0 B16R0.274 CCCCCCCCCCCCCCN(C)C SBB059993 [0,0,0,0,0,0|3,0,0]=3 1 B16R0.274 CCCCCCCCCCSCCSC(=N)N SBB013619 [0,0,0,0,0,0|4,0,0]=4 2 B15R0.70 C=CCCCCCCCCCCCCCC SBB008801 [1,0,0,0,0,0|1,0,0]=2 3 B15R0.70 CCCCCCCCCCCCNCCC SBB059837 [1,0,0,0,0,0|2,0,1]=4 4 B15R0.70 CCCCCCCCCCCCNCCO SBB059781 [1,0,0,0,0,0|1,0,1]=3 5 B15R0.70 CCCCCCCCCCCCOCCCl SBB060222 [1,0,0,0,0,0|2,0,1]=4 6 B15R0.70 CCCCCCCCCCCCOCCO SBB060176 [1,0,0,0,0,0|1,0,1]=3 7 B15R0.70 CCCCCCCCCCCCSCCN SBB061579 [1,0,0,0,0,0|2,0,1]=4 8 B15R0.70 CCCCCCCCCCCCSCCO SBB019395 [1,0,0,0,0,0|1,0,1]=3 9 B15R0.70 CCCCCCCCCCCNCCCC SBB059821 [1,0,0,0,0,0|2,0,1]=4 10 B15R0.70 CCCCCCCCCCCNCCCO SBB056516 [1,0,0,0,0,0|1,0,1]=3 11 B15R0.70 [NH2+](CCC)CCCCCCCCCCCC SBB059838 [1,0,0,0,0,0|2,0,1]=4 12 B15R0.70 [NH2+](CCCC)CCCCCCCCCCC SBB061640 [1,0,0,0,0,0|2,0,1]=4 13 B15R0.164 CCCCCCCCCCCCCC(=O)Cl SBB058688 [1,0,0,0,0,0|1,0,0]=2 14 B15R0.164 CCCCCCCCCCCCCC(=O)O SBB060024 [1,0,0,0,0,0|0,0,0]=1 15 B15R0.164 CCCCCCCCCCCCCC(N)=O SBB061050 [1,0,0,0,0,0|1,0,0]=2 16 B15R0.164 CCCCCCCCCCCCNC(N)=O SBB007955 [1,0,0,0,0,0|2,0,0]=3 17 B15R0.164 CCCCCCCCCCCCOC(C)=O SBB060308 [1,0,0,0,0,0|2,0,0]=3 18 B15R0.164 CCCCCCCCCCCCSC(=N)N SBB051618 [1,0,0,0,0,0|3,0,0]=4 19 B15R0.164 CCCCCCCCCCCOCC(=O)O SBB061423 [1,0,0,0,0,0|1,0,0]=2 20 B15R0.164 CCCCCCCCCCSCCC(=O)O SBB001708 [1,0,0,0,0,0|1,0,0]=2 21 B15R0.164 CCCCCCCCSCCCCC(=O)O SBB001710 [1,0,0,0,0,0|1,0,0]=2 22 B15R0.164 CCCCCCCSCCCCCC(=O)O SBB061388 [1,0,0,0,0,0|1,0,0]=2 23 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl SBB058701 [0,1,0,0,0,0|1,0,0]=2 24 B17R0.43 CCCCCCCCCCCCCCCC(=O)O SBB017229 [0,1,0,0,0,0|0,0,0]=1 25 B17R0.43 CCCCCCCCCCCCCCCC(C)=O SBB061612 [0,1,0,0,0,0|1,0,0]=2 26 B17R0.43 CCCCCCCCCCCCCCCC(N)=O SBB061049 [0,1,0,0,0,0|1,0,0]=2 27 B17R0.43 CCCCCCCCCCCCCCOC(C)=O SBB060588 [0,1,0,0,0,0|1,0,0]=2 28 B17R0.43 CCCCCCCCCCCCSCCC(=O)O SBB001709 [0,1,0,0,0,0|0,0,0]=1 29 B17R0.43 CCCCCCCCSCCCCCCC(=O)O SBB001711 [0,1,0,0,0,0|0,0,0]=1 30 B17R0.116 CCCCCCCCCCCOC(=O)CC(C)=O SBB060045 [0,1,0,0,0,0|2,0,1]=4 31 B17R0.195 CCCCCCCCCCCCCCC(Br)CBr SBB060502 [0,1,0,0,0,0|2,0,1]=4 32 B17R0.195 CCCCCCCCCCCCCCC(Cl)CCl SBB060509 [0,1,0,0,0,0|2,0,1]=4 33 B17R0.197 CCCCCCCCCCCCCC[N+](C)(C)C SBB060106 [0,1,0,0,0,0|3,0,0]=4 34 B14R0.392 C=CCCCCCCCCCCCCC SBB015112 [2,0,0,0,0,0|0,0,1]=3 35 B14R0.392 CCCCCCCCCCCCCC#N SBB061688 [2,0,0,0,0,0|1,0,1]=4 36 B14R0.392 CCCCCCCCCCCCCCBr SBB059942 [2,0,0,0,0,0|1,0,0]=3 37 B14R0.392 CCCCCCCCCCCCCCCl SBB059961 [2,0,0,0,0,0|1,0,0]=3 38 B14R0.392 CCCCCCCCCCCCCCN SBB059989 [2,0,0,0,0,0|1,0,0]=3 39 B14R0.392 CCCCCCCCCCCCCCO SBB060166 [2,0,0,0,0,0|0,0,0]=2 40 B14R0.392 CCCCCCCCCCCCCCS SBB060133 [2,0,0,0,0,0|0,1,0]=3 41 B14R0.392 CCCCCCCCCCCCNCC SBB059805 [2,0,0,0,0,0|1,0,1]=4 42 B14R0.392 CCCCCCCCCCCCSCC SBB061292 [2,0,0,0,0,0|1,0,1]=4 43 B14R0.392 CCCCCCCCCCCNCCC SBB059806 [2,0,0,0,0,0|1,0,1]=4 44 B14R0.392 CCCCCCCCCCCOCCO SBB061507 [2,0,0,0,0,0|1,0,0]=3 45 B14R0.392 CCCCCCCCCNCCCCC SBB059807 [2,0,0,0,0,0|1,0,1]=4 46 B14R0.392 CCCCCCCCNCCCCCC SBB059809 [2,0,0,0,0,0|1,0,1]=4 47 B14R0.392 CCCCCCCCOCCOCCO SBB060180 [2,0,0,0,0,0|2,0,0]=4 48 B14R0.392 CCCCCCCCSCCOCCO SBB057123 [2,0,0,0,0,0|2,0,0]=4 49 B14R0.392 CCCCCCCNCCCCCCC SBB059808 [2,0,0,0,0,0|1,0,1]=4 50 B14R0.392 CCCCCCCOCCCCCCC SBB061311 [2,0,0,0,0,0|1,0,1]=4 51 B14R0.392 CCCCCCCSCCCCCCC SBB060113 [2,0,0,0,0,0|1,0,1]=4 52 B14R0.392 [NH2+](C)CCCCCCCCCCCCC SBB059858 [2,0,0,0,0,0|1,0,1]=4 53 B14R0.392 [NH2+](CC)CCCCCCCCCCCC SBB061635 [2,0,0,0,0,0|1,0,1]=4 54 B14R0.392 [NH2+](CCC)CCCCCCCCCCC SBB059842 [2,0,0,0,0,0|1,0,1]=4 55 B14R0.392 [NH2+](CCCCC)CCCCCCCCC SBB059857 [2,0,0,0,0,0|1,0,1]=4 56 B14R0.394 CCCCCCCCCCCCC(=O)O SBB069518 [2,0,0,0,0,0|0,0,0]=2 57 B14R0.394 CCCCCCCCCCCOC(C)=O SBB060587 [2,0,0,0,0,0|2,0,0]=4 58 B14R0.394 NCCCCCCCCCCCC(=O)O SBB058890 [2,0,0,0,0,0|1,0,0]=3 59 B14R0.394 O=C(O)CCCCCCCCCCCBr SBB061618 [2,0,0,0,0,0|1,0,0]=3 