0 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,0,0,0,0,0|0,1,0]=1 13 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,0,0,0,0,0|0,0,0]=0 14 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,0,0,0,0,0|0,0,0]=0 15 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.3 CC(C#N)N(C)C 2230a_100102631434_100000184139 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.3 CC(C#N)N(C)C 269982a_100102631434_100000703298 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,0,0,0,0,0|1,1,1]=3 21 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,0,0,0,0,0|4,0,0]=4 25 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,0,0,0,0,0|1,0,0]=1 27 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,0,0,0,0,0|1,0,0]=1 28 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,0,0,0,0|1,0,0]=1 29 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,0,0,0,0|1,0,0]=1 30 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,0,0,0,0|1,0,0]=1 31 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,0,0,0,0|2,0,0]=2 38 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,0,0,0,0|2,0,0]=2 39 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,0,0,0,0,0|2,0,0]=2 40 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,0,0,0,0,0|2,0,0]=2 41 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,0,0,0,0,0|2,0,0]=2 42 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,0,0,0,0,0|2,0,0]=2 43 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,0,0,0,0,0|2,0,1]=3 51 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,0,0,0,0,0|2,0,1]=3 53 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,0,0,0,0,0|1,0,0]=1 54 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,0,0,0,0,0|1,0,0]=1 55 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,0,0,0,0,0|2,0,0]=2 56 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,0,0,0,0,0|2,0,0]=2 57 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,0,0,0,0,0|2,0,0]=2 58 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,0,0,0,0,0|2,0,1]=3 59 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,0,0,0,0,0|3,0,0]=3 60 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,0,0,0,0,0|3,0,0]=3 61 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,0,0,0,0,0|3,0,0]=3 62 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,0,0,0,0,0|2,0,0]=2 64 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,0,0,0,0,0|2,0,0]=2 65 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,0,0,0,0,0|2,0,0]=2 66 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,0,0,0,0,0|0,1,0]=1 67 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,0,0,0,0,0|0,1,0]=1 68 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,0,0,0,0,0|1,1,0]=2 69 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,0,0,0,0,0|0,1,0]=1 70 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,0,0,0,0,0|1,1,1]=3 71 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,0,0,0,0,0|2,1,0]=3 72 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,0,0,0,0,0|2,1,0]=3 73 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,0,0,0,0,0|2,1,0]=3 74 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,0,0,0,0,0|1,1,0]=2 75 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,0,0,0,0,0|1,1,0]=2 76 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,0,0,0,0,0|1,1,0]=2 77 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,0,0,0,0,0|0,0,0]=0 78 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,0,0,0,0,0|0,0,0]=0 79 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,0,0,0,0,0|0,0,0]=0 80 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,0,0,0,0,0|1,0,0]=1 81 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,0,0,0,0,0|1,0,0]=1 82 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,0,0,0,0,0|0,0,0]=0 83 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,0,0,0,0,0|2,0,0]=2 84 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,0,0,0,0,0|2,0,0]=2 85 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,0,0,0,0,0|2,0,0]=2 86 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,0,0,0,0,0|2,0,0]=2 87 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,0,0,0,0,0|2,0,0]=2 88 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,0,0,0,0,0|2,0,0]=2 89 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,0,0,0,0,0|1,1,0]=2 90 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,0,0,0,0,0|1,1,0]=2 91 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,0,0,0,0,0|4,0,0]=4 92 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,0,0,0,0,0|2,0,0]=2 93 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,0,0,0,0,0|1,1,0]=2 94 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,0,0,0,0,0|3,0,0]=3 95 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,0,0,0,0,0|2,0,0]=2 96 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,0,0,0,0,0|2,0,0]=2 97 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,0,0,0,0,0|2,0,0]=2 98 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,0,0,0,0,0|2,0,0]=2 99 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,0,0,0,0|1,0,1]=3 101 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,0,0,0,0|1,0,1]=3 102 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|2,0,0]=3 103 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|1,1,0]=3 106 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|1,1,0]=3 107 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|1,1,0]=3 108 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|1,0,0]=2 109 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|1,0,0]=2 110 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|1,0,0]=2 111 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|1,0,0]=2 112 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,0,0,0,0,0|2,0,1]=4 115 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,0,0,0,0,0|1,1,1]=4 116 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,0,0,0,0,0|1,1,1]=4 117 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,0,0,0,0,0|1,1,1]=4 118 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,0,0,0,0,0|1,0,1]=3 119 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,0,0,0,0,0|1,0,1]=3 120 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,0,0,0,0,0|1,0,1]=3 121 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,0,0,0,0,0|1,0,1]=3 122 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|1,0,1]=3 123 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|1,0,1]=3 124 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|1,0,1]=3 125 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|1,0,1]=3 126 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|1,0,1]=3 127 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,0,0,0,0|2,0,0]=3 131 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,0,0,0,0|2,0,0]=3 132 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|2,0,0]=3 133 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|2,0,0]=3 134 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|2,0,0]=3 135 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|0,1,0]=2 136 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,0,0,0,0,0|1,1,1]=4 137 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,0,0,0,0|2,0,1]=4 138 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,0,0,0,0|2,0,1]=4 139 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,0,0,0,0|1,1,1]=4 140 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,0,0,0,0|1,0,1]=3 141 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,0,0,0,0|1,0,1]=3 142 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,0,0,0,0,0|1,1,1]=4 143 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,0,0,0,0|1,0,2]=4 144 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|1,0,2]=4 145 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,0,0,0,0|0,0,2]=3 146 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,0,0,0,0|0,0,2]=3 147 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|1,0,1]=3 148 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|1,0,1]=3 149 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|1,0,0]=2 150 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|1,0,0]=2 151 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|1,0,0]=2 152 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|3,0,0]=4 153 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|3,0,0]=4 154 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|3,0,0]=4 155 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|3,0,0]=4 156 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|3,0,0]=4 157 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|3,0,0]=4 158 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|2,0,0]=3 159 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|2,0,0]=3 160 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|2,0,0]=3 161 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|2,0,0]=3 162 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|2,0,0]=3 163 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|2,0,0]=3 164 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|2,0,0]=3 165 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|2,0,0]=3 166 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|2,0,0]=3 167 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,0,0,0,0|2,0,1]=4 168 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,0,0,0,0|2,0,1]=4 169 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,0,0,0,0|2,0,1]=4 172 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,0,0,0,0|2,0,1]=4 173 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,0,0,0,0|1,0,2]=4 174 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,0,0,0,0|1,0,2]=4 175 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,0,0,0,0|1,0,2]=4 176 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,0,0,0,0|1,0,2]=4 177 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,0,0,0,0|1,0,2]=4 178 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,0,0,0,0|1,0,2]=4 179 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,0,0,0,0|1,0,2]=4 180 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,0,0,0,0|1,0,2]=4 181 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [1,0,0,0,0,0|3,0,0]=4 182 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|2,0,0]=3 183 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|0,1,0]=2 184 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|0,1,0]=2 185 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|1,1,0]=3 186 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|0,1,0]=2 187 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|1,1,0]=3 188 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,0,0,0,0,0|1,1,1]=4 189 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,0,0,0,0|1,1,1]=4 190 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,0,0,0,0|1,1,1]=4 191 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,0,0,0,0,0|1,1,1]=4 192 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,0,0,0,0|0,1,2]=4 193 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,0,0,0,0,0|2,1,0]=4 194 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,0,0,0,0,0|2,1,0]=4 195 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,0,0,0,0,0|1,1,1]=4 196 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,0,0,0,0|1,1,1]=4 197 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,0,0,0,0|0,1,2]=4 198 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [1,0,0,0,0,0|2,1,0]=4 199 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|0,0,0]=1 200 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|1,0,0]=2 201 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|1,0,0]=2 202 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|0,0,0]=1 203 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|1,0,0]=2 204 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|1,0,0]=2 205 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,0,0,0,0|1,0,1]=3 206 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,0,0,0,0|1,0,1]=3 207 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,0,0,0,0|0,0,2]=3 208 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,0,0,0,0|0,0,2]=3 209 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [1,0,0,0,0,0|2,0,1]=4 210 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [1,0,0,0,0,0|2,0,1]=4 211 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,0,0,0,0,0|2,0,0]=3 212 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,0,0,0,0,0|2,0,0]=3 213 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,0,0,0,0|0,0,2]=3 214 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,0,0,0,0|0,0,2]=3 215 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [1,0,0,0,0,0|2,0,0]=3 216 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,0,0,0,0,0|1,1,1]=4 217 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,0,0,0,0|1,1,1]=4 218 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,0,0,0,0|0,0,2]=3 219 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,0,0,0,0|0,0,2]=3 220 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|2,0,1]=4 221 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|2,0,1]=4 222 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|2,0,1]=4 223 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,0,0,0,0|2,0,0]=3 224 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|2,0,0]=3 225 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|2,0,0]=3 226 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|2,0,0]=3 227 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|1,0,0]=2 228 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|1,0,0]=2 229 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|1,0,0]=2 230 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|1,0,0]=2 231 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [1,0,0,0,0,0|2,0,1]=4 232 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [1,0,0,0,0,0|2,0,1]=4 233 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [1,0,0,0,0,0|2,0,0]=3 234 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [1,0,0,0,0,0|1,0,2]=4 235 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [1,0,0,0,0,0|1,0,2]=4 236 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [1,0,0,0,0,0|1,0,2]=4 237 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [1,0,0,0,0,0|1,0,2]=4 238 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [1,0,0,0,0,0|1,0,2]=4 239 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,0,0,0,0,0|0,1,2]=4 240 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [1,0,0,0,0,0|0,0,2]=3 241 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [1,0,0,0,0,0|0,0,2]=3 242 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,0,0,0,0,0|0,1,2]=4 243 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,0,0,0,0,0|0,1,2]=4 244 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,0,0,0,0,0|0,1,2]=4 245 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,0,0,0,0,0|0,1,2]=4 246 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,0,0,0,0|0,1,1]=3 247 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,0,0,0,0|0,1,1]=3 248 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,0,0,0,0|0,0,1]=2 249 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,0,0,0,0|0,0,1]=2 250 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [1,0,0,0,0,0|2,0,1]=4 251 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,0,0,0,0,0|1,1,1]=4 252 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [1,0,0,0,0,0|1,0,1]=3 253 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [1,0,0,0,0,0|1,0,1]=3 254 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,0,0,0,0|1,1,1]=4 255 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,0,0,0,0|1,1,1]=4 256 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|1,1,1]=4 257 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,0,0,0,0,0|0,0,2]=3 258 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|1,0,1]=3 259 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|1,0,1]=3 260 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|1,0,1]=3 261 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|1,0,1]=3 262 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|1,0,1]=3 263 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|0,1,1]=3 264 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|0,1,1]=3 265 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|0,1,1]=3 266 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|0,0,1]=2 267 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|0,0,1]=2 268 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|0,0,1]=2 269 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|0,0,1]=2 270 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|2,0,1]=4 271 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|2,0,1]=4 272 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|2,0,1]=4 273 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|2,0,1]=4 274 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|2,0,1]=4 275 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|2,0,1]=4 276 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|2,0,1]=4 277 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|2,0,1]=4 278 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [1,0,0,0,0,0|2,0,1]=4 279 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [1,0,0,0,0,0|2,0,1]=4 280 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [1,0,0,0,0,0|2,0,1]=4 281 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,0,0,0,0,0|1,0,2]=4 282 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,0,0,0,0,0|1,0,2]=4 283 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,0,0,0,0,0|1,0,2]=4 284 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,0,0,0,0,0|1,0,2]=4 285 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,0,0,0,0,0|1,1,1]=4 286 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,0,0,0,0|1,1,1]=4 287 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,0,0,0,0|1,1,1]=4 288 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,0,0,0,0|1,1,1]=4 289 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,0,0,0,0|0,1,2]=4 290 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,0,0,0,0|1,0,0]=2 291 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,0,0,0,0|1,0,0]=2 292 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,0,0,0,0|1,0,0]=2 293 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,0,0,0,0|1,0,0]=2 294 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [1,0,0,0,0,0|1,0,1]=3 295 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [1,0,0,0,0,0|1,0,1]=3 296 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,0,0,0,0,0|0,0,2]=3 297 B5R0.3 CSC(F)C#N 62a_200000117898_200000210301 [1,0,0,0,0,0|2,0,1]=4 298 B5R0.3 CSC(F)C#N 62a_200000210301_200000117898 [1,0,0,0,0,0|2,0,1]=4 299 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,0,0,0,0,0|0,0,2]=3 300 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,0,0,0,0,0|0,0,2]=3 301 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,0,0,0,0,0|1,0,2]=4 302 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,0,0,0,0,0|0,0,2]=3 303 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,0,0,0,0,0|0,0,2]=3 304 B5R0.3 [13CH3]SC(F)C#N 62a_200000117898_200025704644 [1,0,0,0,0,0|2,0,1]=4 305 B5R0.3 [13CH3]SC(F)C#N 62a_200025704644_200000117898 [1,0,0,0,0,0|2,0,1]=4 306 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,0,0,0,0,0|0,0,2]=3 307 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,0,0,0,0,0|0,0,2]=3 308 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,0,0,0,0|0,0,0]=1 309 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,0,0,0,0|0,0,0]=1 310 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,0,0,0,0|1,0,0]=2 311 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,0,0,0,0,0|1,1,0]=3 312 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,0,0,0,0|1,0,0]=2 313 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,0,0,0,0|1,0,0]=2 314 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,0,0,0,0|1,0,0]=2 315 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,0,0,0,0|1,0,0]=2 316 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,0,0,0,0|0,1,0]=2 317 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,0,0,0,0|0,1,0]=2 318 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,0,0,0,0|0,0,0]=1 319 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,0,0,0,0,0|2,0,0]=3 320 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,0,0,0,0,0|2,0,0]=3 321 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,0,0,0,0,0|2,0,0]=3 322 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,0,0,0,0,0|2,0,0]=3 323 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,0,0,0,0|1,0,0]=2 324 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,0,0,0,0|0,1,0]=2 325 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,0,0,0,0|0,1,0]=2 326 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,0,0,0,0,0|1,1,0]=3 327 B7R0.5 C#CCN(C)C(=O)C 11a_100000225692_100015343762 [0,1,0,0,0,0|2,0,1]=4 328 B7R0.5 C#CCN(C)C(=O)C 1626a_100000225692_100015343762 [0,1,0,0,0,0|2,0,1]=4 329 B7R0.5 C#CCN(C)C(=O)C 527a_100000225692_100103153847 [0,1,0,0,0,0|2,0,1]=4 330 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,1,0,0,0,0|2,0,0]=3 331 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,1,0,0,0,0|1,0,1]=3 332 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,1,0,0,0,0|1,0,1]=3 333 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,1,0,0,0,0|2,0,1]=4 334 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,1,0,0,0,0|2,0,1]=4 335 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,1,0,0,0,0|2,0,1]=4 336 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,1,0,0,0,0|2,0,1]=4 337 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|1,0,1]=3 338 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|1,0,1]=3 339 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,1,0,0,0,0|1,0,1]=3 340 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,0,0,0,0|1,0,0]=2 341 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,0,0,0,0|0,1,0]=2 342 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,0,0,0,0|0,1,0]=2 343 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,1,0,0,0,0|0,1,0]=2 344 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,1,0,0,0,0|0,0,0]=1 345 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,1,0,0,0,0|0,0,0]=1 346 B7R0.5 CC(=O)N(C)CC#N 11a_100000748184_100015343762 [0,1,0,0,0,0|2,0,1]=4 347 B7R0.5 CC(=O)N(C)CC#N 1626a_100000748184_100015343762 [0,1,0,0,0,0|2,0,1]=4 348 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,1,0,0,0,0|2,0,0]=3 349 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,1,0,0,0,0|2,0,0]=3 350 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,1,0,0,0,0|1,1,1]=4 351 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [0,1,0,0,0,0|3,0,0]=4 352 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [0,1,0,0,0,0|3,0,0]=4 353 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [0,1,0,0,0,0|3,0,0]=4 354 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [0,1,0,0,0,0|3,0,0]=4 355 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [0,1,0,0,0,0|3,0,0]=4 356 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [0,1,0,0,0,0|3,0,0]=4 357 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,1,0,0,0,0|2,0,0]=3 358 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 34a_100000039676_200025704644 [0,1,0,0,0,0|2,1,0]=4 359 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 7a_100000039676_200025704644 [0,1,0,0,0,0|2,1,0]=4 360 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,1,0,0,0,0|1,0,0]=2 361 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,1,0,0,0,0|1,0,0]=2 362 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,0,0,0,0|1,0,1]=3 363 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,0,0,0,0|1,0,1]=3 364 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,0,0,0,0|1,0,0]=2 365 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,0,0,0,0|1,0,0]=2 366 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,0,0,0,0|1,0,0]=2 367 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,1,0,0,0,0|3,0,0]=4 368 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,1,0,0,0,0|3,0,0]=4 369 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,1,0,0,0,0|3,0,0]=4 370 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,1,0,0,0,0|2,0,0]=3 371 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,1,0,0,0,0|2,0,0]=3 372 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,1,0,0,0,0|2,0,0]=3 373 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,1,0,0,0,0|2,0,0]=3 374 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,0,0,0,0|2,0,0]=3 375 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,1,0,0,0,0|2,0,0]=3 376 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,0,0,0,0|2,0,1]=4 377 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,0,0,0,0|2,0,1]=4 378 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,1,0,0,0,0|1,0,0]=2 379 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,1,0,0,0,0|2,0,0]=3 380 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,1,0,0,0,0|2,0,1]=4 381 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,1,0,0,0,0|3,0,0]=4 382 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,1,0,0,0,0|2,0,0]=3 383 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,1,0,0,0,0|2,0,0]=3 384 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,1,0,0,0,0|2,0,0]=3 385 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,0,0,0,0|0,1,0]=2 386 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,0,0,0,0|0,1,0]=2 387 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,1,0,0,0,0|1,1,0]=3 388 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,0,0,0,0|0,1,0]=2 389 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,1,0,0,0,0|1,1,1]=4 390 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,1,0,0,0,0|2,1,0]=4 391 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,1,0,0,0,0|2,1,0]=4 392 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,1,0,0,0,0|1,1,0]=3 393 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,1,0,0,0,0|1,1,0]=3 394 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,1,0,0,0,0|1,1,0]=3 395 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,1,0,0,0,0|0,0,0]=1 396 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,1,0,0,0,0|0,0,0]=1 397 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,1,0,0,0,0|0,0,0]=1 398 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,1,0,0,0,0|1,0,0]=2 399 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,1,0,0,0,0|1,0,0]=2 400 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,1,0,0,0,0|0,0,0]=1 401 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,1,0,0,0,0|2,0,0]=3 402 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,1,0,0,0,0|2,0,0]=3 403 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,1,0,0,0,0|2,0,0]=3 404 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,1,0,0,0,0|2,0,0]=3 