0 B9R0.2 CCCCCCCC(=O)Cl MC40496 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.2 CCCCCCOC(=O)Cl CS11449 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.2 CCCSCCCC(=O)O MC112372 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.2 NCCCCCCC(=O)O CS10138 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.2 O=C(O)CCCCCCO CS10820 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.4 C#CCCCCCCO CS10833 [1,0,0,0,0,0|0,0,2]=3 6 B8R0.4 CCCCCOCCO MC437002 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.4 CCCCNCCCC CS11229 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.4 COCCOCCOC MC41925 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.4 OCCCCCCCBr CS13415 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.4 OCCCNCCCO CS21826 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.7 CCCCCCB(O)O MC31067 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.7 CCNCCCN(C)C MC103675 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.7 CSCCCCC(=O)O MC112374 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 NCCCCCC(=O)O CS13381 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.7 O=C(O)CCCCCBr CS18405 [1,0,0,0,0,0|2,0,1]=4 16 B10R0.4 CCCCCCCCB(O)O MC31112 [0,1,0,0,0,0|2,0,0]=3 17 B10R0.4 CCCCCCCCC(C)C CS21688 [0,1,0,0,0,0|1,0,0]=2 18 B10R0.4 CCCCCC\C=C\B(O)O MC425764 [0,1,0,0,0,0|2,0,1]=4 19 B10R0.6 CCCCCC(C)CC(=O)O MC112327 [0,1,0,0,0,0|1,0,1]=3 20 B10R0.22 CCCCCCCS(=O)(=O)[O-] MC445021 [0,1,0,0,0,0|2,0,1]=4 21 B10R0.22 CCCCCCCS(=O)(=O)[O-] MC445027 [0,1,0,0,0,0|2,0,1]=4 22 B10R0.74 CCCCCCCC(=O)NO CS11097 [0,1,0,0,0,0|1,0,1]=3 23 B10R0.74 COC(=O)CCCCCCN CS14288 [0,1,0,0,0,0|1,0,2]=4 24 B10R0.75 CNCCCCC(N)C(=O)O MC437873 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.10 CCCC1CCCC(=O)C1 MC106166 [0,0,0,1,0,0|0,0,2]=3 26 B10R1.10 CCCC1CCCC(O)C1 MC106169 [0,0,0,1,0,0|0,0,0]=1 27 B10R1.10 CCNC1CCCN(C)C1 MC103677 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.10 CN1CCCC(CCN)C1 MC105153 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.10 CN1CCCC(CCN)C1 MC105639 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.10 COCC1CCCC(=O)C1 MC106177 [0,0,0,1,0,0|1,0,2]=4 31 B10R1.18 CC(C)OC1CCCNC1 MC111746 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.18 CC(C)OC1CCNCC1 MC445213 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.18 CC(O)CC1CCNCC1 MC111203 [0,0,0,1,0,0|1,0,0]=2 34 B10R1.18 O=C(O)CC1CCCCC1 CS10565 [0,0,0,1,0,0|1,0,1]=3 35 B10R1.18 O=C(O)CC1CCCNC1 CS15743 [0,0,0,1,0,0|2,0,1]=4 36 B10R1.18 O=C(O)CC1CCNCC1 CS10136 [0,0,0,1,0,0|2,0,1]=4 37 B10R1.18 O=C(O)CC1CCOCC1 CS19613 [0,0,0,1,0,0|2,0,1]=4 38 B10R1.61 CC(C)N1CCNCC1C MC101889 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.61 CN1CCCCC1C(=O)O MC20434 [0,0,0,1,0,0|2,0,1]=4 40 B10R1.61 O=C(O)C1CCCCC1O CS21597 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.64 CN1CCCC1CC(=O)O MC116521 [0,0,0,1,0,0|2,0,1]=4 42 B10R1.66 O=C(Cl)CCC1CCCC1 MC20931 [0,0,0,1,0,0|1,0,2]=4 43 B10R1.66 O=C(O)CCC1CCCN1 MC431310 [0,0,0,1,0,0|2,0,1]=4 44 B10R1.348 O=C(O)C1CCCCCC1 CS20527 [0,0,0,1,0,0|1,0,1]=3 45 B7R0.1 BrCCCCCCBr CS20550 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.1 C#CCCCCCO CS10705 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.1 OCCCCCCBr