0 B10R0.79 CC(C)CN(CCO)CCO Z905423816 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.79 CCCC(=CC(=O)O)CCC Z352748434 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.79 CCCC(CCC)CC(=O)O Z352782862 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.79 O=C(O)CN(CCO)CCO Z336127920 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.14 CCCC(CC)CC(=O)O Z1198149106 [1,0,0,0,0,0|2,0,0]=3 5 B9R0.17 C#CCN(CCO)CCO Z138130118 [1,0,0,0,0,0|1,0,1]=3 6 B11R0.35 C#CCN(CC(=O)O)CC(=O)O Z2756012694 [0,1,0,0,0,0|1,0,2]=4 7 B11R0.47 C=C(Br)CN(CCO)CCCO Z1226809222 [0,1,0,0,0,0|2,0,0]=3 8 B11R0.95 OCCN(CCO)CC(F)(F)F Z382687612 [0,1,0,0,0,0|2,0,1]=4 9 B11R0.352 CCCC(O)(CCC)CC(=O)O Z982131968 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.34 CC1CN(CC(O1)C)CCO Z1695703942 [0,0,0,1,0,0|2,0,1]=4 11 B11R1.57 O=C(O)CN1CCCC1CO Z817025854 [0,0,0,1,0,0|1,0,0]=2 12 B11R1.80 O[C@H]1CN(C[C@H]1O)CC(F)F Z1318528896 [0,0,0,1,0,0|2,0,1]=4 13 B11R1.157 CC(O)CN1CCOC(C1)C Z600456248 [0,0,0,1,0,0|2,0,1]=4 14 B11R1.157 CC1CCCC(C1)CC(=O)O Z352783434 [0,0,0,1,0,0|3,0,0]=4 15 B11R1.157 CC1CCCN(C1)CC(=O)N Z54749656 [0,0,0,1,0,0|3,0,0]=4 16 B11R1.157 NC(=O)CN1CCCC(C1)N Z803145266 [0,0,0,1,0,0|3,0,0]=4 17 B11R1.157 NC1CCCC(C1)CC(=O)O Z5087190945 [0,0,0,1,0,0|3,0,0]=4 18 B11R1.157 O=C(O)CC1CCCC(C1)O Z1262524441 [0,0,0,1,0,0|2,0,0]=3 19 B11R1.193 C#CCN1CCC[C@H]1C(=O)O Z1079126050 [0,0,0,1,0,0|2,0,1]=4 20 B11R1.193 CCCC1CCCC1C(=O)O Z1434224393 [0,0,0,1,0,0|3,0,0]=4 21 B11R1.193 CCCC1CCNC1C(=O)O Z2217033073 [0,0,0,1,0,0|3,0,0]=4 22 B11R1.193 CCCN1CCCC1C(=O)O Z326520902 [0,0,0,1,0,0|2,0,0]=3 23 B11R1.742 CC(=O)CN1CCCCCC1 Z56041634 [0,0,0,1,0,0|3,0,0]=4 24 B11R1.742 NC(=O)CN1CCCNCC1 Z426041418 [0,0,0,1,0,0|3,0,0]=4 25 B11R1.742 NC(=O)CN1CCSSCC1 Z1505370510 [0,0,0,1,0,0|1,2,0]=4 26 B11R1.742 O=C(O)CC1CCCCCC1 Z352783664 [0,0,0,1,0,0|3,0,0]=4 27 B11R1.742 O=C(O)CC1CCCNCC1 Z2830496103 [0,0,0,1,0,0|3,0,0]=4 28 B11R1.742 O=C(O)CN1CCCCCC1 Z1171978829 [0,0,0,1,0,0|2,0,0]=3 29 B11R1.742 O=C(O)CN1CCCNCC1 Z1259161963 [0,0,0,1,0,0|2,0,0]=3 30 B9R0.15 CC(=O)N(CCO)CCO Z797582614 [0,0,0,0,1,0|1,0,0]=2 31 B9R0.15 CCCC(CCC)C(=O)O Z756391526 [0,0,0,0,1,0|3,0,0]=4 32 B9R0.15 NC(=O)N(CCO)CCO Z797584932 [0,0,0,0,1,0|1,0,0]=2 33 B9R0.15 NCCC(CCN)C(=O)O Z1415893857 [0,0,0,0,1,0|3,0,0]=4 34 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.5 CCCC(C)CC(=O)O Z352782810 [2,0,0,0,0,0|2,0,0]=4 36 B8R0.5 CCCC(O)CC(=O)O Z982132146 [2,0,0,0,0,0|2,0,0]=4 