405 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|2,0,1]=4 406 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,1,0,0,0,0|2,0,0]=3 407 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,1,0,0,0,0|3,0,0]=4 408 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,1,0,0,0,0|0,1,1]=3 409 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,1,0,0,0,0|0,1,1]=3 410 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|1,1,1]=4 411 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,0,0,0,0|0,1,0]=2 412 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,0,0,0,0|0,1,0]=2 413 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,0,0,0,0|0,1,0]=2 414 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,0,0,0,0|0,1,0]=2 415 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,0,0,0,0|0,1,0]=2 416 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,1,0,0,0,0|2,1,0]=4 417 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,1,0,0,0,0|2,1,0]=4 418 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,1,0,0,0,0|2,1,0]=4 419 B7R0.5 COCC(C)[N+](=O)[O-] 34a_100000039676_200000210301 [0,1,0,0,0,0|2,1,0]=4 420 B7R0.5 COCC(C)[N+](=O)[O-] 7a_100000039676_200000210301 [0,1,0,0,0,0|2,1,0]=4 421 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|2,1,0]=4 422 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|1,0,1]=3 423 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|1,0,1]=3 424 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,1,0,0,0,0|0,0,0]=1 425 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,1,0,0,0,0|0,0,0]=1 426 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [0,1,0,0,0,0|2,0,0]=3 427 B7R0.5 CSCN(C)C(C)C 269982a_200000211004_100011218213 [0,1,0,0,0,0|2,0,1]=4 428 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,1,0,0,0,0|2,0,0]=3 429 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,1,0,0,0,0|1,1,0]=3 430 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,1,0,0,0,0|1,1,0]=3 431 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,1,0,0,0,0|2,0,0]=3 432 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,1,0,0,0,0|1,1,0]=3 433 B7R0.5 NC(=O)C(F)SCF 62a_100009813875_100015361967 [0,1,0,0,0,0|2,0,0]=3 434 B7R0.5 NC(=O)C(F)SCF 62a_100015361967_100009813875 [0,1,0,0,0,0|2,0,0]=3 435 B7R0.5 O=C([O-])C(F)SCF 62a_100015361967_100020610796 [0,1,0,0,0,0|2,0,0]=3 436 B7R0.5 O=C([O-])C(F)SCF 62a_100020610796_100015361967 [0,1,0,0,0,0|2,0,0]=3 437 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,1,0,0,0,0|3,0,0]=4 438 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|2,1,0]=4 439 B7R0.10 C#CC(=O)C(C)C#C 1458a_100000211873_200000035995 [0,1,0,0,0,0|1,0,2]=4 440 B7R0.10 C#CC(=O)C(C)C#N 1458a_100000211873_100000703298 [0,1,0,0,0,0|2,0,1]=4 441 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,1,0,0,0,0|1,0,1]=3 442 B7R0.10 C#CC(C)C(=O)C=C 1458a_100000185746_200000035995 [0,1,0,0,0,0|1,0,2]=4 443 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,1,0,0,0,0|1,0,1]=3 444 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [0,1,0,0,0,0|1,0,1]=3 445 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,0,0,0,0|1,0,1]=3 446 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,1,0,0,0,0|1,0,1]=3 447 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,0,0,0,0|1,0,1]=3 448 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,0,0,0,0|1,0,1]=3 449 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,1,0,0,0,0|2,0,0]=3 450 B7R0.10 C=CC(=O)C(C)C#N 1458a_100000185746_100000703298 [0,1,0,0,0,0|2,0,1]=4 451 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,0,0,0,0|1,0,1]=3 452 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,1,0,0,0,0|2,0,1]=4 453 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,1,0,0,0,0|2,0,1]=4 454 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,0,0,0,0|1,0,1]=3 455 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [0,1,0,0,0,0|1,0,1]=3 456 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,1,0,0,0,0|1,0,1]=3 457 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,1,0,0,0,0|1,0,1]=3 458 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,1,0,0,0,0|1,0,1]=3 459 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,1,0,0,0,0|1,0,1]=3 460 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,1,0,0,0,0|1,1,1]=4 461 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,1,0,0,0,0|1,1,1]=4 462 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,1,0,0,0,0|1,1,1]=4 463 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,1,0,0,0,0|1,1,1]=4 464 B7R0.10 CC(C#N)C(=O)CF 1458a_100000753662_100015361967 [0,1,0,0,0,0|2,0,0]=3 465 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [0,1,0,0,0,0|2,0,0]=3 466 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [0,1,0,0,0,0|1,1,0]=3 467 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,0,0,0,0|2,0,1]=4 468 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,1,0,0,0,0|2,0,0]=3 469 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,1,0,0,0,0|2,0,0]=3 470 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|1,0,0]=2 471 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|1,0,0]=2 472 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,0,0,0,0|1,0,0]=2 473 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,0,0,0,0|1,0,0]=2 474 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,0,0,0,0|0,1,0]=2 475 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,0,0,0,0|0,0,0]=1 476 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,0,0,0,0|0,0,0]=1 477 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,0,0,0,0|0,0,0]=1 478 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,0,0,0,0|0,0,0]=1 479 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,0,0,0,0|0,0,0]=1 480 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,0,0,0,0|2,0,0]=3 481 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,0,0,0,0|3,0,0]=4 482 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 483 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 484 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 485 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 486 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,0,0,0,0|1,0,0]=2 487 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|1,0,0]=2 488 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,0,0,0,0|1,0,0]=2 489 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,0,0,0,0|1,0,0]=2 490 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,0,0,0,0|1,0,0]=2 491 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,0,0,0,0|1,0,0]=2 492 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,1,0,0,0,0|2,0,1]=4 493 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,1,0,0,0,0|2,0,1]=4 494 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,1,0,0,0,0|1,0,2]=4 495 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,1,0,0,0,0|1,0,2]=4 496 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,1,0,0,0,0|3,0,0]=4 497 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,1,0,0,0,0|3,0,0]=4 498 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,1,0,0,0,0|3,0,0]=4 499 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,1,0,0,0,0|3,0,0]=4 500 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,1,0,0,0,0|3,0,0]=4 501 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,1,0,0,0,0|3,0,0]=4 502 B7R0.10 CCC(C)N(C)CF 269982a_100000741768_100015361967 [0,1,0,0,0,0|3,0,0]=4 503 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,1,0,0,0,0|3,0,0]=4 504 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,1,0,0,0,0|3,0,0]=4 505 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,0,0,0,0|2,0,0]=3 506 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,0,0,0,0|2,0,0]=3 507 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,0,0,0,0|2,0,0]=3 508 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,0,0,0,0|2,0,0]=3 509 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,1,0,0,0,0|2,0,0]=3 510 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,1,0,0,0,0|2,0,0]=3 511 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [0,1,0,0,0,0|2,1,0]=4 512 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,1,0,0,0,0|2,0,1]=4 513 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,1,0,0,0,0|2,0,1]=4 514 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,1,0,0,0,0|2,0,1]=4 515 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,1,0,0,0,0|2,0,1]=4 516 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,1,0,0,0,0|1,1,1]=4 517 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,1,0,0,0,0|1,1,1]=4 518 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,1,0,0,0,0|1,1,1]=4 519 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,1,0,0,0,0|1,1,1]=4 520 B7R0.10 CNC(=O)C(C)C#N 11a_106832991635_100000753662 [0,1,0,0,0,0|2,0,0]=3 521 B7R0.10 CNC(=O)C(C)C#N 1626a_100102657272_100000753662 [0,1,0,0,0,0|2,0,0]=3 522 B7R0.10 CNC(=O)C(C)C#N 240690a_100102657272_100000753662 [0,1,0,0,0,0|2,0,0]=3 523 B7R0.10 CNC(=O)C(C)C#N 527a_100102657272_100000753662 [0,1,0,0,0,0|2,0,0]=3 524 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,1,0,0,0,0|1,0,0]=2 525 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,1,0,0,0,0|1,0,0]=2 526 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,1,0,0,0,0|1,0,0]=2 527 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,1,0,0,0,0|0,1,0]=2 528 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,1,0,0,0,0|0,1,0]=2 529 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,1,0,0,0,0|0,1,0]=2 530 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,1,0,0,0,0|0,1,0]=2 531 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,1,0,0,0,0|0,1,0]=2 532 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,1,0,0,0,0|0,0,0]=1 533 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,1,0,0,0,0|0,0,0]=1 534 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,1,0,0,0,0|0,0,0]=1 535 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,1,0,0,0,0|0,0,0]=1 536 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,1,0,0,0,0|0,0,0]=1 537 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,1,0,0,0,0|0,0,0]=1 538 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,1,0,0,0,0|0,0,0]=1 539 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,1,0,0,0,0|0,0,0]=1 540 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,1,0,0,0,0|2,0,0]=3 541 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,1,0,0,0,0|2,0,0]=3 542 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,1,0,0,0,0|2,0,0]=3 543 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,1,0,0,0,0|1,1,0]=3 544 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [0,1,0,0,0,0|1,0,0]=2 545 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [0,1,0,0,0,0|1,0,0]=2 546 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [0,1,0,0,0,0|1,0,0]=2 547 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [0,1,0,0,0,0|1,0,0]=2 548 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,1,0,0,0,0|3,0,0]=4 549 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,1,0,0,0,0|1,0,0]=2 550 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,1,0,0,0,0|1,0,0]=2 551 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,1,0,0,0,0|1,0,0]=2 552 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,1,0,0,0,0|1,0,0]=2 553 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,1,0,0,0,0|1,0,0]=2 554 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,1,0,0,0,0|1,0,0]=2 555 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,1,0,0,0,0|1,0,0]=2 556 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,1,0,0,0,0|0,1,0]=2 557 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,1,0,0,0,0|0,1,0]=2 558 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,1,0,0,0,0|0,1,0]=2 559 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,1,0,0,0,0|0,0,0]=1 560 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,1,0,0,0,0|0,0,0]=1 561 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,1,0,0,0,0|0,0,0]=1 562 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,1,0,0,0,0|0,0,0]=1 563 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,1,0,0,0,0|0,1,0]=2 564 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [0,1,0,0,0,0|1,1,0]=3 565 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,1,0,0,0,0|0,0,0]=1 566 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,1,0,0,0,0|3,0,0]=4 567 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000070787_100000038118 [0,1,0,0,0,0|1,0,1]=3 568 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000079900_200000210301 [0,1,0,0,0,0|1,0,1]=3 569 B7R0.13 C#CC(C)(C)C(=O)[13CH3] 1458a_100000079900_200025704644 [0,1,0,0,0,0|1,0,1]=3 570 B7R0.13 C=CC(C)(C)C(=O)C 1458a_100012027013_200000210301 [0,1,0,0,0,0|1,0,1]=3 571 B7R0.13 C=CC(C)(C)C(=O)[13CH3] 1458a_100012027013_200025704644 [0,1,0,0,0,0|1,0,1]=3 572 B7R0.13 CC(=O)C(C)(C)C#N 1458a_100000740761_200000210301 [0,1,0,0,0,0|2,0,0]=3 573 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [0,1,0,0,0,0|2,0,0]=3 574 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,1,0,0,0,0|2,0,0]=3 575 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,1,0,0,0,0|0,1,0]=2 576 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,1,0,0,0,0|0,1,0]=2 577 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,1,0,0,0,0|0,0,0]=1 578 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,1,0,0,0,0|0,0,0]=1 579 B7R0.13 CC(C)(C#N)C(=O)[13CH3] 1458a_100000740761_200025704644 [0,1,0,0,0,0|2,0,0]=3 580 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [0,1,0,0,0,0|2,0,0]=3 581 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,1,0,0,0,0|2,0,0]=3 582 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [0,1,0,0,0,0|2,0,0]=3 583 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [0,1,0,0,0,0|2,0,0]=3 584 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [0,1,0,0,0,0|1,1,0]=3 585 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [0,1,0,0,0,0|1,1,0]=3 586 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [0,1,0,0,0,0|1,0,0]=2 587 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [0,1,0,0,0,0|1,0,0]=2 588 B7R0.13 CC(C)(S[13CH3])[N+](=O)[O-] 62a_200009813997_200025704644 [0,1,0,0,0,0|2,0,0]=3 589 B7R0.13 CC(C)(S[13CH3])[N+](=O)[O-] 62a_200025704644_200009813997 [0,1,0,0,0,0|2,0,0]=3 590 B7R0.13 CC(C)C(C)(C)N[13CH3] 2230a_200160471154_200025704644 [0,1,0,0,0,0|2,0,1]=4 591 B7R0.13 CC(C)C(C)(C)O[13CH3] 7a_100011215261_200025704644 [0,1,0,0,0,0|1,1,1]=4 592 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,1,0,0,0,0|1,0,0]=2 593 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,1,0,0,0,0|1,0,0]=2 594 B7R0.13 CCC(C)(C)N(C)C 2230a_200000755171_200000210301 [0,1,0,0,0,0|3,0,0]=4 595 B7R0.13 CCC(C)(C)N(C)C 269982a_100102631434_100000032637 [0,1,0,0,0,0|3,0,0]=4 596 B7R0.13 CCC(C)(C)N(C)C 269982a_200000755171_200000210301 [0,1,0,0,0,0|3,0,0]=4 597 B7R0.13 CCC(C)(C)N(C)[13CH3] 2230a_200000755171_200025704644 [0,1,0,0,0,0|3,0,0]=4 598 B7R0.13 CCC(C)(C)N(C)[13CH3] 269982a_200000755171_200025704644 [0,1,0,0,0,0|3,0,0]=4 599 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,1,0,0,0,0|1,0,0]=2 600 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,1,0,0,0,0|1,0,0]=2 601 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,1,0,0,0,0|2,0,0]=3 602 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,1,0,0,0,0|2,0,0]=3 603 B7R0.13 CN(C)C(C)(C)S[13CH3] 62a_200025704644_217856628674 [0,1,0,0,0,0|2,0,0]=3 604 B7R0.13 CN(C)C(C)(C)S[13CH3] 62a_217856628674_200025704644 [0,1,0,0,0,0|2,0,0]=3 605 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,1,0,0,0,0|1,0,0]=2 606 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [0,1,0,0,0,0|2,0,0]=3 607 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [0,1,0,0,0,0|2,0,0]=3 608 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [0,1,0,0,0,0|2,0,0]=3 609 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [0,1,0,0,0,0|2,0,0]=3 610 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [0,1,0,0,0,0|2,0,0]=3 611 B7R0.13 CNC(C)(C)C(C)C 2230a_200160471154_200000210301 [0,1,0,0,0,0|2,0,1]=4 612 B7R0.13 CNC(F)(F)C(=O)N 7a_106832991635_100009811971 [0,1,0,0,0,0|3,0,0]=4 613 B7R0.13 CNC(F)(F)C(=O)[O-] 34a_100102657272_100020612412 [0,1,0,0,0,0|3,0,0]=4 614 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,1,0,0,0,0|0,1,0]=2 615 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,1,0,0,0,0|0,1,0]=2 616 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,1,0,0,0,0|0,1,0]=2 617 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [0,1,0,0,0,0|1,1,0]=3 618 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [0,1,0,0,0,0|1,1,0]=3 619 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [0,1,0,0,0,0|1,1,0]=3 620 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,1,0,0,0,0|0,1,0]=2 621 B7R0.13 COC(C)(C)C(C)C 7a_100011215261_200000210301 [0,1,0,0,0,0|1,1,1]=4 622 B7R0.13 COC(F)(F)C(=O)[O-] 34a_100138415774_100020612412 [0,1,0,0,0,0|2,1,0]=4 623 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,1,0,0,0,0|0,0,0]=1 624 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,1,0,0,0,0|0,0,0]=1 625 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [0,1,0,0,0,0|1,0,0]=2 626 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [0,1,0,0,0,0|1,0,0]=2 627 B7R0.13 CSC(C)(C)N(C)C 62a_200000210301_217856628674 [0,1,0,0,0,0|2,0,0]=3 628 B7R0.13 CSC(C)(C)N(C)C 62a_217856628674_200000210301 [0,1,0,0,0,0|2,0,0]=3 629 B7R0.13 CSC(C)(C)[N+](=O)[O-] 62a_200000210301_200009813997 [0,1,0,0,0,0|2,0,0]=3 630 B7R0.13 CSC(C)(C)[N+](=O)[O-] 62a_200009813997_200000210301 [0,1,0,0,0,0|2,0,0]=3 631 B7R0.13 CSC(F)(F)C(=O)N 62a_100009811971_200000210301 [0,1,0,0,0,0|2,0,0]=3 632 B7R0.13 CSC(F)(F)C(=O)N 62a_200000210301_100009811971 [0,1,0,0,0,0|2,0,0]=3 633 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_100000745680_200000210301 [0,1,0,0,0,0|2,0,0]=3 634 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_200000210301_100000745680 [0,1,0,0,0,0|2,0,0]=3 635 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_100009811971_200025704644 [0,1,0,0,0,0|2,0,0]=3 636 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_200025704644_100009811971 [0,1,0,0,0,0|2,0,0]=3 637 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_100000745680_200025704644 [0,1,0,0,0,0|2,0,0]=3 638 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_200025704644_100000745680 [0,1,0,0,0,0|2,0,0]=3 639 B7R0.14 CCN(C)S(=O)(=O)C 40a_100000225621_100000738038 [0,1,0,0,0,0|3,0,0]=4 640 B7R0.14 CNC(C)C(C)(C)O 269862a_106832991636_100000747739 [0,1,0,0,0,0|1,0,2]=4 641 B7R0.14 CN[C@@H](C)C(C)(C)O 2230a_100025708725_200000210301 [0,1,0,0,0,0|1,0,2]=4 642 B7R0.14 CN[C@H](C)C(C)(C)C 2230a_100025703359_200000210301 [0,1,0,0,0,0|2,0,1]=4 643 B7R0.14 C[C@@H](N[13CH3])C(C)(C)C 2230a_100025703359_200025704644 [0,1,0,0,0,0|2,0,1]=4 644 B7R0.14 C[C@H](N[13CH3])C(C)(C)O 2230a_100025708725_200025704644 [0,1,0,0,0,0|1,0,2]=4 645 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,1,0,0,0,0|2,0,1]=4 646 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,1,0,0,0,0|2,0,1]=4 647 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [0,1,0,0,0,0|1,1,1]=4 648 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [0,1,0,0,0,0|2,0,1]=4 649 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [0,1,0,0,0,0|2,0,1]=4 650 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,1,0,0,0,0|1,0,0]=2 651 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,1,0,0,0,0|1,0,0]=2 652 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,1,0,0,0,0|1,0,0]=2 653 B7R0.15 CCC(CC)N(C)C 2230a_100000737045_200000210301 [0,1,0,0,0,0|3,0,0]=4 654 B7R0.15 CCC(CC)N(C)C 269982a_100000737045_200000210301 [0,1,0,0,0,0|3,0,0]=4 655 B7R0.15 CCC(CC)N(C)C 269982a_100102631434_100000210505 [0,1,0,0,0,0|3,0,0]=4 656 B7R0.15 CCC(CC)N(C)C 270004a_100102631434_100000210860 [0,1,0,0,0,0|3,0,0]=4 657 B7R0.15 CCC(CC)N(C)[13CH3] 2230a_100000737045_200025704644 [0,1,0,0,0,0|3,0,0]=4 658 B7R0.15 CCC(CC)N(C)[13CH3] 269982a_100000737045_200025704644 [0,1,0,0,0,0|3,0,0]=4 659 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,1,0,0,0,0|2,0,0]=3 660 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,1,0,0,0,0|2,0,0]=3 661 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,1,0,0,0,0|2,0,0]=3 662 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,1,0,0,0,0|2,0,0]=3 663 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,1,0,0,0,0|2,0,0]=3 664 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [0,1,0,0,0,0|2,0,1]=4 665 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,1,0,0,0,0|2,0,0]=3 666 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,1,0,0,0,0|2,0,0]=3 667 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,1,0,0,0,0|0,1,0]=2 668 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,1,0,0,0,0|1,1,0]=3 669 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,1,0,0,0,0|0,1,0]=2 670 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,1,0,0,0,0|1,1,1]=4 671 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,1,0,0,0,0|1,1,1]=4 672 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,1,0,0,0,0|1,1,1]=4 673 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,1,0,0,0,0|1,1,1]=4 674 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,1,0,0,0,0|1,0,0]=2 675 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,1,0,0,0,0|1,0,0]=2 676 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,1,0,0,0,0|1,0,0]=2 677 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,1,0,0,0,0|1,0,0]=2 678 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,1,0,0,0,0|2,0,0]=3 679 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,1,0,0,0,0|2,0,0]=3 680 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,1,0,0,0,0|2,0,0]=3 681 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,1,0,0,0,0|2,0,0]=3 682 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,1,0,0,0,0|2,0,0]=3 683 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,1,0,0,0,0|2,0,0]=3 684 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,1,0,0,0,0|1,0,2]=4 685 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,1,0,0,0,0|1,0,2]=4 686 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,1,0,0,0,0|1,0,2]=4 687 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,1,0,0,0,0|1,0,2]=4 688 B7R0.15 CNC(C#N)C(=O)N 2230a_100000039599_200000210301 [0,1,0,0,0,0|2,0,1]=4 689 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,1,0,0,0,0|2,0,0]=3 690 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,1,0,0,0,0|2,0,0]=3 691 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|2,0,0]=3 692 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [0,1,0,0,0,0|2,0,1]=4 693 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [0,1,0,0,0,0|2,0,1]=4 694 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,1,0,0,0,0|1,0,2]=4 695 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,1,0,0,0,0|1,0,2]=4 696 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [0,1,0,0,0,0|1,1,1]=4 697 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,1,0,0,0,0|0,1,0]=2 698 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,1,0,0,0,0|0,1,0]=2 699 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,1,0,0,0,0|1,0,2]=4 700 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,1,0,0,0,0|1,0,2]=4 701 B7R0.15 [13CH3]NC(C#N)C(=O)N 2230a_100000039599_200025704644 [0,1,0,0,0,0|2,0,1]=4 702 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,1,0,0,0,0|2,0,0]=3 703 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,1,0,0,0,0|2,0,0]=3 704 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|2,0,0]=3 705 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,0,0,0,0|2,0,1]=4 706 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,1,0,0,0,0|1,0,0]=2 707 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,1,0,0,0,0|2,0,0]=3 708 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,0,0,0,0|1,0,0]=2 709 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,1,0,0,0,0|1,0,0]=2 710 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,1,0,0,0,0|1,0,0]=2 711 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,1,0,0,0,0|3,0,0]=4 712 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,1,0,0,0,0|3,0,0]=4 713 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,0,0,0,0|2,0,0]=3 714 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,0,0,0,0|2,0,0]=3 715 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,0,0,0,0|2,0,0]=3 716 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,0,0,0,0|2,0,0]=3 717 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,1,0,0,0,0|1,0,0]=2 718 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,0,0,0,0|2,0,0]=3 719 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,1,0,0,0,0|2,0,0]=3 720 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,1,0,0,0,0|2,0,0]=3 721 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,0,0,0,0|2,0,0]=3 722 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,0,0,0,0|2,0,0]=3 723 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,0,0,0,0|1,0,0]=2 724 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [0,1,0,0,0,0|2,0,1]=4 725 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [0,1,0,0,0,0|2,0,1]=4 726 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [0,1,0,0,0,0|2,0,1]=4 727 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [0,1,0,0,0,0|2,0,1]=4 728 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,0,0,0,0|2,0,0]=3 729 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,0,0,0,0|2,0,1]=4 730 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,1,0,0,0,0|3,0,0]=4 731 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,1,0,0,0,0|3,0,0]=4 732 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,1,0,0,0,0|1,0,0]=2 733 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,0,0,1,0,0|2,0,0]=3 734 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,0,0,1,0,0|2,0,0]=3 735 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,0,0,1,0,0|2,0,0]=3 736 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,0,0,1,0,0|2,0,0]=3 737 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,0,0,1,0,0|2,0,0]=3 738 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,0,0,1,0,0|2,0,0]=3 739 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 740 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 741 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 742 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 743 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 744 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 745 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,1,0,0|3,0,0]=4 746 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,1,0,0|3,0,0]=4 747 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,1,0,0|3,0,0]=4 748 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,1,0,0|3,0,0]=4 749 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,0,0,1,0,0|1,0,0]=2 750 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,0,0,1,0,0|1,0,0]=2 