0 B12R2.10 C1CCC(C1)C2CCCC2=O C107526 [0,0,0,0,0,0|0,0,0]=0 1 B13R2.3042 CC1CCC(P1C2CCCC2)C B282454 [0,1,0,0,0,0|2,0,1]=4 2 B11R1.30 CCOC(=O)CC1CCCO1 E156287 [0,0,1,0,0,0|2,0,0]=3 3 B11R1.30 CCOC(=O)CC1CCNC1 E194775 [0,0,1,0,0,0|2,0,0]=3 4 B11R1.30 CCOC(=O)CC1CCNC1 E586999 [0,0,1,0,0,0|2,0,0]=3 5 B11R1.180 CCCCCC1=CCCC1=O P160131 [0,0,1,0,0,0|0,0,2]=3 6 B11R1.199 CCOC(=O)C1CCCC1=O E100850 [0,0,1,0,0,0|2,0,1]=4 7 B13R3.102 C1CC2C(C1)C3CC2CC3=O T161471 [0,0,0,1,0,0|0,0,0]=1 8 B13R2.15 C1CCC(CC1)N2CCCC2=O C102526 [0,0,0,0,0,1|1,0,0]=2 9 B10R1.21 C1CCN(C1)CCCCN P124719 [1,0,1,0,0,0|2,0,0]=4 10 B10R1.23 C1CCC(C1)C(C(=O)O)N L133201 [1,0,1,0,0,0|2,0,0]=4 11 B10R1.29 C1CC(=O)N(C1)CCCN A343191 [1,0,1,0,0,0|2,0,0]=4 12 B10R1.29 C1CC(=O)N(C1)CCCO H124556 [1,0,1,0,0,0|2,0,0]=4 13 B10R1.29 CCCCN1CCCC1=O B124554 [1,0,1,0,0,0|1,0,0]=3 14 B12R1.255 C1CSSC1CCCCC(=O)N L124749 [0,1,1,0,0,0|2,0,0]=4 15 B12R1.255 C1CSSC1CCCCC(=O)O D118666 [0,1,1,0,0,0|2,0,0]=4 16 B12R1.255 C1CSSC1CCCCC(=O)O D420534 [0,1,1,0,0,0|2,0,0]=4 17 B12R1.255 C1CSSC1CCCCC(=O)O L124685 [0,1,1,0,0,0|2,0,0]=4 18 B12R1.255 C1CSSC1CCCCC(=O)O R420885 [0,1,1,0,0,0|2,0,0]=4 19 B12R1.255 C1CSSC1CCCCC(=O)O T106640 [0,1,1,0,0,0|2,0,0]=4 20 B12R1.255 C1CSSC1CCCCC(=O)[O-] S352645 [0,1,1,0,0,0|2,0,0]=4 21 B12R1.318 CCOC(=O)CC1CCCC1=O E135353 [0,1,1,0,0,0|1,0,1]=4 22 B12R1.567 CCCCCC1=C(CCC1=O)C D154787 [0,1,1,0,0,0|0,0,2]=4 23 B10R0.1 CCCCCCC(=O)CCC D154230 [0,0,2,0,0,0|0,0,0]=2 24 B10R0.1 CCCCCCC(=O)OCC E100047 [0,0,2,0,0,0|1,0,0]=3 25 B10R0.1 CCCCCCC(=O)OCC E305454 [0,0,2,0,0,0|1,0,0]=3 26 B10R0.1 CCCCCCC(CCC)O D154356 [0,0,2,0,0,0|0,0,2]=4 27 B10R0.1 CCCCCOC(=O)CCC A111359 [0,0,2,0,0,0|1,0,0]=3 28 B10R0.1 CCOC(=O)CCCCCBr E156144 [0,0,2,0,0,0|2,0,0]=4 29 B10R0.1 CCOC(=O)CCCCCN E193000 [0,0,2,0,0,0|2,0,0]=4 30 B10R0.1 CCOC(=O)CCCCCO E156101 [0,0,2,0,0,0|2,0,0]=4 31 B10R0.1 CCOCCCC(=O)OCC E341712 [0,0,2,0,0,0|2,0,0]=4 32 B10R0.71 C=CCCCCCCCCBr B133959 [0,0,2,0,0,0|2,0,0]=4 33 B10R0.71 C=CCCCCCCCCO D155265 [0,0,2,0,0,0|2,0,0]=4 34 B10R0.71 CCCCCCCC=CC=O D117855 [0,0,2,0,0,0|0,0,2]=4 35 B10R0.71 CCCCCCCCCC#N D154472 [0,0,2,0,0,0|1,0,1]=4 36 B10R0.71 CCCCCCCCCC=C U162898 [0,0,2,0,0,0|1,0,0]=3 37 B10R0.71 CCCCCCCCCC=C U162902 [0,0,2,0,0,0|1,0,0]=3 38 B10R0.71 CCCCCCCCCC=C U162903 [0,0,2,0,0,0|1,0,0]=3 