0 B11R0.148 C(=C/CCOC(=O)C)\CCCI T165999 [0,0,0,0,0,0|1,0,2]=3 1 B11R0.148 C(=O)CCCCCCOC(=O)C T168823 [0,0,0,0,0,0|1,0,1]=2 2 B11R0.148 CCCCCC#CCCC(=O)C S884901 [0,0,0,0,0,0|1,0,2]=3 3 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.148 CCCCCCCCC=C(C)C T293466 [0,0,0,0,0,0|2,0,0]=2 5 B11R0.148 CCCCCCCCCC(=N)N PH012191 [0,0,0,0,0,0|3,0,0]=3 6 B11R0.148 CCCCCCCCCC(=O)N S549878 [0,0,0,0,0,0|2,0,0]=2 7 B11R0.148 CCCCCCCCCC(C)Br S452572 [0,0,0,0,0,0|2,0,1]=3 8 B11R0.148 CCCCCCCCCC(C)N S540293 [0,0,0,0,0,0|2,0,1]=3 9 B11R0.148 CCCCCCCCSC(=N)N S385239 [0,0,0,0,0,0|2,1,0]=3 10 B11R0.148 CCCCOCCOCC(=O)O CDS000206 [0,0,0,0,0,0|4,0,0]=4 11 B11R0.148 O=C(O)CCCCCCCCBr T333328 [0,0,0,0,0,0|3,0,0]=3 12 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [0,0,0,0,0,0|3,0,0]=3 13 B10R0.4 CC(=CCCCCCCBr)C S793051 [1,0,0,0,0,0|2,0,1]=4 14 B10R0.4 CC(C)CCCCCCCO PH008704 [1,0,0,0,0,0|2,0,1]=4 15 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [1,0,0,0,0,0|1,0,2]=4 16 B10R0.4 CCCCCCC#CC(=O)O S354023 [1,0,0,0,0,0|1,0,2]=4 17 B10R0.4 CCCCCCCCC(=N)N PH012190 [1,0,0,0,0,0|2,0,0]=3 18 B10R0.4 CCCCCCCCC(=O)N S595268 [1,0,0,0,0,0|1,0,0]=2 19 B10R0.4 CCCCCCCCC(C)N T151068 [1,0,0,0,0,0|1,0,1]=3 20 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [1,0,0,0,0,0|2,0,0]=3 21 B10R0.4 CCCCCCCNC(=O)C R704377 [1,0,0,0,0,0|1,0,0]=2 22 B10R0.4 CCCCCCCNC(=O)N S516643 [1,0,0,0,0,0|2,0,0]=3 23 B10R0.4 COCCOCCOC(=O)C S705659 [1,0,0,0,0,0|2,0,0]=3 24 B10R0.71 C#CCCCCCCCCC CDS001229 [1,0,0,0,0,0|1,0,2]=4 25 B10R0.71 CCCCCCCCCCF S570354 [1,0,0,0,0,0|2,0,1]=4 26 B10R0.71 CCCCCCCCN=C=S CDS013725 [1,0,0,0,0,0|1,1,1]=4 27 B10R0.71 CCCCCCCCSCC S570656 [1,0,0,0,0,0|0,1,1]=3 28 B10R0.71 CCCCCCNCCCC OTV000454 [1,0,0,0,0,0|2,0,1]=4 29 B10R0.71 CCCCCNCCCCC S503770 [1,0,0,0,0,0|2,0,1]=4 30 B10R0.71 CCOCCNCCOCC CDS000629 [1,0,0,0,0,0|2,0,1]=4 31 B10R0.71 COCCCCCCCCN PH012543 [1,0,0,0,0,0|3,0,0]=4 32 B12R0.4 CCCCCCCC(=O)OC(C)C CDS000544 [0,1,0,0,0,0|1,0,2]=4 33 B12R0.234 C=CCCCCCCCCC(=O)[O-] CDS003850 [0,1,0,0,0,0|2,0,1]=4 34 B12R0.234 CC(=O)NCCCCCCCCN S233641 [0,1,0,0,0,0|1,0,0]=2 