0 B10R0.4 CCCCCCCCB(O)O MC31112 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.4 CCCCCCCCC(C)C CS21688 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.2 CCCCCCCC(=O)Cl MC40496 [1,0,0,0,0,0|1,0,0]=2 3 B9R0.2 CCCCCCOC(=O)Cl CS11449 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.2 CCCSCCCC(=O)O MC112372 [1,0,0,0,0,0|2,0,0]=3 5 B9R0.2 NCCCCCCC(=O)O CS10138 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.2 O=C(O)CCCCCCO CS10820 [1,0,0,0,0,0|2,0,0]=3 7 B9R0.45 C=COOOCCCCC MC438071 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.45 CCCCCCCCNC CS15827 [1,0,0,0,0,0|2,0,0]=3 9 B11R0.2 CCCCCCC(C)CC(=O)O MC112332 [0,1,0,0,0,0|2,0,0]=3 10 B11R0.30 CC(=O)OCCOCOC(C)=O MC446655 [0,1,0,0,0,0|2,0,1]=4 11 B11R0.148 CCCCCCC\C=C\C(=O)O MC424008 [0,1,0,0,0,0|2,0,0]=3 12 B11R0.148 COCCOCCOCC(=O)O MC10459 [0,1,0,0,0,0|3,0,0]=4 13 B11R0.148 O=C(O)CCCCCCCCBr CS21300 [0,1,0,0,0,0|2,0,0]=3 14 B11R0.159 CCCCCCCCS(=O)(=O)Cl MC32081 [0,1,0,0,0,0|3,0,0]=4 15 B11R0.159 CCCCCCCCS(=O)(=O)F MC32082 [0,1,0,0,0,0|3,0,0]=4 16 B11R0.159 CCCCCCCCS(=O)(=O)O MC32083 [0,1,0,0,0,0|3,0,0]=4 17 B11R0.159 CCCCCCCCS(=O)(=O)[O-] MC32084 [0,1,0,0,0,0|3,0,0]=4 18 B11R0.159 CCCCCCCCS(=O)(=O)[O-] MC445028 [0,1,0,0,0,0|3,0,0]=4 19 B11R0.159 CCCCCCCCS(N)(=O)=O MC32085 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.91 O=C(O)C#CC1CCCCC1 CS16585 [0,0,0,1,0,0|2,0,1]=4 21 B8R0.4 CCCCNCCCC CS11229 [2,0,0,0,0,0|1,0,1]=4 22 B8R0.4 COCCOCCOC MC41925 [2,0,0,0,0,0|2,0,0]=4 23 B8R0.7 CSCCCCC(=O)O MC112374 [2,0,0,0,0,0|2,0,0]=4 24 B8R0.7 NCCCCCC(=O)O CS13381 [2,0,0,0,0,0|2,0,0]=4 25 B8R0.7 O=C(O)CCCCCBr CS18405 [2,0,0,0,0,0|2,0,0]=4 26 B10R0.6 CCCCCC(C)CC(=O)O MC112327 [1,1,0,0,0,0|1,0,0]=3 27 B10R0.22 CCCCCCCS(=O)(=O)[O-] MC445021 [1,1,0,0,0,0|2,0,0]=4 28 B10R0.22 CCCCCCCS(=O)(=O)[O-] MC445027 [1,1,0,0,0,0|2,0,0]=4 29 B10R0.74 CCCCCCCC(=O)NO CS11097 [1,1,0,0,0,0|1,0,0]=3 30 B10R0.74 COC(=O)CCCCCCN CS14288 [1,1,0,0,0,0|1,0,0]=3 31 B10R0.75 CNCCCCC(N)C(=O)O MC437873 [1,1,0,0,0,0|2,0,0]=4 32 B10R0.71 C=CCCCCCCCCBr CS20576 [1,1,0,0,0,0|1,0,1]=4 33 B10R0.71 C=COOOCCCCCC MC437734 [1,1,0,0,0,0|1,0,1]=4 34 B12R0.113 CCCCCCC(C)OC(=O)CCl MC114125 [0,2,0,0,0,0|0,0,0]=2 35 B12R0.202 CCCCCCC(CC)CC(=O)O MC112336 [0,2,0,0,0,0|2,0,0]=4 36 B12R0.1 CCCCCCCCS(=O)CCO MC437764 [0,2,0,0,0,0|2,0,0]=4 37 B12R0.1 CCOC(=O)CCCCCCCBr CS14864 [0,2,0,0,0,0|2,0,0]=4 38 B12R0.251 CCCCCCCCC(N)C(=O)O MC428037 [0,2,0,0,0,0|2,0,0]=4 39 B12R0.234 