39 B10R0.71 CCCCCCCCCC=O D105551 [0,0,2,0,0,0|0,0,0]=2 40 B10R0.71 CCCCCCCCCCBr B105788 [0,0,2,0,0,0|1,0,1]=4 41 B10R0.71 CCCCCCCCCCC N431487 [0,0,2,0,0,0|1,0,1]=4 42 B10R0.71 CCCCCCCCCCC U108239 [0,0,2,0,0,0|1,0,1]=4 43 B10R0.71 CCCCCCCCCCC U108240 [0,0,2,0,0,0|1,0,1]=4 44 B10R0.71 CCCCCCCCCCC U108241 [0,0,2,0,0,0|1,0,1]=4 45 B10R0.71 CCCCCCCCCCC U110889 [0,0,2,0,0,0|1,0,1]=4 46 B10R0.71 CCCCCCCCCCCl C104797 [0,0,2,0,0,0|1,0,1]=4 47 B10R0.71 CCCCCCCCCCI I157555 [0,0,2,0,0,0|1,0,1]=4 48 B10R0.71 CCCCCCCCCCN D107311 [0,0,2,0,0,0|1,0,1]=4 49 B10R0.71 CCCCCCCCCCN D292748 [0,0,2,0,0,0|1,0,1]=4 50 B10R0.71 CCCCCCCCCCN D492584 [0,0,2,0,0,0|1,0,1]=4 51 B10R0.71 CCCCCCCCCCO D103414 [0,0,2,0,0,0|0,0,2]=4 52 B10R0.71 CCCCCCCCCCO D103415 [0,0,2,0,0,0|0,0,2]=4 53 B10R0.71 CCCCCCCCCCS D102323 [0,0,2,0,0,0|0,1,1]=4 54 B10R0.71 CCCCCCCCN=C=O O120151 [0,0,2,0,0,0|1,0,1]=4 55 B10R0.71 CCCCCCCCNC=O N159413 [0,0,2,0,0,0|1,0,0]=3 56 B10R0.71 CCCCCCCCOC=O O302220 [0,0,2,0,0,0|1,0,0]=3 57 B10R0.2 CCCC(CC(=O)OCC)O E117524 [0,0,2,0,0,0|2,0,0]=4 58 B10R0.83 CCCCCC(C(=O)NC)N P303210 [0,0,2,0,0,0|2,0,0]=4 59 B12R2.8 C1CC2(CCNC2=O)CNC1 D179902 [0,0,1,1,0,0|2,0,0]=4 60 B12R2.8 C1CC2(CCNC2=O)CNC1 D187775 [0,0,1,1,0,0|2,0,0]=4 61 B12R3.1615 C1CC2C3CCC(C3)C2C1 E156267 [1,0,0,1,0,0|0,0,1]=3 62 B12R3.1615 C1CC2C3CCC(C3)C2C1 E156269 [1,0,0,1,0,0|0,0,1]=3 63 B14R3.6769 C1CC2CC1C3C2C(=O)NC3=O A191020 [0,1,0,1,0,0|1,0,1]=4 64 B14R3.6769 C1CC2CC1C3C2C(=O)NC3=O N303331 [0,1,0,1,0,0|1,0,1]=4 65 B12R1.8 CCCCCCC1CCCCC1 H157209 [0,0,1,0,0,1|1,0,1]=4 66 B12R1.32 CCCC(=O)OC1CCCCC1 C154073 [0,0,1,0,0,1|1,0,0]=3 67 B12R1.32 CCOC(=O)CC1CCCCC1 E156524 [0,0,1,0,0,1|1,0,0]=3 68 B12R1.32 CCOC(=O)CC1CCCNC1 E167800 [0,0,1,0,0,1|1,0,0]=3 69 B12R1.32 CCOC(=O)CC1CCNCC1 E191463 [0,0,1,0,0,1|1,0,0]=3 70 B12R1.32 CCOC(=O)CN1CCCCC1 E168907 [0,0,1,0,0,1|2,0,0]=4 71 B12R1.32 CCOC(=O)CN1CCNCC1 N137591 [0,0,1,0,0,1|2,0,0]=4 72 B12R1.34 COC(=O)C(C1CCCCC1)N H167279 [0,0,1,0,0,1|2,0,0]=4 73 B12R1.34 COC(=O)C(C1CCCCC1)N M134297 [0,0,1,0,0,1|2,0,0]=4 74 B12R1.28 CC=CCCC1CCCC(=O)O1 J463459 [0,0,1,0,0,1|0,0,2]=4 75 B12R1.28 CCCCCC1CCCC(=O)O1 D101425 [0,0,1,0,0,1|0,0,0]=2 76 B14R2.24 C1CCC(=CC1)C2CCCCC2=O C121854 [0,0,0,0,0,2|0,0,1]=3 77 B14R2.24 C1CCC(CC1)C2CCCCC2=O C153780 [0,0,0,0,0,2|0,0,0]=2