0 B10R0.31 C=C(C)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000748629 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.31 C=C(C)CN(C)C[N+](C)(C)C 269982a_100000225649_200000036245 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.31 C=C(F)CC(=O)C[N+](C)(C)C 1458a_100000033712_100009893438 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.31 CC(=O)CC(C)CC(C)(C)C 1458a_100000239893_200000210301 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.31 CC(=O)CC(O)C[N+](C)(C)C 1458a_100000070787_100000032816 [0,0,0,0,0,0|1,0,0]=1 5 B10R0.31 CC(=O)C[C@@H](O)C[N+](C)(C)C 1458a_100000004043_200000210301 [0,0,0,0,0,0|1,0,0]=1 6 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 11a_106358413534_100015343762 [0,0,0,0,0,0|4,0,0]=4 7 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 1626a_106358413534_100015343762 [0,0,0,0,0,0|4,0,0]=4 8 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 240690a_106358413534_100015343762 [0,0,0,0,0,0|4,0,0]=4 9 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 527a_106358413534_100103153847 [0,0,0,0,0,0|4,0,0]=4 10 B10R0.31 CC(C)(C)CC(=O)CC(=O)N 1458a_100000211214_100000187820 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.31 CC(C)(C)CC(=O)CC(=O)[O-] 1458a_100000211214_100020667443 [0,0,0,0,0,0|1,0,2]=3 12 B10R0.31 CC(C)(C)CC(=O)C[N+](=O)[O-] 1458a_100000211214_100000761209 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.31 CC(C)(O)CC(=O)CC(=O)[O-] 1458a_100000693243_100020667443 [0,0,0,0,0,0|2,0,2]=4 14 B10R0.31 CC(CC(=O)[13CH3])CC(C)(C)C 1458a_100000239893_200025704644 [0,0,0,0,0,0|3,0,0]=3 15 B10R0.31 CN(C)CC(O)C[N+](C)(C)C 2230a_100102631434_100000032816 [0,0,0,0,0,0|3,0,0]=3 16 B10R0.31 CN(C)CC(O)C[N+](C)(C)C 269982a_100102631434_100000032816 [0,0,0,0,0,0|3,0,0]=3 17 B10R0.31 CN(CC(=O)N)CC(C)(C)C 2230a_100000742839_100000747473 [0,0,0,0,0,0|4,0,0]=4 18 B10R0.31 CN(CC(=O)N)CC(C)(C)C 269982a_100000742839_100000187820 [0,0,0,0,0,0|4,0,0]=4 19 B10R0.31 CN(CC(=O)N)CC(C)(C)C 270004a_100000739694_100011204126 [0,0,0,0,0,0|4,0,0]=4 20 B10R0.31 CN(CC(=O)N)C[Si](C)(C)C 2230a_100000739694_100000037933 [0,0,0,0,0,0|4,0,0]=4 21 B10R0.31 CN(CC(=O)N)C[Si](C)(C)C 269982a_200020589227_100000187820 [0,0,0,0,0,0|4,0,0]=4 22 B10R0.31 CN(CC(=O)O)CC(C)(C)C 269956a_100000746989_100011219605 [0,0,0,0,0,0|3,0,1]=4 23 B10R0.31 CN(CC(=O)O)C[N+](C)(C)C 269956a_100000746989_200000036245 [0,0,0,0,0,0|2,0,1]=3 24 B10R0.31 CN(CC(=O)O)C[Si](C)(C)C 269956a_100000746989_100000037933 [0,0,0,0,0,0|3,0,1]=4 25 B10R0.31 CN(CC(=O)[O-])CC(C)(C)C 269982a_100000742839_100020667443 [0,0,0,0,0,0|3,0,0]=3 26 B10R0.31 CN(CC(=O)[O-])CC(C)(C)O 269982a_100000755907_100020667443 [0,0,0,0,0,0|4,0,0]=4 27 B10R0.31 CN(CC(=O)[O-])C[Si](C)(C)C 269982a_200020589227_100020667443 [0,0,0,0,0,0|3,0,0]=3 28 B10R0.31 CN(C[N+](=O)[O-])CC(C)(C)C 269982a_100000742839_100000761209 [0,0,0,0,0,0|4,0,0]=4 29 B10R0.31 CN(C[N+](=O)[O-])C[Si](C)(C)C 269982a_200020589227_100000761209 [0,0,0,0,0,0|4,0,0]=4 30 B10R0.31 C[N+](C)(C)CC(=O)CC(=O)N 1458a_100000033712_100000187820 [0,0,0,0,0,0|1,0,2]=3 31 B10R0.31 C[N+](C)(C)CC(=O)CC(=O)[O-] 1458a_100000033712_100020667443 [0,0,0,0,0,0|0,0,2]=2 32 B10R0.31 C[N+](C)(C)CC(=O)C[N+](=O)[O-] 1458a_100000033712_100000761209 [0,0,0,0,0,0|1,0,2]=3 33 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[13CH3] 1458a_100000004043_200025704644 [0,0,0,0,0,0|1,0,0]=1 34 B10R0.31 C[Si](C)(C)CC(=O)CC(=O)N 1458a_100011218504_100000187820 [0,0,0,0,0,0|2,0,2]=4 35 B10R0.31 C[Si](C)(C)CC(=O)CC(=O)N 1458a_100134613110_100000233785 [0,0,0,0,0,0|2,0,2]=4 36 B10R0.31 C[Si](C)(C)CC(=O)CC(=O)[O-] 1458a_100011218504_100020667443 [0,0,0,0,0,0|1,0,2]=3 37 B10R0.31 C[Si](C)(C)CC(=O)C[N+](=O)[O-] 1458a_100011218504_100000761209 [0,0,0,0,0,0|2,0,2]=4 38 B9R0.44 C=CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210623 [1,0,0,0,0,0|1,0,2]=4 39 B9R0.44 C=CCN(C)C[N+](C)(C)C 269982a_100000225617_200000036245 [1,0,0,0,0,0|3,0,0]=4 40 B9R0.44 CN(CC=O)CC(C)(C)C 2230a_100000742839_200015260668 [1,0,0,0,0,0|3,0,0]=4 41 B9R0.44 CN(CC=O)CC(C)(C)C 269982a_100000742839_200015260668 [1,0,0,0,0,0|3,0,0]=4 42 B9R0.44 CN(CC=O)C[Si](C)(C)C 269982a_200020589227_200015260668 [1,0,0,0,0,0|3,0,0]=4 43 B9R0.44 CNCC(O)C[N+](C)(C)C 2230a_106832991635_100000032816 [1,0,0,0,0,0|2,0,0]=3 44 B9R0.44 CNCC(O)C[N+](C)(C)C 34a_100102657272_100000032816 [1,0,0,0,0,0|2,0,0]=3 45 B9R0.44 CNCC(O)C[N+](C)(C)C 7a_106832991635_100000032816 [1,0,0,0,0,0|2,0,0]=3 46 B9R0.44 COCC(O)C[N+](C)(C)C 34a_100138415774_100000032816 [1,0,0,0,0,0|2,0,0]=3 47 B9R0.44 CSCC(O)C[N+](C)(C)C 62a_100000032816_200000210301 [1,0,0,0,0,0|2,0,0]=3 48 B9R0.44 CSCC(O)C[N+](C)(C)C 62a_200000210301_100000032816 [1,0,0,0,0,0|2,0,0]=3 49 B9R0.44 C[N+](C)(C)CC(O)CS[13CH3] 62a_100000032816_200025704644 [1,0,0,0,0,0|2,0,0]=3 50 B9R0.44 C[N+](C)(C)CC(O)CS[13CH3] 62a_200025704644_100000032816 [1,0,0,0,0,0|2,0,0]=3 51 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [1,0,0,0,0,0|1,0,2]=4 52 B9R0.53 CC(C)CN(C)CC(=O)[O-] 269982a_100000747067_100020667443 [1,0,0,0,0,0|3,0,0]=4 53 B9R0.53 CN(C)CC(=O)CC(=O)[O-] 1458a_100000750896_100020667443 [1,0,0,0,0,0|0,0,3]=4 54 B9R0.53 C[S+](C)CC(=O)CC(=O)[O-] 1458a_200159257847_100020667443 [1,0,0,0,0,0|1,0,2]=4 55 B9R0.56 C=C(C)CSC[N+](C)(C)C 62a_100000748629_200000036245 [1,0,0,0,0,0|3,0,0]=4 56 B9R0.56 C=C(C)CSC[N+](C)(C)C 62a_200000036245_100000211660 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.56 C=C(F)CSC[N+](C)(C)C 62a_100000042424_200000036245 [1,0,0,0,0,0|3,0,0]=4 58 B9R0.56 C=C(F)CSC[N+](C)(C)C 62a_200000036245_100000042424 [1,0,0,0,0,0|3,0,0]=4 59 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000070787_100016990835 [1,0,0,0,0,0|1,0,0]=2 60 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000085584_200000210301 [1,0,0,0,0,0|1,0,0]=2 61 B9R0.56 CC(=O)CCC[Si](C)(C)C 1458a_100000070787_100011219597 [1,0,0,0,0,0|2,0,0]=3 62 B9R0.56 CC(=O)CCOC(C)(C)C 34a_100000759926_100000210625 [1,0,0,0,0,0|3,0,0]=4 63 B9R0.56 CC(=O)CCOC(C)(C)C 7a_100015890283_100000053229 [1,0,0,0,0,0|3,0,0]=4 64 B9R0.56 CC(=O)CCO[Si](C)(C)C 1458a_100000070787_200000032530 [1,0,0,0,0,0|3,0,0]=4 65 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000053229_100000211941 [1,0,0,0,0,0|3,0,0]=4 66 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000211941_100000053229 [1,0,0,0,0,0|3,0,0]=4 67 B9R0.56 CC(=O)COCC(C)(C)C 34a_100000211253_100011219605 [1,0,0,0,0,0|3,0,0]=4 68 B9R0.56 CC(=O)NCCC(C)(C)C 11a_100000738805_100015343762 [1,0,0,0,0,0|3,0,0]=4 69 B9R0.56 CC(=O)NCCC(C)(C)C 1626a_100000738805_100015343762 [1,0,0,0,0,0|3,0,0]=4 70 B9R0.56 CC(=O)NCCC(C)(C)C 240690a_100000738805_100015343762 [1,0,0,0,0,0|3,0,0]=4 71 B9R0.56 CC(=O)NCCC(C)(C)C 527a_100000738805_100103153847 [1,0,0,0,0,0|3,0,0]=4 72 B9R0.56 CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100015343762 [1,0,0,0,0,0|2,0,0]=3 73 B9R0.56 CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100015343762 [1,0,0,0,0,0|2,0,0]=3 74 B9R0.56 CC(=O)NCC[N+](C)(C)C 527a_100000106457_100103153847 [1,0,0,0,0,0|2,0,0]=3 75 B9R0.56 CC(C)(C)CNCC(=O)N 2230a_100000743828_100000747473 [1,0,0,0,0,0|3,0,0]=4 76 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [1,0,0,0,0,0|2,0,1]=4 77 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100000747473_100011219605 [1,0,0,0,0,0|3,0,0]=4 78 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100011219605_100000747473 [1,0,0,0,0,0|3,0,0]=4 79 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100011219605_100020667443 [1,0,0,0,0,0|2,0,0]=3 80 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100020667443_100011219605 [1,0,0,0,0,0|2,0,0]=3 81 B9R0.56 CC(C)(C)CSC[N+](=O)[O-] 62a_100011219605_100000761209 [1,0,0,0,0,0|3,0,0]=4 82 B9R0.56 CC(C)(C)NCCC(=O)N 2230a_100000715429_100000744528 [1,0,0,0,0,0|3,0,0]=4 83 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100000757172_100000210625 [1,0,0,0,0,0|3,0,0]=4 84 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100015890283_100000731001 [1,0,0,0,0,0|3,0,0]=4 85 B9R0.56 CC(C)(C)OCCC(=O)N 7a_100015890283_100000744528 [1,0,0,0,0,0|3,0,0]=4 86 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000211941_100000744528 [1,0,0,0,0,0|3,0,0]=4 87 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000744528_100000211941 [1,0,0,0,0,0|3,0,0]=4 88 B9R0.56 CC(C)(F)COCC(=O)[O-] 34a_100000716592_100020667443 [1,0,0,0,0,0|3,0,0]=4 89 B9R0.56 CC(C)(F)CSCC(=O)[O-] 62a_100011997219_100020667443 [1,0,0,0,0,0|3,0,0]=4 90 B9R0.56 CC(C)(F)CSCC(=O)[O-] 62a_100020667443_100011997219 [1,0,0,0,0,0|3,0,0]=4 91 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100000764493_100020667443 [1,0,0,0,0,0|3,0,0]=4 92 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100020667443_100000764493 [1,0,0,0,0,0|3,0,0]=4 93 B9R0.56 CN(C)CCC[N+](C)(C)C 2230a_100102631434_100016990835 [1,0,0,0,0,0|3,0,0]=4 94 B9R0.56 CN(C)CCC[N+](C)(C)C 269982a_100102631434_100016990835 [1,0,0,0,0,0|3,0,0]=4 95 B9R0.56 C[N+](C)(C)CCCC(=O)[13CH3] 1458a_100000085584_200025704644 [1,0,0,0,0,0|1,0,0]=2 96 B9R0.56 C[N+](C)(C)CNCC(=O)O 269956a_100016091260_200000036245 [1,0,0,0,0,0|1,0,1]=3 97 B9R0.56 C[N+](C)(C)CSCC(=O)N 62a_100000747473_200000036245 [1,0,0,0,0,0|2,0,0]=3 98 B9R0.56 C[N+](C)(C)CSCC(=O)N 62a_200000036245_100000747473 [1,0,0,0,0,0|2,0,0]=3 99 B9R0.56 C[N+](C)(C)CSCC(=O)[O-] 62a_100020667443_200000036245 [1,0,0,0,0,0|1,0,0]=2 100 B9R0.56 C[N+](C)(C)CSCC(=O)[O-] 62a_200000036245_100020667443 [1,0,0,0,0,0|1,0,0]=2 101 B9R0.56 C[N+](C)(C)CSC[N+](=O)[O-] 62a_200000036245_100000761209 [1,0,0,0,0,0|2,0,0]=3 102 B9R0.56 C[Si](C)(C)CNCC(=O)N 2230a_100000711301_100000037933 [1,0,0,0,0,0|3,0,0]=4 103 B9R0.56 C[Si](C)(C)CNCC(=O)O 269956a_100016091260_100000037933 [1,0,0,0,0,0|2,0,1]=4 