=4 322 B7R0.1 C=CCCCCCO TS04461 [2,0,0,0,0,0|1,0,1]=4 323 B7R0.1 CCC=CCCC=O TS04313 [2,0,0,0,0,0|0,0,2]=4 324 B7R0.1 CCC=CCCCO TS04463 [2,0,0,0,0,0|1,0,1]=4 325 B7R0.1 CCCC#CCCC TS31857 [2,0,0,0,0,0|0,0,2]=4 326 B7R0.1 CCCC=CCCC TS31958 [2,0,0,0,0,0|0,0,2]=4 327 B7R0.1 CCCCC#CCC TS31859 [2,0,0,0,0,0|0,0,2]=4 328 B7R0.1 CCCCC=CC=O TS04311 [2,0,0,0,0,0|0,0,2]=4 329 B7R0.1 CCCCC=CCC TS04348 [2,0,0,0,0,0|0,0,1]=3 330 B7R0.1 CCCCC=CCC TS31974 [2,0,0,0,0,0|0,0,1]=3 331 B7R0.1 CCCCC=CCO TS32112 [2,0,0,0,0,0|1,0,1]=4 332 B7R0.1 CCCCCC#CC TS31856 [2,0,0,0,0,0|0,0,2]=4 333 B7R0.1 CCCCCC=CC TS31964 [2,0,0,0,0,0|0,0,1]=3 334 B7R0.1 CCCCCCC#C TS31852 [2,0,0,0,0,0|0,0,2]=4 335 B7R0.1 CCCCCCC#N TS31893 [2,0,0,0,0,0|1,0,1]=4 336 B7R0.1 CCCCCCC=O TS32096 [2,0,0,0,0,0|0,0,0]=2 337 B7R0.1 CCCCCCCBr TS00035 [2,0,0,0,0,0|1,0,0]=3 338 B7R0.1 CCCCCCCCl TS36887 [2,0,0,0,0,0|1,0,0]=3 339 B7R0.1 CCCCCCCF TS32353 [2,0,0,0,0,0|1,0,0]=3 340 B7R0.1 CCCCCCCI TS52275 [2,0,0,0,0,0|1,0,0]=3 341 B7R0.1 CCCCCCCN TS04552 [2,0,0,0,0,0|1,0,0]=3 342 B7R0.1 CCCCCCCO TS32232 [2,0,0,0,0,0|1,0,0]=3 343 B7R0.1 CCCCCCCS TS05788 [2,0,0,0,0,0|1,0,0]=3 344 B7R0.1 CCCCCCNC TS04559 [2,0,0,0,0,0|1,0,0]=3 345 B7R0.1 CCCCCCOC TS32254 [2,0,0,0,0,0|1,0,0]=3 346 B7R0.1 CCCCCCSC TS05792 [2,0,0,0,0,0|1,0,0]=3 347 B7R0.1 CCCCCN=C=O TS04390 [2,0,0,0,0,0|1,0,1]=4 348 B7R0.1 CCCCCNCC TS04550 [2,0,0,0,0,0|1,0,0]=3 349 B7R0.1 CCCCCOCC TS32236 [2,0,0,0,0,0|1,0,0]=3 350 B7R0.1 CCCCCON=O TS04662 [2,0,0,0,0,0|2,0,0]=4 351 B7R0.1 CCCCCSCC TS36717 [2,0,0,0,0,0|1,0,0]=3 352 B7R0.1 CCCCNCCC TS04557 [2,0,0,0,0,0|1,0,0]=3 353 B7R0.1 CCCCNCCN TS04633 [2,0,0,0,0,0|2,0,0]=4 354 B7R0.1 CCCCNCCO TS32289 [2,0,0,0,0,0|2,0,0]=4 355 B7R0.1 CCCCNCCS TS36787 [2,0,0,0,0,0|2,0,0]=4 356 B7R0.1 CCCCOCC=C TS32094 [2,0,0,0,0,0|1,0,1]=4 357 B7R0.1 CCCCOCCBr TS48031 [2,0,0,0,0,0|2,0,0]=4 358 B7R0.1 CCCCOCCCl TS06142 [2,0,0,0,0,0|2,0,0]=4 359 B7R0.1 CCCCOCCO TS04738 [2,0,0,0,0,0|2,0,0]=4 360 B7R0.1 CCCCSCCC TS05790 [2,0,0,0,0,0|1,0,0]=3 361 B7R0.1 CCCCSCCO TS36874 [2,0,0,0,0,0|2,0,0]=4 362 B7R0.1 CCCCSSCC TS40937 [2,0,0,0,0,0|2,0,0]=4 363 B7R0.1 CCCNCCCN TS32259 [2,0,0,0,0,0|2,0,0]=4 364 B7R0.1 CCCNCCN=O TS04604 [2,0,0,0,0,0|2,0,0]=4 365 B7R0.1 CCCOCCCN TS32295 [2,0,0,0,0,0|2,0,0]=4 366 B7R0.1 CCCSSCCC TS40941 [2,0,0,0,0,0|2,0,0]=4 367 B7R0.1 CCNCCCCN TS36623 [2,0,0,0,0,0|2,0,0]=4 368 B7R0.1 CCNCCCCO TS32294 [2,0,0,0,0,0|2,0,0]=4 369 B7R0.1 CCNCCNCC TS32258 [2,0,0,0,0,0|2,0,0]=4 370 B7R0.1 CCOCCCCCl TS06141 [2,0,0,0,0,0|2,0,0]=4 371 B7R0.1 CCOCCOCC TS32341 [2,0,0,0,0,0|2,0,0]=4 372 B7R0.1 CNCCCCC=C TS93899 [2,0,0,0,0,0|1,0,1]=4 373 B7R0.1 CNCCCCNC TS04634 [2,0,0,0,0,0|2,0,0]=4 374 B7R0.1 CSCCCCSC TS40938 [2,0,0,0,0,0|2,0,0]=4 375 B7R0.3 CCC(=O)NCCO TS32284 [2,0,0,0,0,0|2,0,0]=4 376 B7R0.3 CCCCC(=C)CC TS04366 [2,0,0,0,0,0|1,0,0]=3 377 B7R0.3 CCCCC(=CC)C TS04336 [2,0,0,0,0,0|1,0,1]=4 378 B7R0.3 CCCCC(=O)CC TS04462 [2,0,0,0,0,0|0,0,0]=2 379 B7R0.3 CCCCC(=O)NC TS32169 [2,0,0,0,0,0|1,0,0]=3 380 B7R0.3 CCCCC(=O)NN TS04606 [2,0,0,0,0,0|2,0,0]=4 381 B7R0.3 CCCCC(=O)OC TS32226 [2,0,0,0,0,0|1,0,0]=3 382 B7R0.3 CCCCC(C)CC TS32121 [2,0,0,0,0,0|1,0,1]=4 383 B7R0.3 CCCCC(CC)Br TS14340 [2,0,0,0,0,0|1,0,1]=4 384 B7R0.3 CCCCC(CC)N TS04554 [2,0,0,0,0,0|1,0,1]=4 385 B7R0.3 CCCCC(CC)O TS04628 [2,0,0,0,0,0|0,0,2]=4 386 B7R0.3 CCCOC(=O)CCl TS06137 [2,0,0,0,0,0|2,0,0]=4 387 B7R0.3 CCCOC(=O)CN TS41315 [2,0,0,0,0,0|2,0,0]=4 388 B7R0.3 CCCOC(=O)OC TS32321 [2,0,0,0,0,0|2,0,0]=4 389 B7R0.3 CCCSC(=O)CC TS05773 [2,0,0,0,0,0|1,0,0]=3 390 B7R0.3 COC(=O)CCCBr TS09599 [2,0,0,0,0,0|2,0,0]=4 391 B7R0.3 COC(=O)CCCCl TS06131 [2,0,0,0,0,0|2,0,0]=4 392 B7R0.3 COC(=O)CCCI TS52575 [2,0,0,0,0,0|2,0,0]=4 393 B7R0.3 COC(=O)CCCN TS41316 [2,0,0,0,0,0|2,0,0]=4 394 B7R0.3 COC(=O)CCSC TS05919 [2,0,0,0,0,0|2,0,0]=4 395 B7R0.3 COCCC(=O)OC TS32322 [2,0,0,0,0,0|2,0,0]=4 396 B7R0.4 C(CCBr)CC(=O)Cl TS71477 [2,0,0,0,0,0|2,0,0]=4 397 B7R0.4 C(CCBr)CC(=O)O TS14721 [2,0,0,0,0,0|2,0,0]=4 398 B7R0.4 C(CCCl)CC(=O)Cl TS10542 [2,0,0,0,0,0|2,0,0]=4 399 B7R0.4 C(CCCl)CC(=O)O TS06138 [2,0,0,0,0,0|2,0,0]=4 400 B7R0.4 C(CCN)CC(=O)O TS04661 [2,0,0,0,0,0|2,0,0]=4 401 B7R0.4 C(CCN)CC(=O)O TS41314 [2,0,0,0,0,0|2,0,0]=4 402 B7R0.4 CC(=O)CCCC#N TS04252 [2,0,0,0,0,0|1,0,1]=4 403 B7R0.4 CC(=O)CCCCBr TS47671 [2,0,0,0,0,0|1,0,0]=3 404 B7R0.4 CC(=O)CCCCCl TS05947 [2,0,0,0,0,0|1,0,0]=3 405 B7R0.4 CC(=O)OCCCCl TS06130 [2,0,0,0,0,0|2,0,0]=4 406 B7R0.4 CC(=O)OCCOC TS32328 [2,0,0,0,0,0|2,0,0]=4 407 B7R0.4 CCCC#CC(=O)C TS31834 [2,0,0,0,0,0|0,0,2]=4 408 B7R0.4 CCCC=CC(=O)C