751 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,0,0,1,0,0|0,1,0]=2 752 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,0,0,1,0,0|0,0,0]=1 753 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,0,0,1,0,0|0,0,0]=1 754 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,0,0,1,0,0|0,0,0]=1 755 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,0,0,1,0,0|0,0,0]=1 756 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,0,1,0,0|1,0,0]=2 757 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,0,0,1,0,0|2,0,0]=3 758 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,0,1,0,0|1,0,0]=2 759 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,0,0,1,0,0|2,0,0]=3 760 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,0,0,1,0,0|1,0,2]=4 761 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,0,0,1,0,0|1,0,2]=4 762 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,0,0,1,0,0|1,0,2]=4 763 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,0,0,1,0,0|1,0,2]=4 764 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,0,1,0,0|1,0,0]=2 765 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,0,1,0,0|1,0,0]=2 766 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,0,1,0,0|0,1,0]=2 767 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,0,1,0,0|2,0,0]=3 768 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,0,1,0,0|2,0,0]=3 769 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,0,1,0,0|2,0,0]=3 770 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,0,1,0,0|2,0,0]=3 771 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,0,1,0,0|2,0,0]=3 772 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [0,0,0,1,0,0|3,0,0]=4 773 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [0,0,0,1,0,0|3,0,0]=4 774 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [0,0,0,1,0,0|3,0,0]=4 775 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [0,0,0,1,0,0|3,0,0]=4 776 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [0,0,0,1,0,0|3,0,0]=4 777 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [0,0,0,1,0,0|3,0,0]=4 778 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [0,0,0,1,0,0|3,0,0]=4 779 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [0,0,0,1,0,0|3,0,0]=4 780 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,0,1,0,0|1,0,0]=2 781 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,0,1,0,0|0,1,0]=2 782 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,0,1,0,0|2,0,0]=3 783 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,0,0,1,0,0|1,0,0]=2 784 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,0,0,1,0,0|2,0,0]=3 785 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,0,0,1,0,0|2,0,0]=3 786 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,0,0,1,0,0|1,0,0]=2 787 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,0,0,1,0,0|2,0,0]=3 788 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,0,0,1,0,0|2,0,0]=3 789 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,0,0,1,0,0|2,0,1]=4 790 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,0,0,1,0,0|2,0,1]=4 791 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,0,0,1,0,0|1,1,1]=4 792 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,0,0,1,0,0|1,1,1]=4 793 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,0,0,1,0,0|2,0,1]=4 794 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,0,0,1,0,0|2,0,1]=4 795 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,0,0,1,0,0|2,0,1]=4 796 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,0,0,1,0,0|1,0,2]=4 797 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,0,0,1,0,0|1,1,1]=4 798 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,0,0,1,0,0|1,1,1]=4 799 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,0,0,0,0,1|1,0,1]=3 800 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,0,0,0,0,1|1,0,1]=3 801 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,0,0,0,0,1|1,0,1]=3 802 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,0,0,0,0,1|1,0,1]=3 803 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,0,0,0,0,1|3,0,0]=4 804 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,0,0,0,0,1|3,0,0]=4 805 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,0,0,0,0,1|3,0,0]=4 806 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,0,0,0,0,1|3,0,0]=4 807 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,0,0,0,0,1|3,0,0]=4 808 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,0,0,0,0,1|3,0,0]=4 809 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,0,0,0,0,1|3,0,0]=4 810 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,0,0,0,0,1|3,0,0]=4 811 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,0,0,0,0,1|1,0,1]=3 812 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,0,0,0,0,1|1,0,1]=3 813 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,0,0,0,0,1|1,1,0]=3 814 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,0,0,0,0,1|2,0,0]=3 815 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,0,0,0,0,1|2,0,0]=3 816 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,0,0,0,0,1|2,0,0]=3 817 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,0,0,0,0,1|2,0,0]=3 818 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,0,0,0,0,1|2,0,0]=3 819 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,0,0,0,0,1|2,0,0]=3 820 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,0,0,0,0,1|2,0,0]=3 821 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,0,0,0,0,1|2,0,0]=3 822 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,0,0,0,0,1|2,0,0]=3 823 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,0,0,0,0,1|2,0,0]=3 824 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,0,0,0,0,1|0,0,0]=1 825 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,0,0,0,0,1|0,0,0]=1 826 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,0,0,0,0,1|2,0,1]=4 827 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,0,0,0,0,1|1,1,1]=4 828 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,0,0,0,0,1|1,1,1]=4 829 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,0,0,0,0,1|1,0,1]=3 830 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,0,0,0,0,1|1,0,1]=3 831 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,0,0,0,0,1|2,0,0]=3 832 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,0,0,0,0,1|2,0,0]=3 833 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,0,0,0,0,1|1,0,1]=3 834 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,0,0,0,0,1|1,0,1]=3 835 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,0,1|2,0,1]=4 836 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,0,0,0,0,1|1,0,0]=2 837 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,0,0,0,0,1|1,0,0]=2 838 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,0,0,0,0,1|1,0,0]=2 839 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,0,0,0,0,1|3,0,0]=4 840 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,0,0,0,0,1|3,0,0]=4 841 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,0,0,0,0,1|3,0,0]=4 842 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,0,0,0,0,1|3,0,0]=4 843 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,0,0,0,0,1|3,0,0]=4 844 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,0,0,0,0,1|3,0,0]=4 845 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,0,0,0,0,1|3,0,0]=4 846 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,0,0,0,0,1|1,0,0]=2 847 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,0,0,0,0,1|1,0,0]=2 848 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,0,0,0,0,1|1,0,0]=2 849 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,0,0,0,0,1|1,0,0]=2 850 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,0,0,0,0,1|2,0,1]=4 851 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,0,0,0,0,1|2,0,1]=4 852 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,0,0,0,0,1|2,0,1]=4 853 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,0,0,0,0,1|2,0,1]=4 854 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,0,0,0,0,1|2,0,1]=4 855 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,0,0,0,0,1|2,0,1]=4 856 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,0,0,0,0,1|2,0,1]=4 857 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,0,0,0,0,1|2,0,0]=3 858 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,0,0,0,0,1|2,0,0]=3 859 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,0,0,0,0,1|2,0,0]=3 860 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,0,0,0,0,1|2,0,0]=3 861 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,0,0,0,0,1|3,0,0]=4 862 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,0,0,0,0,1|3,0,0]=4 863 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,0,0,0,0,1|3,0,0]=4 864 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,0,0,0,0,1|3,0,0]=4 865 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,0,0,0,0,1|3,0,0]=4 866 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,0,0,0,0,1|2,0,0]=3 867 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,0,0,0,0,1|3,0,0]=4 868 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,0,0,0,0,1|3,0,0]=4 869 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,0,0,0,0,1|1,0,0]=2 870 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,0,0,0,0,1|3,0,0]=4 871 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,0,0,0,0,1|3,0,0]=4 872 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,0,0,0,0,1|2,0,1]=4 873 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,0,0,0,0,1|2,0,1]=4 874 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,0,0,0,0,1|2,0,1]=4 875 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,0,0,0,0,1|2,0,1]=4 876 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,0,0,0,0,1|2,0,1]=4 877 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,0,0,0,0,1|1,1,1]=4 878 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,0,0,0,0,1|1,1,1]=4 879 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,0,0,0,0,1|1,1,1]=4 880 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,0,0,0,0,1|1,1,0]=3 881 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,0,0,0,0,1|1,1,1]=4 882 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,0,0,0,0,1|1,1,1]=4 883 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,0,0,0,0,1|1,1,1]=4 884 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,0,0,0,0,1|1,1,1]=4 885 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,0,0,0,0,1|1,1,1]=4 886 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,0,0,0,0,1|1,0,1]=3 887 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,0,0,0,0,1|1,0,1]=3 888 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,0,0,0,0,1|2,0,0]=3 889 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,0,0,0,0,1|2,0,0]=3 890 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,0,0,0,0,1|0,0,0]=1 891 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,0,0,0,0,1|0,0,0]=1 892 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [2,0,0,0,0,0|0,0,2]=4 893 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [2,0,0,0,0,0|0,0,2]=4 894 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|0,0,2]=4 895 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|0,0,2]=4 896 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,0]=3 897 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|0,1,0]=3 898 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [2,0,0,0,0,0|1,0,0]=3 899 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [2,0,0,0,0,0|1,0,0]=3 900 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|0,1,0]=3 901 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [2,0,0,0,0,0|0,0,0]=2 902 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [2,0,0,0,0,0|0,0,0]=2 903 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,0]=2 904 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,0]=2 905 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,0]=2 906 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 907 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|1,0,1]=4 908 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 909 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|1,0,1]=4 910 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 911 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 912 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,0]=3 913 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 914 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 915 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,0]=3 916 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [2,0,0,0,0,0|1,0,0]=3 917 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [2,0,0,0,0,0|1,0,0]=3 918 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [2,0,0,0,0,0|1,0,0]=3 919 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [2,0,0,0,0,0|1,0,0]=3 920 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [2,0,0,0,0,0|1,0,0]=3 921 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|0,1,0]=3 922 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|0,1,0]=3 923 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [2,0,0,0,0,0|0,0,0]=2 924 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [2,0,0,0,0,0|0,0,0]=2 925 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|0,1,0]=3 926 B4R0.2 C#CCSC 62a_100000038162_200000210301 [2,0,0,0,0,0|0,0,2]=4 927 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [2,0,0,0,0,0|0,0,2]=4 928 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 929 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 930 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 931 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 932 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 933 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|0,1,1]=4 934 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|0,1,1]=4 935 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|0,1,1]=4 936 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|0,0,1]=3 937 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|0,0,1]=3 938 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|0,0,1]=3 939 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|0,0,1]=3 940 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 941 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,1]=4 942 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 943 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|0,1,1]=4 944 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|0,1,1]=4 945 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|0,1,1]=4 946 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|0,0,1]=3 947 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|0,0,1]=3 948 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|0,0,1]=3 949 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|0,0,1]=3 950 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 951 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,0]=3 952 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 953 B4R0.2 CNCOC 2230a_106832991635_100000766300 [2,0,0,0,0,0|1,1,0]=4 954 B4R0.2 CNCSC 2230a_106832991635_100011218213 [2,0,0,0,0,0|1,0,0]=3 955 B4R0.2 CNCSC 34a_100102657272_100011218213 [2,0,0,0,0,0|1,0,0]=3 956 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|0,1,0]=3 957 B4R0.2 COCSC 34a_100138415774_100011218213 [2,0,0,0,0,0|1,0,0]=3 958 B4R0.2 COCSC 62a_100000766300_200000210301 [2,0,0,0,0,0|1,0,0]=3 959 B4R0.2 COCSC 62a_200000210301_100000766300 [2,0,0,0,0,0|1,0,0]=3 960 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [2,0,0,0,0,0|1,0,0]=3 961 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [2,0,0,0,0,0|1,0,0]=3 962 B4R0.2 CSCC#N 62a_100011215382_200000210301 [2,0,0,0,0,0|1,0,1]=4 963 B4R0.2 CSCC#N 62a_200000210301_100011215382 [2,0,0,0,0,0|1,0,1]=4 964 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|0,0,0]=2 965 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|0,0,0]=2 966 B4R0.2 CSCCF 62a_100011217306_200000210301 [2,0,0,0,0,0|1,0,1]=4 967 B4R0.2 CSCCF 62a_200000210301_100011217306 [2,0,0,0,0,0|1,0,1]=4 968 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|0,0,2]=4 969 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|0,0,2]=4 970 B4R0.2 CSCSC 62a_100011218213_200000210301 [2,0,0,0,0,0|1,0,0]=3 971 B4R0.2 CSCSC 62a_200000210301_100011218213 [2,0,0,0,0,0|1,0,0]=3 972 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [2,0,0,0,0,0|1,0,0]=3 973 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [2,0,0,0,0,0|1,0,0]=3 974 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [2,0,0,0,0,0|1,0,1]=4 975 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [2,0,0,0,0,0|1,0,1]=4 976 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|0,0,0]=2 977 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|0,0,0]=2 978 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [2,0,0,0,0,0|1,0,1]=4 979 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [2,0,0,0,0,0|1,0,1]=4 980 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|0,0,2]=4 981 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|0,0,2]=4 982 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,1,0,0,0,0|1,0,1]=4 983 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,1,0,0,0,0|1,0,1]=4 984 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,1,0,0,0,0|1,0,1]=4 985 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [1,1,0,0,0,0|1,0,1]=4 986 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [1,1,0,0,0,0|1,0,1]=4 987 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [1,1,0,0,0,0|1,0,1]=4 988 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [1,1,0,0,0,0|1,0,1]=4 989 B6R0.1 C=C(C#N)CSC 62a_200000210301_100000694840 [1,1,0,0,0,0|1,0,1]=4 990 B6R0.1 C=C(C#N)CS[13CH3] 62a_200025704644_100000694840 [1,1,0,0,0,0|1,0,1]=4 991 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,1,0,0,0,0|1,0,1]=4 992 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,1,0,0,0,0|1,0,1]=4 993 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,1,0,0,0,0|1,0,1]=4 994 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [1,1,0,0,0,0|1,0,1]=4 995 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,1,0,0,0,0|1,0,1]=4 996 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,1,0,0,0,0|1,0,1]=4 997 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,1,0,0,0,0|1,0,1]=4 998 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,1,0,0,0,0|1,0,1]=4 999 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,1,0,0,0,0|1,0,1]=4 1000 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,1,0,0,0,0|1,0,1]=4 1001 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [1,1,0,0,0,0|1,0,1]=4 1002 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,1,0,0,0,0|1,0,1]=4 1003 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,1,0,0,0,0|1,0,1]=4 1004 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,1,0,0,0,0|1,0,1]=4 1005 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,1,0,0,0,0|1,0,1]=4 1006 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,1,0,0,0,0|1,0,1]=4 1007 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,1,0,0,0,0|2,0,0]=4 1008 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,1,0,0,0,0|2,0,0]=4 1009 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,1,0,0,0,0|2,0,0]=4 1010 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,1,0,0,0,0|2,0,0]=4 1011 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,1,0,0,0,0|2,0,0]=4 1012 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,1,0,0,0,0|1,0,0]=3 1013 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,1,0,0,0,0|0,1,0]=3 1014 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,1,0,0,0,0|0,1,0]=3 1015 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,1,0,0,0,0|0,1,0]=3 1016 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,1,0,0,0,0|0,0,0]=2 1017 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,1,0,0,0,0|0,0,0]=2 1018 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,1,0,0,0,0|0,0,0]=2 1019 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,1,0,0,0,0|0,0,0]=2 1020 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,1,0,0,0,0|0,0,0]=2 1021 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,1,0,0,0,0|2,0,0]=4 1022 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,1,0,0,0,0|1,0,1]=4 1023 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,1,0,0,0,0|1,0,1]=4 1024 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,1,0,0,0,0|1,0,1]=4 1025 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,1,0,0,0,0|1,0,1]=4 1026 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,1,0,0,0,0|0,0,2]=4 1027 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,1,0,0,0,0|0,0,2]=4 1028 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,1,0,0,0,0|0,0,2]=4 1029 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,1,0,0,0,0|0,0,2]=4 1030 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|1,0,0]=3 1031 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|1,0,0]=3 1032 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,1,0,0,0,0|1,0,0]=3 1033 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|1,0,0]=3 1034 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,1,0,0,0,0|1,0,0]=3 1035 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,1,0,0,0,0|1,0,0]=3 1036 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,1,0,0,0,0|1,0,0]=3 1037 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,1,0,0,0,0|1,0,0]=3 1038 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [1,1,0,0,0,0|2,0,0]=4 1039 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [1,1,0,0,0,0|2,0,0]=4 1040 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1041 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1042 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1043 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|2,0,0]=4 1044 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|2,0,0]=4 1045 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,1,0,0,0,0|2,0,0]=4 1046 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,1,0,0,0,0|2,0,0]=4 1047 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,1,0,0,0,0|2,0,0]=4 1048 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,1,0,0,0,0|2,0,0]=4 1049 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,1,0,0,0,0|2,0,0]=4 1050 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,1,0,0,0,0|2,0,0]=4 1051 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,1,0,0,0,0|1,0,1]=4 1052 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,1,0,0,0,0|1,0,1]=4 1053 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,1,0,0,0,0|1,0,1]=4 1054 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,1,0,0,0,0|1,0,1]=4 1055 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [1,1,0,0,0,0|2,0,0]=4 1056 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [1,1,0,0,0,0|2,0,0]=4 1057 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,1,0,0,0,0|2,0,0]=4 1058 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,1,0,0,0,0|1,0,0]=3 1059 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,1,0,0,0,0|0,1,0]=3 1060 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,1,0,0,0,0|0,1,0]=3 1061 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,1,0,0,0,0|0,1,0]=3 1062 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,1,0,0,0,0|0,1,0]=3 1063 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,1,0,0,0,0|0,1,0]=3 1064 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,1,0,0,0,0|0,1,0]=3 1065 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,1,0,0,0,0|0,1,0]=3 1066 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,1,0,0,0,0|0,0,0]=2 1067 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,1,0,0,0,0|0,0,0]=2 1068 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,1,0,0,0,0|0,0,0]=2 1069 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,1,0,0,0,0|0,0,0]=2 1070 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,1,0,0,0,0|0,0,0]=2 1071 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,1,0,0,0,0|0,0,0]=2 1072 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,1,0,0,0,0|0,0,0]=2 1073 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,1,0,0,0,0|0,0,0]=2 1074 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,1,0,0,0,0|1,0,1]=4 1075 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,1,0,0,0,0|1,0,0]=3 1076 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,1,0,0,0,0|1,0,0]=3 1077 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,1,0,0,0,0|1,0,0]=3 1078 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,1,0,0,0,0|1,0,0]=3 1079 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,1,0,0,0,0|1,0,0]=3 1080 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,1,0,0,0,0|1,0,0]=3 1081 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,1,0,0,0,0|1,0,0]=3 1082 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,1,0,0,0,0|2,0,0]=4 1083 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,1,0,0,0,0|2,0,0]=4 1084 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,1,0,0,0,0|2,0,0]=4 1085 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,1,0,0,0,0|2,0,0]=4 1086 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,1,0,0,0,0|0,0,0]=2 1087 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,1,0,0,0,0|0,0,0]=2 1088 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,1,0,0,0,0|0,0,0]=2 1089 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,1,0,0,0,0|0,0,0]=2 1090 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,1,0,0,0,0|0,1,0]=3 1091 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,1,0,0,0,0|0,1,0]=3 1092 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,1,0,0,0,0|0,0,0]=2 1093 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,1,0,0,0,0|0,0,2]=4 1094 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,1,0,0,0,0|0,0,2]=4 1095 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,1,0,0,0,0|0,0,2]=4 1096 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,1,0,0,0,0|0,0,2]=4 1097 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [1,1,0,0,0,0|0,0,2]=4 1098 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [1,1,0,0,0,0|0,0,2]=4 1099 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,1,0,0,0,0|0,0,2]=4 1100 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,1,0,0,0,0|0,0,2]=4 1101 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,1,0,0,0,0|0,0,2]=4 1102 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,1,0,0,0,0|0,0,2]=4 1103 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [1,1,0,0,0,0|2,0,0]=4 1104 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [1,1,0,0,0,0|2,0,0]=4 1105 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,1,0,0,0,0|2,0,0]=4 1106 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,1,0,0,0,0|2,0,0]=4 1107 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,1,0,0,0,0|2,0,0]=4 1108 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,1,0,0,0,0|0,0,2]=4 1109 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,1,0,0,0,0|0,0,2]=4 1110 