0 B12R0.234 CC(=O)NCCCCCCCCN S233641 [0,0,0,0,0,0|3,0,1]=4 1 B12R0.234 CCCCCCCCCCC(=N)N PH012196 [0,0,0,0,0,0|2,0,2]=4 2 B12R0.234 CCCCCCCCCNC(=S)N PH008429 [0,0,0,0,0,0|2,1,1]=4 3 B12R0.234 CCCCCCCCCOC(=O)C S364258 [0,0,0,0,0,0|2,0,1]=3 4 B12R0.234 CCCCCCCCCSC(=N)N PH011951 [0,0,0,0,0,0|3,0,1]=4 5 B12R0.234 CCCCCCCCNCC(=O)N PH010602 [0,0,0,0,0,0|2,0,1]=3 6 B12R0.234 CCCCCCCCOCC(=O)O PH010016 [0,0,0,0,0,0|1,0,1]=2 7 B12R0.234 N#CCCCCCCCCC(=O)O S367591 [0,0,0,0,0,0|1,0,3]=4 8 B11R0.3 CC/C=C/CCCCCCCC PH003558 [1,0,0,0,0,0|1,0,1]=3 9 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [1,0,0,0,0,0|0,0,2]=3 10 B11R0.148 CCCCCCCCC=C(C)C T293466 [1,0,0,0,0,0|2,0,0]=3 11 B11R0.148 CCCCCCCCCC(=N)N PH012191 [1,0,0,0,0,0|2,0,1]=4 12 B11R0.148 CCCCCCCCCC(=O)N S549878 [1,0,0,0,0,0|1,0,1]=3 13 B11R0.148 CCCCCCCCSC(=N)N S385239 [1,0,0,0,0,0|3,0,0]=4 14 B11R0.148 CCCCOCCOCC(=O)O CDS000206 [1,0,0,0,0,0|2,0,1]=4 15 B11R0.148 O=C(O)CCCCCCCCBr T333328 [1,0,0,0,0,0|1,0,1]=3 16 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [1,0,0,0,0,0|1,0,1]=3 17 B13R0.1 CCCCCCC(=O)CCCC(=O)O S580511 [0,1,0,0,0,0|0,0,3]=4 18 B13R0.54 CCCCCCCCCCOC(=O)C S359947 [0,1,0,0,0,0|1,0,2]=4 19 B13R0.54 CCCCCCCCCNCC(=O)O PH014167 [0,1,0,0,0,0|0,0,2]=3 20 B13R0.54 CCCCCCCCOCCC(=O)O S530719 [0,1,0,0,0,0|0,0,2]=3 21 B13R0.54 CCCCCCCCSCCC(=O)O S233579 [0,1,0,0,0,0|0,0,2]=3 22 B13R0.54 CCCCSCCCCCCC(=O)O R397334 [0,1,0,0,0,0|0,0,2]=3 23 B13R0.147 CCCCCCCCCOC(=O)CS S593966 [0,1,0,0,0,0|1,1,1]=4 24 B13R0.150 CCCCCCCCCC(C)C(=O)O PH003560 [0,1,0,0,0,0|0,0,2]=3 25 B13R0.154 CCCCCCOC(=O)/C=C/C(=O)O PH000583 [0,1,0,0,0,0|1,0,1]=3 26 B13R0.179 CC(=O)CCCCCCCCC(=O)O S826499 [0,1,0,0,0,0|0,0,3]=4 27 B13R0.179 CC(Br)CCCCCCCCC(=O)O L203696 [0,1,0,0,0,0|0,0,2]=3 28 B13R0.280 CCCCCCCCCCP(=O)(O)O T333360 [0,1,0,0,0,0|1,0,2]=4 29 B13R0.335 CCCCCCCOC(=O)CC(=O)C S556904 [0,1,0,0,0,0|2,0,1]=4 30 B13R1.279 OC1C=CCCCCCCCCC1 T203130 [0,0,0,1,0,0|1,0,1]=3 31 B13R1.380 C=CCC\1CCCC/C1=C\C(=O)O L127698 [0,0,0,1,0,0|0,0,2]=3 32 B13R1.380 CCCC1CCCCC1CC(=O)O L128902 [0,0,0,1,0,0|0,0,2]=3 33 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [2,0,0,0,0,0|0,0,2]=4 34 B10R0.4 CCCCCCC#CC(=O)O S354023 [2,0,0,0,0,0|0,0,2]=4 35 B10R0.4 CCCCCCCCC(=N)N PH012190 [2,0,0,0,0,0|2,0,0]=4 36 B10R0.4 CCCCCCCCC(=O)N