0 B11R0.148 C(=O)CCCCCCOC(=O)C T168823 [0,0,0,0,0,0|3,0,1]=4 1 B11R0.148 CCCCCC#CCCC(=O)C S884901 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [0,0,0,0,0,0|0,0,2]=2 3 B11R0.148 CCCCCCCCC=C(C)C T293466 [0,0,0,0,0,0|2,0,1]=3 4 B11R0.148 CCCCCCCCCC(=N)N PH012191 [0,0,0,0,0,0|2,0,0]=2 5 B11R0.148 CCCCCCCCCC(=O)N S549878 [0,0,0,0,0,0|1,0,0]=1 6 B11R0.148 CCCCCCCCCC(C)Br S452572 [0,0,0,0,0,0|2,0,1]=3 7 B11R0.148 CCCCCCCCCC(C)N S540293 [0,0,0,0,0,0|2,0,1]=3 8 B11R0.148 CCCCCCCCSC(=N)N S385239 [0,0,0,0,0,0|3,0,0]=3 9 B11R0.148 CCCCOCCOCC(=O)O CDS000206 [0,0,0,0,0,0|2,0,0]=2 10 B11R0.148 O=C(O)CCCCCCCCBr T333328 [0,0,0,0,0,0|1,0,0]=1 11 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [0,0,0,0,0,0|1,0,0]=1 12 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [1,0,0,0,0,0|0,0,2]=3 13 B10R0.4 CCCCCCC#CC(=O)O S354023 [1,0,0,0,0,0|0,0,2]=3 14 B10R0.4 CCCCCCCCC(=N)N PH012190 [1,0,0,0,0,0|2,0,0]=3 15 B10R0.4 CCCCCCCCC(=O)N S595268 [1,0,0,0,0,0|1,0,0]=2 16 B10R0.4 CCCCCCCCC(C)N T151068 [1,0,0,0,0,0|2,0,1]=4 17 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [1,0,0,0,0,0|1,0,1]=3 18 B10R0.4 CCCCCCCNC(=O)C R704377 [1,0,0,0,0,0|2,0,0]=3 19 B10R0.4 CCCCCCCNC(=O)N S516643 [1,0,0,0,0,0|2,0,0]=3 20 B10R0.71 C#CCCCCCCCCC CDS001229 [1,0,0,0,0,0|1,0,1]=3 21 B10R0.71 CCCCCCCCCCF S570354 [1,0,0,0,0,0|1,0,1]=3 22 B10R0.71 CCCCCCCCN=C=S CDS013725 [1,0,0,0,0,0|1,1,1]=4 23 B10R0.71 CCCCCCCCSCC S570656 [1,0,0,0,0,0|2,0,1]=4 24 B10R0.71 CCCCCCCSCCO S362220 [1,0,0,0,0,0|1,0,1]=3 25 B10R0.71 CCCCCCNCCCC OTV000454 [1,0,0,0,0,0|2,0,1]=4 26 B10R0.71 CCCCCCOCCCN S392022 [1,0,0,0,0,0|2,0,1]=4 27 B10R0.71 CCCCCNCCCCC S503770 [1,0,0,0,0,0|2,0,1]=4 28 B10R0.71 COCCCCCCCCN PH012543 [1,0,0,0,0,0|2,0,1]=4 29 B10R0.71 ICCCCCCCCCI S764507 [1,0,0,0,0,0|2,0,1]=4 30 B10R0.71 [NH2+](CCCCl)CCCCCC R738158 [1,0,0,0,0,0|2,0,1]=4 31 B12R0.234 C=CCCCCCCCCC(=O)[O-] CDS003850 [0,1,0,0,0,0|0,0,2]=3 32 B12R0.234 CC(=O)NCCCCCCCCN S233641 [0,1,0,0,0,0|2,0,0]=3 33 B12R0.234 CCCCCCCCCCC(=N)N PH012196 [0,1,0,0,0,0|2,0,0]=3 34 B12R0.234 CCCCCCCCCNC(=S)N PH008429 [0,1,0,0,0,0|1,1,0]=3 