0 B9R0.5 O=C(OCC)COCCCl M10148096P [0,0,0,0,0,0|2,0,0]=2 1 B9R0.5 O=C(OCC)\C=C\OCC M10082130P [0,0,0,0,0,0|1,0,2]=3 2 B9R0.5 O=C(OCCCC)CC#N M10076065P [0,0,0,0,0,0|3,0,1]=4 3 B8R0.1 O=C(OCC)CCCBr M10049666P [1,0,0,0,0,0|1,0,0]=2 4 B8R0.1 O=C(OCC)CCCCl M10051695P [1,0,0,0,0,0|1,0,0]=2 5 B8R0.1 O=C(OCC)CCCN M10097497P [1,0,0,0,0,0|1,0,0]=2 6 B8R0.1 O=C(OCC)COCC M10021200P [1,0,0,0,0,0|1,0,0]=2 7 B8R0.1 O=C(OCC)NCCCl M10089881P [1,0,0,0,0,0|2,0,0]=3 8 B8R0.1 O=C(OCC)\C=C\CBr M10234278P [1,0,0,0,0,0|1,0,2]=4 9 B8R0.4 CCCCCCCCI M10017037P [1,0,0,0,0,0|2,0,1]=4 10 B8R0.4 CCCCC\C=C\C=O M10045247P [1,0,0,0,0,0|2,0,1]=4 11 B8R0.4 CCCCNCCCC M10087124P [1,0,0,0,0,0|2,0,1]=4 12 B8R0.6 CCCCCC([O-])CC M10026061P [1,0,0,0,0,0|0,0,2]=3 13 B8R0.6 O=C(OC)CCCCCl M10129961P [1,0,0,0,0,0|1,0,0]=2 14 B8R0.6 O=C(OCCCC)CCl M10014991P [1,0,0,0,0,0|2,0,0]=3 15 B8R0.6 O=C(OCCCC)CO M10104696P [1,0,0,0,0,0|2,0,0]=3 16 B10R0.1 O=C(OCC)CCCCCO M10070500P [0,1,0,0,0,0|0,0,0]=1 17 B10R0.2 CCCC(O)CC(OCC)=O M10042346P [0,1,0,0,0,0|0,0,0]=1 18 B10R0.2 O=C(OCC)CC(OCC)=N M10042505P [0,1,0,0,0,0|1,0,1]=3 19 B10R0.2 O=C(OCC)CC(OCC)=N M10197563P [0,1,0,0,0,0|1,0,1]=3 20 B10R0.2 O=C(OCC)C[C@@H](O)CC#N M10856685P [0,1,0,0,0,0|1,0,1]=3 21 B10R0.3 C=C(C)CCCC(OCC)=O M10239653P [0,1,0,0,0,0|0,0,1]=2 22 B10R0.3 O=C(OCC)CCCC(Cl)=O M10069640P [0,1,0,0,0,0|1,0,1]=3 23 B10R0.3 O=C(OCC)CCNC(C)C M10141409P [0,1,0,0,0,0|1,0,0]=2 24 B10R0.19 CCCCC(Br)C(OCC)=O M10016197P [0,1,0,0,0,0|0,0,0]=1 25 B10R0.19 CCCCC(C(OCC)=O)=O M10080038P [0,1,0,0,0,0|0,0,1]=2 26 B10R0.19 O=C(OCC)C(Br)CCCBr M10207591P [0,1,0,0,0,0|1,0,0]=2 27 B10R0.19 O=C(OCC)[C@@H](N)CCCN M10499010P [0,1,0,0,0,0|1,0,0]=2 28 B10R0.24 CCCCCC(CCC)CO M10111591P [0,1,0,0,0,0|1,0,2]=4 29 B10R0.91 CCCCC(OCCCC)=O M10015063P [0,1,0,0,0,0|2,0,0]=3 30 B10R1.11 O=C(C1OCCC1)OCC M10145708P [0,0,0,1,0,0|1,0,0]=2 31 B10R1.11 O=C(OCC)[C@@H]1NCCC1 M10733320P [0,0,0,1,0,0|1,0,0]=2 32 B10R1.11 O=C([C@H]1NCSC1)OCC M10505154P [0,0,0,1,0,0|2,0,0]=3 33 B10R1.19 O=C1N(C=C)CCCCC1 M10041605P [0,0,0,1,0,0|1,0,2]=4 34 B10R1.21 BrCCCCC1OCCO1 M10510913P [0,0,0,1,0,0|1,0,2]=4 35 B10R1.29 O=C1N(CCCC)CCC1 M10054808P [0,0,0,1,0,0|2,0,0]=3 36 B10R1.137 O=C(OCC)C=C1COC1 M11075198P [0,0,0,1,0,0|1,0,2]=4 37 B10R1.138 CCCC(OCC1OC1)=O M10044259P [0,0,0,1,0,0|3,0,0]=4 38 B10R1.138 CCCC(OC[C@H]1OC1)=O M10409414P [0,0,0,1,0,0|3,0,0]=4 39 B7R0.1 CCCCCCCI M10061657P [2,0,0,0,0,0|1,0,1]=4 40 B7R0.1 CCOCCOCC M10017029P [2,0,0,0,0,0|1,0,0]=3 41 B7R0.3 O=C(OC)CCC=O M10126962P [2,0,0,0,0,0|1,0,1]=4 42 B7R0.3 O=C(OC)CCCN M10119950P [2,0,0,0,0,0|1,0,0]=3 43 B7R0.3 O=C(OCCC)CBr M10226573P [2,0,0,0,0,0|2,0,0]=4 44 B7R0.7 C=C(OCC)OCC M10046654P [2,0,0,0,0,0|2,0,0]=4 45 B7R0.7 CCCC(OCCl)=O M10221194P [2,0,0,0,0,0|1,0,0]=3 46 B7R0.7 C\C=C\C(OCC)=O M10116065P [2,0,0,0,0,0|0,0,2]=4 47 B7R0.7 O=C(OCC)CCS M10076471P [2,0,0,0,0,0|1,0,0]=3 48 B7R0.7 O=C(OCC)CNN M10098052P [2,0,0,0,0,0|2,0,0]=4 49 B7R0.7 O=C(OCCl)OCC M10226366P [2,0,0,0,0,0|2,0,0]=4 50 B7R0.7 O=S(OCC)OCC M10016673P [2,0,0,0,0,0|2,0,0]=4 51 B7R0.4 CC(CCCCBr)=O M10113189P [2,0,0,0,0,0|1,0,0]=3 52 B7R0.4 CC(N)CCCCC M10004600P [2,0,0,0,0,0|1,0,1]=4 53 B7R0.4 CC(OCCOC)=O M10003718P [2,0,0,0,0,0|2,0,0]=4 54 B7R0.4 CCCCCB(O)O M10065828P [2,0,0,0,0,0|1,0,1]=4 55 B7R0.4 CCCCCC(Cl)=O M10005436P [2,0,0,0,0,0|1,0,0]=3 56 B7R0.4 O=C(N)NCCCC M10195780P [2,0,0,0,0,0|2,0,0]=4 57 B7R0.4 O=C(N)NCCCC M10200467P [2,0,0,0,0,0|2,0,0]=4 58 B7R0.4 O=C(O)CCCC#N M10239045P [2,0,0,0,0,0|1,0,1]=4 59 B7R0.4 O=C(O)CCCCO M10123275P [2,0,0,0,0,0|1,0,0]=3 60 B7R0.4 O=C(O)CCOCC M10062024P [2,0,0,0,0,0|1,0,0]=3 61 B7R0.4 O=C(O)CNCCN M10183221P [2,0,0,0,0,0|2,0,0]=4 62 B7R0.4 O=C(O)COCCC