0 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl SBB058701 [0,0,0,0,0,0|1,0,0]=1 1 B17R0.43 CCCCCCCCCCCCCCCC(=O)O SBB017229 [0,0,0,0,0,0|0,0,0]=0 2 B17R0.43 CCCCCCCCCCCCCCCC(C)=O SBB061612 [0,0,0,0,0,0|1,0,0]=1 3 B17R0.43 CCCCCCCCCCCCCCCC(N)=O SBB061049 [0,0,0,0,0,0|1,0,0]=1 4 B17R0.43 CCCCCCCCCCCCCCOC(C)=O SBB060588 [0,0,0,0,0,0|2,0,0]=2 5 B17R0.43 CCCCCCCCCCCCSCCC(=O)O SBB001709 [0,0,0,0,0,0|1,0,0]=1 6 B17R0.43 CCCCCCCCSCCCCCCC(=O)O SBB001711 [0,0,0,0,0,0|1,0,0]=1 7 B16R0.274 CCCCCCCCCCCCCCN(C)C SBB059993 [1,0,0,0,0,0|3,0,0]=4 8 B16R0.303 C#CCCCCCCCCCCCCCCC SBB008775 [1,0,0,0,0,0|1,0,1]=3 9 B16R0.303 CCCCCCCCC#CCCCCCCO SBB008792 [1,0,0,0,0,0|0,0,3]=4 10 B16R0.303 CCCCCCCCCCCCCCCC=O SBB062944 [1,0,0,0,0,0|0,0,0]=1 11 B16R0.303 CCCCCCCCCCCCCCCCBr SBB059943 [1,0,0,0,0,0|1,0,1]=3 12 B16R0.303 CCCCCCCCCCCCCCCCCl SBB059962 [1,0,0,0,0,0|1,0,1]=3 13 B16R0.303 CCCCCCCCCCCCCCCCN SBB040889 [1,0,0,0,0,0|1,0,1]=3 14 B16R0.303 CCCCCCCCCCCCCCCCO SBB060167 [1,0,0,0,0,0|0,0,1]=2 15 B16R0.303 CCCCCCCCCCCCCCCCS SBB066559 [1,0,0,0,0,0|0,1,1]=3 16 B16R0.303 CCCCCCCCCCCCNCCC#N SBB059817 [1,0,0,0,0,0|2,0,1]=4 17 B16R0.303 CCCCCCCCCCCCOCCC#N SBB060056 [1,0,0,0,0,0|2,0,1]=4 18 B16R0.303 CCCCCCCCCCCCOCCCN SBB056552 [1,0,0,0,0,0|2,0,1]=4 19 B16R0.303 CCCCCCCCCCOCCOCCO SBB059922 [1,0,0,0,0,0|2,0,1]=4 20 B16R0.303 CCCCCCCCCCSCCOCCO SBB060447 [1,0,0,0,0,0|2,0,1]=4 21 B16R0.303 CCCCCCCCNCCCCCCCC SBB059804 [1,0,0,0,0,0|2,0,1]=4 22 B16R0.303 CCCCCCCCOCCCCCCCC SBB060060 [1,0,0,0,0,0|2,0,1]=4 23 B16R0.303 CCCCCCCCSCCCCCCCC SBB060668 [1,0,0,0,0,0|2,0,1]=4 24 B16R0.303 [NH2+](CCCC)CCCCCCCCCCCC SBB061644 [1,0,0,0,0,0|2,0,1]=4 25 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC SBB060596 [0,1,0,0,0,0|0,0,0]=1 26 B18R0.171 CCCCCCCCCCCCCCOC(=O)CCl SBB060761 [0,1,0,0,0,0|2,0,0]=3 27 B18R0.174 CCCCCCCCCCCCCCC(Br)C(=O)O SBB071635 [0,1,0,0,0,0|0,0,0]=1 28 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O SBB060275 [0,1,0,0,0,0|0,0,0]=1 29 B18R0.176 CCCCCCCCCCCCCCCCN(C)C SBB060245 [0,1,0,0,0,0|3,0,0]=4 30 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr SBB066009 [0,1,0,0,0,0|0,0,0]=1 31 B18R0.220 CCCCCCCCCCCCOC(=O)CC(C)=O SBB060046 [0,1,0,0,0,0|2,0,1]=4 32 B18R0.19183 CCCCCCCCCCCCS(=O)CCC(=O)O SBB013598 [0,1,0,0,0,0|1,0,0]=2 33 B15R0.70 C=CCCCCCCCCCCCCCC SBB008801 [2,0,0,0,0,0|0,0,1]=3 34 B15R0.70 CCCCCCCCCCCCNCCC SBB059837 [2,0,0,0,0,0|1,0,1]=4 35 B15R0.70 CCCCCCCCCCCCNCCO SBB059781 [2,0,0,0,0,0|1,0,0]=3 36 B15R0.70 CCCCCCCCCCCCOCCCl SBB060222 [2,0,0,0,0,0|2,0,0]=4 37 B15R0.70 CCCCCCCCCCCCOCCO SBB060176 [2,0,0,0,0,0|1,0,0]=3 38 B15R0.70 CCCCCCCCCCCCSCCN SBB061579 [2,0,0,0,0,0|2,0,0]=4 39 B15R0.70 CCCCCCCCCCCCSCCO SBB019395 [2,0,0,0,0,0|1,0,0]=3 40 B15R0.70 CCCCCCCCCCCNCCCC SBB059821 [2,0,0,0,0,0|1,0,1]=4 41 B15R0.70 CCCCCCCCCCCNCCCO SBB056516 [2,0,0,0,0,0|1,0,0]=3 42 B15R0.70 [NH2+](CCC)CCCCCCCCCCCC SBB059838 [2,0,0,0,0,0|1,0,1]=4 43 B15R0.70 [NH2+](CCCC)CCCCCCCCCCC SBB061640 [2,0,0,0,0,0|1,0,1]=4 44 B15R0.164 CCCCCCCCCCCCCC(=O)Cl SBB058688 [2,0,0,0,0,0|1,0,0]=3 45 B15R0.164 CCCCCCCCCCCCCC(=O)O SBB060024 [2,0,0,0,0,0|0,0,0]=2 46 B15R0.164 CCCCCCCCCCCCCC(N)=O SBB061050 [2,0,0,0,0,0|1,0,0]=3 47 B15R0.164 CCCCCCCCCCCCNC(N)=O SBB007955 [2,0,0,0,0,0|2,0,0]=4 48 B15R0.164 CCCCCCCCCCCCOC(C)=O SBB060308 [2,0,0,0,0,0|2,0,0]=4 49 B15R0.164 CCCCCCCCCCCOCC(=O)O SBB061423 [2,0,0,0,0,0|1,0,0]=3 50 B15R0.164 CCCCCCCCCCSCCC(=O)O SBB001708 [2,0,0,0,0,0|1,0,0]=3 51 B15R0.164 CCCCCCCCSCCCCC(=O)O SBB001710 [2,0,0,0,0,0|1,0,0]=3 52 B15R0.164 CCCCCCCSCCCCCC(=O)O SBB061388 [2,0,0,0,0,0|1,0,0]=3 53 B17R0.117 C=CCCCCCCCCCCCCCCCC SBB009114 [1,1,0,0,0,0|1,0,0]=3 54 B17R0.117 CCCCCCCCCCCCCCCCCC SBB061159 [1,1,0,0,0,0|1,0,1]=4 55 B17R0.117 CCCCCCCCCCCCCCCCNC SBB059824 [1,1,0,0,0,0|1,0,1]=4 56 B17R0.117 CCCCCCCCCCCCCCNCCO SBB059827 [1,1,0,0,0,0|0,0,1]=3 57 B17R0.117 CCCCCCCCCCCCCCOCCO SBB060177 [1,1,0,0,0,0|0,0,1]=3 58 B17R0.117 OCCCCCCCCCCCCCCCCO SBB071703 [1,1,0,0,0,0|0,0,1]=3 59 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC SBB061075 [0,2,0,0,0,0|0,0,0]=2 60 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O SBB069546 [0,2,0,0,0,0|0,0,0]=2 61 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O SBB060276 [0,2,0,0,0,0|0,0,0]=2 62 B19R0.149 CCCCCCCCCCCCCCCCCC(N)=O SBB061048 [0,2,0,0,0,0|1,0,0]=3 63 B19R0.149 CCCCCCCCCCCCCCCCOC(C)=O SBB061100 [0,2,0,0,0,0|1,0,0]=3 64 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O SBB058695 [0,2,0,0,0,0|0,0,0]=2 65 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(=O)O SBB061666 [0,2,0,0,0,0|0,0,2]=4 66 B19R0.443 O=C(O)CCCCCCCCCCCCCCC(=O)O SBB067243 [0,2,0,0,0,0|0,0,1]=3