TS31936 [2,0,0,0,0,0|0,0,2]=4 409 B7R0.4 CCCCC=C(C)C TS04347 [2,0,0,0,0,0|1,0,1]=4 410 B7R0.4 CCCCCC(=C)C TS04340 [2,0,0,0,0,0|1,0,0]=3 411 B7R0.4 CCCCCC(=O)C TS32098 [2,0,0,0,0,0|0,0,0]=2 412 B7R0.4 CCCCCC(=O)Cl TS05948 [2,0,0,0,0,0|1,0,0]=3 413 B7R0.4 CCCCCC(=O)N TS32152 [2,0,0,0,0,0|1,0,0]=3 414 B7R0.4 CCCCCC(=O)O TS32204 [2,0,0,0,0,0|1,0,0]=3 415 B7R0.4 CCCCCC(=O)[O-] TS37174 [2,0,0,0,0,0|1,0,0]=3 416 B7R0.4 CCCCCC(=O)[O-] TS58596 [2,0,0,0,0,0|1,0,0]=3 417 B7R0.4 CCCCCC(C)Br TS14342 [2,0,0,0,0,0|1,0,1]=4 418 B7R0.4 CCCCCC(C)C TS32120 [2,0,0,0,0,0|1,0,1]=4 419 B7R0.4 CCCCCC(C)Cl TS05959 [2,0,0,0,0,0|1,0,1]=4 420 B7R0.4 CCCCCC(C)N TS04560 [2,0,0,0,0,0|1,0,1]=4 421 B7R0.4 CCCCCC(C)O TS32255 [2,0,0,0,0,0|0,0,2]=4 422 B7R0.4 CCCCC[C@@H](C)N TS04556 [2,0,0,0,0,0|1,0,1]=4 423 B7R0.4 CCCCC[C@@H](C)O TS04622 [2,0,0,0,0,0|0,0,2]=4 424 B7R0.4 CCCCC[C@H](C)N TS04553 [2,0,0,0,0,0|1,0,1]=4 425 B7R0.4 CCCCC[C@H](C)O TS32248 [2,0,0,0,0,0|0,0,2]=4 426 B7R0.4 CCCCC[N+](=O)[O-] TS04659 [2,0,0,0,0,0|2,0,0]=4 427 B7R0.4 CCCCNC(=O)C TS32171 [2,0,0,0,0,0|1,0,0]=3 428 B7R0.4 CCCCNC(=O)N TS04607 [2,0,0,0,0,0|2,0,0]=4 429 B7R0.4 CCCCOC(=O)C TS32218 [2,0,0,0,0,0|1,0,0]=3 430 B7R0.4 CCCCOC(=O)Cl TS16538 [2,0,0,0,0,0|2,0,0]=4 431 B7R0.4 CCCCOC(=O)N TS04660 [2,0,0,0,0,0|2,0,0]=4 432 B7R0.4 CCCCOC(=S)C TS05777 [2,0,0,0,0,0|1,1,0]=4 433 B7R0.4 CCCNCC(=O)O TS04670 [2,0,0,0,0,0|2,0,0]=4 434 B7R0.4 CCCOCC(=O)O TS32314 [2,0,0,0,0,0|2,0,0]=4 435 B7R0.4 CCCSCC(=O)O TS05921 [2,0,0,0,0,0|2,0,0]=4 436 B7R0.4 CCOCCC(=O)C TS04589 [2,0,0,0,0,0|1,0,0]=3 437 B7R0.4 CCOCCC(=O)O TS32325 [2,0,0,0,0,0|2,0,0]=4 438 B7R0.4 CNCCCC(=O)O TS41308 [2,0,0,0,0,0|2,0,0]=4 439 B9R0.2 CC(C)CCCCCCBr TS39155 [1,1,0,0,0,0|1,0,1]=4 440 B9R0.2 CC(C)CCCCCCN TS06894 [1,1,0,0,0,0|1,0,1]=4 441 B9R0.2 CCCCCCCC(=C)C TS06520 [1,1,0,0,0,0|0,0,2]=4 442 B9R0.2 CCCCCCCC(=O)C TS06758 [1,1,0,0,0,0|0,0,2]=4 443 B9R0.2 CCCCCCCC(C)Br TS39158 [1,1,0,0,0,0|0,0,1]=3 444 B9R0.2 CCCCCCCC(C)C TS37672 [1,1,0,0,0,0|0,0,1]=3 445 B9R0.2 CCCCCCC[C@@H](C)N TS06891 [1,1,0,0,0,0|0,0,1]=3 446 B9R0.2 CCCCCCC[C@H](C)N TS06890 [1,1,0,0,0,0|0,0,1]=3 447 B9R0.2 CCCCCCOC(=O)C TS40201 [1,1,0,0,0,0|1,0,1]=4 448 B9R0.5 CCCCCC(=O)CCC TS06764 [1,1,0,0,0,0|0,0,2]=4 449 B9R0.5 CCCCCC(=O)OCC TS06974 [1,1,0,0,0,0|1,0,1]=4 450 B9R0.5 CCCCCC(C)CCC TS37671 [1,1,0,0,0,0|0,0,1]=3 451 B9R0.5 CCCCCC(CCC)O TS40239 [1,1,0,0,0,0|0,0,1]=3 452 B9R0.18 CCCCC(=O)CCCC TS39918 [1,1,0,0,0,0|0,0,2]=4 453 B9R0.18 CCCCC(C)CCCC TS06794 [1,1,0,0,0,0|0,0,1]=3 454 B9R0.18 CCCCC(CCCC)N TS06896 [1,1,0,0,0,0|0,0,1]=3 455 B9R0.18 CCCCC(CCCC)O TS40240 [1,1,0,0,0,0|0,0,1]=3 456 B9R0.18 CCCCN(C)CCCC TS06888 [1,1,0,0,0,0|1,0,1]=4 457 B9R0.18 CCCCN(CCCC)Cl TS11776 [1,1,0,0,0,0|1,0,1]=4 458 B9R0.18 CCCCS(=O)CCCC TS42514 [1,1,0,0,0,0|1,0,1]=4 459 B9R0.18 CCCC[Sn](=O)CCCC TS27846 [1,1,0,0,0,0|1,0,1]=4 460 B9R0.18 CCCC[Sn](=S)CCCC TS30112 [1,1,0,0,0,0|1,0,1]=4 461 B9R0.18 CCOCC(COCC)O TS40636 [1,1,0,0,0,0|2,0,0]=4 462 B9R0.45 C(CCCCBr)CCCBr TS74186 [1,1,0,0,0,0|1,0,1]=4 463 B9R0.45 C(CCCCBr)CCCO TS59627 [1,1,0,0,0,0|1,0,1]=4 464 B9R0.45 C(CCCCCl)CCCCl TS48395 [1,1,0,0,0,0|1,0,1]=4 465 B9R0.45 C(CCCCCl)CCCO TS55696 [1,1,0,0,0,0|1,0,1]=4 466 B9R0.45 C(CCCCN)CCCN TS07039 [1,1,0,0,0,0|1,0,1]=4 467 B9R0.45 C(CCCCN)CCCN TS49233 [1,1,0,0,0,0|1,0,1]=4 468 B9R0.45 C(CCCCO)CCCN TS40336 [1,1,0,0,0,0|1,0,1]=4 469 B9R0.45 C(CCCCO)CCCO TS34596 [1,1,0,0,0,0|1,0,1]=4 470 B9R0.45 C(CCCCS)CCCS TS14294 [1,1,0,0,0,0|1,0,1]=4 471 B9R0.45 CC=CCCCCC=CC TS06317 [1,1,0,0,0,0|0,0,2]=4 472 B9R0.45 CCC=CCCC=CCC TS06314 [1,1,0,0,0,0|0,0,2]=4 473 B9R0.45 CCC=CCCCCC=O TS06506 [1,1,0,0,0,0|0,0,2]=4 474 B9R0.45 CCC=CCCCCCO TS06747 [1,1,0,0,0,0|0,0,1]=3 475 B9R0.45 CCCCC#CCCCC TS06315 [1,1,0,0,0,0|0,0,2]=4 476 B9R0.45 CCCCC=CCCCC TS06526 [1,1,0,0,0,0|0,0,2]=4 477 B9R0.45 CCCCC=CCCCC TS06534 [1,1,0,0,0,0|0,0,2]=4 478 B9R0.45 CCCCCC#CCCC TS06313 [1,1,0,0,0,0|0,0,2]=4 479 B9R0.45 CCCCCC#CCCO TS06497 [1,1,0,0,0,0|0,0,2]=4 480 B9R0.45 CCCCCC=CCCC TS06525 [1,1,0,0,0,0|0,0,1]=3 481 B9R0.45 CCCCCC=CCCC TS06539 [1,1,0,0,0,0|0,0,1]=3 482 B9R0.45 CCCCCC=CCCO TS06745 [1,1,0,0,0,0|0,0,1]=3 483 B9R0.45 CCCCCC=COCC TS06766 [1,1,0,0,0,0|0,0,1]=3 484 B9R0.45 CCCCCCC#CCC TS06319 [1,1,0,0,0,0|0,0,1]=3 485 B9R0.45 CCCCCCC#CCO TS06501 [1,1,0,0,0,0|0,0,2]=4 486 B9R0.45 CCCCCCC=CC=O TS37409 [1,1,0,0,0,0|0,0,2]=4 487 B9R0.45 CCCCCCC=CCC TS06528 [1,1,0,0,0,0|0,0,0]=2 488 B9R0.45 CCCCCCC=CCC TS06538 [1,1,0,0,0,0|0,0,0]=2 489 B9R0.45 CCCCCCC=CCO TS37637 [1,1,0,0,0,0|0,0,1]=3 490 B9R0.45 CCCCCCCC#CC TS06312 [1,1,0,0,0,0|0,0,2]=4 491 B9R0.45 CCCCCCCCC#C TS06311 [1,1,0,0,0,0|0,0,2]=4 492 B9R0.45 CCCCCCCCC=C TS06521 [1,1,0,0,0,0|0,0,2]=4 493 B9R0.45 CCCCCCCCC=O TS06760 [1,1,0,0,0,0|0,0,2]=4 494 B9R0.45 CCCCCCCCCBr TS00421 [1,1,0,0,0,0|0,0,1]=3 495 B9R0.45 CCCCCCCCCC TS37669 [1,1,0,0,0,0|0,0,1]=3 496 B9R0.45 CCCCCCCCCF TS40465 [1,1,0,0,0,0|0,0,1]=3 497 B9R0.45 CCCCCCCCCN TS06895 [1,1,0,0,0,0|0,0,1]=3 498 B9R0.45 CCCCCCCCCO TS07020 [1,1,0,0,0,0|0,0,1]=3 499 B9R0.45 CCCCCCCCCS TS11320 [1,1,0,0,0,0|0,0,1]=3 500 B9R0.45 CCCCCCCCNC TS06887 [1,1,0,0,0,0|0,0,1]=3 501 B9R0.45 CCCCCCCCSC TS11321 [1,1,0,0,0,0|0,0,1]=3 502 B9R0.45 CCCCCCCC[Mg]Br TS22286 [1,1,0,0,0,0|1,0,1]=4 503 B9R0.45 CCCCCCCNCC TS06892 [1,1,0,0,0,0|0,0,1]=3 504 B9R0.45 CCCCCCNCCN TS07030 [1,1,0,0,0,0|1,0,0]=3 505 B9R0.45 CCCCCCNCCO TS40337 [1,1,0,0,0,0|1,0,0]=3 506 B9R0.45 CCCCCCOCC=C TS06762 [1,1,0,0,0,0|1,0,1]=4 507 B9R0.45 CCCCCCOCCO TS07250 [1,1,0,0,0,0|1,0,0]=3 508 B9R0.45 CCCCCCSCCCl TS14704 [1,1,0,0,0,0|1,0,0]=3 509 B9R0.45 CCCCCCSCCO TS42515 [1,1,0,0,0,0|1,0,0]=3 510 B9R0.45 CCCCCNCCCC TS06893 [1,1,0,0,0,0|0,0,1]=3 511 B9R0.45 CCCCNCCCCO TS40341 [1,1,0,0,0,0|1,0,1]=4 512 B9R0.45 CCCCSSCCCC TS14290 [1,1,0,0,0,0|1,0,1]=4 513 B9R0.45 CCOCCCCOCC TS07247 [1,1,0,0,0,0|1,0,0]=3 514 B9R0.45 CCOCCOCCCN TS07368 [1,1,0,0,0,0|2,0,0]=4 515 B9R0.45 CCOCCOCCOC TS40642 [1,1,0,0,0,0|2,0,0]=4 516 B9R0.45 CCSCCCCSCC TS14292 [1,1,0,0,0,0|1,0,0]=3 517 B9R0.45 CNCCCCCCNC TS07026 [1,1,0,0,0,0|1,0,1]=4 518 B9R0.45 CSCCCCCCSC TS14288 [1,1,0,0,0,0|1,0,1]=4 519 B9R0.1 CC(C)CCCC(=O)OC TS06994 [1,1,0,0,0,0|1,0,0]=3 520 B9R0.1 CC(C)CCOC(=O)CS TS11612 [1,1,0,0,0,0|2,0,0]=4 521 B9R0.1 CCC(=O)OCCC(C)C TS06990 [1,1,0,0,0,0|1,0,0]=3 522 B9R0.1 CCC(C)CCCC(C)C TS06782 [1,1,0,0,0,0|1,0,1]=4 523 B9R0.8 CCCCC(C(=O)OC)Br TS20685 [1,1,0,0,0,0|1,0,0]=3 524 B9R0.8 CCCCC(C(=O)OC)Br TS93880 [1,1,0,0,0,0|1,0,0]=3 525 B9R0.8 CCCCC(C(=O)OC)N TS48157 [1,1,0,0,0,0|1,0,0]=3 526 B9R0.8 CCCCC(C(C)CC)O TS07019 [1,1,0,0,0,0|1,0,1]=4 527 B9R0.8 CCCC[C@@H](C(=O)OC)N TS48152 [1,1,0,0,0,0|1,0,0]=3 528 B9R0.8 COC(=O)C(CCCBr)Br TS39897 [1,1,0,0,0,0|2,0,0]=4 529 B9R0.8 COC(=O)C(CCSC)N TS37822 [1,1,0,0,0,0|2,0,0]=4 530 B9R0.8 COC(=O)[C@@H](CCSC)N TS37817 [1,1,0,0,0,0|2,0,0]=4 531 B9R0.8 COC(=O)[C@H](CCCN)N TS49564 [1,1,0,0,0,0|2,0,0]=4 532 B9R0.8 COC(=O)[C@H](CCSC)N TS07678 [1,1,0,0,0,0|2,0,0]=4 533 B9R0.20 CCCCCC(C)(C)CC TS06785 [1,1,0,0,0,0|1,0,1]=4 534 B9R0.20 CCCCCC(C)(CC)Cl TS11638 [1,1,0,0,0,0|1,0,1]=4 535 B9R0.20 CCCCCC(C)(CC)O TS40235 [1,1,0,0,0,0|0,0,2]=4 536 B9R0.24 CCC(C)CCC(C)CC TS06791 [1,1,0,0,0,0|1,0,1]=4 537 B9R0.24 CCC(C)COC(=O)CC TS40204 [1,1,0,0,0,0|1,0,0]=3 538 B9R0.24 CC[C@@H](CC[C@H](CC)O)O TS07260 [1,1,0,0,0,0|0,0,2]=4 539 B9R0.24 CC[C@H](CC[C@@H](CC)O)O TS07245 [1,1,0,0,0,0|0,0,2]=4 540 B9R0.34 CCC(=O)CC(=O)OCC TS01475 [1,1,0,0,0,0|1,0,1]=4 541 B9R0.34 CCC(=O)OC(C)COC TS40422 [1,1,0,0,0,0|2,0,0]=4 542 B9R0.34 CCCC(=O)CC(=O)OC TS08578 [1,1,0,0,0,0|1,0,1]=4 543 B9R0.34 CCCC(C)CC(C)CC TS06787 [1,1,0,0,0,0|1,0,1]=4 544 B9R0.34 CCCC(CC(=O)OC)O TS40426 [1,1,0,0,0,0|1,0,0]=3 545 B9R0.47 CCCCCC(=C(C)C)C TS06522 [1,1,0,0,0,0|1,0,1]=4 546 B9R0.47 CCCCCC(=O)C(=O)C TS06710 [1,1,0,0,0,0|0,0,1]=3 547 B9R0.47 CCCCCC(=O)C(C)C TS37635 [1,1,0,0,0,0|0,0,0]=2 548 B9R0.47 CCCCCC(=O)N(C)C TS40099 [1,1,0,0,0,0|1,0,0]=3 549 B9R0.47 CCCCCC(C(C)C)O TS40248 [1,1,0,0,0,0|0,0,2]=4 550 B9R0.47 CCCCCC(C)C(C)C TS06796 [1,1,0,0,0,0|1,0,1]=4 551 B9R0.47 CCCCNC(=O)C(=C)C TS64944 [1,1,0,0,0,0|1,0,1]=4 552 B9R0.47 CCCCNC(=O)N(C)C TS06999 [1,1,0,0,0,0|2,0,0]=4 553 B9R0.47 CCCCOC(=O)C(=C)C TS37597 [1,1,0,0,0,0|1,0,1]=4 554 B9R0.47 CCCCOC(=O)C(=O)C TS06949 [1,1,0,0,0,0|1,0,1]=4 555 B9R0.47 CCCCOC(=O)C(C)Br TS20684 [1,1,0,0,0,0|1,0,0]=3 556 B9R0.47 CCCCOC(=O)C(C)C TS06989 [1,1,0,0,0,0|1,0,0]=3 557 B9R0.47 CCCCOC(=O)C(F)Cl TS44945 [1,1,0,0,0,0|2,0,0]=4 558 B9R0.47 CCCCOC(=O)C(F)F TS41099 [1,1,0,0,0,0|2,0,0]=4 559 B9R0.50 CCCCC=C(CC)CC TS06523 [1,1,0,0,0,0|1,0,1]=4 560 B9R0.50 CCCCCC(CC)CC TS06786 [1,1,0,0,0,0|1,0,1]=4 561 B9R0.50 CCN(CCCCO)N=O TS07237 [1,1,0,0,0,0|2,0,0]=4 562 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [1,1,0,0,0,0|0,0,1]=3 563 B9R0.4 CCCCC(C)CC(=O)O TS40195 [1,1,0,0,0,0|1,0,0]=3 564 B9R0.4 CCCCC(CC(=O)O)O TS40420 [1,1,0,0,0,0|1,0,0]=3 565 B9R0.4 CCCCC(CC(C)C)O TS40246 [1,1,0,0,0,0|1,0,1]=4 566 B9R0.4 CCCC[C@@H](C)CC(=O)O TS40197 [1,1,0,0,0,0|1,0,0]=3 567 B9R0.4 CCCC[C@H](C)CC(=O)O TS40208 [1,1,0,0,0,0|1,0,0]=3 568 B9R0.4 CCCOC(=O)CC(=O)C TS06950 [1,1,0,0,0,0|1,0,1]=4 569 B9R0.4 CCOCC(C)OC(=O)C