35 B12R0.234 CCCCCCCCCCC(=N)N PH012196 [0,1,0,0,0,0|3,0,0]=4 36 B12R0.234 CCCCCCCCCNC(=S)N PH008429 [0,1,0,0,0,0|2,1,0]=4 37 B12R0.234 CCCCCCCCCOC(=O)C S364258 [0,1,0,0,0,0|0,0,0]=1 38 B12R0.234 CCCCCCCCCSC(=N)N PH011951 [0,1,0,0,0,0|2,1,0]=4 39 B12R0.234 CCCCCCCCNCC(=O)N PH010602 [0,1,0,0,0,0|2,0,0]=3 40 B12R0.234 CCCCCCCCOCC(=O)O PH010016 [0,1,0,0,0,0|1,0,0]=2 41 B12R0.234 N#CCCCCCCCCC(=O)O S367591 [0,1,0,0,0,0|2,0,1]=4 42 B12R0.248 C=CC(=O)OCCCCCCCC CDS004485 [0,1,0,0,0,0|0,0,1]=2 43 B12R0.248 CCCCCC#CCCC(=O)OC S884480 [0,1,0,0,0,0|1,0,2]=4 44 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [0,1,0,0,0,0|1,0,0]=2 45 B12R0.248 CCCCCCCCCC(=O)NN S550280 [0,1,0,0,0,0|2,0,0]=3 46 B12R0.248 CCCCCCCCCC([NH3+])CO L498637 [0,1,0,0,0,0|2,0,1]=4 47 B12R0.248 CCCCCCCCNC(=O)CCl S376833 [0,1,0,0,0,0|1,0,0]=2 48 B12R0.248 CCCCCCCCOC(=O)CCl S530727 [0,1,0,0,0,0|0,0,0]=1 49 B12R0.248 COC(=O)CCCCCCCCI T266353 [0,1,0,0,0,0|2,0,0]=3 50 B12R0.251 CCCCCCCCC(=O)C(C)C S866784 [0,1,0,0,0,0|2,0,1]=4 51 B12R0.268 CC(O)CCCCCCCC(=O)O S888087 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.7 C(=C\CCC1CCC(=O)C1)\CC T279757 [0,0,0,1,0,0|1,0,2]=4 53 B12R1.75 COC1CCCCC1OC(=O)C S677361 [0,0,0,1,0,0|1,0,0]=2 54 B12R1.125 CC(=O)OCC1CC=CCC1C S375284 [0,0,0,1,0,0|0,0,2]=3 55 B12R1.125 CN1CCCCC1CCC(=O)O CBR01004 [0,0,0,1,0,0|3,0,0]=4 56 B12R1.130 CC(=O)OCCN1CCCC1=O PH007489 [0,0,0,1,0,0|2,0,1]=4 57 B12R1.212 N[C@H]1CCCCCC[C@H]1C(=O)O BBO000396 [0,0,0,1,0,0|3,0,0]=4 58 B12R1.252 CC(=O)CCC=C1CCCCC1 T326119 [0,0,0,1,0,0|1,0,2]=4 59 B12R1.252 CC(=O)NCCC1CCCCN1 CBR01178 [0,0,0,1,0,0|2,0,0]=3 60 B12R1.252 CC(=O)OCCC1CCCCO1 T177571 [0,0,0,1,0,0|1,0,0]=2 61 B12R1.252 NC(=O)CCCC1CCCCC1 L159417 [0,0,0,1,0,0|2,0,0]=3 62 B12R1.252 O=C(O)CCCC1CCCCC1 S462837 [0,0,0,1,0,0|2,0,0]=3 63 B12R1.252 O=C(O)CCCN1CCCCC1 PH017094 [0,0,0,1,0,0|3,0,0]=4 64 B12R1.252 O=C(O)CCNC1CCCCC1 S373834 [0,0,0,1,0,0|3,0,0]=4 65 B12R1.252 O=C([O-])CCCC1CCCCC1 S462209 [0,0,0,1,0,0|2,0,0]=3 66 B12R1.407 CCC1C=CCCCCC(=O)C1 T211451 [0,0,0,1,0,0|1,0,2]=4 67 B12R1.1343 O=C(O)CCN1CCCCCC1 T318035 [0,0,0,1,0,0|3,0,0]=4 68 B12R1.1392 CC(=O)OC1=CCCCCCC1 S39196 [0,0,0,1,0,0|0,0,2]=3 69 B12R1.1392 CC(=O)OC1C=CCCCCC1 T172537 [0,0,0,1,0,0|0,0,2]=3 70 B12R1.1392 CC(=O)OC1CCCCCCC1 S345067 [0,0,0,1,0,0|0,0,0]=1 71 B12R1.1392 CC(=O)OC1CCCCCOC1 T165980 [0,0,0,1,0,0|1,0,0]=2 72 B12R1.1392 CC(=O)OC1CCCCOCC1 T177261 [0,0,0,1,0,0|1,0,0]=2 73 B12R1.1392 N=C(N)NC1CCCCCCC1 R230871 [0,0,0,1,0,0|3,0,0]=4 74 B12R1.1392 NC(=O)NC1CCCCCCC1 S345083 [0,0,0,1,0,0|2,0,0]=3 75 B12R1.1392 O=C(O)CN1CCCCCCC1 T318949 [0,0,0,1,0,0|3,0,0]=4 76 B9R0.2 CCCCCCCC(C)Br S438758 [2,0,0,0,0,0|1,0,1]=4 77 B9R0.2 CCCNOCCC(=O)C S581321 [2,0,0,0,0,0|2,0,0]=4 78 B9R0.2 COCCCCCC(=O)O CBR00492 [2,0,0,0,0,0|2,0,0]=4 79 B9R0.45 CCCCCCCCNC CDS003222 [2,0,0,0,0,0|1,0,0]=3 80 B9R0.45 CCCCCCCCON PH014161 [2,0,0,0,0,0|1,0,0]=3 81 B9R0.45 CCCCCCCC[Hg]Cl S572551 [2,0,0,0,0,0|2,0,0]=4 82 B9R0.45 CCCCCNCCCC OTV000733 [2,0,0,0,0,0|1,0,1]=4 83 B9R0.45 CSCCCCCCSC S347825 [2,0,0,0,0,0|1,1,0]=4 84 B9R0.45 N#CCCCCCCC=O PH008272 [2,0,0,0,0,0|1,0,1]=4 85 B11R0.2 CCCCCCC(C)CC(=O)O CDS011550 [1,1,0,0,0,0|1,0,0]=3 86 B11R0.40 C=CS(=O)CCCCCCCC R395390 [1,1,0,0,0,0|1,0,1]=4 87 B11R0.40 CCCCCCCCC([NH3+])CO L498629 [1,1,0,0,0,0|1,0,1]=4 88 B11R0.42 CCCCCCCC(Br)C(=O)O PH002927 [1,1,0,0,0,0|1,0,0]=3 89 B11R0.42 CCCCCCCC(C)C(=O)O S874582 [1,1,0,0,0,0|1,0,0]=3 90 B11R0.46 CCCCCC(=O)CCC(=O)O T330051 [1,1,0,0,0,0|1,0,1]=4 91 B11R0.159 CCCCCCCCS(=O)(=O)N PH010261 [1,1,0,0,0,0|2,0,0]=4 92 B11R0.159 CCCCCCCNS(=O)(=O)C T170321 [1,1,0,0,0,0|2,0,0]=4 93 B11R0.176 CCCC(=O)OCCCC(=O)C R396044 [1,1,0,0,0,0|1,0,1]=4 94 B11R0.3 CC/C=C/CCCCCCCC PH003558 [1,1,0,0,0,0|1,0,0]=3 95 B11R0.3 CCCCCCCCC#CCBr PH009442 [1,1,0,0,0,0|1,0,1]=4 96 B11R0.3 CCCCCCCCCCSC S540161 [1,1,0,0,0,0|1,0,1]=4 97 B11R0.3 CCCCCCCCCSCC S547158 [1,1,0,0,0,0|0,1,1]=4 98 B11R0.3 CCCCCCCCNCCN PH000414 [1,1,0,0,0,0|1,0,1]=4 99 B11R0.3 CCCCCCCCNCCN S235881 [1,1,0,0,0,0|1,0,1]=4 100 B11R0.3 CCCCCCCCNCCS PH012947 [1,1,0,0,0,0|1,0,1]=4 101 B11R0.3 COCCCCCCCCOC S344400 [1,1,0,0,0,0|2,0,0]=4 102 B13R0.274 CCCCCCCC(C)NC(=O)CCl S377171 [0,2,0,0,0,0|1,0,0]=3 