0 B9R0.2 C=CCCCCCC(O)=O M10156973P [0,0,0,0,0,0|0,0,2]=2 1 B9R0.2 CC(OCCOCCO)=O M10039891P [0,0,0,0,0,0|4,0,0]=4 2 B9R0.2 O=C(O)CCCCCCN M10378899P [0,0,0,0,0,0|1,0,0]=1 3 B9R0.2 O=C(O)CCCCCCO M10056977P [0,0,0,0,0,0|1,0,0]=1 4 B9R0.2 O=C(O)CCCCCOC M10246469P [0,0,0,0,0,0|1,0,0]=1 5 B8R0.4 BrCCCCCCCBr M10064364P [1,0,0,0,0,0|2,0,1]=4 6 B8R0.4 C#CCCCCCCO M10022227P [1,0,0,0,0,0|0,0,3]=4 7 B8R0.4 C=CCCCCCCCl M10022226P [1,0,0,0,0,0|2,0,0]=3 8 B8R0.4 CCCCCCCCI M10017037P [1,0,0,0,0,0|1,0,1]=3 9 B8R0.4 CCCCCCN=C=O M10045007P [1,0,0,0,0,0|1,0,1]=3 10 B8R0.4 CCCCC\C=C\C=O M10045247P [1,0,0,0,0,0|0,0,2]=3 11 B8R0.4 CCCCNCCCC M10087124P [1,0,0,0,0,0|2,0,1]=4 12 B8R0.4 N#CCCCCCCBr M10168239P [1,0,0,0,0,0|2,0,1]=4 13 B8R0.4 N#CCCOCCCC M10098879P [1,0,0,0,0,0|2,0,1]=4 14 B8R0.4 OCCCCCCCO M10017038P [1,0,0,0,0,0|1,0,1]=3 15 B8R0.4 OCCCNCCCO M10128009P [1,0,0,0,0,0|2,0,1]=4 16 B8R0.7 BrCCCCOC(C)=O M10065998P [1,0,0,0,0,0|3,0,0]=4 17 B8R0.7 C#CCCCCC(O)=O M10212111P [1,0,0,0,0,0|0,0,2]=3 18 B8R0.7 C=CCCCCC(O)=O M10027121P [1,0,0,0,0,0|0,0,2]=3 19 B8R0.7 CC(O)CCCCCC M10060290P [1,0,0,0,0,0|1,0,1]=3 20 B8R0.7 CC(O)COCCCC M10069007P [1,0,0,0,0,0|2,0,1]=4 21 B8R0.7 CCCCCCB(O)O M10142242P [1,0,0,0,0,0|1,0,1]=3 22 B8R0.7 CCCC\C=C\C(O)=O M10158440P [1,0,0,0,0,0|0,0,2]=3 23 B8R0.7 CSCCCOC(C)=O M10144018P [1,0,0,0,0,0|3,0,0]=4 24 B8R0.7 C[C@@H](O)CCCCCC M10082518P [1,0,0,0,0,0|1,0,1]=3 25 B8R0.7 C[C@H](O)CCCCCC M10084602P [1,0,0,0,0,0|1,0,1]=3 26 B8R0.7 O=C(Cl)CCCCCBr M10176911P [1,0,0,0,0,0|2,0,0]=3 27 B8R0.7 O=C(Cl)OCCCCC M10017366P [1,0,0,0,0,0|2,0,0]=3 28 B8R0.7 O=C(Cl)OCCOCC M10016994P [1,0,0,0,0,0|3,0,0]=4 29 B8R0.7 O=C(O)CCCCCN M10196151P [1,0,0,0,0,0|1,0,0]=2 30 B8R0.7 O=C(O)COCCCC M10044886P [1,0,0,0,0,0|1,0,0]=2 31 B8R0.7 O=C(O)COCCOC M10140131P [1,0,0,0,0,0|2,0,0]=3 32 B10R0.3 O=C(OCC)CCCC(Cl)=O M10069640P [0,1,0,0,0,0|2,0,1]=4 33 B10R0.4 C=CCCCCCCC(O)=O M10214607P [0,1,0,0,0,0|0,0,1]=2 34 B10R0.4 O=C(Cl)OCCCCCCC