0 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,0,0,0,0,0|1,1,1]=3 4 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,0,0,0,0,0|2,1,1]=4 5 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,0,0,0,0,0|2,1,1]=4 6 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,0,0,0,0,0|2,1,1]=4 7 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,0,0,0,0,0|1,1,0]=2 16 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,0,0,0,0,0|1,1,2]=4 27 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,0,0,0,0,0|1,1,2]=4 28 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,0,0,0,0,0|1,1,2]=4 29 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,0,0,0,0,0|2,1,1]=4 30 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,0,0,0,0,0|2,1,1]=4 31 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,0,0,0,0,0|2,1,1]=4 32 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,0,0,0,0,0|2,1,1]=4 33 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,0,0,0,0,0|0,1,3]=4 34 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,0,0,0,0,0|0,1,3]=4 35 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,0,0,0,0|1,0,0]=1 36 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,0,0,0,0|1,0,0]=1 37 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,0,0,0,0|1,0,0]=1 38 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,0,0,0,0|0,1,0]=1 45 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,0,0,0,0|0,1,0]=1 46 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,0,0,0,0,0|2,0,0]=2 48 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,0,0,0,0,0|2,0,0]=2 49 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,0,0,0,0,0|2,0,0]=2 50 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,0,0,0,0,0|3,0,1]=4 56 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,0,0,0,0,0|1,1,1]=3 58 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,0,0,0,0,0|2,1,1]=4 59 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,0,0,0,0,0|1,1,1]=3 60 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,0,0,0,0,0|2,0,0]=2 61 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,0,0,0,0,0|2,0,0]=2 62 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,0,0,0,0,0|3,0,0]=3 64 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,0,0,0,0,0|3,0,0]=3 65 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,0,0,0,0,0|3,0,0]=3 67 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,0,0,0,0,0|3,0,0]=3 68 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,0,0,0,0,0|3,0,0]=3 69 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,0,0,0,0,0|3,0,0]=3 70 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,0,0,0,0,0|3,0,0]=3 71 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,0,0,0,0,0|3,0,0]=3 72 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,0,0,0,0,0|3,0,0]=3 73 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,0,0,0,0,0|2,0,0]=2 74 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,0,0,0,0,0|2,0,0]=2 75 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,0,0,0,0,0|3,0,0]=3 76 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,0,0,0,0,0|2,0,0]=2 77 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,0,0,0,0,0|4,0,0]=4 79 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,0,0,0,0,0|3,0,0]=3 80 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,0,0,0,0,0|3,0,0]=3 81 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,0,0,0,0,0|3,0,0]=3 82 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,0,0,0,0,0|3,0,0]=3 83 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,0,0,0,0,0|3,0,0]=3 84 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,0,0,0,0,0|2,0,0]=2 85 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,0,0,0,0,0|2,0,0]=2 86 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,0,0,0,0,0|2,0,0]=2 87 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,0,0,0,0,0|3,0,0]=3 88 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,0,0,0,0,0|3,0,0]=3 89 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,0,0,0,0,0|2,0,0]=2 90 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,0,0,0,0,0|3,0,0]=3 91 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,0,0,0,0,0|3,0,0]=3 92 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,0,0,0,0,0|3,0,0]=3 93 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,0,0,0,0,0|3,0,0]=3 94 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,0,0,0,0,0|3,0,0]=3 95 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,0,0,0,0,0|3,0,0]=3 96 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,0,0,0,0,0|3,0,0]=3 97 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,0,0,0,0,0|3,0,0]=3 98 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,0,0,0,0,0|4,0,0]=4 99 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,0,0,0,0,0|3,0,0]=3 100 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,0,0,0,0,0|3,0,0]=3 101 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,0,0,0,0,0|1,1,0]=2 102 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,0,0,0,0,0|3,0,0]=3 103 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,0,0,0,0,0|3,0,0]=3 104 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,0,0,0,0,0|3,0,0]=3 105 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,0,0,0,0,0|3,0,0]=3 106 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,0,0,0,0|0,0,2]=3 107 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,0,0,0,0|0,0,2]=3 108 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,0,0,0,0|0,0,2]=3 109 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|2,0,0]=3 112 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|2,0,0]=3 113 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|2,0,0]=3 114 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|2,0,0]=3 118 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|2,0,0]=3 119 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|0,0,2]=3 130 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|0,0,2]=3 131 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|0,0,2]=3 132 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|0,0,2]=3 133 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|0,0,2]=3 134 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|1,0,2]=4 135 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|1,0,2]=4 136 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|1,0,2]=4 137 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,0,0,0,0|1,0,1]=3 138 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,0,0,0,0|1,0,1]=3 139 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|1,0,0]=2 140 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|1,0,0]=2 141 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|1,0,0]=2 142 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|1,0,0]=2 143 