C=CCCCCCCCCC(=O)O MC41958 [0,2,0,0,0,0|2,0,0]=4 40 B12R0.234 O=C(O)\C=C\CCCCCCCO CS13683 [0,2,0,0,0,0|2,0,0]=4 41 B10R1.10 CCCC1CCCC(=O)C1 MC106166 [1,0,0,1,0,0|0,0,0]=2 42 B10R1.10 CCCC1CCCC(O)C1 MC106169 [1,0,0,1,0,0|0,0,2]=4 43 B10R1.10 COCC1CCCC(=O)C1 MC106177 [1,0,0,1,0,0|1,0,0]=3 44 B10R1.18 O=C(O)CC1CCCCC1 CS10565 [1,0,0,1,0,0|1,0,0]=3 45 B10R1.18 O=C(O)CC1CCCNC1 CS15743 [1,0,0,1,0,0|2,0,0]=4 46 B10R1.18 O=C(O)CC1CCNCC1 CS10136 [1,0,0,1,0,0|2,0,0]=4 47 B10R1.18 O=C(O)CC1CCOCC1 CS19613 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.61 CC(=O)C1CCCCC1=O CS21211 [1,0,0,1,0,0|1,0,1]=4 49 B10R1.61 CN1CCCCC1C(=O)O MC20434 [1,0,0,1,0,0|2,0,0]=4 50 B10R1.61 O=C(O)C1CCCCC1O CS21597 [1,0,0,1,0,0|2,0,0]=4 51 B10R1.64 CN1CCCC1CC(=O)O MC116521 [1,0,0,1,0,0|2,0,0]=4 52 B10R1.66 O=C(Cl)CCC1CCCC1 MC20931 [1,0,0,1,0,0|1,0,0]=3 53 B10R1.66 O=C(O)CCC1CCCN1 MC431310 [1,0,0,1,0,0|2,0,0]=4 54 B10R1.348 O=C(O)C1CCCCCC1 CS20527 [1,0,0,1,0,0|1,0,0]=3 55 B10R1.17 CCCCC1CCNCC1 CS14224 [1,0,0,1,0,0|1,0,1]=4 56 B10R1.17 CCCCN1CCOCC1 CS11768 [1,0,0,1,0,0|1,0,1]=4 57 B10R1.17 CCNCC1CCCCC1 MC431466 [1,0,0,1,0,0|1,0,1]=4 58 B12R1.107 CC(CC(=O)O)C1CCCCC1 MC112324 [0,1,0,1,0,0|2,0,0]=4 59 B12R1.477 COC(=O)CCNC1CCCC1 CS13919 [0,1,0,1,0,0|2,0,0]=4 60 B12R1.43 NC(=O)C(N)CC1CCCCC1 MC439318 [0,1,0,1,0,0|2,0,0]=4 61 B12R1.43 NC(CC1CCCCC1)C(=O)O CS21303 [0,1,0,1,0,0|2,0,0]=4 62 B12R1.43 NC(CC1CCCCC1)C(=O)O MC436871 [0,1,0,1,0,0|2,0,0]=4 63 B12R1.43 NC(CC1CCCCC1)C(=O)O MC436872 [0,1,0,1,0,0|2,0,0]=4 64 B12R1.59 CCC1CCC(CCC(=O)O)C1 CS18487 [0,1,0,1,0,0|2,0,0]=4 65 B12R1.75 COC1CCCNC1CC(C)=O MC445565 [0,1,0,1,0,0|2,0,0]=4 66 B12R2.24 O=C1CCN2CCCCC2C1 MC107478 [0,0,0,2,0,0|2,0,0]=4 67 B12R2.24 O=C1CN2CCCCC2CN1 MC107480 [0,0,0,2,0,0|2,0,0]=4 68 B12R2.24 O=C1CNC2CCCCC2N1 MC442277 [0,0,0,2,0,0|2,0,0]=4 69 B12R2.24 O=C1CNC2CCCCC2N1 MC442278 [0,0,0,2,0,0|2,0,0]=4 70 B12R2.2313 O=C1CC(C2CNC2)CCO1 MC121208 [0,0,0,2,0,0|1,0,0]=3 71 B12R2.5121 O=C1NC2(CCNC2)CCO1 MC102344 [0,0,0,2,0,0|2,0,0]=4 72 B12R2.5121 O=C1NC2(CCNC2)CCO1 MC105048 [0,0,0,2,0,0|2,0,0]=4 73 B12R2.2918 O=C1CC2(CCCNC2)CN1 MC104482 [0,0,0,2,0,0|2,0,0]=4 74 B12R2.2918 O=C1CC2(CCNCC2)CN1 CS14933 [0,0,0,2,0,0|2,0,0]=4 75 B12R2.2918 O=C1NC2(CCNCC2)CO1 MC106815 [0,0,0,2,0,0|2,0,0]=4 76 B12R2.3190 CC(=O)N1CC2CCNCC21 MC105487 [0,0,0,2,0,0|2,0,0]=4 77 B12R2.630 CN1C2CCC1CC(=O)NC2 MC115596 [0,0,0,2,0,0|2,0,0]=4 78 B12R2.229 O=C1CCNCC2CCCN12 MC104229 [0,0,0,2,0,0|2,0,0]=4