35 B12R0.234 CCCCCCCCCOC(=O)C S364258 [0,1,0,0,0,0|1,0,0]=2 36 B12R0.234 CCCCCCCCCSC(=N)N PH011951 [0,1,0,0,0,0|2,0,0]=3 37 B12R0.234 CCCCCCCCNCC(=O)N PH010602 [0,1,0,0,0,0|1,0,0]=2 38 B12R0.234 CCCCCCCCOCC(=O)O PH010016 [0,1,0,0,0,0|0,0,0]=1 39 B12R0.234 N#CCCCCCCCCC(=O)O S367591 [0,1,0,0,0,0|0,0,1]=2 40 B12R0.248 C=CC(=O)OCCCCCCCC CDS004485 [0,1,0,0,0,0|2,0,0]=3 41 B12R0.248 CCCCCC#CCCC(=O)OC S884480 [0,1,0,0,0,0|0,0,2]=3 42 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [0,1,0,0,0,0|1,0,0]=2 43 B12R0.248 CCCCCCCCCC(=O)NN S550280 [0,1,0,0,0,0|1,0,0]=2 44 B12R0.248 CCCCCCCCCC([NH3+])CO L498637 [0,1,0,0,0,0|1,0,1]=3 45 B12R0.248 CCCCCCCCNC(=O)CCl S376833 [0,1,0,0,0,0|2,0,0]=3 46 B12R0.248 CCCCCCCCOC(=O)CCl S530727 [0,1,0,0,0,0|2,0,0]=3 47 B12R0.248 COC(=O)CCCCCCCCI T266353 [0,1,0,0,0,0|1,0,0]=2 48 B12R0.248 OCCCCCCCCC(O)CO CDS000271 [0,1,0,0,0,0|1,0,2]=4 49 B12R0.268 CC(O)CCCCCCCC(=O)O S888087 [0,1,0,0,0,0|0,0,0]=1 50 B12R0.268 O=C(O)CCCOCCCC(=O)O T279013 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.7 C(=C\CCC1CCC(=O)C1)\CC T279757 [0,0,0,1,0,0|1,0,2]=4 52 B12R1.28 CCCCOC1=CC(=O)CCC1 PH011428 [0,0,0,1,0,0|2,0,1]=4 53 B12R1.75 COC1CCCCC1OC(=O)C S677361 [0,0,0,1,0,0|3,0,0]=4 54 B12R1.125 CN1CCCCC1CCC(=O)O CBR01004 [0,0,0,1,0,0|1,0,0]=2 55 B12R1.125 O=C(O)CCC1CCCCC1=O PH010413 [0,0,0,1,0,0|1,0,1]=3 56 B12R1.130 O=C(O)CCCN1CCCC1=O CBR00225 [0,0,0,1,0,0|2,0,1]=4 57 B12R1.212 N[C@H]1CCC=CCC[C@H]1C(=O)O BBO000397 [0,0,0,1,0,0|1,0,2]=4 58 B12R1.212 N[C@H]1CCCCCC[C@H]1C(=O)O BBO000396 [0,0,0,1,0,0|1,0,0]=2 59 B12R1.252 CC(=O)CCC=C1CCCCC1 T326119 [0,0,0,1,0,0|1,0,2]=4 60 B12R1.252 CC(=O)NCCC1CCCCN1 CBR01178 [0,0,0,1,0,0|3,0,0]=4 61 B12R1.252 CC(=O)OCCC1CCCCO1 T177571 [0,0,0,1,0,0|3,0,0]=4 62 B12R1.252 NC(=O)CCCC1CCCCC1 L159417 [0,0,0,1,0,0|1,0,0]=2 63 B12R1.252 O=C(O)CCCC1CCCCC1 S462837 [0,0,0,1,0,0|0,0,0]=1 64 B12R1.252 O=C(O)CCCN1CCCCC1 PH017094 [0,0,0,1,0,0|1,0,0]=2 65 B12R1.252 O=C(O)CCCN1CCOCC1 CDS019660 [0,0,0,1,0,0|2,0,0]=3 66 B12R1.252 O=C(O)CCNC1CCCCC1 S373834 [0,0,0,1,0,0|1,0,0]=2 67 B12R1.252 O=C(O)COCC1CCCCO1 