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,0,0,0,0|2,0,1]=4 146 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,0,0,0,0|2,0,1]=4 148 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,0,0,0,0,0|2,0,1]=4 150 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,0,0,0,0|1,0,2]=4 151 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|1,0,2]=4 152 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,0,0,0,0|1,0,2]=4 153 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,0,0,0,0|1,0,2]=4 154 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|0,0,2]=3 155 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|0,0,2]=3 156 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|0,0,0]=1 157 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|0,0,0]=1 158 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|0,0,0]=1 159 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|2,0,0]=3 160 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|2,0,0]=3 161 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|2,0,0]=3 162 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|2,0,0]=3 163 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|2,0,0]=3 164 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|2,0,0]=3 165 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|1,0,0]=2 166 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|1,0,0]=2 167 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|1,0,0]=2 168 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,0,0,0,0|2,0,1]=4 169 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|2,0,1]=4 172 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|2,0,1]=4 173 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,0,0,0,0,0|3,0,0]=4 176 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,0,0,0,0,0|3,0,0]=4 177 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,0,0,0,0,0|3,0,0]=4 178 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,0,0,0,0,0|3,0,0]=4 179 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,0,0,0,0,0|3,0,0]=4 180 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,0,0,0,0,0|3,0,0]=4 181 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,0,0,0,0,0|3,0,0]=4 182 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,0,0,0,0,0|3,0,0]=4 183 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|2,0,0]=3 184 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|2,0,0]=3 185 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|2,0,0]=3 186 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|2,0,0]=3 187 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|2,0,0]=3 188 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|2,0,0]=3 189 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,0,0,0,0|2,0,1]=4 190 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,0,0,0,0|2,0,1]=4 191 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,0,0,0,0|2,0,1]=4 192 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,0,0,0,0|2,0,1]=4 193 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,0,0,0,0|2,0,1]=4 194 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,0,0,0,0|2,0,1]=4 195 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,0,0,0,0|1,0,2]=4 196 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,0,0,0,0|1,0,2]=4 197 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,0,0,0,0|1,0,2]=4 198 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,0,0,0,0|1,0,2]=4 199 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,0,0,0,0|1,0,2]=4 200 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,0,0,0,0|1,0,2]=4 201 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,0,0,0,0|1,0,2]=4 202 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,0,0,0,0|1,0,2]=4 203 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [1,0,0,0,0,0|3,0,0]=4 204 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|2,0,0]=3 205 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|1,0,0]=2 206 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|1,0,0]=2 207 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,0,0]=3 208 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|1,0,0]=2 209 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|2,0,0]=3 210 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,0,0,0,0,0|2,0,1]=4 211 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,0,0,0,0|2,0,1]=4 213 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,0,0,0,0,0|2,0,1]=4 214 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,0,0,0,0|1,0,2]=4 215 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,0,0,0,0,0|3,0,0]=4 216 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,0,0,0,0,0|3,0,0]=4 217 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,0,0,0,0,0|2,0,1]=4 218 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,0,0,0,0|2,0,1]=4 219 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,0,0,0,0|1,0,2]=4 220 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [1,0,0,0,0,0|3,0,0]=4 221 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|1,0,0]=2 222 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|2,0,0]=3 223 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|2,0,0]=3 224 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|1,0,0]=2 225 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|2,0,0]=3 226 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|2,0,0]=3 227 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,0,0,0,0|2,0,1]=4 228 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,0,0,0,0|2,0,1]=4 229 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,0,0,0,0|1,0,2]=4 230 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,0,0,0,0|1,0,2]=4 231 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,0,0,0,0,0|3,0,0]=4 232 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,0,0,0,0,0|3,0,0]=4 233 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,0,0,0,0|1,0,2]=4 234 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,0,0,0,0|1,0,2]=4 235 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [1,0,0,0,0,0|3,0,0]=4 236 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,0,0,0,0,0|2,0,1]=4 237 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,0,0,0,0|2,0,1]=4 238 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,0,0,0,0|1,0,2]=4 239 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,0,0,0,0|1,0,2]=4 240 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|1,0,2]=4 241 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|1,0,2]=4 242 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|1,0,2]=4 243 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,0,0,0,0|1,0,1]=3 244 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|1,0,0]=2 245 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|2,0,0]=3 