103 B13R0.335 CCCCCCCOC(=O)CC(=O)C S556904 [0,2,0,0,0,0|1,0,1]=4 104 B13R0.442 CC(C)(C)NCCCCCOC(=O)N PH013052 [0,2,0,0,0,0|2,0,0]=4 105 B13R0.1 CCCCCCC(=O)CCCC(=O)O S580511 [0,2,0,0,0,0|2,0,0]=4 106 B13R0.1398 C(=C(C)C)CC[C@@H](C)CCOC(=O)C T243663 [0,2,0,0,0,0|0,0,2]=4 107 B13R0.1398 CC(=O)CCCC(C)CCCC(C)C L299308 [0,2,0,0,0,0|1,0,0]=3 108 B13R0.1398 CC(=O)OCCC(C)CCCC(C)C S528072 [0,2,0,0,0,0|0,0,0]=2 109 B13R0.54 C=CCCCCCCCCOC(=O)C PH011353 [0,2,0,0,0,0|0,0,0]=2 110 B13R0.54 CCCCCCCCCCOC(=O)C S359947 [0,2,0,0,0,0|0,0,0]=2 111 B13R0.54 CCCCCCCCCNCC(=O)O PH014167 [0,2,0,0,0,0|2,0,0]=4 112 B13R0.54 CCCCCCCCOCCC(=O)O S530719 [0,2,0,0,0,0|1,0,0]=3 113 B13R0.54 CCCCCCCCSCCC(=O)O S233579 [0,2,0,0,0,0|1,1,0]=4 114 B13R0.54 CCCCOCCOCCOC(=O)N PH007315 [0,2,0,0,0,0|1,0,0]=3 115 B13R0.54 CCCCSCCCCCCC(=O)O R397334 [0,2,0,0,0,0|2,0,0]=4 116 B13R0.147 CCCCCCCCCOC(=O)CS S593966 [0,2,0,0,0,0|0,0,0]=2 117 B13R0.150 CCCCCCCCCC(=O)N(C)C CDS001534 [0,2,0,0,0,0|1,0,0]=3 118 B13R0.150 CCCCCCCCCC(C)C(=O)O PH003560 [0,2,0,0,0,0|1,0,1]=4 119 B13R0.179 CC(=O)CCCCCCCCC(=O)O S826499 [0,2,0,0,0,0|1,0,1]=4 120 B13R0.179 CC(Br)CCCCCCCCC(=O)O L203696 [0,2,0,0,0,0|2,0,0]=4 121 B13R0.2 CCCCCCCCCC(=O)CCC CDS000692 [0,2,0,0,0,0|1,0,0]=3 122 B13R0.2 CCCCCCCCNC(=O)CC#N S281050 [0,2,0,0,0,0|1,0,0]=3 123 B13R0.61 CCCCCCCCC(CC)C(=O)O PH002642 [0,2,0,0,0,0|2,0,0]=4 124 B13R0.413 CCCCCCCCC(C)(C)C(=O)O PH000380 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.86 CC(=O)CN1CCCCC1C R433667 [1,0,0,1,0,0|1,0,0]=3 126 B11R1.86 CC1CCCCC1CC(=O)O L127892 [1,0,0,1,0,0|1,0,0]=3 127 B11R1.91 C=C(C)CNC1CCCCC1 PH012104 [1,0,0,1,0,0|2,0,0]=4 128 B11R1.91 CC(=O)CCN1CCCCC1 S429961 [1,0,0,1,0,0|1,0,0]=3 129 B11R1.91 CC(=O)NCC1CCCNC1 CBR01926 [1,0,0,1,0,0|2,0,0]=4 130 B11R1.91 CC(=O)NCC1CCNCC1 CBR01056 [1,0,0,1,0,0|2,0,0]=4 131 B11R1.91 CC(=O)OCC1CCCCO1 S364959 [1,0,0,1,0,0|1,0,0]=3 132 B11R1.91 NC(=O)CCC1CCCCC1 EME00450 [1,0,0,1,0,0|1,0,0]=3 133 B11R1.91 NC(=O)CCC1CCCNC1 CBR00857 [1,0,0,1,0,0|2,0,0]=4 134 B11R1.91 NC(=O)CCC1CCNCC1 CBR02356 [1,0,0,1,0,0|2,0,0]=4 135 B11R1.91 NC(=O)NCC1CCCCC1 