CBR01455 [0,0,0,1,0,0|2,0,0]=3 68 B12R1.252 O=C([O-])CCCC1CCCCC1 S462209 [0,0,0,1,0,0|0,0,1]=2 69 B12R1.255 CC(O)CCCCC1CCCO1 R397423 [0,0,0,1,0,0|2,0,1]=4 70 B12R1.255 O=C(O)CCCNC1=NCCC1 CDS006974 [0,0,0,1,0,0|2,0,1]=4 71 B12R1.407 CCC1C=CCCCCC(=O)C1 T211451 [0,0,0,1,0,0|1,0,2]=4 72 B12R1.1343 O=C(O)CCN1CCCCCC1 T318035 [0,0,0,1,0,0|1,0,0]=2 73 B12R1.1392 CC(=O)OC1CCCCCCC1 S345067 [0,0,0,1,0,0|2,0,0]=3 74 B12R1.1392 CC(=O)OC1CCCCCOC1 T165980 [0,0,0,1,0,0|3,0,0]=4 75 B12R1.1392 CC(=O)OC1CCCCOCC1 T177261 [0,0,0,1,0,0|3,0,0]=4 76 B12R1.1392 N=C(N)NC1CCCCCCC1 R230871 [0,0,0,1,0,0|3,0,0]=4 77 B12R1.1392 NC(=O)NC1CCCCCCC1 S345083 [0,0,0,1,0,0|2,0,0]=3 78 B12R1.1392 O=C(O)CN1CCCCCCC1 T318949 [0,0,0,1,0,0|1,0,0]=2 79 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [2,0,0,0,0,0|0,0,2]=4 80 B9R0.2 COCCCCCC(=O)O CBR00492 [2,0,0,0,0,0|1,0,0]=3 81 B9R0.45 CCCCCCCCNC CDS003222 [2,0,0,0,0,0|1,0,1]=4 82 B9R0.45 CCCCCCCCON PH014161 [2,0,0,0,0,0|2,0,0]=4 83 B9R0.45 CCCCCCCC[Hg]Cl S572551 [2,0,0,0,0,0|2,0,0]=4 84 B9R0.45 CCCCCCSCCO S362344 [2,0,0,0,0,0|1,0,0]=3 85 B9R0.45 CCCCCNCCCC OTV000733 [2,0,0,0,0,0|1,0,1]=4 86 B9R0.45 CCCCNCCCCO PH011467 [2,0,0,0,0,0|1,0,0]=3 87 B9R0.45 N#CCCCCCCC=O PH008272 [2,0,0,0,0,0|1,0,1]=4 88 B11R0.2 CCCCCCC(C)CC(=O)O CDS011550 [1,1,0,0,0,0|0,0,0]=2 89 B11R0.30 CC(=O)NCCCCCC(=O)O PH010928 [1,1,0,0,0,0|1,0,1]=4 90 B11R0.40 C=CS(=O)CCCCCCCC R395390 [1,1,0,0,0,0|2,0,0]=4 91 B11R0.40 CCCCCCCCC(O)C#N PH007041 [1,1,0,0,0,0|1,0,1]=4 92 B11R0.40 CCCCCCCCC([NH3+])CO L498629 [1,1,0,0,0,0|1,0,1]=4 93 B11R0.42 CCCCCC/C=C(/C)\C(=O)O S489905 [1,1,0,0,0,0|0,0,2]=4 94 B11R0.42 CCCCCCCC(Br)C(=O)O PH002927 [1,1,0,0,0,0|0,0,0]=2 95 B11R0.42 CCCCCCCC(C)C(=O)O S874582 [1,1,0,0,0,0|0,0,0]=2 96 B11R0.46 CCCCCC(=O)CCC(=O)O T330051 [1,1,0,0,0,0|0,0,1]=3 97 B11R0.159 CCCCCCCCS(=O)(=O)N PH010261 [1,1,0,0,0,0|1,0,1]=4 98 B11R0.3 CC/C=C/CCCCCCCC PH003558 [1,1,0,0,0,0|1,0,1]=4 99 B11R0.3 CCCCCCCCCCC#N R750212 [1,1,0,0,0,0|1,0,1]=4 100 B11R0.3 CCCCCCCCCCSC S540161 [1,1,0,0,0,0|0,1,1]=4 101 B11R0.3 CCCCCCCCCC[Hg]Cl S572586 [1,1,0,0,0,0|1,0,1]=4 