0 B13R0.54 CCCCCCCCCCCC(=O)Cl SBB060016 [0,0,0,0,0,0|1,0,0]=1 1 B13R0.54 CCCCCCCCCCCC(=O)O SBB060023 [0,0,0,0,0,0|0,0,0]=0 2 B13R0.54 CCCCCCCCCCCC(N)=O SBB061051 [0,0,0,0,0,0|1,0,0]=1 3 B13R0.54 CCCCCCCCCCCN(C)C SBB061365 [0,0,0,0,0,0|3,0,0]=3 4 B13R0.54 CCCCCCCCCCNC(N)=S SBB017790 [0,0,0,0,0,0|2,1,0]=3 5 B13R0.54 CCCCCCCCCCOC(C)=O SBB058677 [0,0,0,0,0,0|2,0,0]=2 6 B13R0.54 CCCCCCCCSCCC(=O)O SBB000583 [0,0,0,0,0,0|1,0,0]=1 7 B13R0.54 CCCCSCCCCCCC(=O)O SBB001713 [0,0,0,0,0,0|1,0,0]=1 8 B13R0.54 NCCCCCCCCCCC(=O)O SBB058716 [0,0,0,0,0,0|1,0,0]=1 9 B13R0.54 O=C(O)CCCCCCCCCCBr SBB061375 [0,0,0,0,0,0|1,0,0]=1 10 B12R0.5 C=CCCCCCCCCCCC SBB009033 [1,0,0,0,0,0|1,0,0]=2 11 B12R0.5 CCC#CCCCCCCCCO SBB008814 [1,0,0,0,0,0|0,0,3]=4 12 B12R0.5 CCCCCCCCCCCC=O SBB059874 [1,0,0,0,0,0|0,0,0]=1 13 B12R0.5 CCCCCCCCCCCCBr SBB059941 [1,0,0,0,0,0|1,0,1]=3 14 B12R0.5 CCCCCCCCCCCCCl SBB059959 [1,0,0,0,0,0|1,0,1]=3 15 B12R0.5 CCCCCCCCCCCCF SBB090835 [1,0,0,0,0,0|1,0,1]=3 16 B12R0.5 CCCCCCCCCCCCN SBB007640 [1,0,0,0,0,0|1,0,1]=3 17 B12R0.5 CCCCCCCCCCCCN SBB059988 [1,0,0,0,0,0|1,0,1]=3 18 B12R0.5 CCCCCCCCCCCCO SBB008734 [1,0,0,0,0,0|0,0,1]=2 19 B12R0.5 CCCCCCCCCCCCS SBB060132 [1,0,0,0,0,0|0,1,1]=3 20 B12R0.5 CCCCCCCCCCCNC SBB059830 [1,0,0,0,0,0|2,0,0]=3 21 B12R0.5 CCCCCCCCCCNC=O SBB061177 [1,0,0,0,0,0|1,0,0]=2 22 B12R0.5 CCCCCCCCCSCCO SBB019265 [1,0,0,0,0,0|1,0,1]=3 23 B12R0.5 CCCCCCCCNCCCC SBB059768 [1,0,0,0,0,0|2,0,1]=4 24 B12R0.5 CCCCCCCCNCCOC SBB059794 [1,0,0,0,0,0|3,0,0]=4 25 B12R0.5 CCCCCCNCCCCCC SBB059818 [1,0,0,0,0,0|2,0,1]=4 26 B12R0.5 CCCCCCOCCCCCC SBB061195 [1,0,0,0,0,0|2,0,1]=4 27 B12R0.5 CCCCCCOCCOCCO SBB060179 [1,0,0,0,0,0|2,0,1]=4 28 B12R0.5 CCCCCCSCCCCCC SBB061018 [1,0,0,0,0,0|2,0,1]=4 29 B12R0.5 NCCCCCCCCCCCC SBB003344 [1,0,0,0,0,0|1,0,1]=3 30 B12R0.5 OCCCCCCCCCCCBr SBB061556 [1,0,0,0,0,0|1,0,1]=3 