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [1,1,0,0,0,0|0,0,2]=4 1111 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [1,1,0,0,0,0|0,0,2]=4 1112 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,1,0,0,0,0|0,0,2]=4 1113 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,1,0,0,0,0|0,0,2]=4 1114 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,1,0,0,0,0|1,0,0]=3 1115 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [1,1,0,0,0,0|2,0,0]=4 1116 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [1,1,0,0,0,0|2,0,0]=4 1117 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [1,1,0,0,0,0|2,0,0]=4 1118 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [1,1,0,0,0,0|2,0,0]=4 1119 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [1,1,0,0,0,0|2,0,0]=4 1120 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [1,1,0,0,0,0|2,0,0]=4 1121 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [1,1,0,0,0,0|1,0,1]=4 1122 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,1,0,0,0,0|1,0,1]=4 1123 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,1,0,0,0,0|1,0,1]=4 1124 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,1,0,0,0,0|1,0,1]=4 1125 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,1,0,0,0,0|1,0,1]=4 1126 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,1,0,0,0,0|1,0,1]=4 1127 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,1,0,0,0,0|1,0,1]=4 1128 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,1,0,0,0,0|2,0,0]=4 1129 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,1,0,0,0,0|2,0,0]=4 1130 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,1,0,0,0,0|2,0,0]=4 1131 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|1,0,0]=3 1132 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|1,0,0]=3 1133 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|1,0,0]=3 1134 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,1,0,0,0,0|2,0,0]=4 1135 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,1,0,0,0,0|1,0,0]=3 1136 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|1,0,0]=3 1137 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [1,1,0,0,0,0|2,0,0]=4 1138 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,1,0,0,0,0|0,0,1]=3 1139 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 1140 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 1141 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 1142 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|2,0,0]=4 1143 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|1,0,0]=3 1144 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,1,0,0,0,0|2,0,0]=4 1145 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,1,0,0,0,0|2,0,0]=4 1146 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,1,0,0,0,0|2,0,0]=4 1147 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,1,0,0,0,0|2,0,0]=4 1148 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,1,0,0,0,0|1,0,0]=3 1149 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,1,0,0,0,0|2,0,0]=4 1150 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,1,0,0,0,0|2,0,0]=4 1151 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,1,0,0,0,0|2,0,0]=4 1152 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|1,0,0]=3 1153 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,1,0,0,0,0|0,0,1]=3 1154 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,1,0,0,0,0|2,0,0]=4 1155 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,1,0,0,0,0|1,0,1]=4 1156 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,1,0,0,0,0|1,0,1]=4 1157 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,1,0,0,0,0|1,0,1]=4 1158 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,1,0,0,0,0|1,0,1]=4 1159 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,1,0,0,0,0|1,0,1]=4 1160 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,1,0,0,0,0|1,0,1]=4 1161 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,1,0,0,0,0|1,0,1]=4 1162 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|1,0,0]=3 1163 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,1,0,0,0,0|2,0,0]=4 1164 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,1,0,0,0,0|2,0,0]=4 1165 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,1,0,0,0,0|2,0,0]=4 1166 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|1,1,0]=4 1167 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|1,1,0]=4 1168 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|1,1,0]=4 1169 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,1,0,0,0,0|1,0,0]=3 1170 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,1,0,0,0,0|1,0,0]=3 1171 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,1,0,0,0,0|1,0,0]=3 1172 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,1,0,0,0,0|1,0,0]=3 1173 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|2,0,0]=4 1174 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|1,1,0]=4 1175 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|1,1,0]=4 1176 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [1,1,0,0,0,0|1,1,0]=4 1177 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|1,0,0]=3 1178 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|1,0,0]=3 1179 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [1,1,0,0,0,0|1,0,0]=3 1180 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [1,1,0,0,0,0|1,0,0]=3 1181 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,1,0,0,0,0|1,0,1]=4 1182 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,1,0,0,0,0|1,0,1]=4 1183 B6R0.4 C=C(F)CSCF 62a_100000042424_100015361967 [1,1,0,0,0,0|1,0,1]=4 1184 B6R0.4 C=C(F)CSCF 62a_100015361967_100000042424 [1,1,0,0,0,0|1,0,1]=4 1185 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,1,0,0,0,0|1,0,1]=4 1186 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,1,0,0,0,0|1,0,1]=4 1187 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,1,0,0,0,0|1,0,1]=4 1188 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,1,0,0,0,0|1,0,1]=4 1189 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,1,0,0,0,0|1,0,1]=4 1190 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,1,0,0,0,0|1,0,1]=4 1191 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,1,0,0,0,0|1,0,0]=3 1192 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,1,0,0,0,0|2,0,0]=4 1193 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,1,0,0,0,0|1,1,0]=4 1194 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,1,0,0,0,0|1,0,0]=3 1195 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,1,0,0,0,0|1,0,0]=3 1196 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,1,0,0,0,0|1,0,1]=4 1197 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,1,0,0,0,0|1,0,1]=4 1198 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,1,0,0,0,0|1,0,1]=4 1199 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|1,0,0]=3 1200 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|1,0,0]=3 1201 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|0,1,0]=3 1202 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|0,1,0]=3 1203 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|0,0,0]=2 1204 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|0,0,0]=2 1205 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|0,1,0]=3 1206 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,1,0,0,0,0|2,0,0]=4 1207 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,1,0,0,0,0|2,0,0]=4 1208 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 1209 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 1210 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 1211 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|2,0,0]=4 1212 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|2,0,0]=4 1213 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|2,0,0]=4 1214 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|0,0,0]=2 1215 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|0,0,0]=2 1216 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,1,0,0,0,0|1,0,1]=4 1217 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,1,0,0,0,0|1,0,1]=4 1218 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,1,0,0,0,0|1,0,1]=4 1219 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,1,0,0,0,0|1,0,1]=4 1220 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,1,0,0,0,0|1,0,1]=4 1221 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,1,0,0,0,0|1,0,1]=4 1222 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,1,0,0,0,0|0,0,2]=4 1223 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,1,0,0,0,0|0,0,2]=4 1224 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [1,1,0,0,0,0|0,0,2]=4 1225 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [1,1,0,0,0,0|0,0,2]=4 1226 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|1,0,0]=3 1227 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|1,0,0]=3 1228 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|1,0,0]=3 1229 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,1,0,0,0,0|2,0,0]=4 1230 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|1,0,1]=4 1231 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|1,0,1]=4 1232 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|1,0,1]=4 1233 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|1,0,1]=4 1234 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|1,0,0]=3 1235 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|1,0,0]=3 1236 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|1,0,0]=3 1237 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|1,0,0]=3 1238 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|1,0,0]=3 1239 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|1,0,0]=3 1240 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|1,0,0]=3 1241 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|2,0,0]=4 1242 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|2,0,0]=4 1243 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|2,0,0]=4 1244 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|2,0,0]=4 1245 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|0,1,0]=3 1246 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|0,1,0]=3 1247 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,1,0,0,0,0|1,1,0]=4 1248 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|0,1,0]=3 1249 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,1,0,0,0,0|1,1,0]=4 1250 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|0,0,0]=2 1251 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,1,0,0,0,0|1,0,0]=3 1252 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,1,0,0,0,0|1,0,0]=3 1253 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|0,0,0]=2 1254 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,1,0,0,0,0|1,0,0]=3 1255 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,1,0,0,0,0|1,0,0]=3 1256 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,1,0,0,0,0|1,0,1]=4 1257 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,1,0,0,0,0|1,0,1]=4 1258 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,1,0,0,0,0|0,0,2]=4 1259 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,1,0,0,0,0|0,0,2]=4 1260 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,1,0,0,0,0|0,0,2]=4 1261 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,1,0,0,0,0|0,0,2]=4 1262 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,1,0,0,0,0|2,0,0]=4 1263 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,1,0,0,0,0|2,0,0]=4 1264 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,1,0,0,0,0|2,0,0]=4 1265 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,1,0,0,0,0|2,0,0]=4 1266 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,1,0,0,0,0|2,0,0]=4 1267 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,1,0,0,0,0|2,0,0]=4 1268 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|1,0,0]=3 1269 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,1,0,0,0,0|2,0,0]=4 1270 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,1,0,0,0,0|2,0,0]=4 1271 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,1,0,0,0,0|2,0,0]=4 1272 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|1,0,0]=3 1273 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,1,0,0,0,0|1,1,0]=4 1274 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|0,1,1]=4 1275 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|0,1,1]=4 1276 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,1,0,0,0,0|1,1,0]=4 1277 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,1,0,0,0,0|1,1,0]=4 1278 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|0,1,0]=3 1279 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|0,1,0]=3 1280 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|0,1,0]=3 1281 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|0,1,0]=3 1282 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,1,0,0,0,0|1,1,0]=4 1283 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,1,0,0,0,0|1,1,0]=4 1284 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,1,0,0,0,0|1,1,0]=4 1285 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|0,1,0]=3 1286 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|0,1,0]=3 1287 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,1,0,0,0,0|1,0,0]=3 1288 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,1,0,0,0,0|1,0,0]=3 1289 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|0,0,0]=2 1290 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|0,0,0]=2 1291 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|0,0,0]=2 1292 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|0,0,0]=2 1293 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,1,0,0,0,0|1,0,0]=3 1294 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,1,0,0,0,0|1,0,0]=3 1295 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|0,0,0]=2 1296 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,1,0,0,0,0|1,0,1]=4 1297 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,1,0,0,0,0|1,0,1]=4 1298 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,1,0,0,0,0|0,0,2]=4 1299 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,1,0,0,0,0|0,0,2]=4 1300 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,1,0,0,0,0|2,0,0]=4 1301 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,1,0,0,0,0|2,0,0]=4 1302 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,1,0,0,0,0|2,0,0]=4 1303 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,1,0,0,0,0|2,0,0]=4 1304 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,1,0,0,0,0|2,0,0]=4 1305 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,1,0,0,0,0|2,0,0]=4 1306 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,1,0,0,0,0|2,0,0]=4 1307 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,1,0,0,0,0|1,0,1]=4 1308 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,1,0,0,0,0|1,0,1]=4 1309 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|0,0,0]=2 1310 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|0,0,0]=2 1311 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,1,0,0,0,0|1,0,1]=4 1312 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,1,0,0,0,0|1,0,1]=4 1313 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,1,0,0,0,0|1,0,1]=4 1314 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,1,0,0,0,0|1,0,1]=4 1315 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,1,0,0,0,0|1,0,1]=4 1316 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [1,1,0,0,0,0|0,0,2]=4 1317 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [1,1,0,0,0,0|0,0,2]=4 1318 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,1,0,0,0,0|1,0,0]=3 1319 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,1,0,0,0,0|1,0,0]=3 1320 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,1,0,0,0,0|2,0,0]=4 1321 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,1,0,0,0,0|1,0,0]=3 1322 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,1,0,0,0,0|1,0,0]=3 1323 B6R0.4 O=[N+]([O-])CSCF 62a_100015361967_100000761209 [1,1,0,0,0,0|2,0,0]=4 1324 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,1,0,0,0,0|1,0,1]=4 1325 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,1,0,0,0,0|1,0,1]=4 1326 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,1,0,0,0,0|1,1,0]=4 1327 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,1,0,0,0,0|1,1,0]=4 1328 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,1,0,0,0,0|1,1,0]=4 1329 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,1,0,0,0,0|1,0,0]=3 1330 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,1,0,0,0,0|1,0,0]=3 1331 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [1,1,0,0,0,0|1,0,1]=4 1332 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [1,1,0,0,0,0|1,0,1]=4 1333 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [1,1,0,0,0,0|1,0,1]=4 1334 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [1,1,0,0,0,0|1,0,1]=4 1335 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [1,1,0,0,0,0|0,0,2]=4 1336 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [1,1,0,0,0,0|0,0,2]=4 1337 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [1,1,0,0,0,0|1,0,1]=4 1338 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [1,1,0,0,0,0|1,0,1]=4 1339 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [1,1,0,0,0,0|1,0,1]=4 1340 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [1,1,0,0,0,0|1,0,1]=4 1341 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [1,1,0,0,0,0|0,0,2]=4 1342 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [1,1,0,0,0,0|0,0,2]=4 1343 B6R0.5 CSCS(=O)(=O)N 62a_100000741382_200000210301 [1,1,0,0,0,0|2,0,0]=4 1344 B6R0.5 CSCS(=O)(=O)N 62a_200000210301_100000741382 [1,1,0,0,0,0|2,0,0]=4 1345 B6R0.5 CSCS(=O)(=O)[O-] 62a_100009817235_200000210301 [1,1,0,0,0,0|2,0,0]=4 1346 B6R0.5 CSCS(=O)(=O)[O-] 62a_200000210301_100009817235 [1,1,0,0,0,0|2,0,0]=4 1347 B6R0.5 CSC[N+](C)(C)C 62a_200000036245_200000210301 [1,1,0,0,0,0|2,0,0]=4 1348 B6R0.5 CSC[N+](C)(C)C 62a_200000210301_200000036245 [1,1,0,0,0,0|2,0,0]=4 1349 B6R0.5 CSC[Si](C)(C)C 62a_100000037933_200000210301 [1,1,0,0,0,0|1,1,0]=4 1350 B6R0.5 CSC[Si](C)(C)C 62a_200000210301_100000037933 [1,1,0,0,0,0|1,1,0]=4 1351 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200000036245_200025704644 [1,1,0,0,0,0|2,0,0]=4 1352 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200025704644_200000036245 [1,1,0,0,0,0|2,0,0]=4 1353 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_100000037933_200025704644 [1,1,0,0,0,0|1,1,0]=4 1354 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_200025704644_100000037933 [1,1,0,0,0,0|1,1,0]=4 1355 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_100000741382_200025704644 [1,1,0,0,0,0|2,0,0]=4 1356 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_200025704644_100000741382 [1,1,0,0,0,0|2,0,0]=4 1357 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_100009817235_200025704644 [1,1,0,0,0,0|2,0,0]=4 1358 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_200025704644_100009817235 [1,1,0,0,0,0|2,0,0]=4 1359 B6R0.8 C#CC(C)(C)SC 62a_100000038118_200000210301 [1,1,0,0,0,0|0,0,2]=4 1360 B6R0.8 C#CC(C)(C)SC 62a_200000210301_100000038118 [1,1,0,0,0,0|0,0,2]=4 1361 B6R0.8 C#CC(C)(C)S[13CH3] 62a_100000038118_200025704644 [1,1,0,0,0,0|0,0,2]=4 1362 B6R0.8 C#CC(C)(C)S[13CH3] 62a_200025704644_100000038118 [1,1,0,0,0,0|0,0,2]=4 1363 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [1,1,0,0,0,0|0,1,1]=4 1364 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [1,1,0,0,0,0|0,1,1]=4 1365 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [1,1,0,0,0,0|0,1,1]=4 1366 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [1,1,0,0,0,0|0,1,1]=4 1367 B6R0.8 C=CC(F)(F)SC 62a_100009814244_200000210301 [1,1,0,0,0,0|1,0,1]=4 1368 B6R0.8 C=CC(F)(F)SC 62a_200000210301_100009814244 [1,1,0,0,0,0|1,0,1]=4 1369 B6R0.8 C=CC(F)(F)S[13CH3] 62a_100009814244_200025704644 [1,1,0,0,0,0|1,0,1]=4 1370 B6R0.8 C=CC(F)(F)S[13CH3] 62a_200025704644_100009814244 [1,1,0,0,0,0|1,0,1]=4 1371 B6R0.8 CC(C)(C#N)S[13CH3] 62a_100011162410_200025704644 [1,1,0,0,0,0|1,0,1]=4 1372 B6R0.8 CC(C)(C#N)S[13CH3] 62a_200025704644_100011162410 [1,1,0,0,0,0|1,0,1]=4 1373 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [1,1,0,0,0,0|1,0,1]=4 1374 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [1,1,0,0,0,0|1,0,1]=4 1375 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [1,1,0,0,0,0|1,0,1]=4 1376 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [1,1,0,0,0,0|0,1,1]=4 1377 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [1,1,0,0,0,0|0,1,1]=4 1378 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [1,1,0,0,0,0|0,0,1]=3 1379 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [1,1,0,0,0,0|0,0,1]=3 1380 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [1,1,0,0,0,0|0,0,1]=3 1381 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [1,1,0,0,0,0|0,0,1]=3 1382 B6R0.8 CSC(C)(C)C#N 62a_100011162410_200000210301 [1,1,0,0,0,0|1,0,1]=4 1383 B6R0.8 CSC(C)(C)C#N 62a_200000210301_100011162410 [1,1,0,0,0,0|1,0,1]=4 1384 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,1,0,0,0,0|0,1,1]=4 1385 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,1,0,0,0,0|0,1,1]=4 1386 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,1,0,0,0,0|0,1,1]=4 1387 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,1,0,0,0,0|0,1,1]=4 1388 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [1,1,0,0,0,0|1,0,1]=4 1389 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [1,1,0,0,0,0|1,0,1]=4 1390 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [1,1,0,0,0,0|1,0,1]=4 1391 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [1,1,0,0,0,0|1,0,1]=4 1392 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [1,1,0,0,0,0|1,0,1]=4 1393 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [1,1,0,0,0,0|1,0,1]=4 1394 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [1,1,0,0,0,0|1,0,1]=4 1395 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [1,1,0,0,0,0|1,0,1]=4 1396 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,1,0,0,0,0|0,1,1]=4 1397 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,1,0,0,0,0|0,1,1]=4 1398 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [1,1,0,0,0,0|0,0,1]=3 1399 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [1,1,0,0,0,0|0,0,1]=3 1400 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [1,1,0,0,0,0|0,0,1]=3 1401 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [1,1,0,0,0,0|0,0,1]=3 1402 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [1,1,0,0,0,0|1,0,1]=4 1403 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [1,1,0,0,0,0|1,0,1]=4 1404 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [1,1,0,0,0,0|1,0,1]=4 1405 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [1,1,0,0,0,0|1,0,1]=4 1406 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [1,1,0,0,0,0|0,1,1]=4 1407 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [1,1,0,0,0,0|0,0,1]=3 1408 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [1,1,0,0,0,0|0,0,1]=3 1409 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [1,1,0,0,0,0|0,0,1]=3 1410 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [1,1,0,0,0,0|0,0,1]=3 1411 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [1,1,0,0,0,0|0,0,0]=2 1412 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [1,1,0,0,0,0|0,0,0]=2 1413 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [1,1,0,0,0,0|0,0,0]=2 1414 B6R0.7 CC(=O)C(F)(F)F 1458a_100000070787_200000243211 [1,1,0,0,0,0|2,0,0]=4 1415 B6R0.7 CC(=O)C(F)(F)F 1458a_100015355933_200000210301 [1,1,0,0,0,0|2,0,0]=4 1416 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [1,1,0,0,0,0|0,0,0]=2 1417 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [1,1,0,0,0,0|0,0,0]=2 1418 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [1,1,0,0,0,0|0,0,0]=2 1419 B6R0.7 CN(C)C(C)(C)C 269982a_100011215553_200000210301 [1,1,0,0,0,0|2,0,0]=4 1420 B6R0.7 CN(C)C(C)(C)C 269982a_100102631434_100000210625 [1,1,0,0,0,0|2,0,0]=4 1421 B6R0.7 CN(C)S(=O)(=O)C 40a_100102631434_100000738038 [1,1,0,0,0,0|2,0,0]=4 1422 B6R0.7 CN([13CH3])C(C)(C)C 269982a_100011215553_200025704644 [1,1,0,0,0,0|2,0,0]=4 1423 B6R0.7 [13CH3]C(=O)C(F)(F)F 1458a_100015355933_200025704644 [1,1,0,0,0,0|2,0,0]=4 1424 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,1,0,0,0,1|2,0,0]=4 1425 B8R0.2 CC(=O)N(C)C(C)C#N 11a_100000745055_100015343762 [0,1,0,0,0,1|2,0,0]=4 1426 B8R0.2 CC(=O)N(C)C(C)C#N 1626a_100000745055_100015343762 [0,1,0,0,0,1|2,0,0]=4 1427 B8R0.2 CC(=O)N(C)C(C)C#N 527a_100000745055_100103153847 [0,1,0,0,0,1|2,0,0]=4 1428 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,1,0,0,0,1|2,0,0]=4 1429 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,1,0,0,0,1|2,0,0]=4 1430 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_100009893295_200025704644 [0,1,0,0,0,1|1,0,1]=4 1431 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_200025704644_100009893295 [0,1,0,0,0,1|1,0,1]=4 1432 B8R0.2 CC(S[13CH3])C(=O)N(C)C 62a_100000209910_200025704644 [0,1,0,0,0,1|2,0,0]=4 1433 B8R0.2 CC(S[13CH3])C(=O)N(C)C 62a_200025704644_100000209910 [0,1,0,0,0,1|2,0,0]=4 1434 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,1,0,0,0,1|1,0,0]=3 1435 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,1,0,0,0,1|1,0,0]=3 1436 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,1,0,0,0,1|1,0,0]=3 1437 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,1,0,0,0,1|1,0,0]=3 1438 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,1,0,0,0,1|2,0,0]=4 1439 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,1,0,0,0,1|2,0,0]=4 1440 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,1,0,0,0,1|2,0,0]=4 1441 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,1,0,0,0,1|2,0,0]=4 1442 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,1,0,0,0,1|1,1,0]=4 1443 B8R0.2 CSC(C)C(=O)C(C)C 1458a_100000149566_100000210206 [0,1,0,0,0,1|1,0,1]=4 1444 B8R0.2 CSC(C)C(=O)C(C)C 62a_100009893295_200000210301 [0,1,0,0,0,1|1,0,1]=4 1445 B8R0.2 CSC(C)C(=O)C(C)C 62a_200000210301_100009893295 [0,1,0,0,0,1|1,0,1]=4 1446 B8R0.2 CSC(C)C(=O)N(C)C 11a_100102631434_100000149566 [0,1,0,0,0,1|2,0,0]=4 1447 B8R0.2 CSC(C)C(=O)N(C)C 1626a_100102631434_100000149566 [0,1,0,0,0,1|2,0,0]=4 1448 B8R0.2 CSC(C)C(=O)N(C)C 240690a_100102631434_100000149566 [0,1,0,0,0,1|2,0,0]=4 1449 B8R0.2 CSC(C)C(=O)N(C)C 527a_100102631434_100000149566 [0,1,0,0,0,1|2,0,0]=4 1450 B8R0.2 CSC(C)C(=O)N(C)C 62a_100000209910_200000210301 [0,1,0,0,0,1|2,0,0]=4 1451 B8R0.2 CSC(C)C(=O)N(C)C 62a_200000210301_100000209910 [0,1,0,0,0,1|2,0,0]=4 1452 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,1,0,0,0,1|1,1,0]=4 1453 B8R0.5 C=C(C)CN(C)CSC 2230a_100000225649_100011218213 [0,1,0,0,0,1|2,0,0]=4 1454 B8R0.5 C=C(C)CN(C)CSC 269982a_100000225649_100011218213 [0,1,0,0,0,1|2,0,0]=4 1455 B8R0.5 CC(=CC(C)OCF)C 34a_100000717055_100015361967 [0,1,0,0,0,1|1,1,0]=4 1456 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,1,0,0,0,1|1,0,1]=4 1457 B8R0.5 CC(=O)N[C@@H](C)CC#N 11a_100016994482_100015343762 [0,1,0,0,0,1|1,0,1]=4 