0 B15R0.164 CCCCCCCCCCCCCC(=O)Cl SBB058688 [0,0,0,0,0,0|1,0,0]=1 1 B15R0.164 CCCCCCCCCCCCCC(=O)O SBB060024 [0,0,0,0,0,0|1,0,0]=1 2 B15R0.164 CCCCCCCCCCCCCC(N)=O SBB061050 [0,0,0,0,0,0|1,0,0]=1 3 B15R0.164 CCCCCCCCCCCCNC(N)=O SBB007955 [0,0,0,0,0,0|2,0,0]=2 4 B15R0.164 CCCCCCCCCCCCOC(C)=O SBB060308 [0,0,0,0,0,0|1,0,0]=1 5 B15R0.164 CCCCCCCCCCCCSC(=N)N SBB051618 [0,0,0,0,0,0|3,0,0]=3 6 B15R0.164 CCCCCCCCCCCOCC(=O)O SBB061423 [0,0,0,0,0,0|2,0,0]=2 7 B15R0.164 CCCCCCCCCCSCCC(=O)O SBB001708 [0,0,0,0,0,0|2,0,0]=2 8 B15R0.164 CCCCCCCCSCCCCC(=O)O SBB001710 [0,0,0,0,0,0|2,0,0]=2 9 B15R0.164 CCCCCCCSCCCCCC(=O)O SBB061388 [0,0,0,0,0,0|2,0,0]=2 10 B14R0.392 C=CCCCCCCCCCCCCC SBB015112 [1,0,0,0,0,0|0,0,1]=2 11 B14R0.392 CCCCCCCCCCCCCC#N SBB061688 [1,0,0,0,0,0|1,0,1]=3 12 B14R0.392 CCCCCCCCCCCCCCBr SBB059942 [1,0,0,0,0,0|1,0,1]=3 13 B14R0.392 CCCCCCCCCCCCCCCl SBB059961 [1,0,0,0,0,0|1,0,1]=3 14 B14R0.392 CCCCCCCCCCCCCCN SBB059989 [1,0,0,0,0,0|1,0,1]=3 15 B14R0.392 CCCCCCCCCCCCCCO SBB060166 [1,0,0,0,0,0|0,0,2]=3 16 B14R0.392 CCCCCCCCCCCCCCS SBB060133 [1,0,0,0,0,0|0,1,1]=3 17 B14R0.392 CCCCCCCCCCCCN=C=S SBB061301 [1,0,0,0,0,0|1,1,1]=4 18 B14R0.392 CCCCCCCCCCCCNCC SBB059805 [1,0,0,0,0,0|1,0,1]=3 19 B14R0.392 CCCCCCCCCCCCSCC SBB061292 [1,0,0,0,0,0|1,0,1]=3 20 B14R0.392 CCCCCCCCCCCNCCC SBB059806 [1,0,0,0,0,0|1,0,1]=3 21 B14R0.392 CCCCCCCCCCCOCCO SBB061507 [1,0,0,0,0,0|1,0,2]=4 22 B14R0.392 CCCCCCCCCCOCCC#N SBB060055 [1,0,0,0,0,0|2,0,1]=4 23 B14R0.392 CCCCCCCCCNCCCCC SBB059807 [1,0,0,0,0,0|1,0,1]=3 24 B14R0.392 CCCCCCCCNCCCCCC SBB059809 [1,0,0,0,0,0|1,0,1]=3 25 B14R0.392 CCCCCCCNCCCCCCC SBB059808 [1,0,0,0,0,0|1,0,1]=3 26 B14R0.392 CCCCCCCOCCCCCCC SBB061311 [1,0,0,0,0,0|1,0,1]=3 27 B14R0.392 CCCCCCCSCCCCCCC SBB060113 [1,0,0,0,0,0|1,0,1]=3 28 B14R0.392 [NH2+](C)CCCCCCCCCCCCC SBB059858 [1,0,0,0,0,0|1,0,0]=2 29 B14R0.392 [NH2+](CC)CCCCCCCCCCCC SBB061635 [1,0,0,0,0,0|1,0,1]=3 30 B14R0.392 [NH2+](CCC)CCCCCCCCCCC SBB059842 [1,0,0,0,0,0|1,0,1]=3 31 B14R0.392 [NH2+](CCCCC)CCCCCCCCC SBB059857 [1,0,0,0,0,0|1,0,1]=3 32 B14R0.394 CCCCCCCCCCCCC(=O)O SBB069518 [1,0,0,0,0,0|1,0,0]=2 33 B14R0.394 CCCCCCCCCCCCN(C)C SBB059992 [1,0,0,0,0,0|2,0,0]=3 34 B14R0.394 CCCCCCCCCCCOC(C)=O SBB060587 [1,0,0,0,0,0|1,0,0]=2 35 B14R0.394 NCCCCCCCCCCCC(=O)O SBB058890 [1,0,0,0,0,0|2,0,0]=3 36 B14R0.394 O=C(O)CCCCCCCCCCCBr SBB061618 [1,0,0,0,0,0|2,0,0]=3 37 B14R0.394 O=C(O)CCCCCCCCCCCO SBB061512 [1,0,0,0,0,0|2,0,0]=3 38 B14R0.394 [NH+](C)(C)CCCCCCCCCCCC