104 B9R0.56 C[Si](C)(C)CSCC(=O)N 62a_100000037933_100000747473 [1,0,0,0,0,0|3,0,0]=4 105 B9R0.56 C[Si](C)(C)CSCC(=O)N 62a_100000747473_100000037933 [1,0,0,0,0,0|3,0,0]=4 106 B9R0.56 C[Si](C)(C)CSCC(=O)[O-] 62a_100000037933_100020667443 [1,0,0,0,0,0|2,0,0]=3 107 B9R0.56 C[Si](C)(C)CSCC(=O)[O-] 62a_100020667443_100000037933 [1,0,0,0,0,0|2,0,0]=3 108 B9R0.56 C[Si](C)(C)CSC[N+](=O)[O-] 62a_100000037933_100000761209 [1,0,0,0,0,0|3,0,0]=4 109 B11R0.51 CC(C)(C)[C@H](O)C(=O)CC(=O)[O-] 1458a_100009816492_100020667443 [0,1,0,0,0,0|1,0,2]=4 110 B11R0.51 CC(N(C)CC(=O)[O-])C(C)(C)C 269982a_100000745498_100020667443 [0,1,0,0,0,0|3,0,0]=4 111 B11R0.119 C#CC(=O)CC(O)C[N+](C)(C)C 1458a_100000211873_100000032816 [0,1,0,0,0,0|1,0,0]=2 112 B11R0.119 C=CC(=O)CC(O)C[N+](C)(C)C 1458a_100000185746_100000032816 [0,1,0,0,0,0|1,0,0]=2 113 B11R0.119 CC(CC(=O)CF)CC(C)(C)C 1458a_100000239893_100015361967 [0,1,0,0,0,0|3,0,0]=4 114 B11R0.119 CCC(=O)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000747405 [0,1,0,0,0,0|1,0,2]=4 115 B11R0.119 CCC(=O)CC(C)CC(C)(C)C 1458a_100000239893_100000210202 [0,1,0,0,0,0|3,0,0]=4 116 B11R0.119 CCC(=O)CC(O)C[N+](C)(C)C 1458a_100000210414_100000032816 [0,1,0,0,0,0|1,0,0]=2 117 B11R0.119 CCC(=O)C[C@@H](O)C[N+](C)(C)C 1458a_100000004043_100000210202 [0,1,0,0,0,0|1,0,0]=2 118 B11R0.119 CCN(C)CC(O)C[N+](C)(C)C 2230a_100000225621_100000032816 [0,1,0,0,0,0|3,0,0]=4 119 B11R0.119 CCN(C)CC(O)C[N+](C)(C)C 269982a_100000225621_100000032816 [0,1,0,0,0,0|3,0,0]=4 120 B11R0.119 CNC(=O)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000183359 [0,1,0,0,0,0|1,0,2]=4 121 B11R0.119 CNC(=O)CC(C)CC(C)(C)C 11a_106832991635_100000239893 [0,1,0,0,0,0|3,0,0]=4 122 B11R0.119 CNC(=O)CC(C)CC(C)(C)C 1626a_100102657272_100000239893 [0,1,0,0,0,0|3,0,0]=4 123 B11R0.119 CNC(=O)CC(C)CC(C)(C)C 240690a_100102657272_100000239893 [0,1,0,0,0,0|3,0,0]=4 124 B11R0.119 CNC(=O)CC(C)CC(C)(C)C 527a_100102657272_100000239893 [0,1,0,0,0,0|3,0,0]=4 125 B11R0.119 CNC(=O)C[C@@H](O)C[N+](C)(C)C 1626a_100102657272_100000004043 [0,1,0,0,0,0|1,0,0]=2 126 B11R0.119 CNC(=O)C[C@@H](O)C[N+](C)(C)C 240690a_100102657272_100000004043 [0,1,0,0,0,0|1,0,0]=2 127 B11R0.119 COC(=O)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000747449 [0,1,0,0,0,0|0,0,3]=4 128 B11R0.119 C[N+](C)(C)CC(O)CC(=O)CO 1458a_100000210174_100000032816 [0,1,0,0,0,0|0,0,1]=2 129 B11R0.119 C[N+](C)(C)C[C@H](O)CC(=O)CF 1458a_100000004043_100015361967 [0,1,0,0,0,0|1,0,0]=2 130 B11R0.274 CC(C)(C)CN(CO)CC(=O)[O-] 269956a_100016989150_100011219605 [0,1,0,0,0,0|2,0,0]=3 131 B11R0.274 CC(C)(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000211941 [0,1,0,0,0,0|2,0,1]=4 132 B11R0.274 CC(C)(F)CN(CO)CC(=O)[O-] 269956a_100016989150_100011997219 [0,1,0,0,0,0|3,0,0]=4 133 B11R0.274 CC(C)(O)CN(CO)CC(=O)[O-] 269956a_100016989150_100000764493 [0,1,0,0,0,0|3,0,0]=4 134 B11R0.274 CCN(CC(=O)O)C[N+](C)(C)C 269956a_100000746405_200000036245 [0,1,0,0,0,0|2,0,1]=4 135 B11R0.274 CCN(CC(=O)[O-])CC(C)(C)C 269982a_100000732750_100020667443 [0,1,0,0,0,0|3,0,0]=4 136 B11R0.274 C[N+](C)(C)CN(CO)CC(=O)[O-] 269956a_100016989150_200000036245 [0,1,0,0,0,0|1,0,0]=2 137 B11R0.274 C[Si](C)(C)CN(CO)CC(=O)[O-] 269956a_100016989150_100000037933 [0,1,0,0,0,0|2,0,0]=3 138 B11R0.300 CCC(C)(C)CC(=O)CC(=O)[O-] 1458a_200000763500_100020667443 [0,1,0,0,0,0|1,0,2]=4 139 B11R0.300 CN(CC(=O)[O-])CC(C)(C)CO 269982a_100000732702_100020667443 [0,1,0,0,0,0|3,0,0]=4 140 B11R0.308 CC(=O)C(C)C(=O)C[N+](C)(C)C 1458a_100000033712_100000179758 [0,1,0,0,0,0|1,0,2]=4 141 B11R0.308 CC(C(=O)N)C(=O)C[N+](C)(C)C 1458a_100000033712_100000702099 [0,1,0,0,0,0|1,0,2]=4 142 B11R0.308 CC(C(=O)O)N(C)C[N+](C)(C)C 269956a_100000749554_200000036245 [0,1,0,0,0,0|2,0,1]=4 143 B11R0.308 CC(C)(C)CC(=O)C(F)C(=O)[O-] 1458a_100000211214_100020610796 [0,1,0,0,0,0|1,0,2]=4 144 B11R0.308 C[N+](C)(C)CC(=O)C(F)C(=O)N 1458a_100000033712_100009813875 [0,1,0,0,0,0|1,0,2]=4 145 B11R0.308 C[N+](C)(C)CC(=O)C(F)C(=O)[O-] 1458a_100000033712_100020610796 [0,1,0,0,0,0|0,0,2]=3 146 B11R0.308 C[Si](C)(C)CC(=O)C(F)C(=O)[O-] 1458a_100011218504_100020610796 [0,1,0,0,0,0|1,0,2]=4 147 B11R0.359 C[N+](C)(C)CC(=O)CS(=O)(=O)[O-] 1458a_100000033712_100009817235 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.710 CC1(CCN(C1)CC(=O)[O-])C 269982a_100000764714_100020667443 [0,0,0,1,0,0|3,0,0]=4 149 B11R1.728 CC1(CC1)CC(=O)CC(=O)[O-] 1458a_100000112800_100020667443 [0,0,0,1,0,0|1,0,2]=4 150 B11R1.1263 CC1(C[C@@H]1C(=O)CC(=O)[O-])C 1458a_100000692687_100020667443 [0,0,0,1,0,0|1,0,2]=4 151 B9R0.10 CC(C)(C)C(=O)CC(=O)[O-] 1458a_106744555173_100020667443 [0,0,0,0,1,0|1,0,2]=4 152 B9R0.10 CN(CC(=O)[O-])C(C)(C)C 269982a_100011215553_100020667443 [0,0,0,0,1,0|3,0,0]=4 153 B9R0.57 CC(C)(C)OC(F)C(=O)[O-] 34a_100015890283_100020610796 [0,0,0,0,1,0|3,0,0]=4 154 B9R0.57 CC(C)(C)SC(F)C(=O)[O-] 62a_100000211941_100020610796 [0,0,0,0,1,0|3,0,0]=4 155 B9R0.57 CC(C)(C)SC(F)C(=O)[O-] 62a_100020610796_100000211941 [0,0,0,0,1,0|3,0,0]=4 156 B11R0.34 CC(C)NCC(O)C[N+](C)(C)C 2230a_100138425928_100000032816 [0,0,0,0,0,1|2,0,1]=4 157 B11R0.34 CC(C)NCC(O)C[N+](C)(C)C 34a_100138425928_100000032816 [0,0,0,0,0,1|2,0,1]=4 158 B11R0.34 CC(C)OCC(O)C[N+](C)(C)C 34a_100000212225_100000032816 [0,0,0,0,0,1|2,0,1]=4 159 B11R0.34 CC(C)SCC(O)C[N+](C)(C)C 62a_100000032816_100000210206 [0,0,0,0,0,1|2,0,1]=4 160 B11R0.34 CC(C)SCC(O)C[N+](C)(C)C 62a_100000210206_100000032816 [0,0,0,0,0,1|2,0,1]=4 161 B11R0.34 CC(CC(C)(C)C)OCC(=O)N 7a_200011218616_100000187820 [0,0,0,0,0,1|3,0,0]=4 162 B11R0.34 C[C@@H](CC(C)(C)C)NCC(=O)N 2230a_106358413534_100000747473 [0,0,0,0,0,1|3,0,0]=4 163 B11R0.34 C[N+](C)(C)CC(=O)NCC(=O)N 11a_100000711301_100000033712 [0,0,0,0,0,1|1,0,2]=4 164 B11R0.34 C[N+](C)(C)CC(=O)NCC(=O)N 240690a_100000711301_100000033712 [0,0,0,0,0,1|1,0,2]=4 165 B11R0.34 C[N+](C)(C)CC(=O)NCC(=O)N 527a_100000711301_100000033712 [0,0,0,0,0,1|1,0,2]=4 166 B11R0.337 CC(=O)OC(C)SC[N+](C)(C)C 62a_100009818208_200000036245 [0,0,0,0,0,1|3,0,0]=4 167 B11R0.337 CC(=O)OC(C)SC[N+](C)(C)C 62a_200000036245_100009818208 [0,0,0,0,0,1|3,0,0]=4 168 B11R0.337 CC(C)(C)CCC(=O)CC(=O)[O-] 1458a_100000757465_100020667443 [0,0,0,0,0,1|1,0,2]=4 169 B11R0.337 CC(C)(C)NCC(O)CC(=O)O 269956a_100011218706_100000211941 [0,0,0,0,0,1|1,0,1]=3 170 B11R0.337 CC(C)(C)OCC(=O)CC(=O)[O-] 1458a_100000686494_100020667443 [0,0,0,0,0,1|1,0,2]=4 171 B11R0.337 CN(CC[N+](C)(C)C)CC(=O)O 269956a_100000746989_100000085578 [0,0,0,0,0,1|2,0,1]=4 172 B11R0.337 C[N+](C)(C)CCC(=O)CC(=O)N 1458a_100134613110_100000085578 [0,0,0,0,0,1|1,0,2]=4 173 B11R0.337 C[Si](C)(C)CCC(=O)CC(=O)[O-] 1458a_100011215282_100020667443 [0,0,0,0,0,1|1,0,2]=4 174 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [2,0,0,0,0,0|0,0,2]=4 175 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [2,0,0,0,0,0|0,0,2]=4 176 B8R0.21 C=CCSC[N+](C)(C)C 62a_100000210623_200000036245 [2,0,0,0,0,0|2,0,0]=4 177 B8R0.21 C=CCSC[N+](C)(C)C 62a_200000036245_100000210623 [2,0,0,0,0,0|2,0,0]=4 178 B8R0.21 CC(C)(C)CNCC=O 2230a_100000743828_200015260668 [2,0,0,0,0,0|2,0,0]=4 179 B8R0.21 CC(C)(C)CSCC=O 62a_100011219605_200015260668 [2,0,0,0,0,0|2,0,0]=4 180 B8R0.21 CC(C)(C)CSCC=O 62a_200015260668_100011219605 [2,0,0,0,0,0|2,0,0]=4 181 B8R0.21 CNCCC[N+](C)(C)C 2230a_106832991635_100016990835 [2,0,0,0,0,0|2,0,0]=4 182 B8R0.21 CNCCC[N+](C)(C)C 34a_100102657272_100016990835 [2,0,0,0,0,0|2,0,0]=4 183 B8R0.21 CNCCC[N+](C)(C)C 7a_106832991635_100016990835 [2,0,0,0,0,0|2,0,0]=4 184 B8R0.21 COCCC[N+](C)(C)C 34a_100138415774_100016990835 [2,0,0,0,0,0|2,0,0]=4 185 B8R0.21 CSCCC[N+](C)(C)C 62a_100016990835_200000210301 [2,0,0,0,0,0|2,0,0]=4 186 B8R0.21 CSCCC[N+](C)(C)C 62a_200000210301_100016990835 [2,0,0,0,0,0|2,0,0]=4 187 B8R0.21 C[N+](C)(C)CCCS[13CH3] 62a_100016990835_200025704644 [2,0,0,0,0,0|2,0,0]=4 188 B8R0.21 C[N+](C)(C)CCCS[13CH3] 62a_200025704644_100016990835 [2,0,0,0,0,0|2,0,0]=4 189 B8R0.21 C[N+](C)(C)CSCC=O 62a_200000036245_200015260668 [2,0,0,0,0,0|1,0,0]=3 190 B8R0.21 C[N+](C)(C)CSCC=O 62a_200015260668_200000036245 [2,0,0,0,0,0|1,0,0]=3 191 B8R0.21 C[Si](C)(C)CSCC=O 62a_100000037933_200015260668 [2,0,0,0,0,0|2,0,0]=4 192 B8R0.21 C[Si](C)(C)CSCC=O 62a_200015260668_100000037933 [2,0,0,0,0,0|2,0,0]=4 193 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [2,0,0,0,0,0|2,0,0]=4 194 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [2,0,0,0,0,0|2,0,0]=4 195 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [2,0,0,0,0,0|1,0,1]=4 196 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [2,0,0,0,0,0|1,0,1]=4 197 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [2,0,0,0,0,0|2,0,0]=4 198 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [2,0,0,0,0,0|2,0,0]=4 199 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [2,0,0,0,0,0|2,0,0]=4 200 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [2,0,0,0,0,0|2,0,0]=4 201 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [2,0,0,0,0,0|2,0,0]=4 202 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [2,0,0,0,0,0|1,0,1]=4 203 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [2,0,0,0,0,0|0,0,2]=4 204 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [2,0,0,0,0,0|0,0,2]=4 205 B10R0.28 CC(CC(C)(C)C)OCC=O 7a_200011218616_200015260668 [1,1,0,0,0,0|2,0,0]=4 206 B10R0.28 CCNCC(O)C[N+](C)(C)C 2230a_100015525214_100000032816 [1,1,0,0,0,0|1,0,1]=4 207 B10R0.28 CCOCC(O)C[N+](C)(C)C 34a_100121572206_100000032816 [1,1,0,0,0,0|1,0,1]=4 208 B10R0.28 CCSCC(O)C[N+](C)(C)C 62a_100000032816_100000210202 [1,1,0,0,0,0|1,0,1]=4 209 B10R0.28 CCSCC(O)C[N+](C)(C)C 62a_100000210202_100000032816 [1,1,0,0,0,0|1,0,1]=4 210 B10R0.28 C[C@@H](CC(C)(C)C)NCC=O 2230a_106358413534_200015260668 [1,1,0,0,0,0|2,0,0]=4 211 B10R0.28 C[N+](C)(C)CC(O)CSCF 