M10276951P [2,0,0,0,0,0|1,0,0]=3 63 B7R0.4 O=C([O-])CCCCO M10233260P [2,0,0,0,0,0|1,0,1]=4 64 B9R0.18 O=C(CCCCl)CCCCl M10243374P [1,1,0,0,0,0|2,0,0]=4 65 B9R0.18 O=[Sn](CCCC)CCCC M10021207P [1,1,0,0,0,0|2,0,0]=4 66 B9R0.34 O=C(OCC)CC(CBr)=O M10121526P [1,1,0,0,0,0|1,0,1]=4 67 B9R0.34 O=C(OCC)CC(NC)=O M10443263P [1,1,0,0,0,0|1,0,1]=4 68 B9R0.34 O=C(OCC)CC(O)CCl M10115530P [1,1,0,0,0,0|1,0,0]=3 69 B9R0.35 CCCC(C(O)CCC)=O M10012297P [1,1,0,0,0,0|1,0,0]=3 70 B9R0.35 CCCC(C(OCC)=O)=O M10254180P [1,1,0,0,0,0|0,0,1]=3 71 B9R0.35 O=C(OCC)C(Cl)OCC M10222370P [1,1,0,0,0,0|1,0,0]=3 72 B9R0.48 CC(C)CCC(OCC)=O M10189485P [1,1,0,0,0,0|0,0,0]=2 73 B9R0.48 O=C(OCC)CCN(C)C M10164358P [1,1,0,0,0,0|1,0,0]=3 74 B9R0.45 CCCCCCCCCI M10191776P [1,1,0,0,0,0|1,0,1]=4 75 B9R0.45 CCCCCCCCNC M10043978P [1,1,0,0,0,0|1,0,1]=4 76 B9R0.45 COCCOCCOCC M10024868P [1,1,0,0,0,0|1,0,1]=4 77 B9R0.1 O=C(O)CCCC(OC)=O M10031796P [1,1,0,0,0,0|1,0,1]=4 78 B9R0.24 O=C(OC)CCC(CN)=O M10475373P [1,1,0,0,0,0|1,0,1]=4 79 B9R0.47 CC(C(OCCCC)=O)=O M10165130P [1,1,0,0,0,0|1,0,1]=4 80 B9R0.47 C[C@H](O)C(OCCCC)=O M10223932P [1,1,0,0,0,0|1,0,0]=3 81 B11R0.4 CCCC(OC\C=C\CCC)=O M10270404P [0,2,0,0,0,0|1,0,1]=4 82 B11R0.4 O=C(OCC)CCCCCCBr M10207592P [0,2,0,0,0,0|0,0,0]=2 83 B11R0.4 O=C(OCC)CCCCCCN M10207661P [0,2,0,0,0,0|0,0,0]=2 84 B11R0.155 CCCCCC(C(OCC)=O)=O M10120553P [0,2,0,0,0,0|0,0,0]=2 85 B11R0.155 CC\C=C(C)\C(O)CCCCC M10484703P [0,2,0,0,0,0|2,0,0]=4 86 B11R0.177 O=C(OCC)C(Cl)C(OCC)=O M10128495P [0,2,0,0,0,0|1,0,1]=4 87 B11R0.177 O=C(OCC)C(N)C(OCC)=O M10096501P [0,2,0,0,0,0|1,0,1]=4 88 B11R0.165 O=C(OC(C)(C)C)NCCNC M10715703P [0,2,0,0,0,0|2,0,0]=4 89 B11R0.191 CCCCC(CC)C(OCC)=O M10049843P [0,2,0,0,0,0|0,0,0]=2 90 B11R0.247 CCCCC(F)(F)C(OCC)=O M10454418P [0,2,0,0,0,0|0,0,0]=2 91 B11R0.46 CC(CCC(OCCCC)=O)=O M10039525P [0,2,0,0,0,0|2,0,0]=4 