M10221559P [0,1,0,0,0,0|1,0,0]=2 35 B10R0.4 O=C(O)COCCCCCC M12277225P [0,1,0,0,0,0|0,0,0]=1 36 B10R0.4 O=C(O)NCCCCCCN M10005461P [0,1,0,0,0,0|1,0,0]=2 37 B10R0.74 C=CC(OCCCCCC)=O M10044707P [0,1,0,0,0,0|2,0,0]=3 38 B10R0.74 CCCCCCCC(NN)=O M10088132P [0,1,0,0,0,0|1,0,0]=2 39 B10R0.74 CCCCCCCC(NO)=O M10104471P [0,1,0,0,0,0|0,0,0]=1 40 B10R0.74 O=C(OC)CCCCCCN M10152761P [0,1,0,0,0,0|1,0,0]=2 41 B10R0.75 CCCCCCC(Br)C(O)=O M10186759P [0,1,0,0,0,0|0,0,0]=1 42 B10R0.78 O=C(O)CNC(CCCC)=O M10182715P [0,1,0,0,0,0|1,0,1]=3 43 B10R0.97 CC(C)CCCCCC(O)=O M10195776P [0,1,0,0,0,0|0,0,0]=1 44 B10R1.18 CC(CC1CCCCC1)=O M10003101P [0,0,0,1,0,0|1,0,0]=2 45 B10R1.18 O=C(N)NC1CCCCC1 M10018809P [0,0,0,1,0,0|2,0,0]=3 46 B10R1.18 O=C(O)CC1CCNCC1 M10257318P [0,0,0,1,0,0|1,0,0]=2 47 B10R1.18 O=C(O)CC1CCNCC1 M10451389P [0,0,0,1,0,0|1,0,0]=2 48 B10R1.18 O=C(O)CC1CNCCC1 M10445395P [0,0,0,1,0,0|1,0,0]=2 49 B10R1.18 O=C(O)CC1NCCNC1 M10131974P [0,0,0,1,0,0|2,0,0]=3 50 B10R1.18 O=C(O)CN1CCOCC1 M10052534P [0,0,0,1,0,0|2,0,0]=3 51 B10R1.18 O=C(O)CN1CCOCC1 M10573512P [0,0,0,1,0,0|2,0,0]=3 52 B10R1.61 O=C(C1C(O)CCCC1)O M10015822P [0,0,0,1,0,0|1,0,0]=2 53 B10R1.61 O=C([C@@H]1N(C)CCCC1)O M10245935P [0,0,0,1,0,0|1,0,0]=2 54 B10R1.61 O=C1C(C(C)=O)CCCC1 M10022320P [0,0,0,1,0,0|2,0,1]=4 55 B10R1.64 O=C(O)CN1C(CCC1)=O M10273605P [0,0,0,1,0,0|2,0,1]=4 56 B10R1.348 O=C(C1CCCCCC1)O M10031109P [0,0,0,1,0,0|0,0,0]=1 57 B10R1.348 O=C(C1NCCCCC1)O M10069811P [0,0,0,1,0,0|1,0,0]=2 58 B7R0.1 C=CCCCCCCl M10023319P [2,0,0,0,0,0|1,0,1]=4 59 B7R0.1 CCCCCCCI M10061657P [2,0,0,0,0,0|1,0,0]=3 60 B7R0.1 CCCCOCCCl M10115661P [2,0,0,0,0,0|2,0,0]=4 61 B7R0.1 ICCCCCCI M10017025P [2,0,0,0,0,0|2,0,0]=4 62 B7R0.1 NCCCCCCN M10083288P [2,0,0,0,0,0|2,0,0]=4 63 B7R0.4 CC(CCCCBr)=O M10113189P [2,0,0,0,0,0|2,0,0]=4 64 B7R0.4 CCCCCB(O)O M10065828P [2,0,0,0,0,0|1,0,1]=4 65 B7R0.4 CCCCCC(Cl)=O M10005436P [2,0,0,0,0,0|1,0,0]=3 66 B7R0.4 O=C(N)NCCCC M10195780P [2,0,0,0,0,0|2,0,0]=4 67 B7R0.4 O=C(N)NCCCC M10200467P [2,0,0,0,0,0|2,0,0]=4 68 B7R0.4 O=C(O)CCCC#N M10239045P [2,0,0,0,0,0|1,0,1]=4 69 B7R0.4 O=C(O)CCCCO M10123275P [2,0,0,0,0,0|1,0,0]=3 70 B7R0.4 O=C(O)CCOCC M10062024P [2,0,0,0,0,0|1,0,0]=3 71 B7R0.4 O=C(O)CNCCN M10183221P [2,0,0,0,0,0|2,0,0]=4 72 B7R0.4 O=C(O)COCCC M10276951P [2,0,0,0,0,0|1,0,0]=3 73 B7R0.4 O=C([O-])CCCCO M10233260P [2,0,0,0,0,0|1,0,1]=4 74 B9R0.45 C=CCCCCCCC=C M10034215P [1,1,0,0,0,0|1,0,1]=4 75 B9R0.45 C=CCCCCCCCBr M10567508P [1,1,0,0,0,0|1,0,0]=3 76 B9R0.45 C=CCCCCCCCCl M10022231P [1,1,0,0,0,0|1,0,0]=3 77 B9R0.45 CCCCCCCCCI M10191776P [1,1,0,0,0,0|1,0,1]=4 78 B9R0.45 CCCCCCCCNC M10043978P [1,1,0,0,0,0|1,0,1]=4 79 B9R0.45 CCCCCC\C=C\C=O M10157563P [1,1,0,0,0,0|0,0,1]=3 80 B9R0.45 OCCCCCCCCBr M10256068P [1,1,0,0,0,0|0,0,1]=3 81 B9R0.1 O=C(O)CCCC(OC)=O M10031796P [1,1,0,0,0,0|1,0,1]=4 82 B9R0.38 CCCCCCP(O)(O)=O M10065651P [1,1,0,0,0,0|1,0,0]=3 83 B9R0.47 O=C(O)[C@@H](N)CCCCN M10073031P [1,1,0,0,0,0|1,0,0]=3 84 B9R0.47 O=C(O)[C@@H](N)CCCCN M10197723P [1,1,0,0,0,0|1,0,0]=3 85 B9R0.55 O=C(O)CCCCC(C)=O M10051384P [1,1,0,0,0,0|0,0,1]=3 86 B11R0.30 O=C(O)CCCCCNC(N)=N M10095274P [0,2,0,0,0,0|1,0,1]=4 87 B11R0.40 CCCCCCCCC(O)CO M10027137P [0,2,0,0,0,0|0,0,2]=4 88 B11R0.42 C=C(C)C(OCCCCCC)=O M10005409P [0,2,0,0,0,0|2,0,0]=4 89 B11R0.42 CCCCCCCC(N(C)C)=O M10027091P [0,2,0,0,0,0|1,0,0]=3 90 B11R0.46 CC(CCC(OCCCC)=O)=O M10039525P [0,2,0,0,0,0|1,0,1]=4 91 B11R0.46 O=C(O)CCN(C)CCCCC M10903205P [0,2,0,0,0,0|0,0,0]=2 92 B11R0.148 C=CCCCCCCCC(O)=O M10131075P [0,2,0,0,0,0|0,0,0]=2 93 B11R0.148 O=C(O)COCCOCCOC M10140132P [0,2,0,0,0,0|1,0,0]=3 94 B11R0.159 CCCCCCCCP(O)(O)=O M10065678P [0,2,0,0,0,0|1,0,0]=3 95 B11R0.159 CCCCCCCCS(=O)(Cl)=O M10110942P [0,2,0,0,0,0|1,0,1]=4 96 B11R0.77 CC(OC(CCCCC)C=C)=O M10044015P [0,2,0,0,0,0|2,0,0]=4 97 B11R0.31 CC(C)(C)CCCCCC(Cl)=O M10242269P [0,2,0,0,0,0|1,0,0]=3 98 B11R0.4 O=C(OCC)CCCCCCBr M10207592P [0,2,0,0,0,0|1,0,0]=3 