31 B12R0.5 [NH2+](CCCC)CCCCCCCC SBB061639 [1,0,0,0,0,0|2,0,1]=4 32 B12R0.234 C#CCCCCCCCCC(=O)O SBB008483 [1,0,0,0,0,0|0,0,2]=3 33 B12R0.234 C=CCCCCCCCCC(=O)Cl SBB009003 [1,0,0,0,0,0|1,0,2]=4 34 B12R0.234 C=CCCCCCCCCC(=O)O SBB009049 [1,0,0,0,0,0|0,0,2]=3 35 B12R0.234 CCCCCCCCCCC(=O)Cl SBB060536 [1,0,0,0,0,0|1,0,0]=2 36 B12R0.234 CCCCCCCCCCC(=O)O SBB058709 [1,0,0,0,0,0|0,0,0]=1 37 B12R0.234 CCCCCCCCCCC(C)O SBB060451 [1,0,0,0,0,0|1,0,1]=3 38 B12R0.234 CCCCCCCCCCN(C)C SBB060244 [1,0,0,0,0,0|3,0,0]=4 39 B12R0.234 CCCCCCCCCOC(C)=O SBB060586 [1,0,0,0,0,0|2,0,0]=3 40 B12R0.234 CCCCCCCCOCC(C)O SBB061010 [1,0,0,0,0,0|2,0,1]=4 41 B14R0.68 O=C(O)CCCCCCCCCC(=O)O SBB069138 [0,1,0,0,0,0|1,0,1]=3 42 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] SBB007683 [0,1,0,0,0,0|2,0,1]=4 43 B14R0.305 O=C(O)CCCCCCCCC(O)CO SBB056632 [0,1,0,0,0,0|1,0,0]=2 44 B14R0.337 CCCCCCCCCCCC(=O)NN SBB056837 [0,1,0,0,0,0|1,0,0]=2 45 B14R0.337 CCCCCCCCCCCC(=O)OC SBB058684 [0,1,0,0,0,0|0,0,0]=1 46 B14R0.337 CCCCCCCCCCCC(Cl)CCl SBB060214 [0,1,0,0,0,0|2,0,1]=4 47 B14R0.337 CCCCCCCCCCOC(=O)CC SBB056766 [0,1,0,0,0,0|2,0,0]=3 48 B14R0.337 CCCCCCCCCCOC(=O)CCl SBB060034 [0,1,0,0,0,0|2,0,0]=3 49 B14R0.337 COC(=O)CCCCCCCCCCCl SBB072738 [0,1,0,0,0,0|1,0,0]=2 50 B14R0.344 CCCCCCCCS(=O)CCC(=O)O SBB001707 [0,1,0,0,0,0|1,0,0]=2 51 B14R0.391 CCCCCCCCOC(=O)CC(C)=O SBB060041 [0,1,0,0,0,0|2,0,1]=4 52 B14R0.394 CCCCCCCCCCCCC(=O)O SBB069518 [0,1,0,0,0,0|0,0,0]=1 53 B14R0.394 CCCCCCCCCCCCN(C)C SBB059992 [0,1,0,0,0,0|3,0,0]=4 54 B14R0.394 CCCCCCCCCCCOC(C)=O SBB060587 [0,1,0,0,0,0|1,0,0]=2 55 B14R0.394 CCCCCCCCSCCSC(=N)N SBB013618 [0,1,0,0,0,0|3,0,0]=4 56 B14R0.394 NCCCCCCCCCCCC(=O)O SBB058890 [0,1,0,0,0,0|0,0,0]=1 57 B14R0.394 O=C(O)CCCCCCCCCCCBr SBB061618 [0,1,0,0,0,0|0,0,0]=1 58 B14R0.394 O=C(O)CCCCCCCCCCCO SBB061512 [0,1,0,0,0,0|0,0,0]=1 