62a_100000032816_100015361967 [1,1,0,0,0,0|1,0,1]=4 212 B10R0.28 C[N+](C)(C)CC(O)CSCF 62a_100015361967_100000032816 [1,1,0,0,0,0|1,0,1]=4 213 B10R0.70 CC(C)CN(CO)CC(=O)[O-] 269956a_100016989150_100000210760 [1,1,0,0,0,0|2,0,0]=4 214 B10R0.60 C#CC(=O)CCC[N+](C)(C)C 1458a_100000211873_100016990835 [1,1,0,0,0,0|1,0,0]=3 215 B10R0.60 C#CC(=O)CCC[Si](C)(C)C 1458a_100000211873_100011219597 [1,1,0,0,0,0|2,0,0]=4 216 B10R0.60 C=CC(=O)CCC[N+](C)(C)C 1458a_100000185746_100016990835 [1,1,0,0,0,0|1,0,0]=3 217 B10R0.60 C=CC(=O)CCC[Si](C)(C)C 1458a_100000185746_100011219597 [1,1,0,0,0,0|2,0,0]=4 218 B10R0.60 C=CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000185746 [1,1,0,0,0,0|2,0,0]=4 219 B10R0.60 C=CC(=O)NCC[N+](C)(C)C 240690a_100000106457_200121576911 [1,1,0,0,0,0|2,0,0]=4 220 B10R0.60 CCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210202 [1,1,0,0,0,0|1,0,0]=3 221 B10R0.60 CCC(=O)CCC[N+](C)(C)C 1458a_100000210414_100016990835 [1,1,0,0,0,0|1,0,0]=3 222 B10R0.60 CCC(=O)CCC[Si](C)(C)C 1458a_100000210414_100011219597 [1,1,0,0,0,0|2,0,0]=4 223 B10R0.60 CCC(=O)CSC[N+](C)(C)C 62a_100000747405_200000036245 [1,1,0,0,0,0|2,0,0]=4 224 B10R0.60 CCC(=O)CSC[N+](C)(C)C 62a_200000036245_100000747405 [1,1,0,0,0,0|2,0,0]=4 225 B10R0.60 CCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000210414 [1,1,0,0,0,0|2,0,0]=4 226 B10R0.60 CCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000210414 [1,1,0,0,0,0|2,0,0]=4 227 B10R0.60 CCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000210414 [1,1,0,0,0,0|2,0,0]=4 228 B10R0.60 CNC(=O)CCC[N+](C)(C)C 11a_106832991635_100000085584 [1,1,0,0,0,0|1,0,0]=3 229 B10R0.60 CNC(=O)CCC[N+](C)(C)C 1626a_100102657272_100000085584 [1,1,0,0,0,0|1,0,0]=3 230 B10R0.60 CNC(=O)CCC[N+](C)(C)C 240690a_100102657272_100000085584 [1,1,0,0,0,0|1,0,0]=3 231 B10R0.60 CNC(=O)CCC[N+](C)(C)C 527a_100102657272_100000085584 [1,1,0,0,0,0|1,0,0]=3 232 B10R0.60 CNC(=O)CSC[N+](C)(C)C 62a_100000183359_200000036245 [1,1,0,0,0,0|2,0,0]=4 233 B10R0.60 CNC(=O)CSC[N+](C)(C)C 62a_200000036245_100000183359 [1,1,0,0,0,0|2,0,0]=4 234 B10R0.60 CNC(=O)NCC[N+](C)(C)C 2708a_100102657272_100000106457 [1,1,0,0,0,0|2,0,0]=4 235 B10R0.60 CNC(=O)NCC[N+](C)(C)C 273464a_100000106457_100102657272 [1,1,0,0,0,0|2,0,0]=4 236 B10R0.60 CNC(=O)NCC[N+](C)(C)C 273464a_100102657272_100000106457 [1,1,0,0,0,0|2,0,0]=4 237 B10R0.60 CNC(=O)NCC[N+](C)(C)C 512a_100000106457_100102657272 [1,1,0,0,0,0|2,0,0]=4 238 B10R0.60 CNC(=O)NCC[N+](C)(C)C 512a_106832991638_100000106457 [1,1,0,0,0,0|2,0,0]=4 239 B10R0.60 COC(=O)CSC[N+](C)(C)C 62a_100000747449_200000036245 [1,1,0,0,0,0|1,0,1]=4 240 B10R0.60 COC(=O)CSC[N+](C)(C)C 62a_200000036245_100000747449 [1,1,0,0,0,0|1,0,1]=4 241 B10R0.60 C[N+](C)(C)CCCC(=O)CF 1458a_100000085584_100015361967 [1,1,0,0,0,0|1,0,0]=3 242 B10R0.60 C[N+](C)(C)CCCC(=O)CO 1458a_100000210174_100016990835 [1,1,0,0,0,0|0,0,1]=3 243 B10R0.60 C[N+](C)(C)CCNC(=O)CO 240690a_100000106457_100000210174 [1,1,0,0,0,0|1,0,1]=4 244 B10R0.60 C[N+](C)(C)CCNC(=O)CO 527a_100000106457_100000210174 [1,1,0,0,0,0|1,0,1]=4 245 B10R0.60 C[Si](C)(C)CCCC(=O)CO 1458a_100000210174_100011219597 [1,1,0,0,0,0|1,0,1]=4 246 B10R0.65 CC(C)(CO)CSCC(=O)[O-] 62a_100009813988_100020667443 [1,1,0,0,0,0|2,0,0]=4 247 B10R0.65 CC(C)(CO)CSCC(=O)[O-] 62a_100020667443_100009813988 [1,1,0,0,0,0|2,0,0]=4 248 B10R0.65 COC(C)(C)CSCC(=O)[O-] 62a_100000701081_100020667443 [1,1,0,0,0,0|2,0,0]=4 249 B10R0.65 COC(C)(C)CSCC(=O)[O-] 62a_100020667443_100000701081 [1,1,0,0,0,0|2,0,0]=4 250 B10R0.92 CC(=O)C(C)SC[N+](C)(C)C 62a_100009814033_200000036245 [1,1,0,0,0,0|2,0,0]=4 251 B10R0.92 CC(=O)C(C)SC[N+](C)(C)C 62a_200000036245_100009814033 [1,1,0,0,0,0|2,0,0]=4 252 B10R0.92 CC(C)(C)CSC(F)C(=O)[O-] 62a_100011219605_100020610796 [1,1,0,0,0,0|2,0,0]=4 253 B10R0.92 CC(C)(C)CSC(F)C(=O)[O-] 62a_100020610796_100011219605 [1,1,0,0,0,0|2,0,0]=4 254 B10R0.92 CC(SC[N+](C)(C)C)C(=O)N 62a_100000702099_200000036245 [1,1,0,0,0,0|2,0,0]=4 255 B10R0.92 CC(SC[N+](C)(C)C)C(=O)N 62a_200000036245_100000702099 [1,1,0,0,0,0|2,0,0]=4 256 B10R0.92 C[C@H](NC[N+](C)(C)C)C(=O)O 269956a_100000743915_200000036245 [1,1,0,0,0,0|1,0,1]=4 257 B10R0.92 C[C@H](OC[Si](C)(C)C)C(=O)[O-] 7a_217856618621_100000233785 [1,1,0,0,0,0|2,0,0]=4 258 B10R0.92 C[N+](C)(C)CSC(F)C(=O)N 62a_100009813875_200000036245 [1,1,0,0,0,0|2,0,0]=4 259 B10R0.92 C[N+](C)(C)CSC(F)C(=O)N 62a_200000036245_100009813875 [1,1,0,0,0,0|2,0,0]=4 260 B10R0.92 C[N+](C)(C)CSC(F)C(=O)[O-] 62a_100020610796_200000036245 [1,1,0,0,0,0|1,0,0]=3 261 B10R0.92 C[N+](C)(C)CSC(F)C(=O)[O-] 62a_200000036245_100020610796 [1,1,0,0,0,0|1,0,0]=3 262 B10R0.92 C[Si](C)(C)CSC(F)C(=O)[O-] 62a_100000037933_100020610796 [1,1,0,0,0,0|2,0,0]=4 263 B10R0.92 C[Si](C)(C)CSC(F)C(=O)[O-] 62a_100020610796_100000037933 [1,1,0,0,0,0|2,0,0]=4 264 B10R0.113 C[N+](C)(C)CSCS(=O)(=O)[O-] 62a_100009817235_200000036245 [1,1,0,0,0,0|2,0,0]=4 265 B10R0.113 C[N+](C)(C)CSCS(=O)(=O)[O-] 62a_200000036245_100009817235 [1,1,0,0,0,0|2,0,0]=4 266 B10R0.138 CC(C)(C)N(CO)CC(=O)[O-] 269956a_100016989150_100000211941 [0,1,0,0,1,0|2,0,0]=4 267 B12R0.340 C=C(C)C(=O)CC(O)C[N+](C)(C)C 1458a_100000185857_100000032816 [0,1,0,0,0,1|2,0,0]=4 268 B12R0.207 CCC(C)(C)NCC(O)CC(=O)O 269956a_100011218706_100000032637 [0,1,0,0,0,1|1,0,1]=4 269 B12R0.396 CC(C)(CC(=O)O)NC[N+](C)(C)C 269956a_100000755897_200000036245 [0,1,0,0,0,1|1,0,1]=4 270 B12R0.484 COC(=O)CC(C)SC[N+](C)(C)C 62a_100009817358_200000036245 [0,1,0,0,0,1|1,0,1]=4 271 B12R0.484 COC(=O)CC(C)SC[N+](C)(C)C 62a_200000036245_100009817358 [0,1,0,0,0,1|1,0,1]=4 272 B12R0.484 COC(=O)C[C@@H](O)COC(C)(C)C 34a_100015890283_100000754131 [0,1,0,0,0,1|1,0,1]=4 273 B12R0.484 COC(=O)C[C@@H](O)COC(C)(C)C 7a_100015890283_100000754131 [0,1,0,0,0,1|1,0,1]=4 274 B12R0.484 COC(=O)C[C@@H](O)CSC(C)(C)C 62a_100000211941_100000754131 [0,1,0,0,0,1|1,0,1]=4 275 B12R0.484 COC(=O)C[C@@H](O)CSC(C)(C)C 62a_100000754131_100000211941 [0,1,0,0,0,1|1,0,1]=4 276 B12R0.665 CC(C)(C)CCN(CO)CC(=O)[O-] 269956a_100016989150_100000755188 [0,1,0,0,0,1|2,0,0]=4 277 B12R0.665 CC(C)(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100011219605 [0,1,0,0,0,1|1,0,1]=4 278 B12R0.665 CC[C@H](CC(=O)O)NC[N+](C)(C)C 269956a_100016995926_200000036245 [0,1,0,0,0,1|1,0,1]=4 279 B12R0.665 C[N+](C)(C)CCN(CO)CC(=O)[O-] 269956a_100016989150_100000085578 [0,1,0,0,0,1|1,0,0]=3 280 B12R0.665 C[N+](C)(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_200000036245 [0,1,0,0,0,1|0,0,1]=3 281 B12R0.665 C[Si](C)(C)CCN(CO)CC(=O)[O-] 269956a_100016989150_200000733723 [0,1,0,0,0,1|2,0,0]=4 282 B12R0.665 C[Si](C)(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000037933 [0,1,0,0,0,1|1,0,1]=4 283 B12R0.78 C#CCC(=O)CC(O)C[N+](C)(C)C 1458a_100011220946_100000032816 [0,2,0,0,0,0|1,0,0]=3 284 B12R0.78 C#CCC(=O)C[C@@H](O)C[N+](C)(C)C 1458a_100000004043_100000184674 [0,2,0,0,0,0|1,0,0]=3 285 B12R0.78 C=CCC(=O)CC(O)C[N+](C)(C)C 1458a_100000210193_100000032816 [0,2,0,0,0,0|1,0,0]=3 286 B12R0.78 C=CCC(=O)C[C@@H](O)C[N+](C)(C)C 1458a_100000004043_100000210623 [0,2,0,0,0,0|1,0,0]=3 287 B12R0.78 CC#CC(=O)CC(O)C[N+](C)(C)C 1458a_100000763181_100000032816 [0,2,0,0,0,0|1,0,0]=3 288 B12R0.78 CC=CC(=O)CC(O)C[N+](C)(C)C 1458a_100000210699_100000032816 [0,2,0,0,0,0|1,0,0]=3 289 B12R0.78 CCCC(=O)CC(O)C[N+](C)(C)C 1458a_100000211992_100000032816 [0,2,0,0,0,0|1,0,0]=3 290 B12R0.78 CCCC(=O)C[C@@H](O)C[N+](C)(C)C 1458a_100000004043_100000210303 [0,2,0,0,0,0|1,0,0]=3 291 B12R0.78 CCNC(=O)C[C@@H](O)C[N+](C)(C)C 240690a_100015525214_100000004043 [0,2,0,0,0,0|1,0,0]=3 292 B12R0.78 CNNC(=O)C[C@@H](O)C[N+](C)(C)C 22a_100016993582_100000004043 [0,2,0,0,0,0|1,0,0]=3 293 B12R0.78 COCC(=O)CC(O)C[N+](C)(C)C 1458a_100000210968_100000032816 [0,2,0,0,0,0|0,0,1]=3 294 B12R0.78 CSCC(=O)CC(O)C[N+](C)(C)C 1458a_100000184570_100000032816 [0,2,0,0,0,0|0,1,0]=3 295 B12R0.78 C[N+](C)(C)CC(O)CC(=O)C=CBr 1458a_100016273825_100000032816 [0,2,0,0,0,0|1,0,0]=3 296 B12R0.78 C[N+](C)(C)CC(O)CC(=O)C=CCl 1458a_200016279998_100000032816 [0,2,0,0,0,0|1,0,0]=3 297 B12R0.78 C[N+](C)(C)CC(O)CC(=O)C=CI 1458a_100016256311_100000032816 [0,2,0,0,0,0|1,0,0]=3 298 B12R0.78 C[N+](C)(C)CC(O)CC(=O)CC#N 1458a_100051588842_100000032816 [0,2,0,0,0,0|1,0,0]=3 299 B12R0.78 C[N+](C)(C)CC(O)CC(=O)CCO 1458a_100011216618_100000032816 [0,2,0,0,0,0|0,0,1]=3 300 B12R0.78 C[N+](C)(C)C[C@H](O)CC(=O)CC#N 1458a_100000004043_100011214920 [0,2,0,0,0,0|1,0,0]=3 301 B12R0.78 C[N+](C)(C)C[C@H](O)CC(=O)CCF 1458a_100000004043_100011217306 [0,2,0,0,0,0|1,0,0]=3 302 B12R0.78 C[N+](C)(C)C[C@H](O)CC(=O)CCO 1458a_100000004043_100000211926 [0,2,0,0,0,0|0,0,1]=3 303 B12R0.398 CC(C)(C)CN(CCO)CC(=O)[O-] 269982a_100000752879_100020667443 [0,2,0,0,0,0|2,0,0]=4 304 B12R0.398 C[N+](C)(C)CN(CCO)CC(=O)O 269956a_100000747938_200000036245 [0,2,0,0,0,0|1,0,1]=4 305 B12R0.630 CC(C)(CO)CN(CO)CC(=O)[O-] 269956a_100016989150_100009813988 [0,2,0,0,0,0|2,0,0]=4 306 B12R0.630 COC(C)(C)CN(CO)CC(=O)[O-] 269956a_100016989150_100000701081 [0,2,0,0,0,0|2,0,0]=4 307 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [1,0,0,0,1,0|2,0,0]=4 308 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [1,0,0,0,1,0|2,0,0]=4 309 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [1,0,0,0,1,0|2,0,0]=4 310 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [1,0,0,0,1,0|2,0,0]=4 311 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [1,0,0,0,1,0|1,0,0]=3 312 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [1,0,0,0,1,0|2,0,0]=4 313 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [1,0,0,0,1,0|2,0,0]=4 314 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [1,0,0,0,1,0|2,0,0]=4 315 B8R0.29 CC(C)(C)OCC(=O)[O-] 34a_100015890283_100020667443 [1,0,0,0,1,0|2,0,0]=4 316 