102 B11R0.3 CCCCCCCCCSCC S547158 [1,1,0,0,0,0|1,0,1]=4 103 B11R0.3 CCCCCCCCNCCN PH000414 [1,1,0,0,0,0|1,0,1]=4 104 B11R0.3 CCCCCCCCNCCN S235881 [1,1,0,0,0,0|1,0,1]=4 105 B11R0.3 CCCCCCCCNCCS PH012947 [1,1,0,0,0,0|0,1,1]=4 106 B11R0.3 COCCCCCCCCOC S344400 [1,1,0,0,0,0|1,0,1]=4 107 B11R0.81 CCCCCCC(C)NCCO CDS003690 [1,1,0,0,0,0|1,0,1]=4 108 B13R0.274 CCCCCCCC(C)NC(=O)CCl S377171 [0,2,0,0,0,0|2,0,0]=4 109 B13R0.335 CCCCCCCOC(=O)CC(=O)C S556904 [0,2,0,0,0,0|1,0,1]=4 110 B13R0.280 CCCCCCCCCCP(=O)(O)O T333360 [0,2,0,0,0,0|1,0,0]=3 111 B13R0.280 CCCCCCCCCCS(=O)(=O)Cl CDS001203 [0,2,0,0,0,0|1,0,1]=4 112 B13R0.1 CCCCCCC(=O)CCCC(=O)O S580511 [0,2,0,0,0,0|0,0,0]=2 113 B13R0.339 CCCCOC(=O)CCC(N)C(=O)O PH008960 [0,2,0,0,0,0|1,0,1]=4 114 B13R0.1398 CC(=O)CCCC(C)CCCC(C)C L299308 [0,2,0,0,0,0|1,0,0]=3 115 B13R0.1398 CC(=O)OCCC(C)CCCC(C)C S528072 [0,2,0,0,0,0|2,0,0]=4 116 B13R0.54 C=CCCCCCCCCOC(=O)C PH011353 [0,2,0,0,0,0|1,0,1]=4 117 B13R0.54 CCCCCCCCCCOC(=O)C S359947 [0,2,0,0,0,0|1,0,0]=3 118 B13R0.54 CCCCCCCCCNCC(=O)O PH014167 [0,2,0,0,0,0|0,0,0]=2 119 B13R0.54 CCCCCCCCOCCC(=O)O S530719 [0,2,0,0,0,0|0,0,0]=2 120 B13R0.54 CCCCCCCCSCCC(=O)O S233579 [0,2,0,0,0,0|0,0,0]=2 121 B13R0.54 CCCCOCCOCCOC(=O)N PH007315 [0,2,0,0,0,0|2,0,0]=4 122 B13R0.54 CCCCSCCCCCCC(=O)O R397334 [0,2,0,0,0,0|0,0,0]=2 123 B13R0.54 NC(=O)CCCCCCCCC#CBr S28879 [0,2,0,0,0,0|1,0,1]=4 124 B13R0.54 O=C(O)CCCCCCCCC#CBr S199974 [0,2,0,0,0,0|0,0,1]=3 125 B13R0.147 C=CCCCCCCCCC(=O)NO PH008204 [0,2,0,0,0,0|0,0,1]=3 126 B13R0.147 CCCCCCCCCCC([NH3+])CO L498645 [0,2,0,0,0,0|1,0,1]=4 127 B13R0.147 CCCCCCCCCOC(=O)CS S593966 [0,2,0,0,0,0|0,1,0]=3 128 B13R0.150 CCCCCCCCCC(=O)N(C)C CDS001534 [0,2,0,0,0,0|1,0,0]=3 129 B13R0.150 CCCCCCCCCC(C)C(=O)O PH003560 [0,2,0,0,0,0|0,0,0]=2 130 B13R0.179 CC(=O)CCCCCCCCC(=O)O S826499 [0,2,0,0,0,0|0,0,0]=2 131 B13R0.179 CC(Br)CCCCCCCCC(=O)O L203696 [0,2,0,0,0,0|0,0,0]=2 132 B13R0.179 NC(=O)CCCCCCCCC(=O)N R750662 [0,2,0,0,0,0|1,0,1]=4 133 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] CDS000582 [0,2,0,0,0,0|0,0,2]=4 134 B13R0.2 C(=C\CCC(=O)OCC)\CCCCC