37 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [2,0,0,0,0,0|1,0,0]=3 38 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [2,0,0,0,0,0|1,0,1]=4 39 B8R0.16 CCC(CC)CC(=O)O Z352782266 [2,0,0,0,0,0|1,0,0]=3 40 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [2,0,0,0,0,0|0,0,0]=2 42 B10R0.87 CCCCC(CC)CC(=O)O Z839109290 [1,1,0,0,0,0|2,0,0]=4 43 B12R0.41 O=C(O)CN(CC(=O)O)CC(=O)O Z104475690 [0,2,0,0,0,0|0,0,2]=4 44 B10R1.10 CC1CN(CCO1)CCO Z425793840 [1,0,0,1,0,0|1,0,1]=4 45 B10R1.10 O=C1CN(CCN1)CCO Z197260950 [1,0,0,1,0,0|1,0,0]=3 46 B10R1.10 OCCN1CCCC(C1)O Z197276438 [1,0,0,1,0,0|1,0,1]=4 47 B10R1.18 CC(=O)CC1CCOCC1 Z992965782 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.18 C[C@@H](O)CN1CCOCC1 Z1585898729 [1,0,0,1,0,0|1,0,1]=4 49 B10R1.18 N=C(N)CN1CCOCC1 Z1741956349 [1,0,0,1,0,0|2,0,0]=4 50 B10R1.18 NC(=O)CN1CCNCC1 Z169506468 [1,0,0,1,0,0|2,0,0]=4 51 B10R1.18 O=C(O)C=C1CCOCC1 Z440605394 [1,0,0,1,0,0|1,0,1]=4 52 B10R1.18 O=C(O)CC1=CCOCC1 Z1205495477 [1,0,0,1,0,0|1,0,1]=4 53 B10R1.18 O=C(O)CC1CCCCC1 Z104486044 [1,0,0,1,0,0|2,0,0]=4 54 B10R1.18 O=C(O)CC1CCCOC1 Z445215100 [1,0,0,1,0,0|2,0,0]=4 55 B10R1.18 O=C(O)CC1CCOCC1 Z440605396 [1,0,0,1,0,0|1,0,0]=3 56 B10R1.18 O=C(O)CC1CCSCC1 Z826531570 [1,0,0,1,0,0|1,1,0]=4 57 B10R1.18 O=C(O)CN1CCCCC1 Z1171978832 [1,0,0,1,0,0|1,0,0]=3 58 B10R1.18 O=C(O)CN1CCNCC1 Z2887863329 [1,0,0,1,0,0|1,0,0]=3 59 B10R1.18 O=C(O)CN1CCOCC1 Z1270246390 [1,0,0,1,0,0|0,0,0]=2 60 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [1,0,0,1,0,0|2,0,0]=4 61 B10R1.39 CCC1CCNC1C(=O)O Z1262517253 [1,0,0,1,0,0|2,0,0]=4 62 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Z2525786659 [1,0,0,1,0,0|1,0,0]=3 63 B10R1.54 C=C(Br)CN1CC[C@H](C1)O Z1206290581 [1,0,0,1,0,0|2,0,0]=4 64 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [1,0,0,1,0,0|2,0,0]=4 65 B10R1.54 CC1CCN(C1)CC(=O)O Z1459983829 [1,0,0,1,0,0|1,0,0]=3 66 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Z3070901966 [1,0,0,1,0,0|2,0,0]=4 67 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [1,0,0,1,0,0|2,0,0]=4 68 B10R1.64 O=C(O)CN1CCOC1=O Z323040332 [1,0,0,1,0,0|0,0,2]=4 69 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Z2944218660 [1,0,0,1,0,0|2,0,0]=4 70 B10R1.374 CCC(CC(=O)O)C1CC1 Z1251220304 [1,0,0,1,0,0|2,0,0]=4 71 B10R1.374 CCN(CC(=O)O)C1CC1 Z1459968972 [1,0,0,1,0,0|1,0,0]=3 72 B10R1.4 NCCN1CCCOC1=O Z3244908592 [0,0,0,1,1,0|2,0,0]=4 73 B10R1.4 NCCN1CCOCC1=O Z2235820587 [0,0,0,1,1,0|2,0,0]=4 