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100000211941_100020667443 [1,0,0,0,1,0|2,0,0]=4 317 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000211941 [1,0,0,0,1,0|2,0,0]=4 318 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [1,0,0,0,1,0|2,0,0]=4 319 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [0,0,0,0,2,0|2,0,0]=4 320 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [0,0,0,0,2,0|2,0,0]=4 321 B10R0.96 CC(=O)NCC(O)CN(C)C 240690a_100000737402_100015343762 [1,0,0,0,0,1|1,0,1]=4 322 B10R0.96 CC(=O)NCC(O)CN(C)C 527a_100000737402_100103153847 [1,0,0,0,0,1|1,0,1]=4 323 B10R0.96 CC(=O)OCC(O)CN(C)C 269982a_100102631434_200000139349 [1,0,0,0,0,1|1,0,1]=4 324 B10R0.96 CC(C)CC(C)OCC(=O)[O-] 34a_100000211805_100020667443 [1,0,0,0,0,1|2,0,0]=4 325 B10R0.96 CC(C)CC(C)SCC(=O)[O-] 62a_100000731052_100020667443 [1,0,0,0,0,1|2,0,0]=4 326 B10R0.96 CC(C)CC(C)SCC(=O)[O-] 62a_100020667443_100000731052 [1,0,0,0,0,1|2,0,0]=4 327 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [1,0,0,0,0,1|1,0,1]=4 328 B10R0.96 CC(CN(C)C)SCC(=O)[O-] 62a_100020606517_100020667443 [1,0,0,0,0,1|1,0,1]=4 329 B10R0.96 CC(CN(C)C)SCC(=O)[O-] 62a_100020667443_100020606517 [1,0,0,0,0,1|1,0,1]=4 330 B10R0.15 C=C(C)CCSC[N+](C)(C)C 62a_100000730704_200000036245 [1,0,0,0,0,1|2,0,0]=4 331 B10R0.15 C=C(C)CCSC[N+](C)(C)C 62a_200000036245_100000730704 [1,0,0,0,0,1|2,0,0]=4 332 B10R0.15 C=C(C)COCC[N+](C)(C)C 34a_100000210245_100000085578 [1,0,0,0,0,1|2,0,0]=4 333 B10R0.15 C=C(C)COCC[N+](C)(C)C 7a_200020618287_100000748629 [1,0,0,0,0,1|2,0,0]=4 334 B10R0.15 C=C(C)CSCC[N+](C)(C)C 62a_100000085578_100000211660 [1,0,0,0,0,1|2,0,0]=4 335 B10R0.15 C=C(C)CSCC[N+](C)(C)C 62a_100000748629_100000085578 [1,0,0,0,0,1|2,0,0]=4 336 B10R0.15 C=C(F)COCC[N+](C)(C)C 34a_200010262243_100000085578 [1,0,0,0,0,1|2,0,0]=4 337 B10R0.15 C=C(F)COCC[N+](C)(C)C 7a_200020618287_100000042424 [1,0,0,0,0,1|2,0,0]=4 338 B10R0.15 C=C(F)CSCC[N+](C)(C)C 62a_100000042424_100000085578 [1,0,0,0,0,1|2,0,0]=4 339 B10R0.15 C=C(F)CSCC[N+](C)(C)C 62a_100000085578_100000042424 [1,0,0,0,0,1|2,0,0]=4 340 B10R0.15 CC(=O)CCCOC(C)(C)C 34a_100000759063_100000210625 [1,0,0,0,0,1|2,0,0]=4 341 B10R0.15 CC(=O)CCCOC(C)(C)C 34a_100015890283_100000685027 [1,0,0,0,0,1|2,0,0]=4 342 B10R0.15 CC(=O)CCCOC(C)(C)C 7a_100015890283_100011215641 [1,0,0,0,0,1|2,0,0]=4 343 B10R0.15 CC(=O)CCCSC(C)(C)C 62a_100000211941_100011215641 [1,0,0,0,0,1|2,0,0]=4 344 B10R0.15 CC(=O)CCCSC(C)(C)C 62a_100011215641_100000211941 [1,0,0,0,0,1|2,0,0]=4 345 B10R0.15 CC(=O)CCOCC(C)(C)C 34a_100000759926_100011219605 [1,0,0,0,0,1|2,0,0]=4 346 B10R0.15 CC(=O)CCOC[Si](C)(C)C 7a_100000759926_100000233785 [1,0,0,0,0,1|2,0,0]=4 347 B10R0.15 CC(=O)CCSCC(C)(C)C 62a_100000053229_100011219605 [1,0,0,0,0,1|2,0,0]=4 348 B10R0.15 CC(=O)CCSCC(C)(C)C 62a_100011219605_100000053229 [1,0,0,0,0,1|2,0,0]=4 349 B10R0.15 CC(=O)CCSC[N+](C)(C)C 62a_100000053229_200000036245 [1,0,0,0,0,1|1,0,0]=3 350 B10R0.15 CC(=O)CCSC[N+](C)(C)C 62a_200000036245_100000053229 [1,0,0,0,0,1|1,0,0]=3 351 B10R0.15 CC(=O)CCSC[Si](C)(C)C 62a_100000037933_100000053229 [1,0,0,0,0,1|2,0,0]=4 352 B10R0.15 CC(=O)CCSC[Si](C)(C)C 62a_100000053229_100000037933 [1,0,0,0,0,1|2,0,0]=4 353 B10R0.15 CC(=O)COCCC(C)(C)C 34a_100000211253_100000755188 [1,0,0,0,0,1|2,0,0]=4 354 B10R0.15 CC(=O)COCC[N+](C)(C)C 34a_100000211253_100000085578 [1,0,0,0,0,1|1,0,0]=3 355 B10R0.15 CC(=O)COCC[Si](C)(C)C 1458a_100000070787_100000032501 [1,0,0,0,0,1|2,0,0]=4 356 B10R0.15 CC(=O)COCC[Si](C)(C)C 34a_100000211253_200000733723 [1,0,0,0,0,1|2,0,0]=4 357 B10R0.15 CC(=O)NCCC[Si](C)(C)C 1626a_100000725946_100015343762 [1,0,0,0,0,1|2,0,0]=4 358 B10R0.15 CC(=O)NCCC[Si](C)(C)C 240690a_100000725946_100015343762 [1,0,0,0,0,1|2,0,0]=4 359 B10R0.15 CC(=O)NCCC[Si](C)(C)C 527a_100000725946_100103153847 [1,0,0,0,0,1|2,0,0]=4 360 B10R0.15 CC(=O)OCSC[N+](C)(C)C 62a_100000076356_200000036245 [1,0,0,0,0,1|2,0,0]=4 361 B10R0.15 CC(=O)OCSC[N+](C)(C)C 62a_200000036245_100000076356 [1,0,0,0,0,1|2,0,0]=4 362 B10R0.15 CC(C)(C)CCNCC(=O)N 2230a_100000711301_100000755188 [1,0,0,0,0,1|2,0,0]=4 363 B10R0.15 CC(C)(C)CCNCC(=O)N 2230a_100000738805_100000747473 [1,0,0,0,0,1|2,0,0]=4 364 B10R0.15 CC(C)(C)CCNCC(=O)O 269956a_100016091260_100000755188 [1,0,0,0,0,1|1,0,1]=4 365 B10R0.15 CC(C)(C)CCOCC(=O)N 7a_100000765024_100000187820 [1,0,0,0,0,1|2,0,0]=4 366 B10R0.15 CC(C)(C)CCSCC(=O)N 62a_100000747473_100000755188 [1,0,0,0,0,1|2,0,0]=4 367 B10R0.15 CC(C)(C)CCSCC(=O)N 62a_100000755188_100000747473 [1,0,0,0,0,1|2,0,0]=4 368 B10R0.15 CC(C)(C)CCSCC(=O)[O-] 62a_100000755188_100020667443 [1,0,0,0,0,1|1,0,0]=3 369 B10R0.15 CC(C)(C)CCSCC(=O)[O-] 62a_100020667443_100000755188 [1,0,0,0,0,1|1,0,0]=3 370 B10R0.15 CC(C)(C)CCSC[N+](=O)[O-] 62a_100000755188_100000761209 [1,0,0,0,0,1|2,0,0]=4 371 B10R0.15 CC(C)(C)CNCCC(=O)N 2230a_100000743828_100000744528 [1,0,0,0,0,1|2,0,0]=4 372 B10R0.15 