1458 B8R0.5 CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100015343762 [0,1,0,0,0,1|1,0,1]=4 1459 B8R0.5 CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100015343762 [0,1,0,0,0,1|1,0,1]=4 1460 B8R0.5 CC(=O)N[C@@H](C)CC#N 527a_100016994482_100103153847 [0,1,0,0,0,1|1,0,1]=4 1461 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,1,0,0,0,1|1,0,0]=3 1462 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,1,0,0,0,1|1,0,0]=3 1463 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,1,0,0,0,1|0,0,0]=2 1464 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,1,0,0,0,1|0,0,0]=2 1465 B8R0.5 CC(C)CC(C)SCF 62a_100000731052_100015361967 [0,1,0,0,0,1|1,0,1]=4 1466 B8R0.5 CC(C)CC(C)SCF 62a_100015361967_100000731052 [0,1,0,0,0,1|1,0,1]=4 1467 B8R0.5 CC(CN(C)C)SCF 62a_100015361967_100020606517 [0,1,0,0,0,1|2,0,0]=4 1468 B8R0.5 CC(CN(C)C)SCF 62a_100020606517_100015361967 [0,1,0,0,0,1|2,0,0]=4 1469 B8R0.5 CC(CS[13CH3])CN(C)C 62a_100015348159_200025704644 [0,1,0,0,0,1|2,0,0]=4 1470 B8R0.5 CC(CS[13CH3])CN(C)C 62a_200025704644_100015348159 [0,1,0,0,0,1|2,0,0]=4 1471 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,1,0,0,0,1|1,0,1]=4 1472 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,1,0,0,0,1|1,0,1]=4 1473 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,1,0,0,0,1|1,0,0]=3 1474 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,1,0,0,0,1|1,0,0]=3 1475 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,1,0,0,0,1|1,0,0]=3 1476 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,1,0,0,0,1|1,0,0]=3 1477 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,1,0,0,0,1|1,0,0]=3 1478 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,1,0,0,0,1|1,0,0]=3 1479 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,1,0,0,0,1|1,0,0]=3 1480 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,1,0,0,0,1|1,1,0]=4 1481 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,1,0,0,0,1|0,0,0]=2 1482 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,1,0,0,0,1|0,0,0]=2 1483 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,1,0,0,0,1|1,0,1]=4 1484 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,1,0,0,0,1|1,0,1]=4 1485 B8R0.5 CCSC(C)CN(C)C 62a_100000210202_100020606517 [0,1,0,0,0,1|2,0,0]=4 1486 B8R0.5 CCSC(C)CN(C)C 62a_100020606517_100000210202 [0,1,0,0,0,1|2,0,0]=4 1487 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,1,0,0,0,1|0,0,0]=2 1488 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,1,0,0,0,1|0,0,0]=2 1489 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,1,0,0,0,1|0,1,0]=3 1490 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,1,0,0,0,1|0,1,0]=3 1491 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,1,0,0,0,1|0,1,0]=3 1492 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,1,0,0,0,1|0,1,0]=3 1493 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,1,0,0,0,1|1,0,1]=4 1494 B8R0.5 CSCC(C)CN(C)C 62a_100015348159_200000210301 [0,1,0,0,0,1|2,0,0]=4 1495 B8R0.5 CSCC(C)CN(C)C 62a_200000210301_100015348159 [0,1,0,0,0,1|2,0,0]=4 1496 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [0,1,0,0,0,1|2,0,0]=4 1497 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,1,0,0,0,1|2,0,0]=4 1498 B8R0.16 C=C[C@@H](CO)NC(=O)C 240690a_100016989147_100015343762 [0,1,0,0,0,1|1,0,1]=4 1499 B8R0.16 C=C[C@@H](CO)NC(=O)C 527a_100016989147_100103153847 [0,1,0,0,0,1|1,0,1]=4 1500 B8R0.16 CC(=O)NC(CO)CO 240690a_100000759517_100015343762 [0,1,0,0,0,1|2,0,0]=4 1501 B8R0.16 CC(=O)NC(CO)CO 527a_100000759517_100103153847 [0,1,0,0,0,1|2,0,0]=4 1502 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,1,0,0,0,1|1,0,0]=3 1503 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,1,0,0,0,1|1,0,0]=3 1504 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,1,0,0,0,1|1,0,0]=3 1505 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,1,0,0,0,1|1,0,0]=3 1506 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,1,0,0,0,1|1,0,0]=3 1507 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [0,1,0,0,0,1|2,0,0]=4 1508 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [0,1,0,0,0,1|2,0,0]=4 1509 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [0,1,0,0,0,1|1,0,0]=3 1510 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [0,1,0,0,0,1|1,0,0]=3 1511 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,1,0,0,0,1|2,0,0]=4 1512 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,1,0,0,0,1|2,0,0]=4 1513 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,1,0,0,0,1|2,0,0]=4 1514 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,1,0,0,0,1|0,1,0]=3 1515 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,1,0,0,0,1|0,1,0]=3 1516 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,1,0,0,0,1|0,1,0]=3 1517 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,1,0,0,0,1|2,0,0]=4 1518 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,1,0,0,0,1|1,0,1]=4 1519 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,1,0,0,0,1|1,0,1]=4 1520 B8R0.19 C#CC(C)NC(=O)CC 11a_100000707721_100000210414 [0,1,0,0,0,1|1,0,1]=4 1521 B8R0.19 C#CC(C)NC(=O)CC 1626a_100000707721_100000210414 [0,1,0,0,0,1|1,0,1]=4 1522 B8R0.19 C#CC(C)NC(=O)CC 240690a_100000707721_100000210414 [0,1,0,0,0,1|1,0,1]=4 1523 B8R0.19 C#CC(C)NC(=O)CC 527a_100000707721_100000210414 [0,1,0,0,0,1|1,0,1]=4 1524 B8R0.19 C#CC(C)NC(=O)CO 240690a_100000707721_100000210174 [0,1,0,0,0,1|1,0,1]=4 1525 B8R0.19 C#CC(C)NC(=O)CO 527a_100000707721_100000210174 [0,1,0,0,0,1|1,0,1]=4 1526 B8R0.19 C#CC(C)NC(=O)NC 2708a_100000707721_106832991635 [0,1,0,0,0,1|1,0,1]=4 1527 B8R0.19 C#CC(C)NC(=O)NC 2708a_100102657272_100000707721 [0,1,0,0,0,1|1,0,1]=4 1528 B8R0.19 C#CC(C)NC(=O)NC 273464a_100000707721_100102657272 [0,1,0,0,0,1|1,0,1]=4 1529 B8R0.19 C#CC(C)NC(=O)NC 273464a_100102657272_100000707721 [0,1,0,0,0,1|1,0,1]=4 1530 B8R0.19 C#CC(C)NC(=O)NC 512a_100000707721_100102657272 [0,1,0,0,0,1|1,0,1]=4 1531 B8R0.19 C#CC(C)NC(=O)NC 512a_106832991638_100000707721 [0,1,0,0,0,1|1,0,1]=4 1532 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,1,0,0,0,1|1,0,1]=4 1533 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,1,0,0,0,1|1,0,1]=4 1534 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,1,0,0,0,1|1,0,1]=4 1535 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,1,0,0,0,1|1,0,1]=4 1536 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,1,0,0,0,1|1,0,1]=4 1537 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [0,1,0,0,0,1|1,0,1]=4 1538 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,1,0,0,0,1|1,0,1]=4 1539 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,1,0,0,0,1|1,0,1]=4 1540 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,1,0,0,0,1|1,0,1]=4 1541 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,1,0,0,0,1|1,0,1]=4 1542 B8R0.19 CC(C#N)NC(=O)CO 527a_100000737613_100000210174 [0,1,0,0,0,1|2,0,0]=4 1543 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [0,1,0,0,0,1|1,0,1]=4 1544 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,1,0,0,0,1|1,0,1]=4 1545 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,1,0,0,0,1|1,0,1]=4 1546 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,1,0,0,0,1|1,0,1]=4 1547 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,1,0,0,0,1|1,0,1]=4 1548 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,0,0,0,1|1,0,0]=3 1549 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,0,0,0,1|1,0,0]=3 1550 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,0,0,0,1|2,0,0]=4 1551 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,0,0,0,1|2,0,0]=4 1552 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,1,0,0,0,1|2,0,0]=4 1553 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,1,0,0,0,1|2,0,0]=4 1554 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,0,0,0,1|1,0,0]=3 1555 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,0,0,0,1|2,0,0]=4 1556 B8R0.19 CCC(=O)NC(C)C#N 11a_100000737613_100000210414 [0,1,0,0,0,1|2,0,0]=4 1557 B8R0.19 CCC(=O)NC(C)C#N 1626a_100000737613_100000210414 [0,1,0,0,0,1|2,0,0]=4 1558 B8R0.19 CCC(=O)NC(C)C#N 527a_100000737613_100000210414 [0,1,0,0,0,1|2,0,0]=4 1559 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,1,0,0,0,1|1,0,0]=3 1560 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,1,0,0,0,1|1,0,0]=3 1561 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,1,0,0,0,1|1,0,0]=3 1562 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,1,0,0,0,1|1,0,0]=3 1563 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,1,0,0,0,1|2,0,0]=4 1564 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,1,0,0,0,1|2,0,0]=4 1565 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,1,0,0,0,1|2,0,0]=4 1566 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,1,0,0,0,1|2,0,0]=4 1567 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,0,0,0,1|2,0,0]=4 1568 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,0,0,0,1|2,0,0]=4 1569 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,1,0,0,0,1|1,0,0]=3 1570 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,0,0,0,1|1,0,0]=3 1571 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,1,0,0,0,1|1,0,0]=3 1572 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,1,0,0,0,1|1,0,0]=3 1573 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,1,0,0,0,1|1,0,0]=3 1574 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,1,0,0,0,1|1,0,0]=3 1575 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,0,0,0,1|1,0,0]=3 1576 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,0,0,0,1|1,0,0]=3 1577 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,1,0,0,0,1|1,0,0]=3 1578 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,1,0,0,0,1|1,0,0]=3 1579 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,1,0,0,0,1|1,0,0]=3 1580 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,1,0,0,0,1|1,0,0]=3 1581 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,1,0,0,0,1|1,0,0]=3 1582 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,1,0,0,0,1|1,0,0]=3 1583 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,1,0,0,0,1|2,0,0]=4 1584 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,0,0,0,1|2,0,0]=4 1585 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,1,0,0,0,1|2,0,0]=4 1586 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,1,0,0,0,1|2,0,0]=4 1587 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,1,0,0,0,1|2,0,0]=4 1588 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,1,0,0,0,1|2,0,0]=4 1589 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,1,0,0,0,1|2,0,0]=4 1590 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,1,0,0,0,1|2,0,0]=4 1591 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,1,0,0,0,1|2,0,0]=4 1592 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,1,0,0,0,1|2,0,0]=4 1593 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,0,0,0,1|2,0,0]=4 1594 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,0,0,0,1|2,0,0]=4 1595 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,0,0,0,1|2,0,0]=4 1596 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,0,0,0,1|1,0,0]=3 1597 B8R0.19 CNC(=O)NC(C)C#N 2708a_100000737613_106832991635 [0,1,0,0,0,1|2,0,0]=4 1598 B8R0.19 CNC(=O)NC(C)C#N 2708a_100102657272_100000737613 [0,1,0,0,0,1|2,0,0]=4 1599 B8R0.19 CNC(=O)NC(C)C#N 273464a_100000737613_100102657272 [0,1,0,0,0,1|2,0,0]=4 1600 B8R0.19 CNC(=O)NC(C)C#N 273464a_100102657272_100000737613 [0,1,0,0,0,1|2,0,0]=4 1601 B8R0.19 CNC(=O)NC(C)C#N 512a_100000737613_100102657272 [0,1,0,0,0,1|2,0,0]=4 1602 B8R0.19 CNC(=O)NC(C)C#N 512a_106832991638_100000737613 [0,1,0,0,0,1|2,0,0]=4 1603 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,1,0,0,0,1|2,0,0]=4 1604 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,1,0,0,0,1|2,0,0]=4 1605 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,1,0,0,0,1|2,0,0]=4 1606 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,1,0,0,0,1|2,0,0]=4 1607 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,1,0,0,0,1|2,0,0]=4 1608 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,1,0,0,0,1|2,0,0]=4 1609 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,1,0,0,0,1|2,0,0]=4 1610 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,1,0,0,0,1|2,0,0]=4 1611 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,1,0,0,0,1|2,0,0]=4 1612 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,1,0,0,0,1|1,0,0]=3 1613 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,1,0,0,0,1|1,0,0]=3 1614 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,1,0,0,0,1|1,0,0]=3 1615 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,1,0,0,0,1|0,1,0]=3 1616 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,1,0,0,0,1|0,0,0]=2 1617 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,1,0,0,0,1|0,0,0]=2 1618 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,1,0,0,0,1|0,0,0]=2 1619 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,1,0,0,0,1|0,0,0]=2 1620 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,1,0,0,0,1|2,0,0]=4 1621 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,1,0,0,0,1|2,0,0]=4 1622 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,1,0,0,0,1|2,0,0]=4 1623 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,1,0,0,0,1|2,0,0]=4 1624 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,1,0,0,0,1|2,0,0]=4 1625 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,0,0,0,1|1,0,0]=3 1626 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,1,0,0,0,1|2,0,0]=4 1627 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,0,0,0,1|2,0,0]=4 1628 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,1,0,0,0,1|2,0,0]=4 1629 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,1,0,0,0,1|1,0,0]=3 1630 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,1,0,0,0,1|1,0,0]=3 1631 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,1,0,0,0,1|1,0,0]=3 1632 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,1,0,0,0,1|1,0,0]=3 1633 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,1,0,0,0,1|1,0,0]=3 1634 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [0,1,0,0,0,1|2,0,0]=4 1635 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [0,1,0,0,0,1|2,0,0]=4 1636 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [0,1,0,0,0,1|2,0,0]=4 1637 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,1,0,0,0,1|1,0,0]=3 1638 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,0,0,0,1|1,0,0]=3 1639 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,1,0,0,0,1|1,0,0]=3 1640 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,0,0,0,1|1,0,0]=3 1641 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,0,0,0,1|1,0,0]=3 1642 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,0,0,0,1|2,0,0]=4 1643 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,0,0,0,1|1,0,0]=3 1644 B8R0.24 CCC(C)NS(=O)(=O)C 40a_100000209981_100000738038 [0,1,0,0,0,1|2,0,0]=4 1645 B8R0.34 C#CC(C)(C)NC(=O)C 11a_100000054563_100015343762 [0,1,0,0,0,1|1,0,1]=4 1646 B8R0.34 C#CC(C)(C)NC(=O)C 1626a_100000054563_100015343762 [0,1,0,0,0,1|1,0,1]=4 1647 B8R0.34 C#CC(C)(C)NC(=O)C 240690a_100000054563_100015343762 [0,1,0,0,0,1|1,0,1]=4 1648 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,1,0,0,0,1|0,1,0]=3 1649 B8R0.34 CC(=O)NC(C)(C)C#N 11a_100000761509_100015343762 [0,1,0,0,0,1|2,0,0]=4 1650 B8R0.34 CC(=O)NC(C)(C)C#N 1626a_100000761509_100015343762 [0,1,0,0,0,1|2,0,0]=4 1651 B8R0.34 CC(=O)NC(C)(C)C#N 527a_100000761509_100103153847 [0,1,0,0,0,1|2,0,0]=4 1652 B8R0.34 CC(=O)NC(C)(C)CO 240690a_100000210608_100015343762 [0,1,0,0,0,1|2,0,0]=4 1653 B8R0.34 CC(=O)NC(C)(C)CO 527a_100020618417_100103153847 [0,1,0,0,0,1|2,0,0]=4 1654 B8R0.34 CC(C)(CC(=O)N)N[13CH3] 2230a_100000763158_200025704644 [0,1,0,0,0,1|2,0,0]=4 1655 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,1,0,0,0,1|2,0,0]=4 1656 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,1,0,0,0,1|1,0,0]=3 1657 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,1,0,0,0,1|1,0,0]=3 1658 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [0,1,0,0,0,1|1,0,0]=3 1659 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [0,1,0,0,0,1|1,0,0]=3 1660 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [0,1,0,0,0,1|1,0,0]=3 1661 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [0,1,0,0,0,1|1,0,0]=3 1662 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,1,0,0,0,1|1,0,0]=3 1663 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,1,0,0,0,1|1,0,0]=3 1664 B8R0.34 CNC(C)(C)CC(=O)N 2230a_100000763158_200000210301 [0,1,0,0,0,1|2,0,0]=4 1665 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,1,0,0,0,1|2,0,0]=4 1666 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,1,0,0,0,1|0,1,0]=3 1667 B8R0.34 CSC(C)(C)CN(C)C 270004a_100102631434_100009845794 [0,1,0,0,0,1|2,0,0]=4 1668 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,2,0,0,0,0|1,0,1]=4 1669 B8R0.3 C#CC(=O)C(C)CCO 1458a_100000211873_100009893172 [0,2,0,0,0,0|1,0,1]=4 1670 B8R0.3 C#CC(=O)C(C)COC 1458a_100000211873_100000765312 [0,2,0,0,0,0|0,1,1]=4 1671 B8R0.3 C#CC(C)C(=O)C#CC 1458a_100000763181_200000035995 [0,2,0,0,0,0|1,0,1]=4 1672 B8R0.3 C#CC(C)C(=O)C=CC 1458a_100000210699_200000035995 [0,2,0,0,0,0|1,0,1]=4 1673 B8R0.3 C#CC(C)C(=O)CC#N 1458a_100051588842_200000035995 [0,2,0,0,0,0|1,0,1]=4 1674 B8R0.3 C#CC(C)C(=O)CC=C 1458a_100000210193_200000035995 [0,2,0,0,0,0|1,0,1]=4 1675 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,2,0,0,0,0|1,0,1]=4 1676 B8R0.3 C#CC(C)C(=O)CCO 1458a_100011216618_200000035995 [0,2,0,0,0,0|1,0,1]=4 1677 B8R0.3 C#CC(C)C(=O)COC 1458a_100000210968_200000035995 [0,2,0,0,0,0|1,0,1]=4 1678 B8R0.3 C#CC(C)C(=O)CSC 1458a_100000184570_200000035995 [0,2,0,0,0,0|1,0,1]=4 1679 B8R0.3 C#CCC(=O)/C(=C/C)/C 1458a_100020587367_100000184674 [0,2,0,0,0,0|1,0,1]=4 1680 B8R0.3 C#CCC(=O)C(C)C#C 1458a_100011220946_200000035995 [0,2,0,0,0,0|1,0,1]=4 1681 B8R0.3 C#CCC(=O)C(C)C#N 1458a_100000753662_100000184674 [0,2,0,0,0,0|2,0,0]=4 1682 B8R0.3 C#CCC(=O)C(C)C#N 1458a_100011220946_100000703298 [0,2,0,0,0,0|2,0,0]=4 1683 B8R0.3 C#CCC(=O)C(C)C=C 1458a_100011216780_100000184674 [0,2,0,0,0,0|1,0,1]=4 1684 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011192722_100000184674 [0,2,0,0,0,0|1,0,0]=3 1685 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011220946_100000758301 [0,2,0,0,0,0|1,0,0]=3 1686 B8R0.3 C#CCC(=O)C(C)OC 1458a_100000743197_100000184674 [0,2,0,0,0,0|0,1,0]=3 1687 B8R0.3 C#CCC(=O)C(C)SC 1458a_100000149566_100000184674 [0,2,0,0,0,0|0,0,0]=2 1688 B8R0.3 C#CCC(=O)C(O)CC 1458a_100011196387_100000184674 [0,2,0,0,0,0|2,0,0]=4 1689 B8R0.3 C#CCC(=O)N(C)CC 1626a_100000225621_100011220946 [0,2,0,0,0,0|2,0,0]=4 1690 B8R0.3 C#CCC(=O)N(C)CC 527a_100000225621_100011220946 [0,2,0,0,0,0|2,0,0]=4 1691 B8R0.3 C/C=C(\C)/C(=O)CC#N 1458a_100020587367_100011214920 [0,2,0,0,0,0|1,0,1]=4 1692 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,2,0,0,0,0|1,0,1]=4 1693 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,2,0,0,0,0|1,0,1]=4 1694 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,2,0,0,0,0|1,0,1]=4 1695 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,2,0,0,0,0|1,0,1]=4 1696 B8R0.3 C/C=C(\C)/C(=O)NNC 22a_100016993582_100020587367 [0,2,0,0,0,0|1,0,1]=4 1697 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [0,2,0,0,0,0|2,0,0]=4 1698 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,2,0,0,0,0|0,0,2]=4 1699 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,2,0,0,0,0|0,0,2]=4 1700 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,2,0,0,0,0|0,0,2]=4 1701 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,2,0,0,0,0|0,0,2]=4 1702 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,2,0,0,0,0|1,0,1]=4 1703 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [0,2,0,0,0,0|1,0,1]=4 1704 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [0,2,0,0,0,0|0,1,1]=4 1705 B8R0.3 C=CC(C)C(=O)CC#N 1458a_100011216780_100011214920 [0,2,0,0,0,0|1,0,1]=4 1706 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,2,0,0,0,0|1,0,1]=4 1707 B8R0.3 C=CC(C)C(=O)CCF 1458a_100011216780_100011217306 [0,2,0,0,0,0|1,0,1]=4 1708 B8R0.3 C=CC(C)C(=O)CCO 1458a_100011216780_100000211926 [0,2,0,0,0,0|1,0,1]=4 1709 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,2,0,0,0,0|1,0,1]=4 1710 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,2,0,0,0,0|1,0,1]=4 1711 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,2,0,0,0,0|1,0,1]=4 1712 B8R0.3 C=CC(C)C(=O)NNC 22a_100016993582_100011216780 [0,2,0,0,0,0|1,0,1]=4 1713 B8R0.3 C=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000210623 [0,2,0,0,0,0|1,0,1]=4 1714 B8R0.3 C=CCC(=O)C(C)C#N 1458a_100000210193_100000703298 [0,2,0,0,0,0|2,0,0]=4 1715 B8R0.3 C=CCC(=O)C(C)C#N 1458a_100000753662_100000210623 [0,2,0,0,0,0|2,0,0]=4 1716 B8R0.3 C=CCC(=O)C(C)C=C 1458a_100011216780_100000210623 [0,2,0,0,0,0|1,0,1]=4 1717 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,2,0,0,0,0|1,0,0]=3 1718 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,2,0,0,0,0|1,0,0]=3 1719 B8R0.3 C=CCC(=O)C(C)OC 1458a_100000743197_100000210623 [0,2,0,0,0,0|0,1,0]=3 1720 B8R0.3 C=CCC(=O)C(C)SC 1458a_100000149566_100000210623 [0,2,0,0,0,0|0,0,0]=2 1721 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,2,0,0,0,0|2,0,0]=4 1722 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [0,2,0,0,0,0|2,0,0]=4 1723 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [0,2,0,0,0,0|2,0,0]=4 1724 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [0,2,0,0,0,0|2,0,0]=4 1725 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [0,2,0,0,0,0|2,0,0]=4 1726 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,2,0,0,0,0|1,0,1]=4 1727 B8R0.3 C=CCC(C)C(=O)CF 1458a_100011216819_100015361967 [0,2,0,0,0,0|1,0,1]=4 1728 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [0,2,0,0,0,0|1,0,1]=4 1729 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [0,2,0,0,0,0|1,0,1]=4 1730 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [0,2,0,0,0,0|1,0,1]=4 1731 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [0,2,0,0,0,0|1,0,1]=4 1732 B8R0.3 CC#CC(=O)C(C)C#N 1458a_100000763181_100000703298 [0,2,0,0,0,0|2,0,0]=4 1733 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [0,2,0,0,0,0|1,0,0]=3 1734 B8R0.3 CC(C#N)C(=O)CC#N 1458a_100000753662_100011214920 [0,2,0,0,0,0|2,0,0]=4 1735 B8R0.3 CC(C#N)C(=O)CC#N 1458a_100051588842_100000703298 [0,2,0,0,0,0|2,0,0]=4 1736 B8R0.3 CC(C#N)C(=O)CCF 1458a_100000753662_100011217306 [0,2,0,0,0,0|2,0,0]=4 1737 B8R0.3 CC(C#N)C(=O)CCO 1458a_100000753662_100000211926 [0,2,0,0,0,0|2,0,0]=4 1738 B8R0.3 CC(C#N)C(=O)CCO 1458a_100011216618_100000703298 [0,2,0,0,0,0|2,0,0]=4 1739 B8R0.3 CC(CC#N)C(=O)CO 1458a_100000210174_100009813641 [0,2,0,0,0,0|1,0,1]=4 1740 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,2,0,0,0,0|1,0,0]=3 1741 B8R0.3 CC(OCF)C(=O)NN 34a_100000725659_100015361967 [0,2,0,0,0,0|1,1,0]=4 1742 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,2,0,0,0,0|1,0,1]=4 1743 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,2,0,0,0,0|1,0,1]=4 1744 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,2,0,0,0,0|1,0,1]=4 1745 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 1746 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 1747 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 1748 B8R0.3 CC=CC(=O)C(C)C#N 1458a_100000210699_100000703298 [0,2,0,0,0,0|2,0,0]=4 1749 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,2,0,0,0,0|1,0,0]=3 1750 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 1751 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 1752 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 1753 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,2,0,0,0,0|0,1,1]=4 1754 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [0,2,0,0,0,0|1,0,1]=4 1755 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,2,0,0,0,0|1,0,0]=3 1756 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,2,0,0,0,0|0,1,0]=3 1757 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,2,0,0,0,0|0,1,0]=3 1758 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,2,0,0,0,0|0,0,0]=2 1759 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,2,0,0,0,0|0,0,0]=2 1760 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,2,0,0,0,0|0,0,0]=2 1761 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,2,0,0,0,0|2,0,0]=4 1762 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,2,0,0,0,0|2,0,0]=4 1763 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [0,2,0,0,0,0|1,0,1]=4 1764 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [0,2,0,0,0,0|1,0,1]=4 1765 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [0,2,0,0,0,0|1,0,1]=4 1766 B8R0.3 CCC(C)C(=O)CC#N 1458a_100011192722_100011214920 [0,2,0,0,0,0|1,0,0]=3 1767 B8R0.3 CCC(C)C(=O)CC#N 1458a_100051588842_100000758301 [0,2,0,0,0,0|1,0,0]=3 1768 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,2,0,0,0,0|1,0,0]=3 1769 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,2,0,0,0,0|1,0,0]=3 1770 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,2,0,0,0,0|1,0,0]=3 1771 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,2,0,0,0,0|1,0,0]=3 1772 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,2,0,0,0,0|1,0,0]=3 1773 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [0,2,0,0,0,0|1,0,0]=3 1774 B8R0.3 CCC(C)N(C)CC=O 2230a_100000741768_200015260668 [0,2,0,0,0,0|2,0,0]=4 1775 B8R0.3 CCC(C)N(C)CC=O 269982a_100000741768_200015260668 [0,2,0,0,0,0|2,0,0]=4 1776 B8R0.3 CCC(O)C(=O)CC#N 1458a_100011196387_100011214920 [0,2,0,0,0,0|2,0,0]=4 1777 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,2,0,0,0,0|2,0,0]=4 1778 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,2,0,0,0,0|2,0,0]=4 1779 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,2,0,0,0,0|2,0,0]=4 1780 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,2,0,0,0,0|2,0,0]=4 1781 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,2,0,0,0,0|2,0,0]=4 1782 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,2,0,0,0,0|1,0,0]=3 1783 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,2,0,0,0,0|1,0,0]=3 1784 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,2,0,0,0,0|0,1,0]=3 1785 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,2,0,0,0,0|0,0,0]=2 1786 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,2,0,0,0,0|2,0,0]=4 1787 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,2,0,0,0,0|2,0,0]=4 1788 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,2,0,0,0,0|2,0,0]=4 1789 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,2,0,0,0,0|2,0,0]=4 1790 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,2,0,0,0,0|2,0,0]=4 1791 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,2,0,0,0,0|1,0,0]=3 1792 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,2,0,0,0,0|1,0,0]=3 1793 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,2,0,0,0,0|1,0,0]=3 1794 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,2,0,0,0,0|1,0,0]=3 1795 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,2,0,0,0,0|1,0,0]=3 1796 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 1797 