60 B14R0.394 O=C(O)CCCCCCCCCCCO SBB061512 [2,0,0,0,0,0|1,0,0]=3 61 B16R0.303 C#CCCCCCCCCCCCCCCC SBB008775 [1,1,0,0,0,0|1,0,1]=4 62 B16R0.303 CCCCCCCCC#CCCCCCCO SBB008792 [1,1,0,0,0,0|0,0,2]=4 63 B16R0.303 CCCCCCCCCCCCCCCC=O SBB062944 [1,1,0,0,0,0|0,0,0]=2 64 B16R0.303 CCCCCCCCCCCCCCCCBr SBB059943 [1,1,0,0,0,0|1,0,1]=4 65 B16R0.303 CCCCCCCCCCCCCCCCCl SBB059962 [1,1,0,0,0,0|1,0,1]=4 66 B16R0.303 CCCCCCCCCCCCCCCCN SBB040889 [1,1,0,0,0,0|1,0,1]=4 67 B16R0.303 CCCCCCCCCCCCCCCCO SBB060167 [1,1,0,0,0,0|0,0,1]=3 68 B16R0.303 CCCCCCCCCCCCCCCCS SBB066559 [1,1,0,0,0,0|0,1,1]=4 69 B16R0.303 CCCCCCCCCCCCNCCC#N SBB059817 [1,1,0,0,0,0|1,0,1]=4 70 B16R0.303 CCCCCCCCCCCCOCCC#N SBB060056 [1,1,0,0,0,0|1,0,1]=4 71 B16R0.303 CCCCCCCCCCCCOCCCN SBB056552 [1,1,0,0,0,0|1,0,1]=4 72 B16R0.303 CCCCCCCCCCOCCOCCO SBB059922 [1,1,0,0,0,0|1,0,1]=4 73 B16R0.303 CCCCCCCCCCSCCOCCO SBB060447 [1,1,0,0,0,0|1,0,1]=4 74 B16R0.303 CCCCCCCCNCCCCCCCC SBB059804 [1,1,0,0,0,0|1,0,1]=4 75 B16R0.303 CCCCCCCCOCCCCCCCC SBB060060 [1,1,0,0,0,0|1,0,1]=4 76 B16R0.303 CCCCCCCCSCCCCCCCC SBB060668 [1,1,0,0,0,0|1,0,1]=4 77 B16R0.303 [NH2+](CCCC)CCCCCCCCCCCC SBB061644 [1,1,0,0,0,0|1,0,1]=4 78 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC SBB060596 [0,2,0,0,0,0|0,0,0]=2 79 B18R0.171 CCCCCCCCCCCCCCOC(=O)CCl SBB060761 [0,2,0,0,0,0|1,0,0]=3 80 B18R0.174 CCCCCCCCCCCCCCC(Br)C(=O)O SBB071635 [0,2,0,0,0,0|0,0,0]=2 81 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O SBB060275 [0,2,0,0,0,0|0,0,0]=2 82 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr SBB066009 [0,2,0,0,0,0|0,0,0]=2 83 B18R0.220 CCCCCCCCCCCCOC(=O)CC(C)=O SBB060046 [0,2,0,0,0,0|1,0,1]=4 84 B18R0.19183 CCCCCCCCCCCCS(=O)CCC(=O)O SBB013598 [0,2,0,0,0,0|0,0,0]=2 85 B16R1.8816 OC1CCCCCCCCCCCCCC1 SBB071438 [1,0,0,1,0,0|0,0,1]=3 86 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 SBB001534 [1,0,0,1,0,0|1,0,0]=3 87 B18R1.1843 O=C1CCCCCCCCCCCCCCC1O SBB060610 [0,1,0,1,0,0|0,0,0]=2