TS40411 [1,1,0,0,0,0|2,0,0]=4 570 B9R0.4 CSCC[C@@H](CC(=O)O)N TS37818 [1,1,0,0,0,0|2,0,0]=4 571 B9R0.38 CCCCCCC(C)(C)Cl TS11639 [1,1,0,0,0,0|1,0,1]=4 572 B9R0.38 CCCCCCC(C)(C)O TS40249 [1,1,0,0,0,0|0,0,2]=4 573 B9R0.38 CCCCCCC(C)(C)S TS11319 [1,1,0,0,0,0|0,1,1]=4 574 B9R0.38 CCCCCCN(=O)(C)C TS40338 [1,1,0,0,0,0|1,0,0]=3 575 B9R0.38 CCCCCCP(=O)(Cl)Cl TS38379 [1,1,0,0,0,0|2,0,0]=4 576 B9R0.38 CCCCCCP(=O)(O)O TS43019 [1,1,0,0,0,0|2,0,0]=4 577 B9R0.38 CCCCCCS(=O)(=O)Cl TS64995 [1,1,0,0,0,0|2,0,0]=4 578 B9R0.38 CCCCCCS(=O)(=O)[O-] TS50731 [1,1,0,0,0,0|2,0,0]=4 579 B9R0.38 CCCCCC[Si](C)(C)Cl TS14315 [1,1,0,0,0,0|1,1,0]=4 580 B9R0.38 CCCCCC[Si](C)(Cl)Cl TS37716 [1,1,0,0,0,0|1,1,0]=4 581 B9R0.48 CCCC(=O)CCC(=O)C TS06705 [1,1,0,0,0,0|0,0,1]=3 582 B9R0.48 CCCC(C)CCC(=O)C TS37638 [1,1,0,0,0,0|0,0,0]=2 583 B9R0.48 CCCC(C)COC(=O)C TS40203 [1,1,0,0,0,0|1,0,0]=3 584 B9R0.48 CCOC(=O)CCC(=O)C TS60125 [1,1,0,0,0,0|1,0,1]=4 585 B9R0.55 CC(=O)CCCCC(=O)O TS06938 [1,1,0,0,0,0|1,0,1]=4 586 B9R0.55 CC(C)CCCCC(=O)O TS65177 [1,1,0,0,0,0|1,0,0]=3 587 B9R0.55 CC(C)CCCCC(C)C TS37668 [1,1,0,0,0,0|1,0,1]=4 588 B9R0.55 CC(C)COCCC(=O)C TS06991 [1,1,0,0,0,0|1,0,0]=3 589 B9R0.55 CC(C)OCCOC(=O)C TS40419 [1,1,0,0,0,0|2,0,0]=4 590 B9R0.55 CN(C)CCCCC(=O)O TS48163 [1,1,0,0,0,0|2,0,0]=4 591 B11R0.2 CCCCCCC(=O)CC(C)C TS45202 [0,2,0,0,0,0|0,0,0]=2 592 B11R0.2 CCCCCOC(=O)CC(=O)C TS13173 [0,2,0,0,0,0|1,0,0]=3 593 B11R0.2 CCCCCOC(=O)CC(C)C TS45521 [0,2,0,0,0,0|1,0,0]=3 594 B11R0.4 CCCC(=O)OCCC=CCC TS12852 [0,2,0,0,0,0|0,0,2]=4 595 B11R0.4 CCCC=CCCC(=O)OCC TS12853 [0,2,0,0,0,0|0,0,1]=3 596 B11R0.4 CCCC=CCOC(=O)CCC TS45154 [0,2,0,0,0,0|0,0,2]=4 597 B11R0.4 CCCCCC#CC(=O)OCC TS44904 [0,2,0,0,0,0|0,0,1]=3 598 B11R0.4 CCCCCC=CC(=O)OCC TS12851 [0,2,0,0,0,0|0,0,1]=3 599 B11R0.4 CCCCCCCC(=O)OCC TS45501 [0,2,0,0,0,0|0,0,0]=2 600 B11R0.4 CCCCCCCC(CCC)O TS45536 [0,2,0,0,0,0|0,0,2]=4 601 B11R0.4 CCCCCCOC(=O)CCC TS45526 [0,2,0,0,0,0|0,0,0]=2 602 B11R0.4 CCOC(=O)C=CCCCCCl TS51211 [0,2,0,0,0,0|0,0,2]=4 603 B11R0.4 CCOC(=O)CCCCCCBr TS26009 [0,2,0,0,0,0|0,0,0]=2 604 B11R0.4 CCOC(=O)CCCCCCN TS20825 [0,2,0,0,0,0|0,0,0]=2 605 B11R0.4 CCOC(=O)CCCCCCN TS45672 [0,2,0,0,0,0|0,0,0]=2 606 B11R0.5 CCCCC(=O)CC(=O)OCC TS13187 [0,2,0,0,0,0|0,0,1]=3 607 B11R0.5 CCOC(=O)CC(=O)CCOC TS59777 [0,2,0,0,0,0|1,0,1]=4 608 B11R0.62 CCOC(=O)CCC(=O)OCC TS45753 [0,2,0,0,0,0|1,0,1]=4 609 B11R0.81 CCCCCCC(=O)OCC=C TS12864 [0,2,0,0,0,0|0,0,1]=3 610 B11R0.81 CCCCCCC(=O)OCCC TS13224 [0,2,0,0,0,0|0,0,0]=2 611 B11R0.81 CCCCCCC(CCCC)O TS45543 [0,2,0,0,0,0|0,0,2]=4 612 B11R0.81 CCCCCOC(=O)CCCC TS45500 [0,2,0,0,0,0|1,0,0]=3 613 B11R0.142 CCCCCCC(C(=O)OC)Br TS26013 [0,2,0,0,0,0|1,0,0]=3 614 B11R0.142 CCCCCCC(C(C)CC)O TS45535 [0,2,0,0,0,0|0,0,2]=4 615 B11R0.142 CCCCCCC(C)C(=O)OC TS45513 [0,2,0,0,0,0|1,0,0]=3 616 B11R0.142 CCCCCOC(=O)C(C)CC TS45524 [0,2,0,0,0,0|1,0,0]=3 617 B11R0.142 CCCCCOC(=O)[C@H](CS)N TS24439 [0,2,0,0,0,0|1,0,0]=3 618 B11R0.142 CCCCNCC(C)C(=O)OC TS13375 [0,2,0,0,0,0|1,0,0]=3 619 B11R0.155 CCCCCC(C(=CCC)C)O TS12879 [0,2,0,0,0,0|1,0,0]=3 620 B11R0.155 CCCCCC(C(=O)OCC)Br TS26011 [0,2,0,0,0,0|0,0,0]=2 621 B11R0.155 CCOC(=O)C(CCCCN)N TS27583 [0,2,0,0,0,0|1,0,0]=3 622 B11R0.155 CCOC(=O)[C@H](CCCCN)N TS27582 [0,2,0,0,0,0|1,0,0]=3 623 B11R0.176 CCOC(=O)CCCCC(=O)O TS39880 [0,2,0,0,0,0|1,0,1]=4 624 B11R0.176 CCOC(=O)CCCOC(=O)C TS45771 [0,2,0,0,0,0|1,0,1]=4 625 B11R0.176 CCSC(=O)NCCCN(C)C TS52447 [0,2,0,0,0,0|2,0,0]=4 626 B11R0.304 CCCCCCS(=O)(=O)CC#N TS16228 [0,2,0,0,0,0|1,0,1]=4 627 B11R0.154 CCCCCC(CC(=O)OC)O TS45807 [0,2,0,0,0,0|1,0,0]=3 628 B11R0.106 COC(=O)CCCCC(=O)OC TS39849 [0,2,0,0,0,0|1,0,1]=4 629 B11R0.106 COC(=O)CCCCC(=O)OC TS82950 [0,2,0,0,0,0|1,0,1]=4 630 B11R0.40 CCCCCC=CCC(=O)OC TS12844 [0,2,0,0,0,0|1,0,0]=3 631 B11R0.40 CCCCCCC#CC(=O)OC TS12565 [0,2,0,0,0,0|1,0,0]=3 632 B11R0.40 CCCCCCC=CC(=O)OC TS45171 [0,2,0,0,0,0|1,0,0]=3 633 B11R0.40 CCCCCCCCC(=O)CC TS12886 [0,2,0,0,0,0|0,0,0]=2 634 B11R0.40 CCCCCCCCC(=O)OC TS45510 [0,2,0,0,0,0|1,0,0]=3 635 B11R0.40 CCCCCCCCC(CC)O TS45539 [0,2,0,0,0,0|0,0,2]=4 636 B11R0.40 CCCCNCCNC(C)CC TS45552 [0,2,0,0,0,0|1,0,1]=4 637 B11R0.40 CCCCOCCOC(=O)C=C TS13179 [0,2,0,0,0,0|0,0,2]=4 638 B11R0.42 CCC=CCCOC(=O)C(C)C TS45172 [0,2,0,0,0,0|0,0,2]=4 639 B11R0.42 CCC=CCCOC(=O)C(C)O TS13178 [0,2,0,0,0,0|0,0,2]=4 640 B11R0.42 CCCCCCCC(=O)N(C)C TS13053 [0,2,0,0,0,0|1,0,0]=3 641 B11R0.42 CCCCCCCC(C(C)C)O TS45538 [0,2,0,0,0,0|0,0,2]=4 642 B11R0.42 CCCCCCCC(C)C(C)C TS45212 [0,2,0,0,0,0|1,0,1]=4 643 B11R0.42 CCCCCCOC(=O)C(=C)C TS12846 [0,2,0,0,0,0|0,0,1]=3 