246 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|2,0,0]=3 247 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|2,0,0]=3 248 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|2,0,0]=3 249 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|2,0,0]=3 250 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|2,0,0]=3 251 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [1,0,0,0,0,0|3,0,0]=4 252 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,0,0,0,0|0,1,2]=4 253 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,0,0,0,0|2,0,1]=4 254 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,0,0,0,0|2,0,1]=4 255 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,0,0,0,0|2,0,1]=4 256 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,0,0,0,0|2,0,1]=4 257 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,0,0,0,0|3,0,0]=4 258 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,0,0,0,0|3,0,0]=4 259 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|3,0,0]=4 260 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,0,0,0,0,0|3,0,0]=4 261 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,0,0,0,0|0,1,2]=4 262 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,0,0,0,0|1,1,1]=4 263 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,0,0,0,0|1,1,1]=4 264 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,0,0,0,0|1,1,1]=4 265 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,0,0,0,0|1,1,1]=4 266 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|2,0,0]=3 267 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|2,0,0]=3 268 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|2,0,0]=3 269 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|2,0,0]=3 270 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|2,0,0]=3 271 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|2,0,0]=3 272 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|2,0,0]=3 273 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|2,0,0]=3 274 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|2,0,0]=3 275 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|2,0,0]=3 276 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|2,0,0]=3 277 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|2,0,0]=3 278 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|2,0,1]=4 279 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|2,0,1]=4 280 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|2,0,1]=4 281 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|2,0,1]=4 282 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|2,0,1]=4 283 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|2,0,1]=4 284 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|2,0,1]=4 285 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|2,0,1]=4 286 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,0,0,0,0,0|3,0,0]=4 287 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,0,0,0,0,0|3,0,0]=4 288 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,0,0,0,0,0|3,0,0]=4 289 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,0,0,0,0,0|3,0,0]=4 290 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,0,0,0,0|3,0,0]=4 291 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,0,0,0,0|3,0,0]=4 292 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,0,0,0,0|3,0,0]=4 293 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,0,0,0,0|3,0,0]=4 294 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,0,0,0,0|3,0,0]=4 295 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,0,0,0,0|3,0,0]=4 296 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,0,0,0,0|3,0,0]=4 297 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,0,0,0,0|3,0,0]=4 298 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,0,0,0,0,0|3,0,0]=4 299 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,0,0,0,0,0|3,0,0]=4 300 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,0,0,0,0,0|3,0,0]=4 301 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,0,0,0,0,0|3,0,0]=4 302 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,0,0,0,0,0|3,0,0]=4 303 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,0,0,0,0,0|3,0,0]=4 304 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,0,0,0,0,0|1,0,1]=3 305 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,0,0,0,0,0|1,0,1]=3 306 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,0,0,0,0|1,0,0]=2 307 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,0,0,0,0|1,0,0]=2 308 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,0,0,0,0|1,0,0]=2 309 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,0,0,0,0,0|1,1,0]=3 310 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,0,0,0,0|2,0,0]=3 311 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,0,0,0,0|2,0,0]=3 312 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,0,0,0,0|2,0,0]=3 313 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,0,0,0,0|2,0,0]=3 314 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,0,0,0,0|0,1,0]=2 315 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,0,0,0,0|0,1,0]=2 316 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,0,0,0,0|1,0,0]=2 317 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,0,0,0,0,0|3,0,0]=4 318 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,0,0,0,0,0|3,0,0]=4 319 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,0,0,0,0,0|3,0,0]=4 320 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,0,0,0,0,0|3,0,0]=4 321 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,0,0,0,0|1,0,0]=2 322 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,0,0,0,0|0,1,0]=2 323 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,0,0,0,0|0,1,0]=2 324 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,0,0,0,0,0|1,1,0]=3 325 B7R0.5 C#CCN(C)C(=O)C 11a_100000225692_100015343762 [0,1,0,0,0,0|2,0,1]=4 326 B7R0.5 C#CCN(C)C(=O)C 1626a_100000225692_100015343762 [0,1,0,0,0,0|2,0,1]=4 327 B7R0.5 C#CCN(C)C(=O)C 527a_100000225692_100103153847 [0,1,0,0,0,0|2,0,1]=4 328 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,0,0,0,0|1,1,1]=4 329 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,1,0,0,0,0|1,1,1]=4 330 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,1,0,0,0,0|1,1,1]=4 331 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,1,0,0,0,0|1,1,1]=4 332 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,1,0,0,0,0|2,0,0]=3 333 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,1,0,0,0,0|1,0,1]=3 334 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,1,0,0,0,0|1,0,1]=3 335 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,1,0,0,0,0|2,0,1]=4 336 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,1,0,0,0,0|2,0,1]=4 337 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,1,0,0,0,0|2,0,1]=4 