S517046 [1,0,0,1,0,0|2,0,0]=4 136 B11R1.91 O=C(O)CNC1CCCCC1 PH010418 [1,0,0,1,0,0|2,0,0]=4 137 B11R1.101 O=C1C=CCCCCCCC1 T231835 [1,0,0,1,0,0|0,0,2]=4 138 B11R1.101 O=C1CCC=CCCCCC1 S939781 [1,0,0,1,0,0|0,0,2]=4 139 B11R1.101 O=C1CCCCCCCCN1 S929964 [1,0,0,1,0,0|1,0,0]=3 140 B11R1.143 CN1CCCCCC1C(=O)O CBR00944 [1,0,0,1,0,0|2,0,0]=4 141 B11R1.543 CC1(CCCCCCCC1)O T211540 [1,0,0,1,0,0|0,0,2]=4 142 B11R1.706 CC(=C1CCCCCCC1)C T187453 [1,0,0,1,0,0|1,0,1]=4 143 B11R1.742 CC(=O)OC1CCC=CCC1 T166618 [1,0,0,1,0,0|0,0,2]=4 144 B11R1.742 NC(=O)NC1CCCCCC1 S344907 [1,0,0,1,0,0|2,0,0]=4 145 B11R1.742 O=C(O)CN1CCCCCC1 CBR00324 [1,0,0,1,0,0|2,0,0]=4 146 B11R1.4 C(=O)OCCCC1CCCO1 T177563 [1,0,0,1,0,0|1,0,0]=3 147 B11R1.5 C(=O)O[C@@H]1CCOCC[C@H]1C T177296 [1,0,0,1,0,0|1,0,0]=3 148 B11R1.28 CCCCCC1CCCCC1 S431664 [1,0,0,1,0,0|1,0,1]=4 149 B11R1.28 CNCCCC1CCCCC1 PH010303 [1,0,0,1,0,0|2,0,0]=4 150 B11R1.92 C1CCCCCCCCCC1 T330035 [1,0,0,1,0,0|1,0,1]=4 151 B11R1.117 C(=O)OC1CCCCOCC1 T185612 [1,0,0,1,0,0|1,0,0]=3 152 B11R1.180 CCCCCC1CCCC1=O S148938 [1,0,0,1,0,0|1,0,0]=3 153 B13R1.380 CCCC1CCCCC1CC(=O)O L128902 [0,1,0,1,0,0|2,0,0]=4 154 B13R1.91 COC1CCCCC1NC(=O)SC R788260 [0,1,0,1,0,0|2,0,0]=4 155 B13R1.3688 CCCCCCC1(CCC(=O)O1)C PH011389 [0,1,0,1,0,0|2,0,0]=4 156 B13R2.13132 O=C1CC2(CCCCCC2)CN1 CBR00301 [0,0,0,2,0,0|1,0,0]=3 157 B13R2.4719 O=C1CC2CCCCCC(C1)C2 T292923 [0,0,0,2,0,0|1,0,0]=3 158 B13R2.4719 [C@H]12CCCCC[C@H](C1)CC(=C)C2 T244996 [0,0,0,2,0,0|2,0,0]=4 159 B13R2.11128 O=C1CCCC2(C1)CCCCC2 S757470 [0,0,0,2,0,0|1,0,0]=3 160 B13R2.4787 [C@H]12CCCCCCCC1C(=O)N2 T179159 [0,0,0,2,0,0|1,0,0]=3 161 B13R2.4787 [C@H]12CCCCCCC[C@H]1C(=O)N2 T179191 [0,0,0,2,0,0|1,0,0]=3 162 B13R2.1282 CC(=O)O[C@@H]1C=CC2CCC1C2 T272728 [0,0,0,2,0,0|0,0,2]=4 163 B13R2.687 NC(=O)CC1CCC2C1CCC2 S955191 [0,0,0,2,0,0|2,0,0]=4 164 B13R2.34 C[N+]12CCCCC1CNC(=O)C2 T162574 [0,0,0,2,0,0|2,0,0]=4 165 B13R2.34 O=C1CCC2CCCCC2(C1)O S291749 [0,0,0,2,0,0|2,0,0]=4 166 B13R2.4958 CC(=O)OC1C2CCC1C(C2)Cl T178209 [0,0,0,2,0,0|1,0,0]=3 167 B13R2.10201 CN1C2CCCC1CC(=O)NC2 T299030 [0,0,0,2,0,0|2,0,0]=4