0 B9R0.56 CC(=O)OCC[N+](C)(C)C Z600425176 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.56 CC(C)(C)CC#CC(=O)O Z1205495625 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.56 CC(C)(C)CCCC(=O)O Z819995404 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.56 CC(C)(C)CNCC(=O)O Z2526356733 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.56 CC(C)(C)NCCC(=O)N Z382711920 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.56 CC(C)(C)NCCC(=O)O Z235348197 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.56 C[N+](C)(C)CCOC(=O)N Z1255415481 [0,0,0,0,0,0|0,0,0]=0 7 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] Z1198155653 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.28 CC(C)CCNC(=N)N Z1089993920 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.28 CC(C)CCNC(=O)N Z56904577 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.28 CC(C)CCNC(=S)N Z56930716 [1,0,0,0,0,0|2,1,0]=4 12 B8R0.28 CC(C)CNCC(=O)N Z234894923 [1,0,0,0,0,0|3,0,0]=4 13 B10R0.31 CC(C)(C)CC(N)CC(=O)O Z1704732913 [0,1,0,0,0,0|3,0,0]=4 14 B10R0.31 CC(CC(=O)N)CC(C)(C)C Z741559976 [0,1,0,0,0,0|2,0,0]=3 15 B10R0.60 CC(C)(C)CCNC(=O)CCl Z561487404 [0,1,0,0,0,0|3,0,0]=4 16 B10R0.65 CC(=O)CCCC(C)(C)CO Z1513606539 [0,1,0,0,0,0|3,0,0]=4 17 B10R0.92 CC(C)(C)CCC(N)C(=O)N Z1889917254 [0,1,0,0,0,0|2,0,0]=3 18 B10R0.92 CC(C)(C)CCC(N)C(=O)O Z819991814 [0,1,0,0,0,0|3,0,0]=4 19 B10R0.92 CC(CCC(C)(C)C)C(=O)O Z819995662 [0,1,0,0,0,0|3,0,0]=4 20 B10R0.113 C[N+](C)(C)CCCS(=O)(=O)[O-] Z2375609319 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.55 CC(C)(C)C1CNC(=O)C1 Z1504686498 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.302 CC1(CCNC(=O)CC1)C Z1203733095 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.302 CC1(CCOC(=O)CC1)C Z1278923571 [0,0,0,1,0,0|2,0,0]=3 24 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.371 CC1(CC(C1)CC(=O)O)C Z1813149864 [0,0,0,1,0,0|3,0,0]=4 26 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [0,0,0,0,1,0|2,0,0]=3 27 B8R0.29 CC(C)(C)CCC(=N)N Z3481620976 [0,0,0,0,1,0|2,0,0]=3 28 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [0,0,0,0,1,0|2,0,0]=3 29 B8R0.29 CC(C)(C)CNC(=O)N Z763367008 [0,0,0,0,1,0|2,0,0]=3 30 B8R0.29 CC(C)(C)NCC(=O)N Z104690680 [0,0,0,0,1,0|2,0,0]=3 31 B8R0.29 CC(C)(C)OCC(=N)N Z1718361941 [0,0,0,0,1,0|3,0,0]=4 32 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [0,0,0,0,1,0|3,0,0]=4 33 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [0,0,0,0,1,0|3,0,0]=4 34 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [0,0,0,0,1,0|3,0,0]=4 35 B8R0.29 CC(C)(N)CNC(=O)N Z1198235624 [0,0,0,0,1,0|3,0,0]=4 36 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [0,0,0,0,1,0|3,0,0]=4 37 B10R0.15 CC(C)(C)CCCCC(=O)O Z1198156575 [0,0,0,0,0,1|3,0,0]=4 38 B10R0.15 CC(C)(C)OCCCC(=O)O Z362795386 [0,0,0,0,0,1|3,0,0]=4 39 B10R0.15 CC(C)(C)SCCCC(=O)O Z332377422 [0,0,0,0,0,1|3,0,0]=4 40 B10R0.15 C[N+](C)(C)CCCCC(=O)O Z1262519915 [0,0,0,0,0,1|2,0,0]=3 41 B7R0.4 C#CCCOC(=O)N Z1509495134 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.4 