R277754 [0,2,0,0,0,0|0,0,2]=4 135 B13R0.2 CCCCCCCCCC(=O)CCC CDS000692 [0,2,0,0,0,0|1,0,0]=3 136 B13R0.2 CCCCCCCCNC(=O)CC#N S281050 [0,2,0,0,0,0|2,0,0]=4 137 B13R0.61 CCCCCCCCC(CC)C(=O)O PH002642 [0,2,0,0,0,0|0,0,0]=2 138 B13R0.413 CCCCCCCCC(C)(C)C(=O)O PH000380 [0,2,0,0,0,0|0,0,0]=2 139 B11R1.86 CC(=O)CN1CCCCC1C R433667 [1,0,0,1,0,0|2,0,0]=4 140 B11R1.86 CC1CCCCC1CC(=O)O L127892 [1,0,0,1,0,0|0,0,0]=2 141 B11R1.86 CC\1CCCC/C1=C\C(=O)O L128546 [1,0,0,1,0,0|0,0,2]=4 142 B11R1.86 CN1CCCNC1CC(=O)O PH016926 [1,0,0,1,0,0|2,0,0]=4 143 B11R1.91 CC(=O)CCN1CCCCC1 S429961 [1,0,0,1,0,0|2,0,0]=4 144 B11R1.91 NC(=O)CCC1CCCCC1 EME00450 [1,0,0,1,0,0|1,0,0]=3 145 B11R1.91 NC(=O)CCC1CCCNC1 CBR00857 [1,0,0,1,0,0|2,0,0]=4 146 B11R1.91 NC(=O)CCC1CCNCC1 CBR02356 [1,0,0,1,0,0|2,0,0]=4 147 B11R1.91 NC(=O)NCC1CCCCC1 S517046 [1,0,0,1,0,0|2,0,0]=4 148 B11R1.91 O=C(O)CCN1CCCCO1 CBR02338 [1,0,0,1,0,0|2,0,0]=4 149 B11R1.91 O=C(O)CCN1CCOCC1 L481122 [1,0,0,1,0,0|2,0,0]=4 150 B11R1.91 O=C(O)CNC1CCCCC1 PH010418 [1,0,0,1,0,0|1,0,0]=3 151 B11R1.101 O=C1C=CCCCCCCC1 T231835 [1,0,0,1,0,0|1,0,1]=4 152 B11R1.101 O=C1CCCCCCCCN1 S929964 [1,0,0,1,0,0|1,0,0]=3 153 B11R1.143 CN1CCCCCC1C(=O)O CBR00944 [1,0,0,1,0,0|1,0,0]=3 154 B11R1.172 O=C(O)COCC1CCCN1 CBR01410 [1,0,0,1,0,0|2,0,0]=4 155 B11R1.543 CC1(CCCCCCCC1)O T211540 [1,0,0,1,0,0|1,0,1]=4 156 B11R1.706 O=C(O)C1CCC=CCCC1 T179795 [1,0,0,1,0,0|0,0,2]=4 157 B11R1.742 NC(=O)NC1CCCCCC1 S344907 [1,0,0,1,0,0|2,0,0]=4 158 B11R1.742 O=C(O)CN1CCCCCC1 CBR00324 [1,0,0,1,0,0|1,0,0]=3 159 B11R1.4 C(=O)OCCCC1CCCO1 T177563 [1,0,0,1,0,0|2,0,0]=4 160 B11R1.4 CCCCOCC1CCCO1 S866369 [1,0,0,1,0,0|1,0,1]=4 161 B11R1.5 C(=O)O[C@@H]1CCOCC[C@H]1C T177296 [1,0,0,1,0,0|2,0,0]=4 162 B11R1.17 CC1CCCCN1CCCO S353426 [1,0,0,1,0,0|1,0,1]=4 163 B11R1.17 CCCCC1CCCCC1O S359122 [1,0,0,1,0,0|0,0,1]=3 164 B11R1.26 OCC1CCCCCCC1O T232882 [1,0,0,1,0,0|1,0,1]=4 165 B11R1.28 CCCCCC1CCCCC1 S431664 [1,0,0,1,0,0|1,0,1]=4 166 B11R1.28 CNCCCC1CCCCC1 PH010303 [1,0,0,1,0,0|2,0,0]=4 167 B11R1.28 N#CCCCC1CCCCC1 S432636 [1,0,0,1,0,0|1,0,1]=4 168 B11R1.28 NNCCCC1CCCCC1 PH019011 [1,0,0,1,0,0|2,0,0]=4 169 B11R1.41 CCCC\1CCCC/C1=N\O PH008814 [1,0,0,1,0,0|1,0,1]=4 170 B11R1.51 [C@@H]1(CCCCC[C@H]1CO)CO T192716 [1,0,0,1,0,0|1,0,1]=4 171 B11R1.92 C1CCCCCCCCCC1 T330035 [1,0,0,1,0,0|1,0,1]=4 172 B11R1.117 C(=O)OC1CCCCOCC1 T185612 [1,0,0,1,0,0|2,0,0]=4 173 B11R1.117 NCCC1CCCCCCC1 CBR01321 [1,0,0,1,0,0|1,0,1]=4 174 B11R1.180 CCCCCC1CCCC1=O S148938 [1,0,0,1,0,0|0,0,0]=2 175 B11R1.203 CCCCC1CCCCCN1 PH015579 [1,0,0,1,0,0|1,0,1]=4 176 B11R1.203 OCCCN1CCCCCC1 CBR00469 [1,0,0,1,0,0|1,0,1]=4 177 B13R1.158 O=C(O)CCCN1CCCCC1=O CBR00581 [0,1,0,1,0,0|1,0,1]=4 178 B13R1.3523 O=S(=O)(O)CCCN1CCCCC1 S551732 [0,1,0,1,0,0|2,0,0]=4 179 B13R1.547 COC(=O)[C@H]1CCCC[C@@H]1C(=O)O CDS021177 [0,1,0,1,0,0|1,0,1]=4 180 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)O CDS021319 [0,1,0,1,0,0|1,0,1]=4 181 B13R1.280 O=C(O)CCN1CCCCCC1=O CBR00470 [0,1,0,1,0,0|1,0,1]=4 182 B13R1.279 OC1C=CCCCCCCCCC1 T203130 [0,1,0,1,0,0|1,0,1]=4 183 B13R1.380 CCCC1CCCCC1CC(=O)O L128902 [0,1,0,1,0,0|0,0,0]=2 184 B13R1.528 COC(=O)CCC1CCCCC1=O S709735 [0,1,0,1,0,0|1,0,1]=4 185 B13R1.718 COC(=O)CCNC1CCOCC1 CDS023752 [0,1,0,1,0,0|2,0,0]=4 186 B13R1.3688 CCCCCCC1(CCC(=O)O1)C PH011389 [0,1,0,1,0,0|0,0,0]=2 187 B13R1.41 CCOC(=O)CCC1CCC(=O)O1 PH008738 [0,1,0,1,0,0|1,0,1]=4 188 B13R2.13132 O=C1CC2(CCCCCC2)CN1 CBR00301 [0,0,0,2,0,0|2,0,0]=4 189 B13R2.4719 O=C1CC2CCCCCC(C1)C2 T292923 [0,0,0,2,0,0|1,0,0]=3 190 B13R2.4719 [C@H]12CCCCC[C@H](C1)CC(=C)C2 T244996 [0,0,0,2,0,0|2,0,0]=4 191 B13R2.11128 O=C1CCCC2(C1)CCCCC2 S757470 [0,0,0,2,0,0|1,0,0]=3 192 B13R2.11128 O=C1CCCC2(O1)CCCCO2 T259403 [0,0,0,2,0,0|1,0,0]=3 193 B13R2.4787 [C@H]12CCCCCCCC1C(=O)N2 T179159 [0,0,0,2,0,0|1,0,0]=3 194 B13R2.4787 [C@H]12CCCCCCC[C@H]1C(=O)N2 T179191 [0,0,0,2,0,0|1,0,0]=3 195 B13R2.687 NC(=O)CC1CCC2C1CCC2 S955191 [0,0,0,2,0,0|1,0,0]=3 196 B13R2.5551 O=C(O)CCN1CC2CCC1C2 CBR02471 [0,0,0,2,0,0|1,0,0]=3 197 B13R2.34 O=C1CCC2CCCCC2(C1)O S291749 [0,0,0,2,0,0|2,0,0]=4 198 B13R2.4023 [C@H]12CCCCC[C@H]1C(=O)OC2=O T197939 [0,0,0,2,0,0|1,0,1]=4 199 B13R2.13776 O=C(O)C1C2C1CCCCC=C2 T171387 [0,0,0,2,0,0|0,0,2]=4