S595268 [2,0,0,0,0,0|1,0,0]=3 37 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [2,0,0,0,0,0|1,0,1]=4 38 B10R0.4 CCCCCCCNC(=O)C R704377 [2,0,0,0,0,0|2,0,0]=4 39 B10R0.4 CCCCCCCNC(=O)N S516643 [2,0,0,0,0,0|2,0,0]=4 40 B12R0.248 C=CC(=O)OCCCCCCCC CDS004485 [1,1,0,0,0,0|2,0,0]=4 41 B12R0.255 CCCCCOC(=O)/C=C/C(=O)O PH000582 [1,1,0,0,0,0|1,0,1]=4 42 B12R0.268 CC(O)CCCCCCCC(=O)O S888087 [1,1,0,0,0,0|0,0,1]=3 43 B14R0.305 O=C(O)CCCCCCCCC(O)CO S489425 [0,2,0,0,0,0|0,0,2]=4 44 B14R0.340 CCCCCCCCCCC(N)C(=O)O PH003648 [0,2,0,0,0,0|0,0,2]=4 45 B14R0.340 CCCCCCCCCCC(O)C(=O)O S742805 [0,2,0,0,0,0|0,0,2]=4 46 B14R0.344 CCCCCCCCC(C)CCC(=O)O S874531 [0,2,0,0,0,0|0,0,2]=4 47 B14R0.344 CCCCCCCCS(=O)CCC(=O)O R395420 [0,2,0,0,0,0|0,0,2]=4 48 B14R0.391 CCCCCCCCNC(=O)CC(=O)C S561266 [0,2,0,0,0,0|1,0,1]=4 49 B14R0.391 CCCCCCCCOC(=O)CC(=O)C CDS000569 [0,2,0,0,0,0|1,0,1]=4 50 B14R0.394 N#CCCCCCCCCCCC(=O)O R277878 [0,2,0,0,0,0|0,0,2]=4 51 B14R0.2298 CCCCCCCCCC(C)(C)C(=O)O PH011129 [0,2,0,0,0,0|0,0,2]=4 52 B12R1.125 CN1CCCCC1CCC(=O)O CBR01004 [1,0,0,1,0,0|1,0,1]=4 53 B12R1.212 N[C@H]1CCCCCC[C@H]1C(=O)O BBO000396 [1,0,0,1,0,0|1,0,1]=4 54 B12R1.252 NC(=O)CCCC1CCCCC1 L159417 [1,0,0,1,0,0|1,0,1]=4 55 B12R1.252 O=C(O)CCCC1CCCCC1 S462837 [1,0,0,1,0,0|0,0,1]=3 56 B12R1.252 O=C(O)CCCN1CCCCC1 PH017094 [1,0,0,1,0,0|1,0,1]=4 57 B12R1.252 O=C(O)CCNC1CCCCC1 S373834 [1,0,0,1,0,0|1,0,1]=4 58 B12R1.252 O=C([O-])CCCC1CCCCC1 S462209 [1,0,0,1,0,0|0,0,2]=4 59 B12R1.1343 O=C(O)CCN1CCCCCC1 T318035 [1,0,0,1,0,0|1,0,1]=4 60 B12R1.1392 CC(=O)OC1CCCCCCC1 S345067 [1,0,0,1,0,0|2,0,0]=4 61 B12R1.1392 NC(=O)NC1CCCCCCC1 S345083 [1,0,0,1,0,0|2,0,0]=4 62 B12R1.1392 O=C(O)CN1CCCCCCC1 T318949 [1,0,0,1,0,0|1,0,1]=4 63 B14R1.96 COC1CCCCC1CCCC(=O)O PH007942 [0,1,0,1,0,0|0,0,2]=4 64 B14R1.422 O=C(O)CCCCCC1CCCCC1 PH003785 [0,1,0,1,0,0|0,0,2]=4 65 B14R1.6414 O=C(O)C1=CCCCCCCCCC1 S434426 [0,1,0,1,0,0|0,0,0]=2 66 B14R1.6414 O=C(O)C1CCCCCCCCCC1 S435244 [0,1,0,1,0,0|0,0,2]=4 67 B14R1.14 CCCCCCCC1=CC=C(C=C1)O CDS000684 [0,1,0,1,0,0|1,0,1]=4 68 B14R1.247 O=C1CCCCCCCCCCC1=O T209082 [0,1,0,1,0,0|1,0,1]=4 69 B14R1.247 O=C1CCCCCCCCCCC1O S565679 [0,1,0,1,0,0|0,0,2]=4 70 B14R1.423 C(=C\C(=O)NC1CCCCC1)\C(=O)O S393894 [0,1,0,1,0,0|1,0,1]=4 71 B14R1.10371 O=C(O)/C=C/C(=O)N1CCCCCC1 R697559 [0,1,0,1,0,0|1,0,1]=4