CCCCOC(=O)N Z104476286 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.4 COCCNC(=O)N Z56904572 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.4 NCCCOC(=O)N Z3337481796 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.8 CC(C)(C)CCCN Z819989370 [2,0,0,0,0,0|1,0,1]=4 46 B9R0.1 CN(C)CCOC(=O)CO Z3303138104 [1,1,0,0,0,0|1,0,1]=4 47 B9R0.10 CC(C)(C)C(N)CC(=O)O Z1582263789 [0,1,0,0,1,0|2,0,0]=4 48 B9R0.10 CC(CC(=O)O)C(C)(C)C Z352782682 [0,1,0,0,1,0|2,0,0]=4 49 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,1,0,0,1,0|2,0,0]=4 50 B9R0.57 CC(C)(C)CC(O)C(=O)O Z1041195612 [0,1,0,0,1,0|2,0,0]=4 51 B9R0.57 CC(CC(C)(C)C)C(=O)O Z1198149948 [0,1,0,0,1,0|2,0,0]=4 52 B9R0.64 CC(C)(CO)CCC(=O)[O-] Z4539765468 [0,1,0,0,1,0|2,0,0]=4 53 B9R0.77 CC(C)(C)CCS(=O)(=O)N Z734461456 [0,1,0,0,1,0|2,0,0]=4 54 B11R0.34 C[N+](C)(C)CC(O)CCC(=O)[O-] Z1896737076 [0,1,0,0,0,1|2,0,0]=4 55 B11R0.208 CC(C)(C)CC(C)(C)NC(=O)N Z839077184 [0,2,0,0,0,0|2,0,0]=4 56 B11R0.180 CCOC(=O)CCC[N+](C)(C)C Z1269233146 [0,2,0,0,0,0|2,0,0]=4 57 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.87 CC(C)(C)C1CC1C=O Z1511765666 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.133 CC1(CCC(C1)C=O)C Z1416223919 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.35 CC(C)C1CNC(=O)N1 Z1251362774 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.10 CC1(CCC(=O)NC1)C Z1203731224 [0,0,0,1,1,0|1,0,0]=3 62 B9R1.10 CC1(CNC(=O)CO1)C Z1509200706 [0,0,0,1,1,0|2,0,0]=4 63 B9R1.164 CC1(CC(C1)C(=O)O)C Z1198158394 [0,0,0,1,1,0|2,0,0]=4 64 B11R1.19 CC(C)(C)C1CCC(=O)NC1 Z1509179817 [0,1,0,1,0,0|2,0,0]=4 65 B11R1.19 CC(C)(C)C1CNC(=O)CN1 Z1813189863 [0,1,0,1,0,0|2,0,0]=4 66 B11R1.727 CC1(CCC(CN1)C(=O)N)C Z5093991254 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.79 CC(C)(C)C1CC(C(=O)N1)O Z3275454054 [0,1,0,1,0,0|2,0,0]=4 68 B11R1.79 CC(C)(C)[C@@H]1C[C@@H](C(=O)N1)N Z3481784011 [0,1,0,1,0,0|2,0,0]=4 69 B7R0.6 CC(C)CCC(=N)N Z2522503133 [1,0,0,0,1,0|2,0,0]=4 70 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,0,0,0,1,0|2,0,0]=4 71 B7R0.6 CC(C)CNC(=O)N Z56895708 [1,0,0,0,1,0|2,0,0]=4 72 B7R0.6 CC(C)NCC(=O)N Z56969693 [1,0,0,0,1,0|2,0,0]=4 73 B7R0.6 CN(C)CCC(=N)N Z2582511037 [1,0,0,0,1,0|1,0,1]=4 74 B7R0.6 CN(C)CCC(=O)N Z168912842 [1,0,0,0,1,0|0,0,1]=3 75 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,0,0,0,1,0|1,0,1]=4 76 B7R0.6 CN(C)CCC(=S)N Z370706836 [1,0,0,0,1,0|0,1,1]=4 77 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,0,0,0,2,0|2,0,0]=4 78 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,0,0,0,2,0|1,0,0]=3 79 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,0,0,0,2,0|2,0,0]=4 80 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,0,0,0,2,0|2,0,0]=4 81 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,0,0,0,2,0|1,0,0]=3 82 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,0,0,0,2,0|2,0,0]=4 83 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [1,0,0,0,0,1|2,0,0]=4 84 B9R0.55 CN(C)CCCNC(=O)N Z935140758 [1,0,0,0,0,1|1,0,1]=4