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 1798 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 1799 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 1800 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 1801 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 1802 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 1803 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,2,0,0,0,0|2,0,0]=4 1804 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,2,0,0,0,0|2,0,0]=4 1805 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,2,0,0,0,0|2,0,0]=4 1806 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,2,0,0,0,0|2,0,0]=4 1807 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,2,0,0,0,0|2,0,0]=4 1808 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,2,0,0,0,0|2,0,0]=4 1809 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,2,0,0,0,0|2,0,0]=4 1810 B8R0.3 CCN(C)C(=O)CC#N 1626a_100000225621_100051588842 [0,2,0,0,0,0|2,0,0]=4 1811 B8R0.3 CCN(C)C(=O)CC#N 240690a_100000225621_100051588842 [0,2,0,0,0,0|2,0,0]=4 1812 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,2,0,0,0,0|2,0,0]=4 1813 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,2,0,0,0,0|2,0,0]=4 1814 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,2,0,0,0,0|2,0,0]=4 1815 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,2,0,0,0,0|2,0,0]=4 1816 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,2,0,0,0,0|2,0,0]=4 1817 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,2,0,0,0,0|2,0,0]=4 1818 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,2,0,0,0,0|2,0,0]=4 1819 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,2,0,0,0,0|2,0,0]=4 1820 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,2,0,0,0,0|2,0,0]=4 1821 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,2,0,0,0,0|2,0,0]=4 1822 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,2,0,0,0,0|2,0,0]=4 1823 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,2,0,0,0,0|2,0,0]=4 1824 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,2,0,0,0,0|2,0,0]=4 1825 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,2,0,0,0,0|2,0,0]=4 1826 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,2,0,0,0,0|2,0,0]=4 1827 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,2,0,0,0,0|2,0,0]=4 1828 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,2,0,0,0,0|2,0,0]=4 1829 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [0,2,0,0,0,0|2,0,0]=4 1830 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [0,2,0,0,0,0|2,0,0]=4 1831 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [0,2,0,0,0,0|2,0,0]=4 1832 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 1833 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 1834 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 1835 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,2,0,0,0,0|1,0,0]=3 1836 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,2,0,0,0,0|1,0,0]=3 1837 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,2,0,0,0,0|1,0,0]=3 1838 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,2,0,0,0,0|1,0,0]=3 1839 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,2,0,0,0,0|1,0,0]=3 1840 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,2,0,0,0,0|1,0,0]=3 1841 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,2,0,0,0,0|1,0,0]=3 1842 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,2,0,0,0,0|0,1,0]=3 1843 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,2,0,0,0,0|0,1,0]=3 1844 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,2,0,0,0,0|0,1,0]=3 1845 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,2,0,0,0,0|0,1,0]=3 1846 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,2,0,0,0,0|0,0,0]=2 1847 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,2,0,0,0,0|0,0,0]=2 1848 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,2,0,0,0,0|0,0,0]=2 1849 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,2,0,0,0,0|0,0,0]=2 1850 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,2,0,0,0,0|0,0,0]=2 1851 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,2,0,0,0,0|0,0,0]=2 1852 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,2,0,0,0,0|0,0,0]=2 1853 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,2,0,0,0,0|2,0,0]=4 1854 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,2,0,0,0,0|2,0,0]=4 1855 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,2,0,0,0,0|2,0,0]=4 1856 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,2,0,0,0,0|1,0,0]=3 1857 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,2,0,0,0,0|1,0,0]=3 1858 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,2,0,0,0,0|1,0,0]=3 1859 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,2,0,0,0,0|2,0,0]=4 1860 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,2,0,0,0,0|1,0,0]=3 1861 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,2,0,0,0,0|1,0,0]=3 1862 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,2,0,0,0,0|1,0,0]=3 1863 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,2,0,0,0,0|1,0,0]=3 1864 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,2,0,0,0,0|1,0,0]=3 1865 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,2,0,0,0,0|0,1,0]=3 1866 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,2,0,0,0,0|0,0,0]=2 1867 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,2,0,0,0,0|0,0,0]=2 1868 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,2,0,0,0,0|0,0,0]=2 1869 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,2,0,0,0,0|0,0,0]=2 1870 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,2,0,0,0,0|2,0,0]=4 1871 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,2,0,0,0,0|2,0,0]=4 1872 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,2,0,0,0,0|2,0,0]=4 1873 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,2,0,0,0,0|1,1,0]=4 1874 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,2,0,0,0,0|1,0,0]=3 1875 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,2,0,0,0,0|1,0,0]=3 1876 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,2,0,0,0,0|1,0,0]=3 1877 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,2,0,0,0,0|1,0,0]=3 1878 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,2,0,0,0,0|0,1,0]=3 1879 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,2,0,0,0,0|0,1,0]=3 1880 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,2,0,0,0,0|0,1,0]=3 1881 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,2,0,0,0,0|0,1,0]=3 1882 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,2,0,0,0,0|0,1,0]=3 1883 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,2,0,0,0,0|0,1,0]=3 1884 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,2,0,0,0,0|0,1,0]=3 1885 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,2,0,0,0,0|0,1,0]=3 1886 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,2,0,0,0,0|0,1,0]=3 1887 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,2,0,0,0,0|1,1,0]=4 1888 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,2,0,0,0,0|0,1,0]=3 1889 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,2,0,0,0,0|0,1,0]=3 1890 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,2,0,0,0,0|1,1,0]=4 1891 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,2,0,0,0,0|1,0,0]=3 1892 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,2,0,0,0,0|1,0,0]=3 1893 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,2,0,0,0,0|0,0,0]=2 1894 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,2,0,0,0,0|0,0,0]=2 1895 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,2,0,0,0,0|0,0,0]=2 1896 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,2,0,0,0,0|0,0,0]=2 1897 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,2,0,0,0,0|0,0,0]=2 1898 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,2,0,0,0,0|0,0,0]=2 1899 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,2,0,0,0,0|0,0,0]=2 1900 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,2,0,0,0,0|0,0,0]=2 1901 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,2,0,0,0,0|0,0,0]=2 1902 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,2,0,0,0,0|0,0,0]=2 1903 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,2,0,0,0,0|0,0,0]=2 1904 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,2,0,0,0,0|0,0,0]=2 1905 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,2,0,0,0,0|1,0,0]=3 1906 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,2,0,0,0,0|1,0,0]=3 1907 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,2,0,0,0,0|2,0,0]=4 1908 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,2,0,0,0,0|2,0,0]=4 1909 B8R0.3 CNC(=O)/C(=N/OC)/C 11a_106832991635_100160996864 [0,2,0,0,0,0|0,1,1]=4 1910 B8R0.3 CNC(=O)/C(=N/OC)/C 240690a_100102657272_100160996864 [0,2,0,0,0,0|0,1,1]=4 1911 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,2,0,0,0,0|1,0,0]=3 1912 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,2,0,0,0,0|1,0,0]=3 1913 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,2,0,0,0,0|0,1,0]=3 1914 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,2,0,0,0,0|0,1,0]=3 1915 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,2,0,0,0,0|0,1,0]=3 1916 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,2,0,0,0,0|0,1,0]=3 1917 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,2,0,0,0,0|0,0,0]=2 1918 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,2,0,0,0,0|0,0,0]=2 1919 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,2,0,0,0,0|0,0,0]=2 1920 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,2,0,0,0,0|0,0,0]=2 1921 B8R0.3 CNC(=O)C(C)SCF 62a_100000209862_100015361967 [0,2,0,0,0,0|0,0,0]=2 1922 B8R0.3 CNC(=O)C(C)SCF 62a_100015361967_100000731044 [0,2,0,0,0,0|0,0,0]=2 1923 B8R0.3 CNC(=O)C(F)SCF 62a_100009813575_100015361967 [0,2,0,0,0,0|1,0,0]=3 1924 B8R0.3 CNC(=O)C(F)SCF 62a_100015361967_100009813575 [0,2,0,0,0,0|1,0,0]=3 1925 B8R0.3 CNC(=O)N(C)CCO 2708a_100102657272_100000210263 [0,2,0,0,0,0|2,0,0]=4 1926 B8R0.3 CNC(=O)N(C)CCO 273464a_100102657272_100000210263 [0,2,0,0,0,0|2,0,0]=4 1927 B8R0.3 CNC(=O)[C@@H](C)NCF 34a_100000684985_100015361967 [0,2,0,0,0,0|1,0,0]=3 1928 B8R0.3 CNCC(=O)N(C)OC 2230a_100015207273_200000210301 [0,2,0,0,0,0|1,1,0]=4 1929 B8R0.3 CNCC(=O)N(C)OC 2230a_106832991635_100000764215 [0,2,0,0,0,0|1,1,0]=4 1930 B8R0.3 CNCC(=O)N(C)OC 7a_106832991635_100000764215 [0,2,0,0,0,0|1,1,0]=4 1931 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,2,0,0,0,0|1,0,0]=3 1932 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,2,0,0,0,0|1,0,0]=3 1933 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,2,0,0,0,0|1,0,0]=3 1934 B8R0.3 CNNC(=O)C(C)C#N 22a_100016993582_100000753662 [0,2,0,0,0,0|2,0,0]=4 1935 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [0,2,0,0,0,0|0,1,0]=3 1936 B8R0.3 CNNC(=O)C(C)SC 22a_100016993582_100000149566 [0,2,0,0,0,0|0,0,0]=2 1937 B8R0.3 CO/N=C(\C)/C(=O)CF 1458a_100160996864_100015361967 [0,2,0,0,0,0|0,1,1]=4 1938 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,2,0,0,0,0|1,0,1]=4 1939 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,2,0,0,0,0|1,0,1]=4 1940 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,2,0,0,0,0|1,0,1]=4 1941 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,2,0,0,0,0|1,0,1]=4 1942 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,2,0,0,0,0|0,1,0]=3 1943 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,2,0,0,0,0|0,1,0]=3 1944 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,2,0,0,0,0|0,0,0]=2 1945 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,2,0,0,0,0|0,0,0]=2 1946 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,2,0,0,0,0|0,0,0]=2 1947 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,2,0,0,0,0|0,0,0]=2 1948 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,2,0,0,0,0|0,1,0]=3 1949 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,2,0,0,0,0|0,0,0]=2 1950 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,2,0,0,0,0|0,0,0]=2 1951 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,2,0,0,0,0|1,1,0]=4 1952 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|1,1,0]=4 1953 B8R0.3 COC(C)C(=O)CC#N 1458a_100000743197_100011214920 [0,2,0,0,0,0|0,1,0]=3 1954 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,2,0,0,0,0|0,1,0]=3 1955 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,2,0,0,0,0|0,1,0]=3 1956 B8R0.3 COCC(=O)C(C)C#N 1458a_100000210968_100000703298 [0,2,0,0,0,0|2,0,0]=4 1957 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,2,0,0,0,0|0,1,0]=3 1958 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,2,0,0,0,0|0,1,0]=3 1959 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,2,0,0,0,0|0,1,0]=3 1960 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,2,0,0,0,0|0,1,0]=3 1961 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,2,0,0,0,0|0,1,0]=3 1962 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,2,0,0,0,0|1,1,0]=4 1963 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|1,1,0]=4 1964 B8R0.3 CON(C)C(=O)CN[13CH3] 2230a_100015207273_200025704644 [0,2,0,0,0,0|1,1,0]=4 1965 B8R0.3 CON(C)C(=O)CSC 62a_100000764215_200000210301 [0,2,0,0,0,0|1,1,0]=4 1966 B8R0.3 CON(C)C(=O)CSC 62a_200000210301_100000764215 [0,2,0,0,0,0|1,1,0]=4 1967 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_100000764215_200025704644 [0,2,0,0,0,0|1,1,0]=4 1968 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_200025704644_100000764215 [0,2,0,0,0,0|1,1,0]=4 1969 B8R0.3 CSC(C)C(=O)CC#N 1458a_100000149566_100011214920 [0,2,0,0,0,0|0,0,0]=2 1970 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [0,2,0,0,0,0|0,0,0]=2 1971 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,2,0,0,0,0|0,0,0]=2 1972 B8R0.3 CSCC(=O)C(C)C#N 1458a_100000184570_100000703298 [0,2,0,0,0,0|2,0,0]=4 1973 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,2,0,0,0,0|0,0,0]=2 1974 B8R0.8 C#CCNC(C)C(=O)N 34a_100000212058_100000702099 [0,2,0,0,0,0|2,0,0]=4 1975 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,2,0,0,0,0|2,0,0]=4 1976 B8R0.8 C#CCN[C@H](C)C(=O)N 2230a_100000119354_100000038162 [0,2,0,0,0,0|2,0,0]=4 1977 B8R0.8 C#CCN[C@H](C)C(=O)N 34a_100000119354_100000184674 [0,2,0,0,0,0|2,0,0]=4 1978 B8R0.8 C#CCOC(C)C(=O)C 34a_100000212229_100000184674 [0,2,0,0,0,0|0,1,0]=3 1979 B8R0.8 C#CCOC(C)C(=O)N 34a_100000210247_100000702099 [0,2,0,0,0,0|1,1,0]=4 1980 B8R0.8 C#CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000038162 [0,2,0,0,0,0|1,1,0]=4 1981 B8R0.8 C#CCO[C@H](C)C(=O)N 34a_100000731257_100000184674 [0,2,0,0,0,0|1,1,0]=4 1982 B8R0.8 C#CCO[C@H](C)C(=O)N 7a_100000731257_100000038162 [0,2,0,0,0,0|1,1,0]=4 1983 B8R0.8 C#CCSC(C)C(=O)C 62a_100000038162_100009814033 [0,2,0,0,0,0|0,0,0]=2 1984 B8R0.8 C#CCSC(C)C(=O)N 62a_100000038162_100000702099 [0,2,0,0,0,0|1,0,0]=3 1985 B8R0.8 C#CCSC(F)C(=O)N 62a_100000038162_100009813875 [0,2,0,0,0,0|2,0,0]=4 1986 B8R0.8 C#CCSC(F)C(=O)[O-] 62a_100000038162_100020610796 [0,2,0,0,0,0|2,0,0]=4 1987 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,2,0,0,0,0|2,0,0]=4 1988 B8R0.8 C=C(C)C(C)NCCF 269862a_100000724931_100011216138 [0,2,0,0,0,0|2,0,0]=4 1989 B8R0.8 C=C(C)C(C)NCCO 269862a_100000210304_100011216138 [0,2,0,0,0,0|2,0,0]=4 1990 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [0,2,0,0,0,0|2,0,0]=4 1991 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [0,2,0,0,0,0|2,0,0]=4 1992 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [0,2,0,0,0,0|2,0,0]=4 1993 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [0,2,0,0,0,0|2,0,0]=4 1994 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [0,2,0,0,0,0|1,0,0]=3 1995 B8R0.8 C=CCNC(C)C(=O)N 2230a_100020586998_100000702099 [0,2,0,0,0,0|2,0,0]=4 1996 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,2,0,0,0,0|2,0,0]=4 1997 B8R0.8 C=CCN[C@H](C)C(=O)N 2230a_100000119354_100000210623 [0,2,0,0,0,0|2,0,0]=4 1998 B8R0.8 C=CCN[C@H](C)C(=O)N 34a_100000119354_100015514636 [0,2,0,0,0,0|2,0,0]=4 1999 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [0,2,0,0,0,0|0,1,0]=3 2000 B8R0.8 C=CCOC(C)C(=O)N 34a_200000210373_100000702099 [0,2,0,0,0,0|1,1,0]=4 2001 B8R0.8 C=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100015514636 [0,2,0,0,0,0|1,1,0]=4 2002 B8R0.8 C=CCO[C@H](C)C(=O)N 34a_100000731257_100015514636 [0,2,0,0,0,0|1,1,0]=4 2003 B8R0.8 C=CCO[C@H](C)C(=O)N 7a_100000731257_100015514636 [0,2,0,0,0,0|1,1,0]=4 2004 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [0,2,0,0,0,0|0,0,0]=2 2005 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [0,2,0,0,0,0|0,0,0]=2 2006 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [0,2,0,0,0,0|0,0,0]=2 2007 B8R0.8 C=CCSC(C)C(=O)N 62a_100000210623_100000702099 [0,2,0,0,0,0|1,0,0]=3 2008 B8R0.8 C=CCSC(C)C(=O)N 62a_100000702099_100000210623 [0,2,0,0,0,0|1,0,0]=3 2009 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [0,2,0,0,0,0|0,0,0]=2 2010 B8R0.8 C=CCSC(F)C(=O)N 62a_100000210623_100009813875 [0,2,0,0,0,0|2,0,0]=4 2011 B8R0.8 C=CCSC(F)C(=O)N 62a_100009813875_100000210623 [0,2,0,0,0,0|2,0,0]=4 2012 B8R0.8 C=CCSC(F)C(=O)[O-] 62a_100000210623_100020610796 [0,2,0,0,0,0|2,0,0]=4 2013 B8R0.8 C=CCSC(F)C(=O)[O-] 62a_100020610796_100000210623 [0,2,0,0,0,0|2,0,0]=4 2014 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [0,2,0,0,0,0|1,0,1]=4 2015 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [0,2,0,0,0,0|1,0,1]=4 2016 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,2,0,0,0,0|0,1,0]=3 2017 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,2,0,0,0,0|0,1,0]=3 2018 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,2,0,0,0,0|1,0,0]=3 2019 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,2,0,0,0,0|0,1,0]=3 2020 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,2,0,0,0,0|0,1,0]=3 2021 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,2,0,0,0,0|0,1,0]=3 2022 B8R0.8 CC(=O)C(C)SCC#N 62a_100009814033_100011215382 [0,2,0,0,0,0|0,0,0]=2 2023 B8R0.8 CC(=O)C(C)SCC#N 62a_100011215382_100009814033 [0,2,0,0,0,0|0,0,0]=2 2024 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [0,2,0,0,0,0|0,0,0]=2 2025 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [0,2,0,0,0,0|0,0,0]=2 2026 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,2,0,0,0,0|0,0,0]=2 2027 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,2,0,0,0,0|0,0,0]=2 2028 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,2,0,0,0,0|0,0,0]=2 2029 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,2,0,0,0,0|0,0,0]=2 2030 B8R0.8 CC(=O)N(C)CCC#N 11a_100000184479_100015343762 [0,2,0,0,0,0|2,0,0]=4 2031 B8R0.8 CC(=O)N(C)CCC#N 1626a_100000184479_100015343762 [0,2,0,0,0,0|2,0,0]=4 2032 B8R0.8 CC(=O)N(C)CCC#N 240690a_100000184479_100015343762 [0,2,0,0,0,0|2,0,0]=4 2033 B8R0.8 CC(=O)N(C)CCC#N 527a_100000184479_100103153847 [0,2,0,0,0,0|2,0,0]=4 2034 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,2,0,0,0,0|2,0,0]=4 2035 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,2,0,0,0,0|2,0,0]=4 2036 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,2,0,0,0,0|2,0,0]=4 2037 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,2,0,0,0,0|2,0,0]=4 2038 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,2,0,0,0,0|2,0,0]=4 2039 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,2,0,0,0,0|2,0,0]=4 2040 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,2,0,0,0,0|1,1,0]=4 2041 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,2,0,0,0,0|1,1,0]=4 2042 B8R0.8 CC(SCC#N)C(=O)N 62a_100000702099_100011215382 [0,2,0,0,0,0|1,0,0]=3 2043 B8R0.8 CC(SCC#N)C(=O)N 62a_100011215382_100000702099 [0,2,0,0,0,0|1,0,0]=3 2044 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [0,2,0,0,0,0|1,0,0]=3 2045 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [0,2,0,0,0,0|1,0,0]=3 2046 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,2,0,0,0,0|1,0,0]=3 2047 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,2,0,0,0,0|1,0,0]=3 2048 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,2,0,0,0,0|1,0,0]=3 2049 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,2,0,0,0,0|1,0,0]=3 2050 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,2,0,0,0,0|1,0,1]=4 2051 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,2,0,0,0,0|1,0,1]=4 2052 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,2,0,0,0,0|1,0,0]=3 2053 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,2,0,0,0,0|1,0,0]=3 2054 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,2,0,0,0,0|1,0,0]=3 2055 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,2,0,0,0,0|2,0,0]=4 2056 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,2,0,0,0,0|2,0,0]=4 2057 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,2,0,0,0,0|2,0,0]=4 2058 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,2,0,0,0,0|2,0,0]=4 2059 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,2,0,0,0,0|2,0,0]=4 2060 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,2,0,0,0,0|2,0,0]=4 2061 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,2,0,0,0,0|2,0,0]=4 2062 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,2,0,0,0,0|2,0,0]=4 2063 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,2,0,0,0,0|2,0,0]=4 2064 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,2,0,0,0,0|0,1,0]=3 2065 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,2,0,0,0,0|1,1,0]=4 2066 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,2,0,0,0,0|1,1,0]=4 2067 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,2,0,0,0,0|1,1,0]=4 2068 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,2,0,0,0,0|1,1,0]=4 2069 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,2,0,0,0,0|0,0,0]=2 2070 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,2,0,0,0,0|0,0,0]=2 2071 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,2,0,0,0,0|1,0,0]=3 2072 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,2,0,0,0,0|1,0,0]=3 2073 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,2,0,0,0,0|2,0,0]=4 2074 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,2,0,0,0,0|2,0,0]=4 2075 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,2,0,0,0,0|2,0,0]=4 2076 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,2,0,0,0,0|2,0,0]=4 2077 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,2,0,0,0,0|2,0,0]=4 2078 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,2,0,0,0,0|0,1,0]=3 2079 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,2,0,0,0,0|0,1,0]=3 2080 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,2,0,0,0,0|1,0,1]=4 2081 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,2,0,0,0,0|1,0,1]=4 2082 B8R0.8 CCSCC(C)N(C)C 270004a_100102631434_200011216171 [0,2,0,0,0,0|2,0,0]=4 2083 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,2,0,0,0,0|1,1,0]=4 2084 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,2,0,0,0,0|1,1,0]=4 2085 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,2,0,0,0,0|1,1,0]=4 2086 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,2,0,0,0,0|1,1,0]=4 2087 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,2,0,0,0,0|1,1,0]=4 2088 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [0,2,0,0,0,0|1,1,0]=4 2089 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,2,0,0,0,0|0,0,0]=2 2090 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,2,0,0,0,0|0,0,0]=2 2091 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [0,2,0,0,0,0|1,0,0]=3 2092 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [0,2,0,0,0,0|1,0,0]=3 2093 B8R0.8 COCSC(F)C(=O)N 62a_100000766300_100009813875 [0,2,0,0,0,0|2,0,0]=4 2094 B8R0.8 COCSC(F)C(=O)N 62a_100009813875_100000766300 [0,2,0,0,0,0|2,0,0]=4 2095 B8R0.8 COCSC(F)C(=O)[O-] 62a_100000766300_100020610796 [0,2,0,0,0,0|2,0,0]=4 2096 B8R0.8 COCSC(F)C(=O)[O-] 62a_100020610796_100000766300 [0,2,0,0,0,0|2,0,0]=4 2097 B8R0.8 CSCCC(C)N(C)C 270004a_100102631434_100011217047 [0,2,0,0,0,0|2,0,0]=4 2098 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,2,0,0,0,0|1,0,0]=3 2099 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,2,0,0,0,0|1,0,0]=3 2100 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,2,0,0,0,0|1,0,0]=3 2101 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,2,0,0,0,0|1,0,0]=3 2102 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,2,0,0,0,0|1,0,0]=3 2103 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,2,0,0,0,0|1,0,0]=3 2104 B8R0.8 CSCNC(C)C(C)C 2230a_100000211541_100011218213 [0,2,0,0,0,0|1,0,1]=4 2105 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,2,0,0,0,0|1,0,0]=3 2106 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,2,0,0,0,0|1,0,0]=3 2107 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,2,0,0,0,0|1,0,0]=3 2108 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,2,0,0,0,0|0,0,0]=2 2109 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,2,0,0,0,0|1,0,0]=3 2110 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,2,0,0,0,0|0,0,0]=2 2111 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,2,0,0,0,0|0,0,0]=2 2112 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,2,0,0,0,0|1,0,0]=3 2113 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,2,0,0,0,0|1,0,0]=3 2114 B8R0.8 CSCSC(F)C(=O)N 62a_100009813875_100011218213 [0,2,0,0,0,0|2,0,0]=4 2115 B8R0.8 CSCSC(F)C(=O)N 62a_100011218213_100009813875 [0,2,0,0,0,0|2,0,0]=4 2116 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100011218213_100020610796 [0,2,0,0,0,0|2,0,0]=4 2117 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100020610796_100011218213 [0,2,0,0,0,0|2,0,0]=4 2118 B8R0.8 C[C@@H](NCC#N)C(=O)N 2230a_100000119354_100011215382 [0,2,0,0,0,0|2,0,0]=4 2119 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [0,2,0,0,0,0|2,0,0]=4 2120 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [0,2,0,0,0,0|2,0,0]=4 2121 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,2,0,0,0,0|2,0,0]=4 2122 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,2,0,0,0,0|2,0,0]=4 2123 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,2,0,0,0,0|2,0,0]=4 2124 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,2,0,0,0,0|2,0,0]=4 2125 B8R0.8 C[C@@H](OCC#N)C(=O)N 7a_100000731257_100011215382 [0,2,0,0,0,0|1,1,0]=4 2126 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [0,2,0,0,0,0|1,1,0]=4 2127 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [0,2,0,0,0,0|1,1,0]=4 2128 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,2,0,0,0,0|1,1,0]=4 2129 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,2,0,0,0,0|1,1,0]=4 2130 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,2,0,0,0,0|1,1,0]=4 2131 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,2,0,0,0,0|1,1,0]=4 2132 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,2,0,0,0,0|2,0,0]=4 2133 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,2,0,0,0,0|2,0,0]=4 2134 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,2,0,0,0,0|2,0,0]=4 2135 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,2,0,0,0,0|2,0,0]=4 2136 B8R0.8 C[C@H](OCC#N)C(=O)[O-] 7a_217856618621_100011215382 [0,2,0,0,0,0|1,1,0]=4 2137 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [0,2,0,0,0,0|1,1,0]=4 2138 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,2,0,0,0,0|1,1,0]=4 