59 B14R0.394 [NH+](C)(C)CCCCCCCCCCCC SBB061538 [0,1,0,0,0,0|3,0,0]=4 60 B14R1.26 CCCCCCCC1CCCC(=O)O1 SBB071496 [0,0,0,1,0,0|0,0,0]=1 61 B14R1.4408 O=C1CCCCCCCCCCCN1 SBB080680 [0,0,0,1,0,0|1,0,0]=2 62 B14R1.4728 CCCCCCCCC1CC1C(=O)O SBB001548 [0,0,0,1,0,0|0,0,0]=1 63 B14R1.6414 O=C(O)C1CCCCCCCCCC1 SBB069116 [0,0,0,1,0,0|0,0,0]=1 64 B11R0.3 C#CCCCCCCCCCO SBB009008 [2,0,0,0,0,0|0,0,2]=4 65 B11R0.3 C=CCCCCCCCCCBr SBB059242 [2,0,0,0,0,0|1,0,1]=4 66 B11R0.3 C=CCCCCCCCCCC SBB059886 [2,0,0,0,0,0|0,0,1]=3 67 B11R0.3 C=CCCCCCCCCCO SBB009050 [2,0,0,0,0,0|0,0,2]=4 68 B11R0.3 CCCCCCCCCCC#N SBB060054 [2,0,0,0,0,0|1,0,1]=4 69 B11R0.3 CCCCCCCCCCC=O SBB059873 [2,0,0,0,0,0|0,0,0]=2 70 B11R0.3 CCCCCCCCCCCBr SBB059940 [2,0,0,0,0,0|1,0,0]=3 71 B11R0.3 CCCCCCCCCCCCl SBB059958 [2,0,0,0,0,0|1,0,0]=3 72 B11R0.3 CCCCCCCCCCCI SBB061359 [2,0,0,0,0,0|1,0,0]=3 73 B11R0.3 CCCCCCCCCCCO SBB059909 [2,0,0,0,0,0|0,0,0]=2 74 B11R0.3 CCCCCCCCCCNC SBB059819 [2,0,0,0,0,0|1,0,1]=4 75 B11R0.3 CCCCCCCCCOC=O SBB060304 [2,0,0,0,0,0|1,0,0]=3 76 B11R0.3 CCCCCCCCNCCC SBB059839 [2,0,0,0,0,0|1,0,1]=4 77 B11R0.3 CCCCCCCCNCCO SBB056741 [2,0,0,0,0,0|1,0,0]=3 78 B11R0.3 CCCCCCCCOCCCl SBB060220 [2,0,0,0,0,0|2,0,0]=4 79 B11R0.3 CCCCCCCCOCCN SBB071652 [2,0,0,0,0,0|2,0,0]=4 80 B11R0.3 CCCCCCCCOCCO SBB059919 [2,0,0,0,0,0|1,0,0]=3 81 B11R0.3 CCCCCCCCSCCO SBB013612 [2,0,0,0,0,0|1,0,0]=3 82 B11R0.3 CCCCCCCCSCCS SBB061350 [2,0,0,0,0,0|1,1,0]=4 83 B11R0.3 CCCCCCCNCCCC SBB059767 [2,0,0,0,0,0|1,0,1]=4 84 B11R0.3 CCCCCSCCOCCO SBB060445 [2,0,0,0,0,0|2,0,0]=4 85 B11R0.3 ClCCCCCCCCCCCl SBB061063 [2,0,0,0,0,0|2,0,0]=4 86 B11R0.3 OCCCCCCCCCCBr SBB059278 [2,0,0,0,0,0|1,0,0]=3 87 B11R0.3 OCCCCCCCCCCO SBB008880 [2,0,0,0,0,0|1,0,0]=3 88 B11R0.3 SCCCCCCCCCCS SBB066557 [2,0,0,0,0,0|1,1,0]=4 89 B11R0.3 [NH2+](CCCC)CCCCCCC SBB061641 [2,0,0,0,0,0|1,0,1]=4 