644 B11R0.42 CCCCCCOC(=O)C(C)C TS45507 [0,2,0,0,0,0|0,0,0]=2 645 B11R0.111 CC(C)CCCCCC(=O)OC TS13223 [0,2,0,0,0,0|1,0,0]=3 646 B9R1.8 C1CCC(CC1)CCBr TS17234 [1,0,0,1,0,0|1,0,1]=4 647 B9R1.8 C1CCC(CC1)CCN TS11778 [1,0,0,1,0,0|1,0,1]=4 648 B9R1.8 C1CCC(CC1)CCN TS36254 [1,0,0,1,0,0|1,0,1]=4 649 B9R1.8 C1CNCCC1CCO TS71281 [1,0,0,1,0,0|2,0,0]=4 650 B9R1.8 C1COCCC1CCBr TS70729 [1,0,0,1,0,0|2,0,0]=4 651 B9R1.8 C1COCCC1CCN TS09523 [1,0,0,1,0,0|2,0,0]=4 652 B9R1.8 C1COCCC1CCN TS12114 [1,0,0,1,0,0|2,0,0]=4 653 B9R1.8 C1COCCC1CCO TS60058 [1,0,0,1,0,0|2,0,0]=4 654 B9R1.8 C=C=CC1CCCCC1 TS32530 [1,0,0,1,0,0|0,0,2]=4 655 B9R1.8 CC#CC1CCCCC1 TS04925 [1,0,0,1,0,0|0,0,2]=4 656 B9R1.8 CCCC1CCCCC1 TS36184 [1,0,0,1,0,0|0,0,1]=3 657 B9R1.8 CCCC1CCCCN1 TS02180 [1,0,0,1,0,0|1,0,1]=4 658 B9R1.8 CCCC1CCCCN1 TS11779 [1,0,0,1,0,0|1,0,1]=4 659 B9R1.8 CCCC1CCCCO1 TS05388 [1,0,0,1,0,0|1,0,1]=4 660 B9R1.8 CCCC1CCNCC1 TS11777 [1,0,0,1,0,0|1,0,0]=3 661 B9R1.8 CCCC1CCNCC1 TS36258 [1,0,0,1,0,0|1,0,0]=3 662 B9R1.8 CCCN1CCNCC1 TS59318 [1,0,0,1,0,0|2,0,0]=4 663 B9R1.8 CCNC1CCCCC1 TS36260 [1,0,0,1,0,0|1,0,0]=3 664 B9R1.8 CCNC1CCOCC1 TS05478 [1,0,0,1,0,0|2,0,0]=4 665 B9R1.8 CCOC1CCNCC1 TS12113 [1,0,0,1,0,0|2,0,0]=4 666 B9R1.8 CCOC1CCNCC1 TS16668 [1,0,0,1,0,0|2,0,0]=4 667 B9R1.8 CNCC1CCNCC1 TS36354 [1,0,0,1,0,0|2,0,0]=4 668 B9R1.8 CNCC1CCOCC1 TS60138 [1,0,0,1,0,0|2,0,0]=4 669 B9R1.8 COCC1CCNCC1 TS05477 [1,0,0,1,0,0|2,0,0]=4 670 B9R1.8 COCC1CCNCC1 TS87684 [1,0,0,1,0,0|2,0,0]=4 671 B9R1.12 CCC=CC1CCCC1 TS05058 [1,0,0,1,0,0|0,0,1]=3 672 B9R1.12 CCCCC1CCCC1 TS36178 [1,0,0,1,0,0|0,0,1]=3 673 B9R1.12 CCCCC1CCCC1 TS61460 [1,0,0,1,0,0|0,0,1]=3 674 B9R1.12 CCCCC1CCCC1 TS66426 [1,0,0,1,0,0|0,0,1]=3 675 B9R1.12 CCCCC1CCCC1 TS71915 [1,0,0,1,0,0|0,0,1]=3 676 B9R1.12 CCCCC1CCCC1 TS81233 [1,0,0,1,0,0|0,0,1]=3 677 B9R1.12 CCCCC1CCCC1 TS81832 [1,0,0,1,0,0|0,0,1]=3 678 B9R1.12 CCCCC1CCCC1 TS83585 [1,0,0,1,0,0|0,0,1]=3 679 B9R1.12 CCCCN1CCCC1 TS00426 [1,0,0,1,0,0|1,0,1]=4 680 B9R1.12 CCOCC1CCCO1 TS36503 [1,0,0,1,0,0|2,0,0]=4 681 B9R1.14 CCN1CCCC1CN TS87964 [1,0,0,1,0,0|2,0,0]=4 682 B9R1.14 CCN1CCC[C@@H]1CN TS46580 [1,0,0,1,0,0|2,0,0]=4 683 B9R1.14 CC[C@@H]1CCC[C@H]1CC TS05207 [1,0,0,1,0,0|0,0,1]=3 684 B9R1.15 CC[C@@H]1CCCC[C@@H]1C TS05230 [1,0,0,1,0,0|0,0,1]=3 685 B9R1.15 CC[C@@H]1CCCC[C@H]1C TS05214 [1,0,0,1,0,0|0,0,1]=3 686 B9R1.50 C1CCCC(CCC1)Br TS17235 [1,0,0,1,0,0|1,0,1]=4 687 B9R1.50 CC1=CCCCCCC1 TS05043 [1,0,0,1,0,0|0,0,1]=3 688 B9R1.50 CC1CCCCCC=C1 TS05055 [1,0,0,1,0,0|0,0,1]=3 689 B9R1.50 CC1CCCCCCC1 TS05222 [1,0,0,1,0,0|0,0,1]=3 690 B9R1.83 CCCCCCC1CO1 TS05397 [1,0,0,1,0,0|1,0,1]=4 691 B9R1.83 CCCCCC[C@@H]1CO1 TS05392 [1,0,0,1,0,0|1,0,1]=4 692 B9R1.89 C1CCCC(=NO)CC1 TS05273 [1,0,0,1,0,0|2,0,0]=4 693 B9R1.89 C1CCCC(CC1)CI TS26149 [1,0,0,1,0,0|1,0,1]=4 694 B9R1.89 C1CCCC(CC1)CN TS01403 [1,0,0,1,0,0|1,0,1]=4 695 B9R1.89 C1CCCC(CC1)CO TS05384 [1,0,0,1,0,0|1,0,1]=4 696 B9R1.89 CC=C1CCCCCC1 TS05056 [1,0,0,1,0,0|0,0,1]=3 697 B9R1.89 COC1=NCCCCC1 TS36236 [1,0,0,1,0,0|2,0,0]=4 698 B9R1.89 COC1CCCNCC1 TS87163 [1,0,0,1,0,0|2,0,0]=4 699 B9R1.1 C1CC(=O)CCC1C=O TS29491 [1,0,0,1,0,0|1,0,1]=4 700 B9R1.1 C=C1CCC(CC1)CO TS05200 [1,0,0,1,0,0|2,0,0]=4 701 B9R1.1 CCC1CCC(=O)CC1 TS71106 [1,0,0,1,0,0|0,0,0]=2 702 B9R1.1 CCC1CCC(CC1)C TS05205 [1,0,0,1,0,0|1,0,1]=4 703 B9R1.1 CCC1CCC(CC1)N TS36256 [1,0,0,1,0,0|1,0,1]=4 704 B9R1.1 CCC1CCC(CC1)O TS36345 [1,0,0,1,0,0|0,0,2]=4 705 B9R1.1 CCN1CCC(=O)CC1 TS00437 [1,0,0,1,0,0|1,0,0]=3 706 B9R1.1 CC[C@H]1CC[C@@H](CC1)C TS05211 [1,0,0,1,0,0|1,0,1]=4 707 B9R1.1 CC[C@H]1CC[C@@H](CC1)N TS36255 [1,0,0,1,0,0|1,0,1]=4 708 B9R1.1 CC[C@H]1CC[C@@H](CC1)O TS05390 [1,0,0,1,0,0|0,0,2]=4 709 B9R1.1 CC[C@H]1CC[C@H](CC1)C TS05225 [1,0,0,1,0,0|1,0,1]=4 710 B9R1.1 CC[C@H]1CC[C@H](CC1)O TS36326 [1,0,0,1,0,0|0,0,2]=4 711 B9R1.1 COC1CCC(=O)CC1 TS05347 [1,0,0,1,0,0|1,0,0]=3 712 B9R1.2 CCC1CCCC(C1)C TS36177 [1,0,0,1,0,0|1,0,1]=4 713 B9R1.2 CC[C@H]1CCC[C@H](C1)C TS05224 [1,0,0,1,0,0|1,0,1]=4 714 B9R1.3 CC1C(=O)CCCC1=O TS05155 [1,0,0,1,0,0|1,0,1]=4 715 B9R1.3 CC1CCCC(=O)C1=O TS05153 [1,0,0,1,0,0|1,0,1]=4 716 B9R1.3 CC1CCCC(C1C)C TS05217 [1,0,0,1,0,0|1,0,1]=4 717 B9R1.7 CCCC1CCC(=O)O1 TS36311 [1,0,0,1,0,0|1,0,0]=3 718 B9R1.11 C1CCN(C1)C(=O)CCl TS08382 [1,0,0,1,0,0|2,0,0]=4 719 B9R1.11 C1CCN(C1)C(=O)CN TS11965 [1,0,0,1,0,0|2,0,0]=4 720 B9R1.11 CNC(=O)[C@@H]1CCCN1 TS11964 [1,0,0,1,0,0|2,0,0]=4 721 B9R1.11 COC(=O)C1CCCC1 TS05351 [1,0,0,1,0,0|1,0,0]=3 722 B9R1.11 COC(=O)C1CCCN1 TS42981 [1,0,0,1,0,0|2,0,0]=4 723 B9R1.11 COC(=O)C1CCCO1 TS02300 [1,0,0,1,0,0|2,0,0]=4 