CC(C)(C)COCCC(=O)N 34a_100000757172_100011219605 [1,0,0,0,0,1|2,0,0]=4 373 B10R0.15 CC(C)(C)CSCCC(=O)N 62a_100000744528_100011219605 [1,0,0,0,0,1|2,0,0]=4 374 B10R0.15 CC(C)(C)CSCCC(=O)N 62a_100011219605_100000744528 [1,0,0,0,0,1|2,0,0]=4 375 B10R0.15 CC(C)(C)NCCCC(=O)N 34a_100000739312_100000210625 [1,0,0,0,0,1|2,0,0]=4 376 B10R0.15 CC(C)(C)OCCCC(=O)N 34a_100015890283_100102525003 [1,0,0,0,0,1|2,0,0]=4 377 B10R0.15 CC(C)(C)OCCCC(=O)N 7a_100015890283_100102525003 [1,0,0,0,0,1|2,0,0]=4 378 B10R0.15 CC(C)(C)OCCC[N+](=O)[O-] 34a_200000037920_100000210625 [1,0,0,0,0,1|2,0,0]=4 379 B10R0.15 CC(C)(C)SCCCC(=O)N 62a_100000211941_100102525003 [1,0,0,0,0,1|2,0,0]=4 380 B10R0.15 CC(C)(C)SCCCC(=O)N 62a_100102525003_100000211941 [1,0,0,0,0,1|2,0,0]=4 381 B10R0.15 CC(C)(O)CCSCC(=O)[O-] 62a_100000702414_100020667443 [1,0,0,0,0,1|2,0,0]=4 382 B10R0.15 CC(C)(O)CCSCC(=O)[O-] 62a_100020667443_100000702414 [1,0,0,0,0,1|2,0,0]=4 383 B10R0.15 C[N+](C)(C)CCNCC(=O)O 269956a_100016091260_100000085578 [1,0,0,0,0,1|0,0,1]=3 384 B10R0.15 C[N+](C)(C)CCOCC(=O)N 7a_200020618287_100000187820 [1,0,0,0,0,1|1,0,0]=3 385 B10R0.15 C[N+](C)(C)CCSCC(=O)N 62a_100000085578_100000747473 [1,0,0,0,0,1|1,0,0]=3 386 B10R0.15 C[N+](C)(C)CCSCC(=O)N 62a_100000747473_100000085578 [1,0,0,0,0,1|1,0,0]=3 387 B10R0.15 C[N+](C)(C)CCSCC(=O)[O-] 62a_100000085578_100020667443 [1,0,0,0,0,1|0,0,0]=2 388 B10R0.15 C[N+](C)(C)CCSCC(=O)[O-] 62a_100020667443_100000085578 [1,0,0,0,0,1|0,0,0]=2 389 B10R0.15 C[N+](C)(C)CCSC[N+](=O)[O-] 62a_100000085578_100000761209 [1,0,0,0,0,1|1,0,0]=3 390 B10R0.15 C[N+](C)(C)CNOCC(=O)O 269956a_100000106656_200000036245 [1,0,0,0,0,1|1,0,1]=4 391 B10R0.15 C[N+](C)(C)CSCCC(=O)N 62a_100000744528_200000036245 [1,0,0,0,0,1|1,0,0]=3 392 B10R0.15 C[N+](C)(C)CSCCC(=O)N 62a_200000036245_100000744528 [1,0,0,0,0,1|1,0,0]=3 393 B10R0.15 C[Si](C)(C)CCNCC(=O)N 2230a_100000711301_200000733723 [1,0,0,0,0,1|2,0,0]=4 394 B10R0.15 C[Si](C)(C)CCNCC(=O)O 269956a_100016091260_200000733723 [1,0,0,0,0,1|1,0,1]=4 395 B10R0.15 C[Si](C)(C)CCOCC(=O)N 7a_100000039746_100000187820 [1,0,0,0,0,1|2,0,0]=4 396 B10R0.15 C[Si](C)(C)CCSCC(=O)N 62a_100000747473_200000733723 [1,0,0,0,0,1|2,0,0]=4 397 B10R0.15 C[Si](C)(C)CCSCC(=O)N 62a_200000733723_100000747473 [1,0,0,0,0,1|2,0,0]=4 398 B10R0.15 C[Si](C)(C)CCSCC(=O)[O-] 62a_100020667443_200000733723 [1,0,0,0,0,1|1,0,0]=3 399 B10R0.15 C[Si](C)(C)CCSCC(=O)[O-] 62a_200000733723_100020667443 [1,0,0,0,0,1|1,0,0]=3 400 B10R0.15 C[Si](C)(C)CCSC[N+](=O)[O-] 62a_200000733723_100000761209 [1,0,0,0,0,1|2,0,0]=4 401 B10R0.15 C[Si](C)(C)COCCC(=O)N 7a_100000757172_100000233785 [1,0,0,0,0,1|2,0,0]=4 402 B10R0.15 C[Si](C)(C)CSCCC(=O)N 62a_100000037933_100000744528 [1,0,0,0,0,1|2,0,0]=4 403 B10R0.15 C[Si](C)(C)CSCCC(=O)N 62a_100000744528_100000037933 [1,0,0,0,0,1|2,0,0]=4 404 B12R0.140 C=C(C)COCC(O)C[N+](C)(C)C 34a_100000210245_100000032816 [0,0,0,0,0,2|2,0,0]=4 405 B12R0.140 C=C(C)CSCC(O)C[N+](C)(C)C 62a_100000032816_100000211660 [0,0,0,0,0,2|2,0,0]=4 406 B12R0.140 C=C(C)CSCC(O)C[N+](C)(C)C 62a_100000748629_100000032816 [0,0,0,0,0,2|2,0,0]=4 407 B12R0.140 C=C(F)COCC(O)C[N+](C)(C)C 34a_200010262243_100000032816 [0,0,0,0,0,2|2,0,0]=4 408 B12R0.140 C=C(F)CSCC(O)C[N+](C)(C)C 62a_100000032816_100000042424 [0,0,0,0,0,2|2,0,0]=4 409 B12R0.140 C=C(F)CSCC(O)C[N+](C)(C)C 62a_100000042424_100000032816 [0,0,0,0,0,2|2,0,0]=4 410 B12R0.140 CC(=O)COCC(O)C[N+](C)(C)C 34a_100000211253_100000032816 [0,0,0,0,0,2|1,0,0]=3 411 B12R0.140 C[N+](C)(C)CC(O)CNCC(=O)N 2230a_100000711301_100000032816 [0,0,0,0,0,2|1,0,0]=3 412 B12R0.140 C[N+](C)(C)CC(O)CNCC(=O)O 269956a_100016091260_100000032816 [0,0,0,0,0,2|0,0,1]=3 413 B12R0.140 C[N+](C)(C)CC(O)CSCC(=O)N 62a_100000032816_100000747473 [0,0,0,0,0,2|1,0,0]=3 414 B12R0.140 C[N+](C)(C)CC(O)CSCC(=O)N 62a_100000747473_100000032816 [0,0,0,0,0,2|1,0,0]=3 415 B12R0.140 C[N+](C)(C)CC(O)CSCC(=O)[O-] 62a_100000032816_100020667443 [0,0,0,0,0,2|0,0,0]=2 416 B12R0.140 C[N+](C)(C)CC(O)CSCC(=O)[O-] 62a_100020667443_100000032816 [0,0,0,0,0,2|0,0,0]=2 417 B12R0.140 C[N+](C)(C)CC(O)CSC[N+](=O)[O-] 62a_100000032816_100000761209 [0,0,0,0,0,2|1,0,0]=3 418 B12R0.390 CC(=O)OCC(O)COC(C)(C)C 34a_100015890283_200000139349 [0,0,0,0,0,2|2,0,0]=4 419 B12R0.390 CC(=O)OCC(O)COC(C)(C)C 7a_100015890283_200000139349 [0,0,0,0,0,2|2,0,0]=4 420 B12R0.390 CC(=O)OCC(O)CSC(C)(C)C 62a_100000211941_200000139349 [0,0,0,0,0,2|2,0,0]=4 421 B12R0.390 CC(=O)OCC(O)CSC(C)(C)C 62a_200000139349_100000211941 [0,0,0,0,0,2|2,0,0]=4 422 B12R0.66 CC(C)(C)CNCC(O)CC(=O)O 269956a_100011218706_100011219605 [0,0,0,0,0,2|1,0,1]=4 423 B12R0.66 C[N+](C)(C)CCCC(=O)CC(=O)[O-] 1458a_100000085584_100020667443 [0,0,0,0,0,2|0,0,2]=4 424 B12R0.66 C[N+](C)(C)CNCC(O)CC(=O)O 269956a_100011218706_200000036245 [0,0,0,0,0,2|0,0,1]=3 425 B12R0.66 C[Si](C)(C)CNCC(O)CC(=O)O 269956a_100011218706_100000037933 [0,0,0,0,0,2|1,0,1]=4