90 B11R0.148 CCCCCCCCCC(=O)Cl SBB060015 [2,0,0,0,0,0|1,0,0]=3 91 B11R0.148 CCCCCCCCCC(=O)O SBB060022 [2,0,0,0,0,0|0,0,0]=2 92 B11R0.148 CCCCCCCCCC(C)=O SBB060389 [2,0,0,0,0,0|1,0,0]=3 93 B11R0.148 CCCCCCCCCC(N)=O SBB061052 [2,0,0,0,0,0|1,0,0]=3 94 B11R0.148 CCCCCCCCOC(C)=O SBB060585 [2,0,0,0,0,0|2,0,0]=4 95 B11R0.148 CCCCSCCCCC(=O)O SBB019267 [2,0,0,0,0,0|1,0,0]=3 96 B13R0.147 CCCCCCCCCCC(Br)CBr SBB060500 [1,1,0,0,0,0|1,0,1]=4 97 B13R0.147 CCCCCCCCCCC(Cl)CCl SBB060454 [1,1,0,0,0,0|1,0,1]=4 98 B13R0.147 CCCCCCCCOCC(O)CO SBB060187 [1,1,0,0,0,0|1,0,1]=4 99 B13R0.147 COC(=O)CCCCCCCCC=O SBB061580 [1,1,0,0,0,0|1,0,1]=4 100 B13R0.336 BrCCCCCCCCCCCCBr SBB060824 [1,1,0,0,0,0|1,0,1]=4 101 B13R0.336 C=CCCCCCCCCCCCC SBB008940 [1,1,0,0,0,0|1,0,0]=3 102 B13R0.336 C=CCSCCCCCCCCCC SBB061595 [1,1,0,0,0,0|1,0,0]=3 103 B13R0.336 CCCCCCCCCCCCC#N SBB016935 [1,1,0,0,0,0|1,0,1]=4 104 B13R0.336 CCCCCCCCCCCCCCl SBB059960 [1,1,0,0,0,0|1,0,1]=4 105 B13R0.336 CCCCCCCCCCCCCN SBB070384 [1,1,0,0,0,0|1,0,1]=4 106 B13R0.336 CCCCCCCCCCCCCO SBB080806 [1,1,0,0,0,0|0,0,1]=3 107 B13R0.336 CCCCCCCCCCNCCC SBB059835 [1,1,0,0,0,0|1,0,1]=4 108 B13R0.336 CCCCCCCCCCNCCO SBB059780 [1,1,0,0,0,0|0,0,1]=3 109 B13R0.336 CCCCCCCCCCOCCCl SBB060221 [1,1,0,0,0,0|1,0,1]=4 110 B13R0.336 CCCCCCCCCCOCCO SBB060175 [1,1,0,0,0,0|0,0,1]=3 111 B13R0.336 CCCCCCCCCCSCCO SBB019381 [1,1,0,0,0,0|0,0,1]=3 112 B13R0.336 CCCCCCCSCCOCCO SBB060446 [1,1,0,0,0,0|1,0,1]=4 113 B13R0.336 ClCCCCCCCCCCCCCl SBB060823 [1,1,0,0,0,0|1,0,1]=4 114 B13R0.336 N(C)CCCCCCCCCCCC SBB058820 [1,1,0,0,0,0|1,0,1]=4 115 B13R0.336 NCCCCCCCCCCCCN SBB058723 [1,1,0,0,0,0|1,0,1]=4 116 B13R0.336 OCCCCCCCCCCCCO SBB060740 [1,1,0,0,0,0|0,0,1]=3 117 B13R0.336 [NH2+](CCCC)CCCCCCCCC SBB061638 [1,1,0,0,0,0|1,0,1]=4 118 B13R0.179 O=C(O)CCCCCCCCC(=O)O SBB060280 [1,1,0,0,0,0|1,0,1]=4 