92 B9R1.33 O=C1N(CCC)CCC1 M10054809P [1,0,0,1,0,0|2,0,0]=4 93 B9R1.50 O=C1NCCCCCC1 M10018116P [1,0,0,1,0,0|1,0,0]=3 94 B9R1.73 O=C(C1CCC1)OCC M10133979P [1,0,0,1,0,0|0,0,0]=2 95 B9R1.73 O=C(C1CNC1)OCC M10874942P [1,0,0,1,0,0|1,0,0]=3 96 B9R1.103 N1CCCCCCCC1 M10078823P [1,0,0,1,0,0|1,0,1]=4 97 B9R1.1 N#CC1CCC(CC1)=O M10225432P [1,0,0,1,0,0|1,0,1]=4 98 B9R1.1 O=C1CCC(OC)CC1 M10124180P [1,0,0,1,0,0|1,0,0]=3 99 B9R1.1 O=C1NCC(CO)CC1 M10769348P [1,0,0,1,0,0|2,0,0]=4 100 B9R1.11 ClCC(N1CCCC1)=O M10165063P [1,0,0,1,0,0|2,0,0]=4 101 B9R1.11 O=C(C1=CCCC1)OC M10190686P [1,0,0,1,0,0|0,0,2]=4 102 B9R1.11 O=C(C1CNCC1)OC M10828155P [1,0,0,1,0,0|1,0,0]=3 103 B9R1.11 O=C(C1OCCC1)OC M10233304P [1,0,0,1,0,0|1,0,0]=3 104 B9R1.118 OC1(CC)CCCCC1 M10038193P [1,0,0,1,0,0|0,0,2]=4 105 B11R1.16 O=C(C1CCNCC1)OCC M10771698P [0,1,0,1,0,0|0,0,0]=2 106 B11R1.16 O=C(C1CNCCC1)OCC M10066727P [0,1,0,1,0,0|0,0,0]=2 107 B11R1.16 O=C(C1CNCCC1)OCC M10067963P [0,1,0,1,0,0|0,0,0]=2 108 B11R1.16 O=C(C1NCCCC1)OCC M10466005P [0,1,0,1,0,0|0,0,0]=2 109 B11R1.16 O=C(C1NCCNC1)OCC M10586758P [0,1,0,1,0,0|1,0,0]=3 110 B11R1.199 O=C(C1CSCC1=O)OCC M10472503P [0,1,0,1,0,0|1,0,1]=4 111 B11R1.199 O=C([C@H]1[C@@H](O)CCC1)OCC M10340054P [0,1,0,1,0,0|0,0,0]=2 112 B11R1.289 O=C(CCN1CCC1)OCC M10110138P [0,1,0,1,0,0|0,0,0]=2 113 B11R1.34 O=C1CC(CC(CCC)C1)=O M10296294P [0,1,0,1,0,0|1,0,1]=4 114 B11R1.15 O=C(N1CC(CC1)=O)OCC M10133793P [0,1,0,1,0,0|1,0,1]=4 115 B11R1.143 O=C1N(C(C)=O)CCCCC1 M10037588P [0,1,0,1,0,0|1,0,1]=4 116 B11R1.819 O=C(C1(O)CCCC1)OCC M10245335P [0,1,0,1,0,0|0,0,0]=2 117 B11R2.3 O=C1NCCC12CNCC2 M11112331P [0,0,0,2,0,0|2,0,0]=4 118 B11R2.202 O=C1C2C(CCC2)C(O1)=O M10080140P [0,0,0,2,0,0|1,0,1]=4 119 B11R2.1 O=C1OC[C@@H]2CNCCN21 M10089966P [0,0,0,2,0,0|2,0,0]=4 120 B11R2.1 O=C1OC[C@H]2CNCCN21 M11032291P [0,0,0,2,0,0|2,0,0]=4