0 B13R0.54 CCCCCCCCC/C=C/C(=O)O Z336127680 [0,0,0,0,0,0|1,0,2]=3 1 B13R0.54 CCCCCCCCCCCC(=O)O Z104476194 [0,0,0,0,0,0|1,0,0]=1 2 B13R0.54 O=C(O)CCCCCCCCCCBr Z57953031 [0,0,0,0,0,0|2,0,0]=2 3 B12R0.5 CCCCCCCCCCCC#N Z966176448 [1,0,0,0,0,0|1,0,1]=3 4 B12R0.5 CCCCCCCCCCCCN Z104474358 [1,0,0,0,0,0|1,0,1]=3 5 B12R0.5 CCCCCCCCCCCCO Z104476554 [1,0,0,0,0,0|0,0,2]=3 6 B12R0.5 CCCCCCCCNCCCN Z600494288 [1,0,0,0,0,0|2,0,1]=4 7 B12R0.5 CCCCCCCCOCCCN Z1262237229 [1,0,0,0,0,0|2,0,1]=4 8 B12R0.5 CCCCCCNCCCCCC Z104475172 [1,0,0,0,0,0|2,0,1]=4 9 B12R0.5 NCCCCCCCCCCCO Z1198263294 [1,0,0,0,0,0|1,0,2]=4 10 B12R0.234 C=CCCCCCCCCC(=O)O Z104479700 [1,0,0,0,0,0|1,0,2]=4 11 B12R0.234 CCCCCCCCCCC(=O)O Z104473988 [1,0,0,0,0,0|1,0,0]=2 12 B12R0.234 CCCCCCCCOCC(=O)O Z362795602 [1,0,0,0,0,0|2,0,0]=3 13 B12R0.234 O=C(O)CCCCCCCCCO Z1255434772 [1,0,0,0,0,0|2,0,0]=3 14 B14R0.391 CCCCCCCCCC(C)CC(=O)O Z1434181484 [0,1,0,0,0,0|1,0,0]=2 15 B14R0.391 CCCCCCCCNC(=O)CC(=O)O Z1508936042 [0,1,0,0,0,0|2,0,1]=4 16 B14R1.159 NC1CCCCC1CCCCC(=O)O Z5628310222 [0,0,0,1,0,0|2,0,0]=3 17 B14R1.427 CC(=O)NCCCSCC1CCCC1 Z1599261125 [0,0,0,1,0,0|3,0,0]=4 18 B14R1.482 O=C(O)CCN1CCCCC1CCO Z53114585 [0,0,0,1,0,0|3,0,0]=4 19 B14R1.903 CSCCNC1CCCCC1C(=O)N Z1779353284 [0,0,0,1,0,0|3,0,0]=4 20 B14R1.1454 NC(=O)CCNC1CCCCCCC1 Z57030993 [0,0,0,1,0,0|2,0,0]=3 21 B14R1.6343 NC(=O)CCSCC1CCCCCC1 Z1675602022 [0,0,0,1,0,0|2,0,0]=3 22 B14R1.6388 O=C(O)CCCCCCCCC1CC1 Z1262515364 [0,0,0,1,0,0|1,0,0]=2 23 B14R1.6388 O=C(O)CCCCCCCCC1CO1 Z1486035990 [0,0,0,1,0,0|2,0,0]=3 24 B11R0.3 CCCCCCCCCCC=O Z993017862 [2,0,0,0,0,0|0,0,0]=2 25 B11R0.3 CCCCCCCCCCNC Z102767086 [2,0,0,0,0,0|1,0,1]=4 26 B11R0.3 CCCCCCCCSCCO Z425753146 [2,0,0,0,0,0|1,0,1]=4 27 B11R0.3 CCCCCCCNCCCO Z139305228 [2,0,0,0,0,0|1,0,1]=4 28 B11R0.148 CCCCCCCCCC(=O)O Z104474944 [2,0,0,0,0,0|1,0,0]=3 29 B11R0.148 CCCCCCCCNC(=O)C Z1509141066 [2,0,0,0,0,0|2,0,0]=4 30 B11R0.148 CCCCCCCNCC(=O)O Z1259273296 [2,0,0,0,0,0|2,0,0]=4 31 B13R0.336 OCCCCCCCCCCCCBr Z1259040916 [1,1,0,0,0,0|0,0,2]=4 32 B13R0.150 CCCCCCCCCC(O)C(=O)O Z1269030530 [1,1,0,0,0,0|1,0,0]=3 33 B13R0.280 CCCCCCCCCCP(=O)(C)C Z57683826 [1,1,0,0,0,0|2,0,0]=4 34 B13R0.335 CCCCCCCCC(C)CC(=O)O Z1269116031 [1,1,0,0,0,0|1,0,0]=3 35 B15R0.81 COC(=O)CCCCCCCCCCCO Z2718913196 [0,2,0,0,0,0|1,0,0]=3 36 B15R0.84 CCCCCCCCCCCC(O)C(=O)O Z2049964923 [0,2,0,0,0,0|1,0,0]=3 37 B15R0.1626 CCCCCCCCCCC(C)(C)C(=O)O