2139 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,2,0,0,0,0|1,1,0]=4 2140 B8R0.8 N#CCSC(F)C(=O)N 62a_100009813875_100011215382 [0,2,0,0,0,0|2,0,0]=4 2141 B8R0.8 N#CCSC(F)C(=O)N 62a_100011215382_100009813875 [0,2,0,0,0,0|2,0,0]=4 2142 B8R0.8 N#CCSC(F)C(=O)[O-] 62a_100011215382_100020610796 [0,2,0,0,0,0|2,0,0]=4 2143 B8R0.8 N#CCSC(F)C(=O)[O-] 62a_100020610796_100011215382 [0,2,0,0,0,0|2,0,0]=4 2144 B8R0.8 NC(=O)C(F)SCC=O 62a_100009813875_200015260668 [0,2,0,0,0,0|2,0,0]=4 2145 B8R0.8 NC(=O)C(F)SCC=O 62a_200015260668_100009813875 [0,2,0,0,0,0|2,0,0]=4 2146 B8R0.8 NC(=O)C(F)SCCF 62a_100009813875_100011217306 [0,2,0,0,0,0|2,0,0]=4 2147 B8R0.8 NC(=O)C(F)SCCF 62a_100011217306_100009813875 [0,2,0,0,0,0|2,0,0]=4 2148 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [0,2,0,0,0,0|2,0,0]=4 2149 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [0,2,0,0,0,0|2,0,0]=4 2150 B8R0.8 O=C([O-])C(F)SCCF 62a_100011217306_100020610796 [0,2,0,0,0,0|2,0,0]=4 2151 B8R0.8 O=C([O-])C(F)SCCF 62a_100020610796_100011217306 [0,2,0,0,0,0|2,0,0]=4 2152 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [0,2,0,0,0,0|2,0,0]=4 2153 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [0,2,0,0,0,0|2,0,0]=4 2154 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_100020610796_200015260668 [0,2,0,0,0,0|2,0,0]=4 2155 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_200015260668_100020610796 [0,2,0,0,0,0|2,0,0]=4 2156 B8R0.12 C=CCC(C)(C)C(=O)C 1458a_100000705796_200000210301 [0,2,0,0,0,0|1,0,1]=4 2157 B8R0.12 C=CCC(C)(C)C(=O)[13CH3] 1458a_100000705796_200025704644 [0,2,0,0,0,0|1,0,1]=4 2158 B8R0.12 CC(=O)C(C)(C)OCF 34a_100000747739_100015361967 [0,2,0,0,0,0|0,1,0]=3 2159 B8R0.12 CC(=O)C(C)(C)OCF 7a_100000747739_100015361967 [0,2,0,0,0,0|0,1,0]=3 2160 B8R0.12 CC(=O)C(C)(C)SCF 62a_100000075568_100015361967 [0,2,0,0,0,0|0,0,0]=2 2161 B8R0.12 CC(=O)C(C)(C)SCF 62a_100015361967_100000075568 [0,2,0,0,0,0|0,0,0]=2 2162 B8R0.12 CC(C)(CN[13CH3])C(=O)N 2230a_100000740840_200025704644 [0,2,0,0,0,0|2,0,0]=4 2163 B8R0.12 CC(C)(CN[13CH3])C(=O)N 34a_100000740840_200025704644 [0,2,0,0,0,0|2,0,0]=4 2164 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,2,0,0,0,0|2,0,0]=4 2165 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200009895572_200025704644 [0,2,0,0,0,0|1,0,0]=3 2166 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200025704644_200009895572 [0,2,0,0,0,0|1,0,0]=3 2167 B8R0.12 CC(C)(NCF)C(=O)N 34a_100000743658_100015361967 [0,2,0,0,0,0|2,0,0]=4 2168 B8R0.12 CC(C)(OCF)C(=O)N 34a_100011626353_100015361967 [0,2,0,0,0,0|1,1,0]=4 2169 B8R0.12 CC(C)(OCF)C(=O)N 7a_100011626353_100015361967 [0,2,0,0,0,0|1,1,0]=4 2170 B8R0.12 CC(C)(ON[13CH3])C(=O)O 269956a_100016989451_200025704644 [0,2,0,0,0,0|1,1,0]=4 2171 B8R0.12 CC(C)(SCF)C(=O)N 62a_100000702505_100015361967 [0,2,0,0,0,0|1,0,0]=3 2172 B8R0.12 CC(C)(SCF)C(=O)N 62a_100015361967_100000702505 [0,2,0,0,0,0|1,0,0]=3 2173 B8R0.12 CC(C)(SCF)[N+](=O)[O-] 62a_100015361967_200009813997 [0,2,0,0,0,0|2,0,0]=4 2174 B8R0.12 CC(C)(SCF)[N+](=O)[O-] 62a_200009813997_100015361967 [0,2,0,0,0,0|2,0,0]=4 2175 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,2,0,0,0,0|1,0,0]=3 2176 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,2,0,0,0,0|1,0,0]=3 2177 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [0,2,0,0,0,0|2,0,0]=4 2178 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [0,2,0,0,0,0|2,0,0]=4 2179 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [0,2,0,0,0,0|2,0,0]=4 2180 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,2,0,0,0,0|0,1,0]=3 2181 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,2,0,0,0,0|0,1,0]=3 2182 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,2,0,0,0,0|0,1,0]=3 2183 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,2,0,0,0,0|1,1,0]=4 2184 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,2,0,0,0,0|1,1,0]=4 2185 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,2,0,0,0,0|1,1,0]=4 2186 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,2,0,0,0,0|0,1,0]=3 2187 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,2,0,0,0,0|0,0,0]=2 2188 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,2,0,0,0,0|0,0,0]=2 2189 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000210202_100000702505 [0,2,0,0,0,0|1,0,0]=3 2190 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000702505_100000210202 [0,2,0,0,0,0|1,0,0]=3 2191 B8R0.12 CCSC(C)(C)N(C)C 62a_100000210202_217856628674 [0,2,0,0,0,0|2,0,0]=4 2192 B8R0.12 CCSC(C)(C)N(C)C 62a_217856628674_100000210202 [0,2,0,0,0,0|2,0,0]=4 2193 B8R0.12 CCSC(C)(C)[N+](=O)[O-] 62a_100000210202_200009813997 [0,2,0,0,0,0|2,0,0]=4 2194 B8R0.12 CCSC(C)(C)[N+](=O)[O-] 62a_200009813997_100000210202 [0,2,0,0,0,0|2,0,0]=4 2195 B8R0.12 CCSC(F)(F)C(=O)N 62a_100000210202_100009811971 [0,2,0,0,0,0|2,0,0]=4 2196 B8R0.12 CCSC(F)(F)C(=O)N 62a_100009811971_100000210202 [0,2,0,0,0,0|2,0,0]=4 2197 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000210202_100000745680 [0,2,0,0,0,0|2,0,0]=4 2198 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210202 [0,2,0,0,0,0|2,0,0]=4 2199 B8R0.12 CN(C)C(C)(C)SCF 62a_100015361967_217856628674 [0,2,0,0,0,0|2,0,0]=4 2200 B8R0.12 CN(C)C(C)(C)SCF 62a_217856628674_100015361967 [0,2,0,0,0,0|2,0,0]=4 2201 B8R0.12 CNCC(C)(C)C(=O)N 2230a_100000740840_200000210301 [0,2,0,0,0,0|2,0,0]=4 2202 B8R0.12 CNCC(C)(C)C(=O)N 34a_100000740840_200000210301 [0,2,0,0,0,0|2,0,0]=4 2203 B8R0.12 CNCC(C)(C)C(=O)N 34a_100102657272_200009895572 [0,2,0,0,0,0|2,0,0]=4 2204 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,2,0,0,0,0|2,0,0]=4 2205 B8R0.12 CNOC(C)(C)C(=O)O 269956a_100016989451_200000210301 [0,2,0,0,0,0|1,1,0]=4 2206 B8R0.12 COCC(C)(C)C(=O)N 34a_100138415774_200009895572 [0,2,0,0,0,0|1,1,0]=4 2207 B8R0.12 CSCC(C)(C)C(=O)N 62a_200000210301_200009895572 [0,2,0,0,0,0|1,0,0]=3 2208 B8R0.12 CSCC(C)(C)C(=O)N 62a_200009895572_200000210301 [0,2,0,0,0,0|1,0,0]=3 2209 B8R0.12 NC(=O)C(F)(F)SCF 62a_100009811971_100015361967 [0,2,0,0,0,0|2,0,0]=4 2210 B8R0.12 NC(=O)C(F)(F)SCF 62a_100015361967_100009811971 [0,2,0,0,0,0|2,0,0]=4 2211 B8R0.12 O=C([O-])C(F)(F)SCF 62a_100000745680_100015361967 [0,2,0,0,0,0|2,0,0]=4 2212 B8R0.12 O=C([O-])C(F)(F)SCF 62a_100015361967_100000745680 [0,2,0,0,0,0|2,0,0]=4 2213 B8R0.15 C#CCN(CC)C(=O)C 11a_100000744766_100015343762 [0,2,0,0,0,0|2,0,0]=4 2214 B8R0.15 C#CCN(CC)C(=O)C 1626a_100000744766_100015343762 [0,2,0,0,0,0|2,0,0]=4 2215 B8R0.15 C#CCN(CC)C(=O)C 240690a_100000744766_100015343762 [0,2,0,0,0,0|2,0,0]=4 2216 B8R0.15 C#CCN(CC)C(=O)C 527a_100000744766_100103153847 [0,2,0,0,0,0|2,0,0]=4 2217 B8R0.15 CCC(NCF)C(=O)N 34a_100000733705_100015361967 [0,2,0,0,0,0|2,0,0]=4 2218 B8R0.15 CCC(SCF)C(=O)N 62a_100000750255_100015361967 [0,2,0,0,0,0|1,0,0]=3 2219 B8R0.15 CCC(SCF)C(=O)N 62a_100015361967_100000750255 [0,2,0,0,0,0|1,0,0]=3 2220 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,2,0,0,0,0|1,0,0]=3 2221 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,2,0,0,0,0|1,0,0]=3 2222 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,2,0,0,0,0|1,0,0]=3 2223 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,2,0,0,0,0|1,1,0]=4 2224 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,2,0,0,0,0|1,1,0]=4 2225 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,2,0,0,0,0|1,1,0]=4 2226 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,2,0,0,0,0|1,1,0]=4 2227 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 2228 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 2229 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 2230 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,2,0,0,0,0|2,0,0]=4 2231 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,2,0,0,0,0|2,0,0]=4 2232 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,2,0,0,0,0|2,0,0]=4 2233 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,2,0,0,0,0|2,0,0]=4 2234 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,2,0,0,0,0|2,0,0]=4 2235 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,2,0,0,0,0|2,0,0]=4 2236 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,2,0,0,0,0|2,0,0]=4 2237 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [0,2,0,0,0,0|2,0,0]=4 2238 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [0,2,0,0,0,0|2,0,0]=4 2239 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,2,0,0,0,0|2,0,0]=4 2240 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,2,0,0,0,0|2,0,0]=4 2241 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,2,0,0,0,0|2,0,0]=4 2242 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,2,0,0,0,0|2,0,0]=4 2243 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [0,2,0,0,0,0|2,0,0]=4 2244 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [0,2,0,0,0,0|2,0,0]=4 2245 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,2,0,0,0,0|2,0,0]=4 2246 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,2,0,0,0,0|1,1,0]=4 2247 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,2,0,0,0,0|1,0,0]=3 2248 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,2,0,0,0,0|1,0,0]=3 2249 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,2,0,0,0,0|2,0,0]=4 2250 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,2,0,0,0,0|1,0,0]=3 2251 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,2,0,0,0,0|1,1,0]=4 2252 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,2,0,0,0,0|1,1,0]=4 2253 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,2,0,0,0,0|1,1,0]=4 2254 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,2,0,0,0,0|1,0,0]=3 2255 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,2,0,0,0,0|1,1,0]=4 2256 B8R0.15 NC(=O)[C@H](CO)NCF 34a_100000729942_100015361967 [0,2,0,0,0,0|2,0,0]=4 2257 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,2,0,0,0,0|2,0,0]=4 2258 B8R0.13 C#CC(C)(C)C(=O)CC 1458a_100000079900_100000210202 [0,2,0,0,0,0|1,0,1]=4 2259 B8R0.13 C#CC(C)(C)C(=O)CC 1458a_100000210414_100000038118 [0,2,0,0,0,0|1,0,1]=4 2260 B8R0.13 C#CC(C)(C)C(=O)CF 1458a_100000079900_100015361967 [0,2,0,0,0,0|1,0,1]=4 2261 B8R0.13 C#CC(C)(C)C(=O)CO 1458a_100000210174_100000038118 [0,2,0,0,0,0|1,0,1]=4 2262 B8R0.13 C#CC(C)(C)C(=O)NC 11a_106832991635_100000079900 [0,2,0,0,0,0|1,0,1]=4 2263 B8R0.13 C#CC(C)(C)C(=O)NC 1626a_100102657272_100000079900 [0,2,0,0,0,0|1,0,1]=4 2264 B8R0.13 C#CC(C)(C)C(=O)NC 240690a_100102657272_100000079900 [0,2,0,0,0,0|1,0,1]=4 2265 B8R0.13 C#CC(C)(C)C(=O)NC 527a_100102657272_100000079900 [0,2,0,0,0,0|1,0,1]=4 2266 B8R0.13 C=CC(C)(C)C(=O)CC 1458a_100012027013_100000210202 [0,2,0,0,0,0|1,0,1]=4 2267 B8R0.13 C=CC(C)(C)C(=O)CF 1458a_100012027013_100015361967 [0,2,0,0,0,0|1,0,1]=4 2268 B8R0.13 C=CC(C)(C)C(=O)NC 11a_106832991635_100012027013 [0,2,0,0,0,0|1,0,1]=4 2269 B8R0.13 C=CC(C)(C)C(=O)NC 1626a_100102657272_100012027013 [0,2,0,0,0,0|1,0,1]=4 2270 B8R0.13 C=CC(C)(C)C(=O)NC 240690a_100102657272_100012027013 [0,2,0,0,0,0|1,0,1]=4 2271 B8R0.13 C=CC(C)(C)C(=O)NC 527a_100102657272_100012027013 [0,2,0,0,0,0|1,0,1]=4 2272 B8R0.13 CC(C)(C#N)C(=O)CF 1458a_100000740761_100015361967 [0,2,0,0,0,0|2,0,0]=4 2273 B8R0.13 CC(C)(CF)C(=O)CF 1458a_100000138116_100015361967 [0,2,0,0,0,0|2,0,0]=4 2274 B8R0.13 CC(C)(CO)C(=O)CF 1458a_100000749806_100015361967 [0,2,0,0,0,0|2,0,0]=4 2275 B8R0.13 CC(C)(O[13CH3])C(=O)NN 34a_100000061348_200025704644 [0,2,0,0,0,0|1,1,0]=4 2276 B8R0.13 CCC(=O)C(C)(C)C#N 1458a_100000740761_100000210202 [0,2,0,0,0,0|2,0,0]=4 2277 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [0,2,0,0,0,0|1,0,0]=3 2278 B8R0.13 CCC(=O)C(C)(C)CF 1458a_100000138116_100000210202 [0,2,0,0,0,0|2,0,0]=4 2279 B8R0.13 CCC(=O)C(C)(C)CO 1458a_100000749806_100000210202 [0,2,0,0,0,0|2,0,0]=4 2280 B8R0.13 CCC(=O)C(C)(C)OC 1458a_100000753492_100000210202 [0,2,0,0,0,0|0,1,0]=3 2281 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [0,2,0,0,0,0|1,0,0]=3 2282 B8R0.13 CCC(=O)C(F)(F)CC 1458a_100000061896_100000210202 [0,2,0,0,0,0|2,0,0]=4 2283 B8R0.13 CCC(C)(C)C(=O)CF 1458a_100000749717_100015361967 [0,2,0,0,0,0|1,0,0]=3 2284 B8R0.13 CCC(C)(C)C(=O)NC 11a_106832991635_100000749717 [0,2,0,0,0,0|1,0,0]=3 2285 B8R0.13 CCC(C)(C)C(=O)NC 1626a_100102657272_100000749717 [0,2,0,0,0,0|1,0,0]=3 2286 B8R0.13 CCC(C)(C)C(=O)NC 240690a_100102657272_100000749717 [0,2,0,0,0,0|1,0,0]=3 2287 B8R0.13 CCC(C)(C)C(=O)NC 527a_100102657272_100000749717 [0,2,0,0,0,0|1,0,0]=3 2288 B8R0.13 CCC(C)(O)C(=O)CF 1458a_100011219770_100015361967 [0,2,0,0,0,0|1,0,0]=3 2289 B8R0.13 CCC(C)(O)C(=O)NC 240690a_100102657272_100011219770 [0,2,0,0,0,0|1,0,0]=3 2290 B8R0.13 CCC(C)S(=O)(=O)NC 270084a_100102657272_100000685195 [0,2,0,0,0,0|2,0,0]=4 2291 B8R0.13 CCC(C)S(=O)(=O)NC 274078a_100102657272_100000685195 [0,2,0,0,0,0|2,0,0]=4 2292 B8R0.13 CCC(F)(F)C(=O)CF 1458a_100000061896_100015361967 [0,2,0,0,0,0|2,0,0]=4 2293 B8R0.13 CCC(F)(F)C(=O)NC 11a_106832991635_100000061896 [0,2,0,0,0,0|2,0,0]=4 2294 B8R0.13 CCC(F)(F)C(=O)NC 1626a_100102657272_100000061896 [0,2,0,0,0,0|2,0,0]=4 2295 B8R0.13 CCC(F)(F)C(=O)NC 240690a_100102657272_100000061896 [0,2,0,0,0,0|2,0,0]=4 2296 B8R0.13 CCC(F)(F)C(=O)NC 527a_100102657272_100000061896 [0,2,0,0,0,0|2,0,0]=4 2297 B8R0.13 CNC(=O)C(C)(C)C#N 11a_106832991635_100000740761 [0,2,0,0,0,0|2,0,0]=4 2298 B8R0.13 CNC(=O)C(C)(C)C#N 1626a_100102657272_100000740761 [0,2,0,0,0,0|2,0,0]=4 2299 B8R0.13 CNC(=O)C(C)(C)C#N 240690a_100102657272_100000740761 [0,2,0,0,0,0|2,0,0]=4 2300 B8R0.13 CNC(=O)C(C)(C)C#N 527a_100102657272_100000740761 [0,2,0,0,0,0|2,0,0]=4 2301 B8R0.13 CNC(=O)C(C)(C)CF 11a_106832991635_100000138116 [0,2,0,0,0,0|2,0,0]=4 2302 B8R0.13 CNC(=O)C(C)(C)CF 1626a_100102657272_100000138116 [0,2,0,0,0,0|2,0,0]=4 2303 B8R0.13 CNC(=O)C(C)(C)CF 240690a_100102657272_100000138116 [0,2,0,0,0,0|2,0,0]=4 2304 B8R0.13 CNC(=O)C(C)(C)CF 527a_100102657272_100000138116 [0,2,0,0,0,0|2,0,0]=4 2305 B8R0.13 CNC(=O)C(C)(C)CO 1626a_100102657272_100000749806 [0,2,0,0,0,0|2,0,0]=4 2306 B8R0.13 CNC(=O)C(C)(C)CO 240690a_100102657272_100000749806 [0,2,0,0,0,0|2,0,0]=4 2307 B8R0.13 CNC(=O)C(C)(C)CO 527a_100102657272_100000749806 [0,2,0,0,0,0|2,0,0]=4 2308 B8R0.13 CNC(=O)C(C)(C)NC 2230a_106832991635_100000732697 [0,2,0,0,0,0|1,0,0]=3 2309 B8R0.13 CNC(=O)C(C)(C)NC 34a_100102657272_100000732697 [0,2,0,0,0,0|1,0,0]=3 2310 B8R0.13 CNC(=O)C(C)(C)OC 11a_106832991635_100000753492 [0,2,0,0,0,0|0,1,0]=3 2311 B8R0.13 CNC(=O)C(C)(C)OC 1626a_100102657272_100000753492 [0,2,0,0,0,0|0,1,0]=3 2312 B8R0.13 CNC(=O)C(C)(C)OC 240690a_100102657272_100000753492 [0,2,0,0,0,0|0,1,0]=3 2313 B8R0.13 CNC(=O)C(C)(C)OC 34a_100138415774_100000732697 [0,2,0,0,0,0|0,1,0]=3 2314 B8R0.13 CNC(=O)C(C)(C)OC 527a_100102657272_100000753492 [0,2,0,0,0,0|0,1,0]=3 2315 B8R0.13 CNC(=O)C(C)(C)SC 62a_100000732697_200000210301 [0,2,0,0,0,0|0,0,0]=2 2316 B8R0.13 CNC(=O)C(C)(C)SC 62a_200000210301_100000732697 [0,2,0,0,0,0|0,0,0]=2 2317 B8R0.13 CNC(=O)C(C)(C)S[13CH3] 62a_100000732697_200025704644 [0,2,0,0,0,0|0,0,0]=2 2318 B8R0.13 CNC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000732697 [0,2,0,0,0,0|0,0,0]=2 2319 B8R0.13 CNC(C)(C)C(=O)OC 2230a_106832991635_100000689032 [0,2,0,0,0,0|1,0,0]=3 2320 B8R0.13 CNC(C)(F)C(=O)OC 2230a_106832991635_200009867631 [0,2,0,0,0,0|1,0,0]=3 2321 B8R0.13 CNC(C)(F)C(=O)OC 34a_100102657272_200009867631 [0,2,0,0,0,0|1,0,0]=3 2322 B8R0.13 CNC(F)(F)C(=O)OC 34a_100102657272_100000211177 [0,2,0,0,0,0|2,0,0]=4 2323 B8R0.13 CNC(F)(F)C(=O)OC 7a_106832991635_100000211177 [0,2,0,0,0,0|2,0,0]=4 2324 B8R0.13 COC(=O)C(C)(C)OC 34a_100011217581_200000210301 [0,2,0,0,0,0|0,1,0]=3 2325 B8R0.13 COC(=O)C(C)(C)OC 7a_100011217581_200000210301 [0,2,0,0,0,0|0,1,0]=3 2326 B8R0.13 COC(=O)C(C)(C)O[13CH3] 34a_100011217581_200025704644 [0,2,0,0,0,0|0,1,0]=3 2327 B8R0.13 COC(=O)C(C)(C)O[13CH3] 7a_100011217581_200025704644 [0,2,0,0,0,0|0,1,0]=3 2328 B8R0.13 COC(=O)C(C)(C)SC 62a_100000689032_200000210301 [0,2,0,0,0,0|0,0,0]=2 2329 B8R0.13 COC(=O)C(C)(C)SC 62a_200000210301_100000689032 [0,2,0,0,0,0|0,0,0]=2 2330 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_100000689032_200025704644 [0,2,0,0,0,0|0,0,0]=2 2331 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000689032 [0,2,0,0,0,0|0,0,0]=2 2332 B8R0.13 COC(=O)C(C)(F)OC 34a_100138415774_200009867631 [0,2,0,0,0,0|0,1,0]=3 2333 B8R0.13 COC(=O)C(C)(F)SC 62a_200000210301_200009867631 [0,2,0,0,0,0|0,0,0]=2 2334 B8R0.13 COC(=O)C(C)(F)SC 62a_200009867631_200000210301 [0,2,0,0,0,0|0,0,0]=2 2335 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200009867631_200025704644 [0,2,0,0,0,0|0,0,0]=2 2336 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200025704644_200009867631 [0,2,0,0,0,0|0,0,0]=2 2337 B8R0.13 COC(=O)C(F)(F)OC 34a_100138415774_100000211177 [0,2,0,0,0,0|1,1,0]=4 2338 B8R0.13 COC(=O)C(F)(F)SC 62a_100000211177_200000210301 [0,2,0,0,0,0|1,0,0]=3 2339 B8R0.13 COC(=O)C(F)(F)SC 62a_200000210301_100000211177 [0,2,0,0,0,0|1,0,0]=3 2340 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_100000211177_200025704644 [0,2,0,0,0,0|1,0,0]=3 2341 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000211177 [0,2,0,0,0,0|1,0,0]=3 2342 B8R0.13 COC(C)(C)C(=O)CF 1458a_100000753492_100015361967 [0,2,0,0,0,0|0,1,0]=3 2343 B8R0.13 COC(C)(C)C(=O)NN 34a_100000061348_200000210301 [0,2,0,0,0,0|1,1,0]=4 2344 B8R0.20 C#CC(=O)C(CC)CC 1458a_100000211873_100000210505 [0,2,0,0,0,0|1,0,1]=4 2345 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [0,2,0,0,0,0|1,0,1]=4 2346 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,2,0,0,0,0|1,0,0]=3 2347 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,2,0,0,0,0|1,0,0]=3 2348 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,2,0,0,0,0|0,1,0]=3 2349 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,2,0,0,0,0|0,1,0]=3 2350 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,2,0,0,0,0|0,1,0]=3 2351 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,2,0,0,0,0|0,1,0]=3 2352 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,2,0,0,0,0|0,1,0]=3 2353 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [0,2,0,0,0,0|0,1,0]=3 2354 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 2355 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 2356 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 2357 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 2358 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [0,2,0,0,0,0|1,0,0]=3 2359 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,2,0,0,0,0|1,0,0]=3 2360 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [0,2,0,0,0,0|1,0,0]=3 2361 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [0,2,0,0,0,0|1,0,0]=3 2362 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [0,2,0,0,0,0|1,0,0]=3 2363 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [0,2,0,0,0,0|1,0,0]=3 2364 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,2,0,0,0,0|1,0,0]=3 2365 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,2,0,0,0,0|1,0,0]=3 2366 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,2,0,0,0,0|1,0,0]=3 2367 B8R0.20 CCC(OC)C(=O)CF 1458a_100000747056_100015361967 [0,2,0,0,0,0|0,1,0]=3 2368 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [0,2,0,0,0,0|0,1,0]=3 2369 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [0,2,0,0,0,0|0,1,0]=3 2370 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [0,2,0,0,0,0|0,1,0]=3 2371 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [0,2,0,0,0,0|0,1,0]=3 2372 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,2,0,0,0,0|0,1,0]=3 2373 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,2,0,0,0,0|0,1,0]=3 2374 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,2,0,0,0,0|0,1,0]=3 2375 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,2,0,0,0,0|0,1,0]=3 2376 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,2,0,0,0,0|0,1,0]=3 2377 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,2,0,0,0,0|0,0,0]=2 2378 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,2,0,0,0,0|0,0,0]=2 2379 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,2,0,0,0,0|0,0,0]=2 2380 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,2,0,0,0,0|0,0,0]=2 2381 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [0,2,0,0,0,0|2,0,0]=4 2382 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [0,2,0,0,0,0|2,0,0]=4 2383 B8R0.20 CCN(CC)C(=O)NC 2708a_100102657272_100000724800 [0,2,0,0,0,0|2,0,0]=4 2384 B8R0.20 CCN(CC)C(=O)NC 273464a_100102657272_100000724800 [0,2,0,0,0,0|2,0,0]=4 2385 B8R0.20 CC[C@H](NC)C(=O)NC 2230a_106657271573_200000210301 [0,2,0,0,0,0|1,0,0]=3 2386 B8R0.20 CC[C@H](NC)C(=O)NC 34a_106657271573_200000210301 [0,2,0,0,0,0|1,0,0]=3 2387 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 2230a_106657271573_200025704644 [0,2,0,0,0,0|1,0,0]=3 2388 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 34a_106657271573_200025704644 [0,2,0,0,0,0|1,0,0]=3 2389 B8R0.20 CNC(=O)C(OC)OC 11a_106832991635_100000046285 [0,2,0,0,0,0|0,1,0]=3 2390 B8R0.20 CNC(=O)C(OC)OC 240690a_100102657272_100000046285 [0,2,0,0,0,0|0,1,0]=3 2391 B8R0.20 CNC(=O)C(OC)OC 527a_100102657272_100000046285 [0,2,0,0,0,0|0,1,0]=3 2392 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,2,0,0,0,0|1,0,1]=4 2393 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [0,2,0,0,0,0|1,0,0]=3 2394 B8R0.20 CNC(OC)C(=O)OC 34a_100102657272_100000101307 [0,2,0,0,0,0|0,1,0]=3 2395 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [0,2,0,0,0,0|0,1,1]=4 2396 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [0,2,0,0,0,0|0,0,1]=3 2397 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [0,2,0,0,0,0|0,0,1]=3 2398 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [0,2,0,0,0,0|0,0,1]=3 2399 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [0,2,0,0,0,0|0,0,1]=3 2400 B8R0.20 COC(=O)C(CN)OC 34a_100000695228_200000210301 [0,2,0,0,0,0|0,1,0]=3 2401 B8R0.20 COC(=O)C(CN)O[13CH3] 34a_100000695228_200025704644 [0,2,0,0,0,0|0,1,0]=3 2402 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [0,2,0,0,0,0|0,1,0]=3 2403 B8R0.20 COC(=O)C(CO)SC 62a_100012276630_200000210301 [0,2,0,0,0,0|0,0,0]=2 2404 B8R0.20 COC(=O)C(CO)SC 62a_200000210301_100012276630 [0,2,0,0,0,0|0,0,0]=2 2405 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_100012276630_200025704644 [0,2,0,0,0,0|0,0,0]=2 2406 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_200025704644_100012276630 [0,2,0,0,0,0|0,0,0]=2 2407 B8R0.20 COC(=O)C(OC)OC 34a_100000036821_200000210301 [0,2,0,0,0,0|0,1,0]=3 2408 B8R0.20 COC(=O)C(OC)OC 34a_100138415774_100000101307 [0,2,0,0,0,0|0,1,0]=3 2409 B8R0.20 COC(=O)C(OC)O[13CH3] 34a_100000036821_200025704644 [0,2,0,0,0,0|0,1,0]=3 2410 B8R0.20 COC(=O)C(OC)SC 62a_100000101307_200000210301 [0,2,0,0,0,0|0,0,0]=2 2411 B8R0.20 COC(=O)C(OC)SC 62a_200000210301_100000101307 [0,2,0,0,0,0|0,0,0]=2 2412 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_100000101307_200025704644 [0,2,0,0,0,0|0,0,0]=2 2413 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_200025704644_100000101307 [0,2,0,0,0,0|0,0,0]=2 2414 B8R0.20 COC(OC)C(=O)CF 1458a_100000046285_100015361967 [0,2,0,0,0,0|0,1,0]=3 2415 B8R0.20 COC(OC)C(C)SC 62a_100011222894_200000210301 [0,2,0,0,0,0|0,0,2]=4 2416 B8R0.20 COC(OC)C(C)SC 62a_200000210301_100011222894 [0,2,0,0,0,0|0,0,2]=4 2417 B8R0.20 COC(OC)C(C)S[13CH3] 62a_100011222894_200025704644 [0,2,0,0,0,0|0,0,2]=4 2418 B8R0.20 COC(OC)C(C)S[13CH3] 62a_200025704644_100011222894 [0,2,0,0,0,0|0,0,2]=4 2419 B8R0.36 CC(=O)C(C)(CO)CO 1458a_100000693232_200000210301 [0,2,0,0,0,0|2,0,0]=4 2420 B8R0.36 CC(CO)(CO)C(=O)[13CH3] 1458a_100000693232_200025704644 [0,2,0,0,0,0|2,0,0]=4 2421 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000070787_100009817345 [0,2,0,0,0,0|1,0,0]=3 2422 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000760562_200000210301 [0,2,0,0,0,0|1,0,0]=3 2423 B8R0.36 CCC(C)(CC)C(=O)[13CH3] 1458a_100000760562_200025704644 [0,2,0,0,0,0|1,0,0]=3 2424 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,2,0,0,0,0|2,0,0]=4 2425 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,2,0,0,0,0|2,0,0]=4 2426 B8R0.37 C=C(Cl)C(C)(C)C(=O)C 1458a_100000049003_200000210301 [0,2,0,0,0,0|1,0,1]=4 2427 B8R0.37 C=C(Cl)C(C)(C)C(=O)[13CH3] 1458a_100000049003_200025704644 [0,2,0,0,0,0|1,0,1]=4 2428 B8R0.37 CC(=O)C(C)(C)N(C)C 1458a_100000688961_200000210301 [0,2,0,0,0,0|1,0,0]=3 2429 B8R0.37 CC(=O)C(C)(C)N(C)C 269982a_100102631434_100000075568 [0,2,0,0,0,0|1,0,0]=3 2430 B8R0.37 CN(C)C(C)(C)C(=O)N 2230a_100102631434_100000702505 [0,2,0,0,0,0|2,0,0]=4 2431 B8R0.37 CN(C)C(C)(C)C(=O)N 269982a_100102631434_100000702505 [0,2,0,0,0,0|2,0,0]=4 2432 B8R0.37 CN(C)C(C)(C)C(=O)[13CH3] 1458a_100000688961_200025704644 [0,2,0,0,0,0|1,0,0]=3 2433 B8R0.27 CC(=O)C(C)C(F)(F)F 1458a_100000137572_200000210301 [0,2,0,0,0,0|2,0,0]=4 2434 B8R0.27 CC(=O)N(C)C(C)(C)C 11a_100011215553_100015343762 [0,2,0,0,0,0|2,0,0]=4 2435 B8R0.27 CC(=O)N(C)C(C)(C)C 1626a_100011215553_100015343762 [0,2,0,0,0,0|2,0,0]=4 2436 B8R0.27 CC(=O)N(C)C(C)(C)C 240690a_100011215553_100015343762 [0,2,0,0,0,0|2,0,0]=4 2437 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [0,2,0,0,0,0|2,0,0]=4 2438 B8R0.27 CC(C(=O)[13CH3])C(F)(F)F 1458a_100000137572_200025704644 [0,2,0,0,0,0|2,0,0]=4 2439 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [0,2,0,0,0,0|2,0,0]=4 2440 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [0,2,0,0,0,0|0,0,0]=2 2441 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [0,2,0,0,0,0|0,0,0]=2 2442 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [0,2,0,0,0,0|1,0,0]=3 2443 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [0,2,0,0,0,0|1,0,0]=3 2444 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,2,0,0,0,0|2,0,0]=4 2445 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,2,0,0,0,0|2,0,0]=4 2446 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [0,2,0,0,0,0|1,0,1]=4 2447 B8R0.18 CCC(C(=O)C)N(C)C 1458a_100000689100_200000210301 [0,2,0,0,0,0|1,0,0]=3 2448 B8R0.18 CCC(C(=O)N)N(C)C 2230a_100102631434_100000750255 [0,2,0,0,0,0|2,0,0]=4 2449 B8R0.18 CCC(C(=O)N)N(C)C 269982a_100102631434_100000750255 [0,2,0,0,0,0|2,0,0]=4 2450 B8R0.18 CCC(C(=O)[13CH3])N(C)C 1458a_100000689100_200025704644 [0,2,0,0,0,0|1,0,0]=3 2451 B8R0.18 CCN(C(=O)C)C(C)C 11a_100000223864_100015343762 [0,2,0,0,0,0|2,0,0]=4 2452 B8R0.18 CCN(C(=O)C)C(C)C 1626a_100000223864_100015343762 [0,2,0,0,0,0|2,0,0]=4 2453 B8R0.18 CCN(C(=O)C)C(C)C 240690a_100000223864_100015343762 [0,2,0,0,0,0|2,0,0]=4 2454 B8R0.18 CCN(C(=O)C)C(C)C 527a_100000223864_100103153847 [0,2,0,0,0,0|2,0,0]=4 2455 B8R0.18 CC[C@@H](C(=O)N)N(C)C 2230a_103436537554_200000210301 [0,2,0,0,0,0|2,0,0]=4 2456 B8R0.18 CC[C@@H](C(=O)N)N(C)C 269982a_103436537554_200000210301 [0,2,0,0,0,0|2,0,0]=4 2457 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 2230a_103436537554_200025704644 [0,2,0,0,0,0|2,0,0]=4 2458 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 269982a_103436537554_200025704644 [0,2,0,0,0,0|2,0,0]=4 2459 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,2,0,0,0,0|2,0,0]=4 2460 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,2,0,0,0,0|2,0,0]=4 2461 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,2,0,0,0,0|2,0,0]=4 2462 