SBB061538 [1,0,0,0,0,0|2,0,0]=3 39 B16R0.221 CCCCCCCCCCCCCC(=O)NN SBB056978 [0,1,0,0,0,0|1,0,0]=2 40 B16R0.221 CCCCCCCCCCCCCC(=O)OC SBB058686 [0,1,0,0,0,0|0,0,0]=1 41 B16R0.221 CCCCCCCCCCCCNC(=O)CCl SBB056860 [0,1,0,0,0,0|1,0,0]=2 42 B16R0.221 CCCCCCCCCCCCOC(=O)CBr SBB060036 [0,1,0,0,0,0|1,0,0]=2 43 B16R0.221 CCCCCCCCCCCCOC(=O)CCl SBB060035 [0,1,0,0,0,0|1,0,0]=2 44 B16R0.274 CCCCCCCCCCCCCCN(C)C SBB059993 [0,1,0,0,0,0|2,0,0]=3 45 B16R0.274 CCCCCCCCCCSCCSC(=N)N SBB013619 [0,1,0,0,0,0|3,0,0]=4 46 B16R0.302 CCCCCCCCCCOC(=O)CC(C)=O SBB060044 [0,1,0,0,0,0|1,0,1]=3 47 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] SBB060993 [0,1,0,0,0,0|3,0,0]=4 48 B16R1.8816 OC1CCCCCCCCCCCCCC1 SBB071438 [0,0,0,1,0,0|0,0,2]=3 49 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 SBB001534 [0,0,0,1,0,0|0,0,0]=1 50 B13R0.336 BrCCCCCCCCCCCCBr SBB060824 [2,0,0,0,0,0|2,0,0]=4 51 B13R0.336 C=CCCCCCCCCCCCC SBB008940 [2,0,0,0,0,0|0,0,1]=3 52 B13R0.336 C=CCSCCCCCCCCCC SBB061595 [2,0,0,0,0,0|1,0,1]=4 53 B13R0.336 CCCCCCCCCCCCC#N SBB016935 [2,0,0,0,0,0|1,0,1]=4 54 B13R0.336 CCCCCCCCCCCCCCl SBB059960 [2,0,0,0,0,0|1,0,0]=3 55 B13R0.336 CCCCCCCCCCCCCN SBB070384 [2,0,0,0,0,0|1,0,0]=3 56 B13R0.336 CCCCCCCCCCCCCO SBB080806 [2,0,0,0,0,0|0,0,1]=3 57 B13R0.336 CCCCCCCCCCNCCC SBB059835 [2,0,0,0,0,0|1,0,0]=3 58 B13R0.336 CCCCCCCCCCNCCO SBB059780 [2,0,0,0,0,0|1,0,1]=4 59 B13R0.336 CCCCCCCCCCOCCCl SBB060221 [2,0,0,0,0,0|2,0,0]=4 60 B13R0.336 CCCCCCCCCCOCCO SBB060175 [2,0,0,0,0,0|1,0,1]=4 61 B13R0.336 CCCCCCCCCCSCCO SBB019381 [2,0,0,0,0,0|1,0,1]=4 62 B13R0.336 CCCCCCSSCCCCCC SBB061209 [2,0,0,0,0,0|2,0,0]=4 63 B13R0.336 ClCCCCCCCCCCCCCl SBB060823 [2,0,0,0,0,0|2,0,0]=4 64 B13R0.336 N(C)CCCCCCCCCCCC SBB058820 [2,0,0,0,0,0|1,0,0]=3 65 B13R0.336 NCCCCCCCCCCCCN SBB058723 [2,0,0,0,0,0|2,0,0]=4 66 B13R0.336 OCCCCCCCCCCCCO SBB060740 [2,0,0,0,0,0|1,0,1]=4 67 B13R0.336 [NH2+](CCCC)CCCCCCCCC SBB061638 [2,0,0,0,0,0|1,0,0]=3 68 B13R0.54 CCCCCCCCCCCC(=O)Cl SBB060016 [2,0,0,0,0,0|1,0,0]=3 69 B13R0.54 CCCCCCCCCCCC(=O)O SBB060023 [2,0,0,0,0,0|1,0,0]=3 70 B13R0.54 CCCCCCCCCCCC(N)=O SBB061051 [2,0,0,0,0,0|1,0,0]=3 71 B13R0.54 CCCCCCCCCCCN(C)C SBB061365 [2,0,0,0,0,0|2,0,0]=4 72 B13R0.54 CCCCCCCCCCOC(C)=O SBB058677 [2,0,0,0,0,0|1,0,0]=3 73 B13R0.54 CCCCCCCCSCCC(=O)O SBB000583 [2,0,0,0,0,0|2,0,0]=4 74 B13R0.54 CCCCSCCCCCCC(=O)O SBB001713 [2,0,0,0,0,0|2,0,0]=4 75 B13R0.54 NCCCCCCCCCCC(=O)O SBB058716 [2,0,0,0,0,0|2,0,0]=4 76 B13R0.54 O=C(O)CCCCCCCCCCBr