99 B11R0.4 O=C(OCC)CCCCCCN M10207661P [0,2,0,0,0,0|1,0,0]=3 100 B11R0.142 CCCCCCC(Br)C(OC)=O M10075136P [0,2,0,0,0,0|0,0,0]=2 101 B11R0.164 CCCCC(CC)CCC(O)=O M10143115P [0,2,0,0,0,0|0,0,0]=2 102 B11R0.164 O=C(Cl)OCC(CC)CCCC M10185016P [0,2,0,0,0,0|2,0,0]=4 103 B9R1.5 O=C1NCCCCC1N M10018058P [1,0,0,1,0,0|2,0,0]=4 104 B9R1.5 O=C1NCCCC[C@H]1N M10204271P [1,0,0,1,0,0|2,0,0]=4 105 B9R1.8 C=COC1CCCCC1 M10040911P [1,0,0,1,0,0|2,0,0]=4 106 B9R1.8 CCCC1CCCCC1 M10034652P [1,0,0,1,0,0|1,0,1]=4 107 B9R1.8 CCOC1CCC=CO1 M10003099P [1,0,0,1,0,0|1,0,1]=4 108 B9R1.8 NCCC1CCCCC1 M10076838P [1,0,0,1,0,0|1,0,1]=4 109 B9R1.8 OCCC1CCCCC1 M10063359P [1,0,0,1,0,0|0,0,1]=3 110 B9R1.8 OCCC1CCNCC1 M10599588P [1,0,0,1,0,0|1,0,1]=4 111 B9R1.8 OCCC1CNCCC1 M10145092P [1,0,0,1,0,0|1,0,1]=4 112 B9R1.12 OCCCN1CCCC1 M10162297P [1,0,0,1,0,0|1,0,1]=4 113 B9R1.15 O=C1C(OC)COCC1 M10903127P [1,0,0,1,0,0|2,0,0]=4 114 B9R1.15 O=C1NCCCC1OC M10188359P [1,0,0,1,0,0|2,0,0]=4 115 B9R1.15 O[C@H]1[C@H](NC)CCCC1 M10171206P [1,0,0,1,0,0|1,0,1]=4 116 B9R1.33 CN1[C@H](CCO)CCC1 M10348642P [1,0,0,1,0,0|1,0,1]=4 117 B9R1.33 O=C1N(CCC)CCC1 M10054809P [1,0,0,1,0,0|1,0,0]=3 118 B9R1.50 O=C1NCCCCCC1 M10018116P [1,0,0,1,0,0|1,0,0]=3 119 B9R1.103 N1CCCCCCCC1 M10078823P [1,0,0,1,0,0|1,0,1]=4 120 B9R1.6 CC(C1CCCCC1)=O M10021388P [1,0,0,1,0,0|1,0,0]=3 121 B9R1.6 CC(C1CCOCC1)=O M10742643P [1,0,0,1,0,0|2,0,0]=4 122 B9R1.6 O=C(C1=CCCCC1)O M10017285P [1,0,0,1,0,0|0,0,2]=4 123 B9R1.6 O=C(C1CCCCC1)O M10002681P [1,0,0,1,0,0|0,0,0]=2 124 B9R1.6 O=C(C1CCCCC1)[O-] M10005124P [1,0,0,1,0,0|0,0,1]=3 125 B9R1.6 O=C(C1CCCCO1)O M10261099P [1,0,0,1,0,0|1,0,0]=3 126 B9R1.6 O=C(C1CCOCC1)O M10071426P [1,0,0,1,0,0|1,0,0]=3 127 B9R1.6 O=C(C1COCCC1)O M10012480P [1,0,0,1,0,0|1,0,0]=3 128 B9R1.6 O=C(C1NCCNC1)O M10047414P [1,0,0,1,0,0|2,0,0]=4 129 B9R1.6 O=C(C1NCCSC1)O M10168222P [1,0,0,1,0,0|2,0,0]=4 130 B9R1.6 O=C(Cl)C1CCOCC1 M10241966P [1,0,0,1,0,0|2,0,0]=4 131 B9R1.6 