724 B9R1.11 COC(=O)C1CCNC1 TS88210 [1,0,0,1,0,0|2,0,0]=4 725 B9R1.11 COC(=O)C1CCOC1 TS86607 [1,0,0,1,0,0|2,0,0]=4 726 B9R1.11 COC(=O)N1CCCC1 TS36396 [1,0,0,1,0,0|2,0,0]=4 727 B9R1.11 COC(=O)[C@@H]1CCCN1 TS42969 [1,0,0,1,0,0|2,0,0]=4 728 B9R1.11 COC(=O)[C@@H]1CCNC1 TS89012 [1,0,0,1,0,0|2,0,0]=4 729 B9R1.11 COC(=O)[C@@H]1CCOC1 TS88346 [1,0,0,1,0,0|2,0,0]=4 730 B9R1.11 COC(=O)[C@H]1CCCN1 TS42971 [1,0,0,1,0,0|2,0,0]=4 731 B9R1.11 COC(=O)[C@H]1CCNC1 TS89015 [1,0,0,1,0,0|2,0,0]=4 732 B9R1.11 COC(=O)[C@H]1CCOC1 TS88345 [1,0,0,1,0,0|2,0,0]=4 733 B9R1.21 CCC1CCC(O1)CC TS36341 [1,0,0,1,0,0|0,0,2]=4 734 B9R1.49 CN1CCC(=O)NCC1 TS05363 [1,0,0,1,0,0|2,0,0]=4 735 B9R1.79 C1CC(C1)NC(=O)CN TS08961 [1,0,0,1,0,0|2,0,0]=4 736 B9R1.79 COC(=O)CC1CCC1 TS36295 [1,0,0,1,0,0|1,0,0]=3 737 B9R1.79 COC(=O)CC1CNC1 TS91760 [1,0,0,1,0,0|2,0,0]=4 738 B9R1.79 COC(=O)CC1COC1 TS85849 [1,0,0,1,0,0|2,0,0]=4 739 B9R1.118 CCC1(CCCCC1)C TS05220 [1,0,0,1,0,0|1,0,1]=4 740 B9R1.118 CCC1(CCCCC1)O TS77179 [1,0,0,1,0,0|0,0,2]=4 741 B9R1.6 C1CC(CNC1)C(=O)N TS05362 [1,0,0,1,0,0|2,0,0]=4 742 B9R1.6 C1CC(CNC1)C(=O)N TS11963 [1,0,0,1,0,0|2,0,0]=4 743 B9R1.6 C1CC(CNC1)C(=O)O TS05456 [1,0,0,1,0,0|2,0,0]=4 744 B9R1.6 C1CC(CNC1)C(=O)O TS94707 [1,0,0,1,0,0|2,0,0]=4 745 B9R1.6 C1CC(COC1)C(=O)O TS02098 [1,0,0,1,0,0|2,0,0]=4 746 B9R1.6 C1CC(CSC1)C(=O)O TS91315 [1,0,0,1,0,0|2,0,0]=4 747 B9R1.6 C1CCC(CC1)C(=O)Cl TS07288 [1,0,0,1,0,0|1,0,0]=3 748 B9R1.6 C1CCC(CC1)C(=O)N TS00205 [1,0,0,1,0,0|1,0,0]=3 749 B9R1.6 C1CCC(CC1)C(=O)[O-] TS40838 [1,0,0,1,0,0|1,0,0]=3 750 B9R1.6 C1CCC(CC1)[N+](=O)[O-] TS56408 [1,0,0,1,0,0|2,0,0]=4 751 B9R1.6 C1CCN(CC1)C(=O)Cl TS07390 [1,0,0,1,0,0|2,0,0]=4 752 B9R1.6 C1CCN(CC1)C(=O)O TS05459 [1,0,0,1,0,0|2,0,0]=4 753 B9R1.6 C1CCNC(C1)C(=O)N TS59354 [1,0,0,1,0,0|2,0,0]=4 754 B9R1.6 C1CCNC(C1)C(=O)O TS02458 [1,0,0,1,0,0|2,0,0]=4 755 B9R1.6 C1CCNC(C1)C(=O)O TS42975 [1,0,0,1,0,0|2,0,0]=4 756 B9R1.6 C1CCNC(C1)C(=O)O TS94706 [1,0,0,1,0,0|2,0,0]=4 757 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS56211 [1,0,0,1,0,0|2,0,0]=4 758 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS94954 [1,0,0,1,0,0|2,0,0]=4 759 B9R1.6 C1CCN[C@H](C1)C(=O)O TS01764 [1,0,0,1,0,0|2,0,0]=4 760 B9R1.6 C1CCN[C@H](C1)C(=O)O TS94583 [1,0,0,1,0,0|2,0,0]=4 761 B9R1.6 C1CCOC(C1)C(=O)O TS05536 [1,0,0,1,0,0|2,0,0]=4 762 B9R1.6 C1CNCCC1C(=O)N TS59356 [1,0,0,1,0,0|2,0,0]=4 763 B9R1.6 C1CNCCC1C(=O)O TS42979 [1,0,0,1,0,0|2,0,0]=4 764 B9R1.6 C1CNCCC1C(=O)O TS71280 [1,0,0,1,0,0|2,0,0]=4 765 B9R1.6 C1COCCC1C(=O)Cl TS59428 [1,0,0,1,0,0|2,0,0]=4 766 B9R1.6 C1COCCC1C(=O)O TS05526 [1,0,0,1,0,0|2,0,0]=4 767 B9R1.6 C1CSCCC1C(=O)O TS89293 [1,0,0,1,0,0|2,0,0]=4 768 B9R1.6 C1C[C@@H](CNC1)C(=O)N TS85892 [1,0,0,1,0,0|2,0,0]=4 769 B9R1.6 C1C[C@@H](CNC1)C(=O)N TS90971 [1,0,0,1,0,0|2,0,0]=4 770 B9R1.6 C1C[C@@H](CNC1)C(=O)O TS46667 [1,0,0,1,0,0|2,0,0]=4 771 B9R1.6 C1C[C@H](CNC1)C(=O)N TS89106 [1,0,0,1,0,0|2,0,0]=4 772 B9R1.6 C1C[C@H](CNC1)C(=O)N TS90970 [1,0,0,1,0,0|2,0,0]=4 773 B9R1.6 C1C[C@H](CNC1)C(=O)O TS00308 [1,0,0,1,0,0|2,0,0]=4 774 B9R1.6 C1C[C@H](CNC1)C(=O)O TS59489 [1,0,0,1,0,0|2,0,0]=4 775 B9R1.6 CC(=O)C1=CCCCC1 TS36007 [1,0,0,1,0,0|0,0,2]=4 776 B9R1.6 CC(=O)C1CCCCC1 TS05176 [1,0,0,1,0,0|0,0,0]=2 777 B9R1.6 CC(=O)C1CCCCN1 TS59502 [1,0,0,1,0,0|1,0,0]=3 778 B9R1.6 CC(=O)N1CCCCC1 TS05281 [1,0,0,1,0,0|1,0,0]=3 779 B9R1.6 CC(=O)N1CCNCC1 TS46837 [1,0,0,1,0,0|2,0,0]=4 780 B9R1.6 CC(=O)N1CCOCC1 TS05453 [1,0,0,1,0,0|2,0,0]=4 781 B9R1.6 CC(C1CCCCC1)O TS36346 [1,0,0,1,0,0|0,0,2]=4 782 B9R1.6 CN(C)C1CCCCC1 TS36253 [1,0,0,1,0,0|2,0,0]=4 783 B9R1.6 C[C@@H](C1CCCCC1)N TS36257 [1,0,0,1,0,0|1,0,1]=4 784 B9R1.6 C[C@H](C1CCCCC1)N TS36259 [1,0,0,1,0,0|1,0,1]=4 785 B9R1.6 C[SiH](C)C1CCCCC1 TS37674 [1,0,0,1,0,0|1,1,0]=4 786 B9R1.13 C1CCC(C1)CC(=O)Cl TS07289 [1,0,0,1,0,0|1,0,0]=3 787 B9R1.13 C1CCC(C1)CC(=O)O TS27085 [1,0,0,1,0,0|1,0,0]=3 788 B9R1.13 C1CCC(C1)OC(=O)Cl TS16795 [1,0,0,1,0,0|2,0,0]=4 789 B9R1.13 C1CNCC1CC(=O)O TS86561 [1,0,0,1,0,0|2,0,0]=4 790 B9R1.13 C1CNC[C@@H]1CC(=O)O TS91621 [1,0,0,1,0,0|2,0,0]=4 791 B9R1.13 C1CNC[C@H]1CC(=O)O TS88661 [1,0,0,1,0,0|2,0,0]=4 792 B9R1.13 C1C[C@@H](NC1)CC(=O)O TS91258 [1,0,0,1,0,0|2,0,0]=4 793 B9R1.13 C1C[C@H](NC1)CC(=O)O TS36411 [1,0,0,1,0,0|2,0,0]=4 794 B9R1.13 CC(=O)CC1CCC=C1 TS36006 [1,0,0,1,0,0|0,0,2]=4 795 B9R1.13 CC(=O)CC1CCCC1 TS05185 [1,0,0,1,0,0|0,0,0]=2 796 B9R1.13 CC(=O)NC1CCNC1 TS05364 [1,0,0,1,0,0|2,0,0]=4 797 B9R1.13 CC(=O)N[C@@H]1CCNC1 TS85520 [1,0,0,1,0,0|2,0,0]=4 798 B9R1.13 CC(C)CC1CCCC1 TS05219 [1,0,0,1,0,0|1,0,1]=4 799 