74 B10R1.4 O=C1CCCCN1CCO Z425794954 [0,0,0,1,1,0|2,0,0]=4 75 B10R1.4 O=C1COCCN1CCO Z1323533212 [0,0,0,1,1,0|1,0,0]=3 76 B10R1.4 O=C1NCCCN1CCO Z1203733014 [0,0,0,1,1,0|2,0,0]=4 77 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Z3335066881 [0,0,0,1,1,0|2,0,0]=4 78 B10R1.58 N[C@H]1C[C@H](C[C@H]1O)C(=O)O Z5062872452 [0,0,0,1,1,0|2,0,0]=4 79 B10R1.58 O=C(O)[C@@H]1C[C@@H]([C@@H](C1)O)O Z2704517658 [0,0,0,1,1,0|1,0,0]=3 80 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,0,0,1,1,0|2,0,0]=4 81 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,0,0,1,1,0|2,0,0]=4 82 B10R1.348 CC(=O)N1CCCOCC1 Z929561102 [0,0,0,1,1,0|2,0,0]=4 83 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [0,0,0,1,1,0|2,0,0]=4 84 B12R1.226 NC1CCCN(C1)CCC(=O)O Z4449634242 [0,0,0,1,0,1|2,0,0]=4 85 B12R1.226 O=C(O)CCC1CCCC(C1)O Z2195333402 [0,0,0,1,0,1|2,0,0]=4 86 B12R1.226 O=C(O)CC[C@H]1CCC[C@H](C1)O Z4606560762 [0,0,0,1,0,1|2,0,0]=4 87 B12R1.279 CCCN1CCCC(C1)C(=O)O Z197288180 [0,0,0,1,0,1|2,0,0]=4 88 B12R1.1343 O=C(O)CCN1CCCCCC1 Z1171978831 [0,0,0,1,0,1|2,0,0]=4 89 B12R1.101 CC1CN(CC(O1)C)CC(=O)N Z54753708 [0,1,0,1,0,0|2,0,0]=4 90 B12R1.392 O=C(O)CN1CCCC1C(=O)O Z2694339170 [0,1,0,1,0,0|1,0,1]=4 91 B12R1.1821 CC1(CC(CCO1)CC(=O)O)C Z1192343588 [0,1,0,1,0,0|2,0,0]=4 92 B12R1.1821 CC1(CN(CCN1)CC(=O)O)C Z5212931139 [0,1,0,1,0,0|2,0,0]=4 93 B12R1.283 CCCN1CCCCC1C(=O)O Z763030024 [0,1,0,1,0,0|2,0,0]=4 94 B12R1.438 CCC1CC(CCO1)CC(=O)O Z1192343584 [0,1,0,1,0,0|2,0,0]=4 95 B12R1.438 CCC1CCCN(C1)CC(=O)O Z1341228146 [0,1,0,1,0,0|2,0,0]=4 96 B12R1.438 CCC1CN(CCO1)CC(=O)N Z354574998 [0,1,0,1,0,0|2,0,0]=4 97 B12R1.225 CC(C(=O)O)N1CCCC(C1)O Z197276866 [0,1,0,1,0,0|1,0,0]=3 98 B12R1.225 O=C(O)C(=O)N1CCCC(C1)O Z818850294 [0,1,0,1,0,0|1,0,1]=4 99 B12R1.2197 CC(C(=O)O)N1CCCCCC1 Z1259339935 [0,1,0,1,0,0|2,0,0]=4 100 B12R1.50 COC(=O)CN1CCCC(C1)N Z3244658613 [0,1,0,1,0,0|2,0,0]=4 101 B12R1.1748 COC(=O)CN1CCCNCC1 Z1262254303 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.1362 O=C(O)[C@@H]1OC[C@H]2[C@@H]1CCC2 Z2754489611 [0,0,0,2,0,0|2,0,0]=4 103 B12R2.1661 O=C(O)CC1CC2CCC1O2 Z2284432456 [0,0,0,2,0,0|2,0,0]=4 104 B12R2.1661 O=C(O)CN1CC2CCC1C2 Z3595651078 [0,0,0,2,0,0|2,0,0]=4 105 B12R2.1356 O=C(O)C1CCCN1C2CC2 Z1895741358 [0,0,0,2,0,0|2,0,0]=4 106 B12R2.3066 O=C(O)C12CCCN1CCC2 Z1901071761 [0,0,0,2,0,0|2,0,0]=4 107 B8R0.15 CCCC(CC)C(=O)O Z756391368 [1,0,0,0,1,0|2,0,0]=4 108 B12R0.164 CCCN(CCC)CCCC(=O)O Z1259162178 [0,0,0,0,0,2|2,0,0]=4