119 B13R0.280 CCCCCCCCCCP(=O)(O)O SBB057479 [1,1,0,0,0,0|1,0,0]=3 120 B15R0.252 CCCCCCCCCCCCP(=O)(O)O SBB057480 [0,2,0,0,0,0|1,0,0]=3 121 B15R0.111 CCOC(=O)CCCCCCCCC(=O)O SBB069512 [0,2,0,0,0,0|0,0,1]=3 122 B15R0.172 COC(=O)CCCCCCCCC(=O)OC SBB060773 [0,2,0,0,0,0|1,0,1]=4 123 B15R0.84 CCCCCCCCCCCC(=O)N(C)C SBB008021 [0,2,0,0,0,0|1,0,0]=3 124 B15R0.366 CCCCCCCCCCCC(=O)OCC SBB061073 [0,2,0,0,0,0|0,0,0]=2 125 B15R0.69 CCCCCCCCCOC(=O)CC(C)=O SBB060043 [0,2,0,0,0,0|1,0,1]=4 126 B15R0.164 CCCCCCCCCCCCCC(=O)Cl SBB058688 [0,2,0,0,0,0|1,0,0]=3 127 B15R0.164 CCCCCCCCCCCCCC(=O)O SBB060024 [0,2,0,0,0,0|0,0,0]=2 128 B15R0.164 CCCCCCCCCCCCCC(N)=O SBB061050 [0,2,0,0,0,0|1,0,0]=3 129 B15R0.164 CCCCCCCCCCCCNC(N)=O SBB007955 [0,2,0,0,0,0|1,0,0]=3 130 B15R0.164 CCCCCCCCCCCCOC(C)=O SBB060308 [0,2,0,0,0,0|1,0,0]=3 131 B15R0.164 CCCCCCCCCCCCSC(=N)N SBB051618 [0,2,0,0,0,0|2,0,0]=4 132 B15R0.164 CCCCCCCCCCCOCC(=O)O SBB061423 [0,2,0,0,0,0|0,0,0]=2 133 B15R0.164 CCCCCCCCCCSCCC(=O)O SBB001708 [0,2,0,0,0,0|0,0,0]=2 134 B15R0.164 CCCCCCCCSCCCCC(=O)O SBB001710 [0,2,0,0,0,0|0,0,0]=2 135 B15R0.164 CCCCCCCSCCCCCC(=O)O SBB061388 [0,2,0,0,0,0|0,0,0]=2 136 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O SBB060281 [0,2,0,0,0,0|0,0,1]=3 137 B13R1.279 NC1CCCCCCCCCCC1 SBB003726 [1,0,0,1,0,0|1,0,1]=4 138 B13R1.279 O=C1CCCCCCCCCCC1 SBB060076 [1,0,0,1,0,0|0,0,0]=2 139 B13R1.279 O=C1CCCCCCCCCCO1 SBB061611 [1,0,0,1,0,0|1,0,0]=3 140 B13R1.279 OC1CCCCCCCCCCC1 SBB060734 [1,0,0,1,0,0|0,0,1]=3 141 B13R1.659 CCCCCCCCOCC1CO1 SBB060099 [1,0,0,1,0,0|1,0,1]=4 142 B13R1.1988 O=C(O)CCCN1CCCCCC1 SBB077232 [1,0,0,1,0,0|1,0,0]=3 143 B15R1.1239 CCCNC(=O)C1CCCCC1C(=O)O SBB051093 [0,1,0,1,0,0|1,0,1]=4 144 B15R1.16777 O=C(O)CCC(=O)NC1CCCCCC1 SBB051088 [0,1,0,1,0,0|1,0,1]=4 145 B15R1.9199 CCCCCCCCCCCCC1CO1 SBB061568 [0,1,0,1,0,0|1,0,1]=4