B9R1.13 CC(C)CC1CCCC1 TS81235 [1,0,0,1,0,0|1,0,1]=4 800 B9R1.13 CN(C)CC1CCCC1 TS26984 [1,0,0,1,0,0|2,0,0]=4 801 B9R1.40 CC1CCCCC1(C)C TS05231 [1,0,0,1,0,0|1,0,1]=4 802 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O TS36408 [1,0,0,1,0,0|2,0,0]=4 803 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O TS85102 [1,0,0,1,0,0|2,0,0]=4 804 B9R1.41 C1C[C@H]([C@H](C1)O)C(=O)N TS36404 [1,0,0,1,0,0|2,0,0]=4 805 B9R1.41 CC(=O)C1CCCC1=O TS36123 [1,0,0,1,0,0|1,0,1]=4 806 B9R1.41 CN1CCC[C@H]1C(=O)O TS01601 [1,0,0,1,0,0|2,0,0]=4 807 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O TS46518 [1,0,0,1,0,0|2,0,0]=4 808 B9R1.48 C1CCC(=O)CC(=O)C1 TS36124 [1,0,0,1,0,0|1,0,1]=4 809 B9R1.48 CC1CC(=O)NCCN1 TS86852 [1,0,0,1,0,0|2,0,0]=4 810 B9R1.84 C1CC(C1)CC[N+](=O)[O-] TS36397 [1,0,0,1,0,0|2,0,0]=4 811 B9R1.148 CC1(CCCCCC1)O TS05376 [1,0,0,1,0,0|0,0,2]=4 812 B11R1.4 CCCCCCC1OCCO1 TS41943 [0,1,0,1,0,0|0,0,2]=4 813 B11R1.16 C1CCN(CC1)C(=O)CC#N TS10197 [0,1,0,1,0,0|1,0,1]=4 814 B11R1.16 C1CCN(CC1)C(=O)CON TS51942 [0,1,0,1,0,0|2,0,0]=4 815 B11R1.16 C1COCCC1C(=O)CC#N TS87559 [0,1,0,1,0,0|1,0,1]=4 816 B11R1.16 C1COCCN1C(=O)CCN TS17971 [0,1,0,1,0,0|2,0,0]=4 817 B11R1.16 CCCC(=O)C1CCCCC1 TS41427 [0,1,0,1,0,0|0,0,0]=2 818 B11R1.16 CCCC(=O)N1CCOCC1 TS41791 [0,1,0,1,0,0|2,0,0]=4 819 B11R1.16 CCCC(C1CCCCC1)O TS10752 [0,1,0,1,0,0|0,0,2]=4 820 B11R1.16 CCNC(=O)C1CCNCC1 TS41670 [0,1,0,1,0,0|1,0,0]=3 821 B11R1.16 CCOC(=O)C1CCCCC1 TS10722 [0,1,0,1,0,0|0,0,0]=2 822 B11R1.16 CCOC(=O)C1CCCCN1 TS17743 [0,1,0,1,0,0|1,0,0]=3 823 B11R1.16 CCOC(=O)C1CCCCN1 TS56155 [0,1,0,1,0,0|1,0,0]=3 824 B11R1.16 CCOC(=O)C1CCCCN1 TS94703 [0,1,0,1,0,0|1,0,0]=3 825 B11R1.16 CCOC(=O)C1CCCNC1 TS17751 [0,1,0,1,0,0|1,0,0]=3 826 B11R1.16 CCOC(=O)C1CCCNC1 TS41786 [0,1,0,1,0,0|1,0,0]=3 827 B11R1.16 CCOC(=O)C1CCNCC1 TS01461 [0,1,0,1,0,0|1,0,0]=3 828 B11R1.16 CCOC(=O)C1CCNCC1 TS17749 [0,1,0,1,0,0|1,0,0]=3 829 B11R1.16 CCOC(=O)C1CCOCC1 TS10980 [0,1,0,1,0,0|1,0,0]=3 830 B11R1.16 CCOC(=O)C1CNCCN1 TS10995 [0,1,0,1,0,0|2,0,0]=4 831 B11R1.16 CCOC(=O)C1COCCN1 TS18143 [0,1,0,1,0,0|2,0,0]=4 832 B11R1.16 CCOC(=O)C1CSCCN1 TS13734 [0,1,0,1,0,0|2,0,0]=4 833 B11R1.16 CCOC(=O)C1CSCCN1 TS44084 [0,1,0,1,0,0|2,0,0]=4 834 B11R1.16 CCOC(=O)C1SCCCS1 TS51543 [0,1,0,1,0,0|2,0,0]=4 835 B11R1.16 CCOC(=O)N1CCCCC1 TS41794 [0,1,0,1,0,0|1,0,0]=3 836 B11R1.16 CCOC(=O)N1CCNCC1 TS01471 [0,1,0,1,0,0|2,0,0]=4 837 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 TS08479 [0,1,0,1,0,0|1,0,0]=3 838 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 TS08480 [0,1,0,1,0,0|1,0,0]=3 839 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 TS46616 [0,1,0,1,0,0|1,0,0]=3 840 B11R1.16 CCOC(=O)[C@@H]1COCCN1 TS18142 [0,1,0,1,0,0|2,0,0]=4 841 B11R1.16 CCOC(=O)[C@H]1CCCNC1 TS60656 [0,1,0,1,0,0|1,0,0]=3 842 B11R1.16 CCOC(=O)[C@H]1CCCNC1 TS89157 [0,1,0,1,0,0|1,0,0]=3 843 B11R1.16 CNCC(=O)N1CCCCC1 TS51576 [0,1,0,1,0,0|1,0,0]=3 844 B11R1.24 CCCCC1CCCC(=O)O1 TS10721 [0,1,0,1,0,0|1,0,0]=3 845 B11R1.30 CCOC(=O)CC1CCCO1 TS10985 [0,1,0,1,0,0|1,0,0]=3 846 B11R1.30 CCOC(=O)CC1CCNC1 TS85941 [0,1,0,1,0,0|1,0,0]=3 847 B11R1.30 CCOC(=O)CN1CCCC1 TS10877 [0,1,0,1,0,0|1,0,0]=3 848 B11R1.101 C1CCCCC(=O)CCCC1 TS59759 [0,1,0,1,0,0|0,0,0]=2 849 B11R1.101 C1CCCCC(CCCC1)O TS10745 [0,1,0,1,0,0|0,0,2]=4 850 B11R1.117 C1CCCC(CCC1)CCN TS41546 [0,1,0,1,0,0|1,0,1]=4 851 B11R1.180 CCCCCC1=CCCC1=O TS41181 [0,1,0,1,0,0|0,0,1]=3 852 B11R1.180 CCCCCC1CCCC1=O TS41436 [0,1,0,1,0,0|0,0,0]=2 853 B11R1.180 CCCCCN1CCCC1=O TS10609 [0,1,0,1,0,0|1,0,0]=3 854 B11R1.180 COCCCN1CCCC1=O TS41789 [0,1,0,1,0,0|2,0,0]=4 855 B11R1.199 CCOC(=O)C1CCCC1=O TS08497 [0,1,0,1,0,0|1,0,1]=4 856 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O TS10982 [0,1,0,1,0,0|1,0,0]=3 857 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O TS41900 [0,1,0,1,0,0|1,0,0]=3 858 B11R1.230 CCCCC1C(CC(=O)O1)C TS41641 [0,1,0,1,0,0|1,0,0]=3 859 B11R1.230 CCCCC1CC(=O)OC1=O TS10680 [0,1,0,1,0,0|1,0,1]=4 860 B11R1.40 C1CCC(CC1)C=C(CO)Br TS22544 [0,1,0,1,0,0|2,0,0]=4 861 B11R1.40 C1CCC(CC1)NC(=O)CCl TS46019 [0,1,0,1,0,0|1,0,0]=3 862 B11R1.40 C1CCC(CC1)NC(=O)CN TS39645 [0,1,0,1,0,0|1,0,0]=3 863 B11R1.40 C1CCC(CC1)NC(=O)CN TS41668 [0,1,0,1,0,0|1,0,0]=3 864 B11R1.40 C1CCC(CC1)NC(=O)NN TS10884 [0,1,0,1,0,0|2,0,0]=4 865 B11R1.40 C1CCC(CC1)OC(=O)CCl TS46197 [0,1,0,1,0,0|1,0,0]=3 866 B11R1.40 C=CC(=O)NC1CCCCC1 TS41301 [0,1,0,1,0,0|0,0,2]=4 867 B11R1.40 C=CC(=O)OC1CCCCC1 TS41402 [0,1,0,1,0,0|0,0,2]=4 868 B11R1.40 CCC(=O)OC1CCCCC1 TS41643 [0,1,0,1,0,0|0,0,0]=2 869 B11R1.40 CCC(=O)OC1CCNCC1 