SBB061375 [2,0,0,0,0,0|2,0,0]=4 77 B15R0.70 C=CCCCCCCCCCCCCCC SBB008801 [1,1,0,0,0,0|0,0,1]=3 78 B15R0.70 CCCCCCCCCCCCNCCC SBB059837 [1,1,0,0,0,0|0,0,1]=3 79 B15R0.70 CCCCCCCCCCCCNCCO SBB059781 [1,1,0,0,0,0|0,0,2]=4 80 B15R0.70 CCCCCCCCCCCCOCCCl SBB060222 [1,1,0,0,0,0|1,0,1]=4 81 B15R0.70 CCCCCCCCCCCCOCCO SBB060176 [1,1,0,0,0,0|0,0,2]=4 82 B15R0.70 CCCCCCCCCCCCSCCN SBB061579 [1,1,0,0,0,0|1,0,1]=4 83 B15R0.70 CCCCCCCCCCCCSCCO SBB019395 [1,1,0,0,0,0|0,0,2]=4 84 B15R0.70 CCCCCCCCCCCNCCCC SBB059821 [1,1,0,0,0,0|0,0,1]=3 85 B15R0.70 CCCCCCCCCCCNCCCO SBB056516 [1,1,0,0,0,0|0,0,2]=4 86 B15R0.70 CCCCCCCCNCCOCCOC SBB056701 [1,1,0,0,0,0|2,0,0]=4 87 B15R0.70 CCCCCCCSSCCCCCCC SBB061208 [1,1,0,0,0,0|1,0,1]=4 88 B15R0.70 [NH2+](CCC)CCCCCCCCCCCC SBB059838 [1,1,0,0,0,0|0,0,1]=3 89 B15R0.70 [NH2+](CCCC)CCCCCCCCCCC SBB061640 [1,1,0,0,0,0|0,0,1]=3 90 B15R0.81 CCCCCCCCCCCCC(Br)CBr SBB060501 [1,1,0,0,0,0|1,0,1]=4 91 B15R0.81 CCCCCCCCCCCCC(Cl)CCl SBB060508 [1,1,0,0,0,0|1,0,1]=4 92 B15R0.133 CCCCCCCN(C)CCCCCCC SBB061492 [1,1,0,0,0,0|1,0,1]=4 93 B15R0.69 CCCCCCCCCOC(=O)CC(C)=O SBB060043 [1,1,0,0,0,0|1,0,1]=4 94 B15R0.252 CCCCCCCCCCCCP(=O)(O)O SBB057480 [1,1,0,0,0,0|2,0,0]=4 95 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C SBB060105 [1,1,0,0,0,0|2,0,0]=4 96 B17R0.11645 COC(=O)CCCCCCCCCCC(=O)OC SBB007707 [0,2,0,0,0,0|1,0,1]=4 97 B17R0.195 CCCCCCCCCCCCCCC(Br)CBr SBB060502 [0,2,0,0,0,0|1,0,1]=4 98 B17R0.195 CCCCCCCCCCCCCCC(Cl)CCl SBB060509 [0,2,0,0,0,0|1,0,1]=4 99 B17R0.250 CCCCCCCCCCCCCC(=O)OCC SBB061074 [0,2,0,0,0,0|0,0,0]=2 100 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl SBB058701 [0,2,0,0,0,0|1,0,0]=3 101 B17R0.43 CCCCCCCCCCCCCCCC(=O)O SBB017229 [0,2,0,0,0,0|1,0,0]=3 102 B17R0.43 CCCCCCCCCCCCCCCC(C)=O SBB061612 [0,2,0,0,0,0|0,0,0]=2 103 B17R0.43 CCCCCCCCCCCCCCCC(N)=O SBB061049 [0,2,0,0,0,0|1,0,0]=3 104 B17R0.43 CCCCCCCCCCCCCCOC(C)=O SBB060588 [0,2,0,0,0,0|0,0,0]=2 105 B17R0.43 CCCCCCCCCCCCSCCC(=O)O SBB001709 [0,2,0,0,0,0|1,0,0]=3 106 B17R0.43 CCCCCCCCSCCCCCCC(=O)O SBB001711 [0,2,0,0,0,0|1,0,0]=3 107 B17R0.116 CCCCCCCCCCCOC(=O)CC(C)=O SBB060045 [0,2,0,0,0,0|0,0,1]=3 108 B17R0.197 CCCCCCCCCCCCCC[N+](C)(C)C SBB060106 [0,2,0,0,0,0|2,0,0]=4 109 B17R0.1713 CN(C)CCCCCCCCCCCCN(C)C SBB061374 [0,2,0,0,0,0|2,0,0]=4 110 B15R1.35 CCCCCCCCNC1CCCCC1 SBB059773 [1,0,0,1,0,0|1,0,1]=4 111 B15R1.9199 CCCCCCCCCCCCC1CO1 SBB061568 [1,0,0,1,0,0|1,0,0]=3 112 B17R2.3547 O=C(O)CCN1CCCC1C2CCCCC2 SBB026192 [0,0,0,2,0,0|2,0,0]=4