Z1136505746 [0,2,0,0,0,0|1,0,0]=3 38 B15R0.164 CCCCCCCCCCCCCC(=O)O Z1954802504 [0,2,0,0,0,0|1,0,0]=3 39 B15R0.164 CCCCCCCCCCCCSC(=N)N Z436066530 [0,2,0,0,0,0|2,0,0]=4 40 B15R0.164 CCCCCCCCCCNCCC(=O)O Z1407659785 [0,2,0,0,0,0|1,0,0]=3 41 B15R0.210 CCCCC(=O)NCCCCCCC(=O)O Z224152162 [0,2,0,0,0,0|1,0,1]=4 42 B13R1.279 O=C1CCCCCCCCCCC1 Z104473098 [1,0,0,1,0,0|0,0,0]=2 43 B13R1.659 CCCCCCCCCCC1CO1 Z1255485282 [1,0,0,1,0,0|0,0,2]=4 44 B13R1.27 CCCCCCCC1CCC(=O)O1 Z90120148 [1,0,0,1,0,0|1,0,0]=3 45 B13R1.90 CCC1CCCCC1OCC(=O)O Z316259164 [1,0,0,1,0,0|2,0,0]=4 46 B13R1.167 NC1CCCC1CCCCC(=O)O Z5386737761 [1,0,0,1,0,0|2,0,0]=4 47 B13R1.337 NC(=O)CNCCC1CCCCC1 Z234895885 [1,0,0,1,0,0|2,0,0]=4 48 B13R1.337 O=C(O)CCCCN1CCCCC1 Z1270387209 [1,0,0,1,0,0|2,0,0]=4 49 B13R1.572 CCCCN1CCCCC1C(=O)O Z1665192314 [1,0,0,1,0,0|2,0,0]=4 50 B15R1.8894 CC(C)CC1CCCCCN1CC(=O)O Z1460002086 [0,1,0,1,0,0|2,0,0]=4 51 B15R1.131 CC1CCCCC1CNCCCS(=O)C Z1653531312 [0,1,0,1,0,0|2,0,0]=4 52 B15R1.962 O=C(CCl)NCCCOC1CCCCC1 Z561065914 [0,1,0,1,0,0|2,0,0]=4 53 B15R1.1091 CC1CCCCC1OCCNC(=O)CCl Z561608090 [0,1,0,1,0,0|2,0,0]=4 54 B15R1.12436 COC(=O)CCNC1CCCCCCC1 Z57030994 [0,1,0,1,0,0|2,0,0]=4 55 B15R1.1051 CCCCN1CCCCC1COC(=O)C Z1498706453 [0,1,0,1,0,0|2,0,0]=4 56 B15R1.1068 CCCCC1CCCC1NCCC(=O)O Z2329561214 [0,1,0,1,0,0|1,0,0]=3 57 B15R1.820 CCCC(C)C1CCCN1CCC(=O)O Z1465355058 [0,1,0,1,0,0|2,0,0]=4 58 B15R2.1668 NC(=O)CC1CCC2CNCCC2C1 Z3476966330 [0,0,0,2,0,0|2,0,0]=4 59 B15R2.1668 NC(=O)CN1CCC2CCCCC2C1 Z103909698 [0,0,0,2,0,0|2,0,0]=4 60 B15R2.1668 O=C(O)CC1CCC2CNCCC2C1 Z3409295009 [0,0,0,2,0,0|2,0,0]=4 61 B15R2.44190 O=C(O)CCNCC12CCCCC1C2 Z2503682813 [0,0,0,2,0,0|2,0,0]=4 62 B15R2.63 O=C(O)C1CCCC1C2CCNCC2 Z3379618440 [0,0,0,2,0,0|2,0,0]=4 63 B15R2.63 O=C(O)C1CCCN1C2CCCCC2 Z424763232 [0,0,0,2,0,0|2,0,0]=4 64 B15R2.63 O=C(O)C1CNCC1C2CCCCC2 Z1172378932 [0,0,0,2,0,0|2,0,0]=4 65 B15R2.1243 NC(=O)[C@@H]1CCC[C@@H]1NC2CCCC2 Z2235387992 [0,0,0,2,0,0|2,0,0]=4 66 B15R2.16385 O=C(O)C1CNCC12CCCCCC2 Z1172378938 [0,0,0,2,0,0|2,0,0]=4 67 B15R2.62 O=C(O)C1CCOCC12CCCCC2 Z2732759424 [0,0,0,2,0,0|2,0,0]=4 68 B15R2.68122 O=C(O)CC1CCCC2C1CCCC2 Z1198168834 [0,0,0,2,0,0|1,0,0]=3 69 B15R2.1221 O=C(O)C1CCCCC1C2CCCO2 Z2235790053 [0,0,0,2,0,0|2,0,0]=4 70 B15R2.1221 O=C(O)C1CCCCN1C2CCCC2 Z1881598283 [0,0,0,2,0,0|2,0,0]=4 71 B15R2.69618 O=C(O)C[C@]12CCCC[C@H]1NCCC2 Z3718282353 [0,0,0,2,0,0|2,0,0]=4