TS17748 [0,1,0,1,0,0|1,0,0]=3 870 B11R1.40 CCC(C)CC1CCCCC1 TS10510 [0,1,0,1,0,0|1,0,1]=4 871 B11R1.40 COC(=O)CC1CCNCC1 TS16617 [0,1,0,1,0,0|1,0,0]=3 872 B11R1.40 COC(=O)CC1CCNCC1 TS17744 [0,1,0,1,0,0|1,0,0]=3 873 B11R1.40 COC(=O)CC1CNCCN1 TS53129 [0,1,0,1,0,0|2,0,0]=4 874 B11R1.40 COC(=O)CC1CNCCO1 TS42031 [0,1,0,1,0,0|2,0,0]=4 875 B11R1.40 COC(=O)CC1COCCN1 TS42032 [0,1,0,1,0,0|2,0,0]=4 876 B11R1.40 COC(=O)CN1CCOCC1 TS42034 [0,1,0,1,0,0|2,0,0]=4 877 B11R1.196 COC(=O)CC(=O)C1CCC1 TS86752 [0,1,0,1,0,0|1,0,1]=4 878 B11R1.222 CN1CCCCC1C(=O)OC TS41788 [0,1,0,1,0,0|1,0,0]=3 879 B11R1.222 COC(=O)C1CCCCC1=O TS10671 [0,1,0,1,0,0|1,0,1]=4 880 B11R1.222 C[C@H]1[C@@H](CCCN1)C(=O)OC TS10875 [0,1,0,1,0,0|1,0,0]=3 881 B11R1.222 C[C@H]1[C@H](CCCN1)C(=O)OC TS10864 [0,1,0,1,0,0|1,0,0]=3 882 B11R1.12 CCN(CC)C1CCCCC1 TS41541 [0,1,0,1,0,0|2,0,0]=4 883 B11R1.83 C1CN(CCC1CCO)C=O TS10859 [0,1,0,1,0,0|2,0,0]=4 884 B11R1.381 CCN1CCCC[C@@H](C1=O)N TS10733 [0,1,0,1,0,0|2,0,0]=4 885 B11R1.20 CC(=O)NC1CCC(=O)CC1 TS08597 [0,1,0,1,0,0|1,0,1]=4 886 B11R1.20 CC(=O)OC1CCC(=O)CC1 TS10679 [0,1,0,1,0,0|1,0,1]=4 887 B11R1.20 CC(C)CN1CCC(=O)CC1 TS10603 [0,1,0,1,0,0|1,0,0]=3 888 B11R1.23 CN1CCCC(C1)C(=O)OC TS01551 [0,1,0,1,0,0|2,0,0]=4 889 B11R1.23 C[C@@H]1C[C@@H](CCN1)C(=O)OC TS92214 [0,1,0,1,0,0|2,0,0]=4 890 B11R1.565 CC(=O)N1CCCC(=O)CC1 TS41524 [0,1,0,1,0,0|1,0,1]=4 891 B11R1.22 CCC(C)N1CCC(=O)CC1 TS10601 [0,1,0,1,0,0|1,0,0]=3 892 B11R1.22 CN1CCC(CC1)C(=O)OC TS01552 [0,1,0,1,0,0|2,0,0]=4 893 B11R1.22 COC(=O)C1CCC(=O)CC1 TS77152 [0,1,0,1,0,0|1,0,1]=4 894 B11R1.22 COC(=O)C1CCC(CC1)O TS16568 [0,1,0,1,0,0|1,0,0]=3 895 B11R1.22 COC(=O)C1CCC(CC1)O TS37906 [0,1,0,1,0,0|1,0,0]=3 896 B11R1.22 COC(=O)[C@H]1CC[C@@H](CC1)N TS87375 [0,1,0,1,0,0|1,0,0]=3 897 B11R1.22 COC(=O)[C@H]1CC[C@H](CC1)N TS90757 [0,1,0,1,0,0|1,0,0]=3 898 B11R1.22 COC(=O)[C@H]1CC[C@H](CN1)O TS86470 [0,1,0,1,0,0|2,0,0]=4 899 B11R1.22 C[C@@H]1CC[C@@H](CN1)C(=O)OC TS91789 [0,1,0,1,0,0|2,0,0]=4 900 B11R1.7 CCC(C)(C)C1CCCCC1 TS10511 [0,1,0,1,0,0|1,0,1]=4 901 B11R1.82 C1CS(=O)(=O)CCC1CCN TS90951 [0,1,0,1,0,0|2,0,0]=4 902 B11R1.1 CCCCC1CCC(=O)CC1 TS10476 [0,1,0,1,0,0|0,0,0]=2 903 B11R1.1 CCCCC1CCC(CC1)O TS41689 [0,1,0,1,0,0|0,0,2]=4 904 B11R1.1 CCCCN1CCC(=O)CC1 TS10602 [0,1,0,1,0,0|0,0,0]=2 905 B11R1.25 C1CC(OC1)CNC(=O)CCl TS14100 [0,1,0,1,0,0|2,0,0]=4 906 B11R1.25 CCC(=O)OCC1CCCO1 TS41888 [0,1,0,1,0,0|1,0,0]=3 907 B11R1.54 CCC1CCCCC1(CC)O TS10758 [0,1,0,1,0,0|0,0,2]=4 908 B11R1.59 CCN1CCCC1C(=O)NC TS41666 [0,1,0,1,0,0|1,0,0]=3 909 B11R1.59 CCN1CCCC1C(=O)OC TS41796 [0,1,0,1,0,0|1,0,0]=3 910 B11R1.852 C1CCCN(CC1)C(=O)CCl TS46021 [0,1,0,1,0,0|1,0,0]=3 911 B11R1.852 COC(=O)C1CCCNCC1 TS90179 [0,1,0,1,0,0|1,0,0]=3 912 B11R1.35 CC(=C)C(=O)OC1CCCC1 TS10448 [0,1,0,1,0,0|1,0,1]=4 913 B11R1.36 CC(C)C(=O)N1CCNCC1 TS10731 [0,1,0,1,0,0|2,0,0]=4 914 B11R1.36 CN(C)C(=O)C1CCCCC1 TS10608 [0,1,0,1,0,0|1,0,0]=3 915 B11R1.36 CN(C)C(=O)C1CCCNC1 TS51577 [0,1,0,1,0,0|2,0,0]=4 916 B11R1.36 CN(C)C(=O)[C@H]1CCCNC1 TS00325 [0,1,0,1,0,0|2,0,0]=4 917 B11R1.706 CC(=C1CCCCCCC1)C TS41203 [0,1,0,1,0,0|1,0,1]=4 918 B11R1.31 COC(=O)[C@H](C1CCCC1)N TS17750 [0,1,0,1,0,0|1,0,0]=3 919 B11R1.878 CC1(CCCNC1)C(=O)OC TS92624 [0,1,0,1,0,0|2,0,0]=4 920 B11R1.878 CC1(CCNCC1)C(=O)OC TS85714 [0,1,0,1,0,0|2,0,0]=4 921 B11R1.878 CC1(CCOCC1)C(=O)OC TS90925 [0,1,0,1,0,0|2,0,0]=4 922 B11R1.878 COC(=O)C1(CCCCC1)Br TS49909 [0,1,0,1,0,0|1,0,0]=3 923 B11R1.878 COC(=O)C1(CCCCC1)N TS01541 [0,1,0,1,0,0|1,0,0]=3 924 B11R1.878 COC(=O)C1(CCOCC1)F TS88272 [0,1,0,1,0,0|2,0,0]=4 925 B11R1.878 COC(=O)C1(CCOCC1)N TS85725 [0,1,0,1,0,0|2,0,0]=4 926 B11R1.878 COC(=O)C1(CCOCC1)O TS11220 [0,1,0,1,0,0|2,0,0]=4 927 B11R2.34 C1CC1N2CCC(=O)CC2 TS59901 [0,0,0,2,0,0|1,0,0]=3 928 B11R2.36 C1CC2CC(=O)CCN2C1 TS94460 [0,0,0,2,0,0|1,0,0]=3 929 B11R2.106 C1CC2C(=O)CCCN2C1 TS08529 [0,0,0,2,0,0|1,0,0]=3 930 B11R2.1 C1CC(=O)N2C1CNCC2 TS06479 [0,0,0,2,0,0|2,0,0]=4 931 B11R2.1 C1CC(=O)N2[C@@H]1CNCC2 TS89658 [0,0,0,2,0,0|2,0,0]=4 932 B11R2.1 C1CC(=O)N2[C@H]1CNCC2 TS88149 [0,0,0,2,0,0|2,0,0]=4 933 B11R2.1 C1CCN2C(C1)CCC2=O TS06382 [0,0,0,2,0,0|1,0,0]=3 934 B11R2.1 C1CNC[C@@H]2[C@H]1CNC2=O TS88658 [0,0,0,2,0,0|2,0,0]=4 935 B11R2.905 COC(=O)C1[C@H]2[C@@H]1CNC2 TS92006 [0,0,0,2,0,0|2,0,0]=4 936 B11R2.911 COC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1 TS91954 [0,0,0,2,0,0|2,0,0]=4 937 B11R2.66 C1CC2CC(=O)NC2[C@@H]1I TS28137 [0,0,0,2,0,0|2,0,0]=4 938 B11R2.748 C1CNCC12CC(=O)NC2 TS85860 [0,0,0,2,0,0|2,0,0]=4 939 B11R2.63 CN1C2CCC1C(=O)CC2 TS91977 [0,0,0,2,0,0|1,0,0]=3