CS14335 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.4 CC(O)CCCCO MC112436 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.4 CCCCCB(O)O CS22305 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.4 CCCCCC(C)O CS21570 [2,0,0,0,0,0|0,0,0]=2 51 B7R0.4 COCCCC(C)N MC112163 [2,0,0,0,0,0|2,0,0]=4 52 B9R0.5 CCCCCC(C)CCBr MC112329 [1,1,0,0,0,0|1,0,0]=3 53 B9R0.5 CCCCCC(C)CCO MC112328 [1,1,0,0,0,0|0,0,0]=2 54 B9R0.18 CCCCC(N)CCCC MC428161 [1,1,0,0,0,0|0,0,0]=2 55 B9R0.45 C#CCCCCCCCO MC424005 [1,1,0,0,0,0|0,0,1]=3 56 B9R0.45 CCCCCCCCNC CS15827 [1,1,0,0,0,0|0,0,0]=2 57 B9R0.45 ClCCCCCCCCCl CS20556 [1,1,0,0,0,0|1,0,0]=3 58 B9R0.45 OCCCCCCCCBr CS14609 [1,1,0,0,0,0|0,0,0]=2 59 B9R0.45 OCCCCCCCCO CS20567 [1,1,0,0,0,0|0,0,0]=2 60 B9R0.45 OCCOCCOCCO CS20932 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.48 CCCC(C)CCC(=O)O MC112366 [1,1,0,0,0,0|1,0,1]=4 62 B11R0.2 CCCCCCC(C)CC(=O)O MC112332 [0,2,0,0,0,0|1,0,1]=4 63 B11R0.148 CCCCCCC\C=C\C(=O)O MC424008 [0,2,0,0,0,0|1,0,1]=4 64 B11R0.148 O=C(O)CCCCCCCCBr CS21300 [0,2,0,0,0,0|1,0,1]=4 65 B11R0.159 CCCCCCCCS(=O)(=O)O MC32083 [0,2,0,0,0,0|2,0,0]=4 66 B11R0.77 CCCCCC(CC)CC(=O)O MC112331 [0,2,0,0,0,0|1,0,1]=4 67 B11R0.4 CCCCCCCC(=O)OCC CS14101 [0,2,0,0,0,0|0,0,2]=4 68 B9R1.8 BrCCN1CCCCC1 CS16757 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.8 Br[Zn]CC1CCCCC1 MC121338 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.8 CCNC1CCCCC1 CS11778 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.8 CCOC1CCCNC1 CS13869 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.8 CNCC1CCCOC1 MC104397 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.8 COCC1CNCCO1 MC105771 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.8 COCC1CNCCO1 MC444037 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.8 COCC1CNCCO1 MC444190 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.8 ClCCN1CCCCC1 CS19629 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.8 NCCC1CCCCC1 CS18358 [1,0,0,1,0,0|1,0,0]=3 78 B9R1.8 NCCC1CCOCC1 MC20509 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.8 NCCN1CCCCC1 CS16099 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.8 OCCC1CCCCN1 CS13732 [1,0,0,1,0,0|1,0,0]=3 81 B9R1.8 OCCC1CCCCN1 CS17564 [1,0,0,1,0,0|1,0,0]=3 82 B9R1.8 OCCC1CCCCN1 MC445188 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.8 OCCC1CNCCN1 CS16449 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.8 OCCC1CNCCN1 CS16450 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.8 OCCC1CNCCN1 MC113929 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.8 OCCC1CNCCO1 MC107498 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.8 OCCN1CCNCC1 CS13442 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.8 OCCN1CCOCC1 CS11708 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.8 OCCN1CCSCC1 CS18622 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.12 NCCCN1CCCC1 CS20406 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.14 CCN1CCCC1CN CS10140 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.15 CN1CCCCC1CO CS16091 [1,0,0,1,0,0|1,0,0]=3 93 B9R1.15 CN1CCCCC1CO CS16092 [1,0,0,1,0,0|1,0,0]=3 94 B9R1.15 CN1CCCCC1CO CS18858 [1,0,0,1,0,0|1,0,0]=3 95 B9R1.15 NCC1CCNCC1O MC105550 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.15 