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,2,0,0,0,0|2,0,0]=4 2463 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,2,0,0,0,0|2,0,0]=4 2464 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,2,0,0,0,0|2,0,0]=4 2465 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [0,2,0,0,0,0|2,0,0]=4 2466 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,2,0,0,0,0|1,1,0]=4 2467 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [0,2,0,0,0,0|0,0,0]=2 2468 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [0,2,0,0,0,0|0,0,0]=2 2469 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [0,2,0,0,0,0|1,0,0]=3 2470 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [0,2,0,0,0,0|1,0,0]=3 2471 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [0,2,0,0,0,0|2,0,0]=4 2472 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [1,0,0,1,0,0|2,0,0]=4 2473 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [1,0,0,1,0,0|2,0,0]=4 2474 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [1,0,0,1,0,0|2,0,0]=4 2475 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [1,0,0,1,0,0|2,0,0]=4 2476 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [1,0,0,1,0,0|1,0,1]=4 2477 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [1,0,0,1,0,0|1,0,1]=4 2478 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [1,0,0,1,0,0|0,0,2]=4 2479 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [1,0,0,1,0,0|0,0,2]=4 2480 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [1,0,0,1,0,0|0,1,1]=4 2481 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [1,0,0,1,0,0|0,1,1]=4 2482 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [1,0,0,1,0,0|0,0,2]=4 2483 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [1,0,0,1,0,0|0,0,2]=4 2484 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [1,0,0,1,0,0|1,0,1]=4 2485 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [1,0,0,1,0,0|1,0,1]=4 2486 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [1,0,0,1,0,0|0,0,2]=4 2487 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [1,0,0,1,0,0|0,0,2]=4 2488 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [1,0,0,1,0,0|0,1,1]=4 2489 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [1,0,0,1,0,0|0,1,1]=4 2490 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [1,0,0,1,0,0|0,0,2]=4 2491 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [1,0,0,1,0,0|0,0,2]=4 2492 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|1,0,0]=3 2493 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|0,1,0]=3 2494 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|1,0,0]=3 2495 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|0,1,0]=3 2496 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,1,0,0|1,0,1]=4 2497 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,1,0,0|1,0,1]=4 2498 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,1,0,0|1,0,1]=4 2499 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,1,0,0|1,0,1]=4 2500 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [1,0,0,1,0,0|1,0,1]=4 2501 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [1,0,0,1,0,0|1,0,1]=4 2502 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [1,0,0,1,0,0|1,0,1]=4 2503 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [1,0,0,1,0,0|1,0,1]=4 2504 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,1,0,0|0,1,1]=4 2505 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,1,0,0|0,1,1]=4 2506 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,1,0,0|0,0,1]=3 2507 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [1,0,0,1,0,0|0,0,2]=4 2508 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [1,0,0,1,0,0|1,0,1]=4 2509 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [1,0,0,1,0,0|1,0,1]=4 2510 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,1,0,0|0,1,1]=4 2511 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,1,0,0|0,0,1]=3 2512 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [1,0,0,1,0,0|0,0,2]=4 2513 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [1,0,0,1,0,0|1,0,1]=4 2514 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [1,0,0,1,0,0|0,1,1]=4 2515 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [1,0,0,1,0,0|1,0,1]=4 2516 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [1,0,0,1,0,0|0,1,1]=4 2517 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [0,0,0,1,0,1|2,0,0]=4 2518 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,0,0,1,0,1|2,0,0]=4 2519 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,0,0,1,0,1|2,0,0]=4 2520 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,0,0,1,0,1|0,1,0]=3 2521 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,0,0,1,0,1|1,1,0]=4 2522 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,0,0,1,0,1|1,1,0]=4 2523 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [0,0,0,1,0,1|2,0,0]=4 2524 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,0,0,1,0,1|1,0,0]=3 2525 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,0,0,1,0,1|2,0,0]=4 2526 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,0,0,1,0,1|0,1,0]=3 2527 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,0,0,1,0,1|1,1,0]=4 2528 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,0,0,1,0,1|1,0,0]=3 2529 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,0,0,1,0,1|2,0,0]=4 2530 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,0,0,1,0,1|2,0,0]=4 2531 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,0,0,1,0,1|2,0,0]=4 2532 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,0,0,1,0,1|2,0,0]=4 2533 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,0,0,1,0,1|2,0,0]=4 2534 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,0,0,1,0,1|2,0,0]=4 2535 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,0,0,1,0,1|1,0,0]=3 2536 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,0,0,1,0,1|1,0,0]=3 2537 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,0,0,1,0,1|1,0,0]=3 2538 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,0,0,1,0,1|1,0,1]=4 2539 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,0,0,1,0,1|1,0,0]=3 2540 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,0,0,1,0,1|1,0,0]=3 2541 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,0,0,1,0,1|0,1,0]=3 2542 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,0,0,1,0,1|2,0,0]=4 2543 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,0,0,1,0,1|2,0,0]=4 2544 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,0,0,1,0,1|1,0,0]=3 2545 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,0,0,1,0,1|1,0,0]=3 2546 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,0,0,1,0,1|1,0,0]=3 2547 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,0,0,1,0,1|1,0,0]=3 2548 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [0,0,0,1,0,1|2,0,0]=4 2549 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [0,0,0,1,0,1|2,0,0]=4 2550 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [0,0,0,1,0,1|2,0,0]=4 2551 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [0,0,0,1,0,1|2,0,0]=4 2552 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [0,0,0,1,0,1|2,0,0]=4 2553 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [0,0,0,1,0,1|2,0,0]=4 2554 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [0,0,0,1,0,1|2,0,0]=4 2555 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [0,0,0,1,0,1|2,0,0]=4 2556 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,0,0,1,0,1|1,0,1]=4 2557 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,0,0,1,0,1|1,0,0]=3 2558 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,0,0,1,0,1|2,0,0]=4 2559 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,0,0,1,0,1|1,0,0]=3 2560 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,0,0,1,0,1|0,1,0]=3 2561 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [0,0,0,1,0,1|1,0,0]=3 2562 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [0,0,0,1,0,1|1,0,0]=3 2563 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [0,0,0,1,0,1|1,0,0]=3 2564 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [0,0,0,1,0,1|1,0,0]=3 2565 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,0,0,1,0,1|1,0,0]=3 2566 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [0,0,0,1,0,1|2,0,0]=4 2567 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,0,1,0,1|1,0,0]=3 2568 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,0,1,0,1|1,0,0]=3 2569 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [0,0,0,1,0,1|2,0,0]=4 2570 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,1,0,1,0,0|1,0,1]=4 2571 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,1,0,1,0,0|1,0,1]=4 2572 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,1,0,1,0,0|0,1,1]=4 2573 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,1,0,1,0,0|1,0,1]=4 2574 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,1,0,1,0,0|1,0,0]=3 2575 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,1,0,1,0,0|1,0,0]=3 2576 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,1,0,1,0,0|0,0,0]=2 2577 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,1,0,1,0,0|0,1,0]=3 2578 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,1,0,1,0,0|0,1,0]=3 2579 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,1,0,1,0,0|2,0,0]=4 2580 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,1,0,1,0,0|2,0,0]=4 2581 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,1,0,1,0,0|1,0,0]=3 2582 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,1,0,1,0,0|1,0,0]=3 2583 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,1,0,1,0,0|1,0,0]=3 2584 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,1,0,1,0,0|0,1,0]=3 2585 B8R1.7 CN(C)C1CCSC1 270004a_100102631434_100000212027 [0,1,0,1,0,0|2,0,0]=4 2586 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,1,0,1,0,0|1,0,1]=4 2587 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,1,0,1,0,0|1,0,1]=4 2588 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,1,0,1,0,0|0,1,1]=4 2589 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,1,0,1,0,0|1,0,1]=4 2590 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,1,0,1,0,0|1,0,0]=3 2591 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,1,0,1,0,0|0,0,0]=2 2592 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,1,0,1,0,0|0,1,0]=3 2593 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,1,0,1,0,0|0,1,0]=3 2594 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|0,1,0]=3 2595 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,1,0,0|0,0,0]=2 2596 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,1,0,0|0,0,0]=2 2597 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,1,0,1,0,0|0,0,0]=2 2598 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,1,0,1,0,0|0,0,0]=2 2599 B8R1.19 CC1(SCCN1[13CH3])C 2230a_100011217261_200025704644 [0,1,0,1,0,0|2,0,0]=4 2600 B8R1.19 CC1(SCCN1[13CH3])C 269982a_100011217261_200025704644 [0,1,0,1,0,0|2,0,0]=4 2601 B8R1.19 CC1(SCCN1[13CH3])C 34a_100011217261_200025704644 [0,1,0,1,0,0|2,0,0]=4 2602 B8R1.19 CN1CCSC1(C)C 2230a_100011217261_200000210301 [0,1,0,1,0,0|2,0,0]=4 2603 B8R1.19 CN1CCSC1(C)C 269982a_100011217261_200000210301 [0,1,0,1,0,0|2,0,0]=4 2604 B8R1.19 CN1CCSC1(C)C 34a_100011217261_200000210301 [0,1,0,1,0,0|2,0,0]=4 2605 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,1,0,1,0,0|1,0,1]=4 2606 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,1,0,1,0,0|1,0,1]=4 2607 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,1,0,1,0,0|1,0,0]=3 2608 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,1,0,1,0,0|1,0,0]=3 2609 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,1,0,1,0,0|1,0,0]=3 2610 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,1,0,1,0,0|2,0,0]=4 2611 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,1,0,1,0,0|2,0,0]=4 2612 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,1,0,1,0,0|2,0,0]=4 2613 B8R1.23 CC(=O)N1CC(C1)F 11a_100000690557_100015343762 [0,1,0,1,0,0|2,0,0]=4 2614 B8R1.23 CC(=O)N1CC(C1)F 240690a_100000690557_100015343762 [0,1,0,1,0,0|2,0,0]=4 2615 B8R1.23 CC(=O)N1CC(C1)F 527a_100000690557_100103153847 [0,1,0,1,0,0|2,0,0]=4 2616 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,1,0,1,0,0|2,0,0]=4 2617 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,1,0,1,0,0|2,0,0]=4 2618 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,1,0,1,0,0|2,0,0]=4 2619 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,1,0,1,0,0|1,0,1]=4 2620 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,1,0,1,0,0|1,0,0]=3 2621 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,1,0,1,0,0|1,0,0]=3 2622 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,1,0,1,0,0|2,0,0]=4 2623 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,1,0,1,0,0|1,0,0]=3 2624 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,1,0,1,0,0|1,0,0]=3 2625 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,1,0,1,0,0|1,0,1]=4 2626 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,1,0,1,0,0|1,0,0]=3 2627 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,1,0,1,0,0|2,0,0]=4 2628 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [0,1,0,1,0,0|2,0,0]=4 2629 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [0,1,0,1,0,0|2,0,0]=4 2630 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [0,1,0,1,0,0|2,0,0]=4 2631 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [0,1,0,1,0,0|2,0,0]=4 2632 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,1,0,1,0,0|1,0,0]=3 2633 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,1,0,1,0,0|1,0,0]=3 2634 B8R1.78 CC(=O)C1(COC1)C 1458a_100000094709_200000210301 [0,1,0,1,0,0|0,1,0]=3 2635 B8R1.78 CC(=O)C1(COC1)O 1458a_100010273515_200000210301 [0,1,0,1,0,0|1,1,0]=4 2636 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,1,0,1,0,0|1,0,0]=3 2637 B8R1.78 CC1(COC1)C(=O)[13CH3] 1458a_100000094709_200025704644 [0,1,0,1,0,0|0,1,0]=3 2638 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,1,0,1,0,0|1,0,0]=3 2639 B8R1.78 [13CH3]C(=O)C1(COC1)O 1458a_100010273515_200025704644 [0,1,0,1,0,0|1,1,0]=4 2640 B8R1.11 CC1SCCN1CF 269982a_200011216479_100015361967 [0,1,0,1,0,0|2,0,0]=4 2641 B8R1.11 CC1SCCN1CF 34a_200011216479_100015361967 [0,1,0,1,0,0|2,0,0]=4 2642 B8R1.11 CCN1CCSC1C 2230a_200011216479_100000210202 [0,1,0,1,0,0|2,0,0]=4 2643 B8R1.11 CCN1CCSC1C 269982a_200011216479_100000204670 [0,1,0,1,0,0|2,0,0]=4 2644 B8R1.11 CCN1CCSC1C 34a_200011216479_100000210202 [0,1,0,1,0,0|2,0,0]=4 2645 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,1,0,0|1,0,0]=3 2646 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,1,0,0|1,0,0]=3 2647 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,1,0,0|1,0,0]=3 2648 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,1,0,0|1,0,0]=3 2649 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,1,0,0|1,0,0]=3 2650 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|1,0,0]=3 2651 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|1,0,0]=3 2652 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|1,0,0]=3 2653 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,1,0,1,0,0|2,0,0]=4 2654 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,1,0,1,0,0|2,0,0]=4 2655 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|0,1,0]=3 2656 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|0,1,0]=3 2657 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,1,0,0|0,1,0]=3 2658 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,1,0,0|0,1,0]=3 2659 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|0,0,0]=2 2660 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|0,0,0]=2 2661 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,1,0,0|0,0,0]=2 2662 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,1,0,0|0,0,0]=2 2663 B8R1.11 CSC1COCC1O 62a_200000210301_200000725654 [0,1,0,1,0,0|0,0,2]=4 2664 B8R1.11 CSC1COCC1O 62a_200000725654_200000210301 [0,1,0,1,0,0|0,0,2]=4 2665 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,1,0,0|0,0,2]=4 2666 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,1,0,0|0,0,2]=4 2667 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,1,0,0|1,0,0]=3 2668 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,1,0,0|1,0,0]=3 2669 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,1,0,1,0,0|2,0,0]=4 2670 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,1,0,1,0,0|2,0,0]=4 2671 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|0,1,0]=3 2672 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,1,0,0|0,1,0]=3 2673 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|0,0,0]=2 2674 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|0,0,0]=2 2675 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,1,0,0|0,0,0]=2 2676 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,1,0,0|0,0,0]=2 2677 B8R1.11 [13CH3]SC1COCC1O 62a_200000725654_200025704644 [0,1,0,1,0,0|0,0,2]=4 2678 B8R1.11 [13CH3]SC1COCC1O 62a_200025704644_200000725654 [0,1,0,1,0,0|0,0,2]=4 2679 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,1,0,0|0,0,2]=4 2680 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,1,0,0|0,0,2]=4 2681 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,1,0,1,0,0|1,0,1]=4 2682 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,1,0,1,0,0|1,0,1]=4 2683 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,1,0,0|1,0,0]=3 2684 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,1,0,0|1,0,0]=3 2685 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,1,0,0|0,1,0]=3 2686 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,1,0,1,0,0|2,0,0]=4 2687 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,1,0,1,0,0|2,0,0]=4 2688 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,1,0,1,0,0|2,0,0]=4 2689 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,1,0,1,0,0|2,0,0]=4 2690 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,1,0,1,0,0|2,0,0]=4 2691 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,1,0,1,0,0|1,0,0]=3 2692 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 2693 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 2694 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 2695 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,1,0,1,0,0|0,1,0]=3 2696 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,1,0,1,0,0|0,1,0]=3 2697 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,1,0,1,0,0|0,1,0]=3 2698 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,1,0,1,0,0|0,1,0]=3 2699 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,1,0,1,0,0|2,0,0]=4 2700 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 2701 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 2702 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 2703 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,1,0,1,0,0|2,0,0]=4 2704 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,1,0,1,0,0|2,0,0]=4 2705 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,1,0,1,0,0|1,0,0]=3 2706 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,1,0,1,0,0|0,1,0]=3 2707 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [0,1,0,1,0,0|2,0,0]=4 2708 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,1,0,0|1,0,0]=3 2709 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,1,0,1,0,0|2,0,0]=4 2710 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,1,0,0|2,0,0]=4 2711 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,1,0,0|2,0,0]=4 2712 B8R1.39 CC1(CC1)C(=O)CF 1458a_100000756474_100015361967 [0,1,0,1,0,0|1,0,0]=3 2713 B8R1.39 CCC(=O)C1(CC1)C 1458a_100000756474_100000210202 [0,1,0,1,0,0|1,0,0]=3 2714 B8R1.39 CCC(=O)C1(CC1)F 1458a_100000055089_100000210202 [0,1,0,1,0,0|2,0,0]=4 2715 B8R1.39 CCC(=O)C1(CC1)O 1458a_100000241761_100000210202 [0,1,0,1,0,0|2,0,0]=4 2716 B8R1.39 CNC(=O)C1(CC1)C 11a_106832991635_100000756474 [0,1,0,1,0,0|1,0,0]=3 2717 B8R1.39 CNC(=O)C1(CC1)C 1626a_100102657272_100000756474 [0,1,0,1,0,0|1,0,0]=3 2718 B8R1.39 CNC(=O)C1(CC1)C 240690a_100102657272_100000756474 [0,1,0,1,0,0|1,0,0]=3 2719 B8R1.39 CNC(=O)C1(CC1)C 527a_100102657272_100000756474 [0,1,0,1,0,0|1,0,0]=3 2720 B8R1.39 CNC(=O)C1(CC1)F 11a_106832991635_100000055089 [0,1,0,1,0,0|2,0,0]=4 2721 B8R1.39 CNC(=O)C1(CC1)F 1626a_100102657272_100000055089 [0,1,0,1,0,0|2,0,0]=4 2722 B8R1.39 CNC(=O)C1(CC1)F 240690a_100102657272_100000055089 [0,1,0,1,0,0|2,0,0]=4 2723 B8R1.39 CNC(=O)C1(CC1)F 527a_100102657272_100000055089 [0,1,0,1,0,0|2,0,0]=4 2724 B8R1.39 CNC(=O)C1(CC1)O 240690a_100102657272_100000241761 [0,1,0,1,0,0|2,0,0]=4 2725 B8R1.39 O=C(CF)C1(CC1)F 1458a_100000055089_100015361967 [0,1,0,1,0,0|2,0,0]=4 2726 B8R1.39 O=C(CF)C1(CC1)O 1458a_100000241761_100015361967 [0,1,0,1,0,0|2,0,0]=4 2727 B8R1.63 C#CC1(CC1)C(=O)C 1458a_100000139144_200000210301 [0,1,0,1,0,0|1,0,1]=4 2728 B8R1.63 C#CC1(CC1)C(=O)[13CH3] 1458a_100000139144_200025704644 [0,1,0,1,0,0|1,0,1]=4 2729 B8R1.63 CC(=O)C1(CC1)C#N 1458a_100000070787_100009889376 [0,1,0,1,0,0|1,0,1]=4 2730 B8R1.63 CC(=O)C1(CC1)C#N 1458a_100000691320_200000210301 [0,1,0,1,0,0|1,0,1]=4 2731 B8R1.63 CC(=O)C1(CC1)CO 1458a_100012027107_200000210301 [0,1,0,1,0,0|1,0,0]=3 2732 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_100000086384_200025704644 [0,1,0,1,0,0|0,0,0]=2 2733 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_200025704644_100000086384 [0,1,0,1,0,0|0,0,0]=2 2734 B8R1.63 CNC1(CC1)C(=O)N 2230a_100000687655_200000210301 [0,1,0,1,0,0|2,0,0]=4 2735 B8R1.63 CNC1(CC1)C(=O)N 34a_100102657272_100010760883 [0,1,0,1,0,0|2,0,0]=4 2736 B8R1.63 CNC1(CC1)C(=O)N 7a_106832991635_100010760883 [0,1,0,1,0,0|2,0,0]=4 2737 B8R1.63 CNC1(CC1)C(=O)O 269956a_100000746478_200000210301 [0,1,0,1,0,0|2,0,0]=4 2738 B8R1.63 COC1(CC1)C(=O)C 1458a_100000137688_200000210301 [0,1,0,1,0,0|0,1,0]=3 2739 B8R1.63 COC1(CC1)C(=O)N 34a_100138415774_100010760883 [0,1,0,1,0,0|1,1,0]=4 2740 B8R1.63 COC1(CC1)C(=O)[13CH3] 1458a_100000137688_200025704644 [0,1,0,1,0,0|0,1,0]=3 2741 B8R1.63 CSC1(CC1)C(=O)C 62a_100000086384_200000210301 [0,1,0,1,0,0|0,0,0]=2 2742 B8R1.63 CSC1(CC1)C(=O)C 62a_200000210301_100000086384 [0,1,0,1,0,0|0,0,0]=2 2743 B8R1.63 CSC1(CC1)C(=O)N 62a_100010760883_200000210301 [0,1,0,1,0,0|1,0,0]=3 2744 B8R1.63 CSC1(CC1)C(=O)N 62a_200000210301_100010760883 [0,1,0,1,0,0|1,0,0]=3 2745 B8R1.63 [13CH3]C(=O)C1(CC1)C#N 1458a_100000691320_200025704644 [0,1,0,1,0,0|1,0,1]=4 2746 B8R1.63 [13CH3]C(=O)C1(CC1)CO 1458a_100012027107_200025704644 [0,1,0,1,0,0|1,0,0]=3 2747 B8R1.63 [13CH3]NC1(CC1)C(=O)N 2230a_100000687655_200025704644 [0,1,0,1,0,0|2,0,0]=4 2748 B8R1.63 [13CH3]NC1(CC1)C(=O)O 269956a_100000746478_200025704644 [0,1,0,1,0,0|2,0,0]=4 2749 B8R1.63 [13CH3]SC1(CC1)C(=O)N 62a_100010760883_200025704644 [0,1,0,1,0,0|1,0,0]=3 2750 B8R1.63 [13CH3]SC1(CC1)C(=O)N 62a_200025704644_100010760883 [0,1,0,1,0,0|1,0,0]=3 2751 B8R1.77 CC(=O)C1CC1(F)F 1458a_100000042250_200000210301 [0,1,0,1,0,0|2,0,0]=4 2752 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,1,0,1,0,0|1,0,0]=3 2753 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,1,0,1,0,0|1,0,0]=3 2754 B8R1.77 [13CH3]C(=O)C1CC1(F)F 1458a_100000042250_200025704644 [0,1,0,1,0,0|2,0,0]=4 2755 B8R0.9 C#CC(C)OCC(=O)C 34a_100000211253_200000035995 [0,0,0,0,0,2|1,0,1]=4 2756 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,0,0,0,0,2|2,0,0]=4 2757 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,0,0,0,0,2|2,0,0]=4 2758 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,0,0,0,0,2|2,0,0]=4 2759 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,0,0,0,0,2|2,0,0]=4 2760 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,0,0,0,0,2|2,0,0]=4 2761 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,0,0,0,0,2|2,0,0]=4 2762 B8R0.9 C=C(C)CSC(C)OC 62a_100000748629_100009879195 [0,0,0,0,0,2|1,1,0]=4 2763 B8R0.9 C=C(C)CSC(C)OC 62a_100009879195_100000211660 [0,0,0,0,0,2|1,1,0]=4 2764 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,0,0,0,0,2|2,0,0]=4 2765 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,0,0,0,0,2|2,0,0]=4 2766 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,0,0,0,0,2|2,0,0]=4 2767 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,0,0,0,0,2|1,0,1]=4 2768 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,0,0,0,0,2|1,0,1]=4 2769 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,0,0,0,0,2|1,0,1]=4 2770 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,0,0,0,0,2|1,0,1]=4 2771 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,0,0,0,0,2|1,0,0]=3 2772 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,0,0,0,0,2|1,0,0]=3 2773 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,0,0,0,0,2|1,0,0]=3 2774 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,0,0,0,0,2|1,0,0]=3 2775 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,0,0,0,0,2|1,0,0]=3 2776 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,0,0,0,0,2|1,0,0]=3 2777 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,0,0,0,0,2|2,0,0]=4 2778 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,0,0,0,0,2|2,0,0]=4 2779 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,0,0,0,0,2|2,0,0]=4 2780 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,0,0,0,0,2|1,0,0]=3 2781 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,0,0,0,0,2|1,0,0]=3 2782 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,0,0,0,0,2|2,0,0]=4 2783 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,0,0,0,0,2|2,0,0]=4 2784 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,0,0,0,0,2|2,0,0]=4 2785 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,0,0,0,0,2|2,0,0]=4 2786 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,0,0,0,0,2|2,0,0]=4 2787 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,0,0,0,0,2|2,0,0]=4 2788 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,0,0,0,0,2|2,0,0]=4 2789 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,0,0,0,0,2|2,0,0]=4 2790 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,0,0,0,0,2|2,0,0]=4 2791 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,0,0,0,0,2|2,0,0]=4 2792 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,0,0,0,0,2|2,0,0]=4 2793 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,0,0,0,0,2|2,0,0]=4 2794 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,0,0,0,0,2|1,0,0]=3 2795 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,0,0,0,0,2|1,1,0]=4 2796 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,0,0,0,0,2|1,1,0]=4 2797 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,0,0,0,0,2|1,1,0]=4 2798 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,0,0,0,0,2|1,1,0]=4 2799 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,0,0,0,0,2|1,1,0]=4 2800 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,0,0,0,0,2|0,1,0]=3 2801 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,0,0,0,0,2|0,1,0]=3 2802 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,0,0,0,0,2|0,1,0]=3 2803 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,0,0,0,0,2|0,1,0]=3 2804 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,0,0,0,0,2|1,0,1]=4 2805 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,0,0,0,0,2|1,0,1]=4