O=C([C@@H]1NCCNC1)O M10723219P [1,0,0,1,0,0|2,0,0]=4 132 B9R1.6 O=C([C@H]1CNCCC1)O M11020814P [1,0,0,1,0,0|1,0,0]=3 133 B9R1.13 O=C(O)CC1COCC1 M10746626P [1,0,0,1,0,0|1,0,0]=3 134 B9R1.13 O=C(O)CC1OCCC1 M10043869P [1,0,0,1,0,0|1,0,0]=3 135 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10330790P [1,0,0,1,0,0|1,0,0]=3 136 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10879019P [1,0,0,1,0,0|1,0,0]=3 137 B9R1.13 O=C(O)C[C@H]1CNCC1 M10715094P [1,0,0,1,0,0|1,0,0]=3 138 B9R1.41 O=C([C@H]1N(C)CCC1)O M10011652P [1,0,0,1,0,0|1,0,0]=3 139 B11R1.53 O=C([C@@H]1[C@@H](CO)CCCC1)N M10699987P [0,1,0,1,0,0|1,0,0]=3 140 B11R1.91 O=C(Cl)CCC1CCCCC1 M10238618P [0,1,0,1,0,0|1,0,0]=3 141 B11R1.91 O=C(O)CCC1NCCCC1 M10059891P [0,1,0,1,0,0|0,0,0]=2 142 B11R1.91 O=C(O)CCC1NCCCC1 M10637402P [0,1,0,1,0,0|0,0,0]=2 143 B11R1.34 O=C1CC(CC(CCC)C1)=O M10296294P [0,1,0,1,0,0|1,0,1]=4 144 B11R1.20 CC(NC1CCC(O)CC1)=O M10179554P [0,1,0,1,0,0|2,0,0]=4 145 B11R1.20 O=C(O)CN1CCN(C)CC1 M10278138P [0,1,0,1,0,0|2,0,0]=4 146 B11R1.1 OC1CCC(CCCC)CC1 M10438951P [0,1,0,1,0,0|1,0,1]=4 147 B11R1.40 O=C(OC)CC1CCNCC1 M10482818P [0,1,0,1,0,0|1,0,0]=3 148 B11R1.40 O=C(OC)CC1NCCNC1 M10872267P [0,1,0,1,0,0|2,0,0]=4 149 B11R1.40 O=C(OC)CC1NCCNC1 M12277833P [0,1,0,1,0,0|2,0,0]=4 150 B11R1.852 O=C(C1CCCCCC1)OC M10314157P [0,1,0,1,0,0|0,0,0]=2 151 B11R1.35 O=C(O)[C@H](N)CC1CCCC1 M10637351P [0,1,0,1,0,0|0,0,0]=2 152 B11R1.36 O=C(O)C(N)C1CCOCC1 M10269816P [0,1,0,1,0,0|1,0,0]=3 153 B11R1.36 O=C(O)[C@H](N)C1CCOCC1 M10882601P [0,1,0,1,0,0|1,0,0]=3 154 B11R1.178 O=C([C@H]1[C@H](C(O)=O)CCC1)O M10031137P [0,1,0,1,0,0|1,0,1]=4 155 B11R2.1 O=C1OC[C@@H]2CNCCN21 M10089966P [0,0,0,2,0,0|2,0,0]=4 156 B11R2.1 O=C1OC[C@H]2CNCCN21 M11032291P [0,0,0,2,0,0|2,0,0]=4 157 B11R2.703 O=C1CC2(CCNCC2)C1 M11141872P [0,0,0,2,0,0|2,0,0]=4 158 B11R2.703 O=C1NC2(CCNCC2)C1 M11119929P [0,0,0,2,0,0|2,0,0]=4 159 B11R2.202 O=C1C2C(CCC2)C(O1)=O M10080140P [0,0,0,2,0,0|1,0,1]=4