NCC1CCNCC1O MC105642 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.15 OCC1CCNCC1F MC121266 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.17 OCCCOC1COC1 MC112091 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.33 CN1CCCC1CCN CS17253 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.33 CN1CCCC1CCN CS17948 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.33 CN1CCCC1CCN MC105423 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.89 COC1CCCNCC1 MC101899 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.89 OCC1CCCCNC1 MC105285 [1,0,0,1,0,0|1,0,0]=3 104 B9R1.2 CC1CCCC(CO)N1 MC104326 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.6 O=C(O)C1CCCCC1 CS16426 [1,0,0,1,0,0|1,0,1]=4 106 B9R1.6 OB(O)C1CCCCC1 CS18573 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.13 O=C(O)CC1CCCC1 MC112805 [1,0,0,1,0,0|1,0,1]=4 108 B11R1.157 CC(C)CC1CCCC(=O)C1 MC106121 [0,1,0,1,0,0|0,0,2]=4 109 B11R1.166 CC1CCC(C(C)C)C(O)C1 CS11550 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.166 CC1CCC(C(C)C)C(O)C1 MC41830 [0,1,0,1,0,0|2,0,0]=4 111 B11R1.166 CC1CCC(C(C)C)C(O)C1 MC41843 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.201 CCOC(=O)CC1CC(O)C1 MC102144 [0,1,0,1,0,0|1,0,1]=4 113 B11R1.201 CCOC(=O)CC1CC(O)C1 MC104869 [0,1,0,1,0,0|1,0,1]=4 114 B11R1.201 CCOC(=O)CC1CC(O)C1 MC104870 [0,1,0,1,0,0|1,0,1]=4 115 B11R1.928 NC1(CC(=O)O)CCCCC1 CS12111 [0,1,0,1,0,0|1,0,1]=4 116 B11R1.35 NC(CC1CCCC1)C(=O)O CS11200 [0,1,0,1,0,0|1,0,1]=4 117 B11R1.35 NC(CC1CCCC1)C(=O)O MC436875 [0,1,0,1,0,0|1,0,1]=4 118 B11R1.35 NC(CC1CCCC1)C(=O)O MC439221 [0,1,0,1,0,0|1,0,1]=4 119 B11R1.36 NC(C(=O)O)C1CCCCC1 CS19145 [0,1,0,1,0,0|1,0,1]=4 120 B11R1.36 NC(C(=O)O)C1CCCCC1 CS20539 [0,1,0,1,0,0|1,0,1]=4 121 B11R1.36 NC(C(=O)O)C1CCCCC1 MC436873 [0,1,0,1,0,0|1,0,1]=4 122 B11R2.36 OC1CCC2CNCC2C1 MC105553 [0,0,0,2,0,0|1,0,0]=3 123 B11R2.36 OC1CCC2CNCC2C1 MC105554 [0,0,0,2,0,0|1,0,0]=3 124 B11R2.678 OC1CC2CCCC(C1)N2 MC105383 [0,0,0,2,0,0|1,0,0]=3 125 B11R2.678 OC1CC2CCCC(C1)N2 MC105384 [0,0,0,2,0,0|1,0,0]=3 126 B11R2.678 OC1CC2COCC(C1)N2 MC103730 [0,0,0,2,0,0|2,0,0]=4 127 B11R2.16 N#CC1CC2CCC(C1)O2 MC103912 [0,0,0,2,0,0|1,0,1]=4 128 B11R2.16 NCC1CC2CCC(C1)O2 MC104236 [0,0,0,2,0,0|1,0,0]=3 129 B11R2.16 OCC1CC2CCC(C1)N2 MC103471 [0,0,0,2,0,0|2,0,0]=4 130 B11R2.16 OCC1CC2CCC(C1)N2 MC105628 [0,0,0,2,0,0|2,0,0]=4 131 B11R2.16 OCC1CC2CCC(C1)N2 MC425899 [0,0,0,2,0,0|2,0,0]=4 132 B11R2.352 OC1CCN(C2CNC2)C1 MC115560 [0,0,0,2,0,0|2,0,0]=4 133 B11R2.352 OC1CCN(C2CNC2)C1 MC115561 [0,0,0,2,0,0|2,0,0]=4 134 B11R2.433 NC1CC2CCN(CC2)C1 MC104095 [0,0,0,2,0,0|2,0,0]=4 135 B11R2.703 FC1CC2(CCNCC2)C1 MC104554 [0,0,0,2,0,0|2,0,0]=4 136 B11R2.391 CC1(O)CCC2CCC1N2 MC105541 [0,0,0,2,0,0|1,0,0]=3 137 B11R2.845 O=C(O)C1CC2CCC1C2 MC443337 [0,0,0,2,0,0|1,0,1]=4 138 B11R2.120 CN1C2CCCC1C(O)C2 MC105560 [0,0,0,2,0,0|1,0,0]=3 139 B11R2.432 CN1C2CCC1CC(N)C2 CS11303 [0,0,0,2,0,0|2,0,0]=4 140 B11R2.432 CN1C2CCC1CC(N)C2 MC444505 [0,0,0,2,0,0|2,0,0]=4 141 B11R2.432 CN1C2CCC1CC(O)C2 CS10578 [0,0,0,2,0,0|1,0,0]=3 142 B11R2.432 CN1C2CCC1CC(S)C2 MC443827 [0,0,0,2,0,0|1,1,0]=4 143 B11R2.432 NC1CC2CCC(C1)C2O MC104285 [0,0,0,2,0,0|2,0,0]=4 144 B11R2.1034 C(CCC1CO1)CC2CO2 MC445040 [0,0,0,2,0,0|1,0,0]=3