338 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,1,0,0,0,0|2,0,1]=4 339 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|0,1,1]=3 340 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|0,1,1]=3 341 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,1,0,0,0,0|1,0,1]=3 342 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,0,0,0,0|1,0,0]=2 343 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,0,0,0,0|1,0,0]=2 344 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,0,0,0,0|1,0,0]=2 345 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,1,0,0,0,0|2,0,0]=3 346 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,1,0,0,0,0|2,0,0]=3 347 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,1,0,0,0,0|2,0,0]=3 348 B7R0.5 CC(=O)N(C)CC#N 11a_100000748184_100015343762 [0,1,0,0,0,0|2,0,1]=4 349 B7R0.5 CC(=O)N(C)CC#N 1626a_100000748184_100015343762 [0,1,0,0,0,0|2,0,1]=4 350 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,1,0,0,0,0|2,0,0]=3 351 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,1,0,0,0,0|2,0,0]=3 352 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [0,1,0,0,0,0|1,1,1]=4 353 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [0,1,0,0,0,0|1,1,1]=4 354 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,1,0,0,0,0|2,0,1]=4 355 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [0,1,0,0,0,0|3,0,0]=4 356 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [0,1,0,0,0,0|3,0,0]=4 357 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [0,1,0,0,0,0|3,0,0]=4 358 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [0,1,0,0,0,0|3,0,0]=4 359 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [0,1,0,0,0,0|3,0,0]=4 360 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [0,1,0,0,0,0|3,0,0]=4 361 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,1,0,0,0,0|2,0,0]=3 362 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 34a_100000039676_200025704644 [0,1,0,0,0,0|3,0,0]=4 363 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 7a_100000039676_200025704644 [0,1,0,0,0,0|3,0,0]=4 364 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,1,0,0,0,0|3,0,0]=4 365 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,1,0,0,0,0|3,0,0]=4 366 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,0,0,0,0|1,0,1]=3 367 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,0,0,0,0|1,0,1]=3 368 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,0,0,0,0|1,0,0]=2 369 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,0,0,0,0|1,0,0]=2 370 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,0,0,0,0|1,0,0]=2 371 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,1,0,0,0,0|3,0,0]=4 372 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,1,0,0,0,0|3,0,0]=4 373 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,1,0,0,0,0|3,0,0]=4 374 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,1,0,0,0,0|2,0,0]=3 375 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,1,0,0,0,0|2,0,0]=3 376 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,1,0,0,0,0|2,0,0]=3 377 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,1,0,0,0,0|2,0,0]=3 378 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,0,0,0,0|0,1,0]=2 379 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,1,0,0,0,0|0,1,0]=2 380 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,0,0,0,0|0,1,1]=3 381 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,1,0,0,0,0|1,1,1]=4 382 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,0,0,0,0|0,1,1]=3 383 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,1,0,0,0,0|1,0,0]=2 384 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,1,0,0,0,0|2,0,0]=3 385 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,1,0,0,0,0|2,0,1]=4 386 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,1,0,0,0,0|2,0,0]=3 387 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,1,0,0,0,0|2,0,0]=3 388 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,1,0,0,0,0|2,0,0]=3 389 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,1,0,0,0,0|2,0,0]=3 390 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,0,0,0,0|1,0,0]=2 391 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,0,0,0,0|1,0,0]=2 392 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,1,0,0,0,0|2,0,0]=3 393 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,0,0,0,0|1,0,0]=2 394 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,1,0,0,0,0|2,0,1]=4 395 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,1,0,0,0,0|2,0,0]=3 396 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,1,0,0,0,0|2,0,0]=3 397 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,1,0,0,0,0|2,0,0]=3 398 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,1,0,0,0,0|2,0,0]=3 399 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,1,0,0,0,0|2,0,0]=3 400 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,1,0,0,0,0|1,0,0]=2 401 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,1,0,0,0,0|1,0,0]=2 402 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,1,0,0,0,0|1,0,0]=2 403 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,1,0,0,0,0|2,0,0]=3 404 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,1,0,0,0,0|2,0,0]=3 405 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,1,0,0,0,0|1,0,0]=2 406 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,1,0,0,0,0|2,0,0]=3 407 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,1,0,0,0,0|2,0,0]=3 408 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,1,0,0,0,0|2,0,0]=3 409 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,1,0,0,0,0|2,0,0]=3 410 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|0,1,1]=3 411 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,1,0,0,0,0|2,0,0]=3 412 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,1,0,0,0,0|2,0,0]=3 413 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [0,1,0,0,0,0|1,1,1]=4 414 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [0,1,0,0,0,0|1,1,1]=4 415 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,1,0,0,0,0|2,0,1]=4 416 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|0,1,1]=3 418 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,0,0,0,0|1,0,0]=2 419 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,0,0,0,0|1,0,0]=2 420 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,0,0,0,0|1,0,0]=2 421 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,0,0,0,0|1,0,0]=2 422 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,0,0,0,0|1,0,0]=2 423 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,1,0,0,0,0|3,0,0]=4 424 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,1,0,0,0,0|3,0,0]=4 425 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,1,0,0,0,0|3,0,0]=4 426 B7R0.5 COCC(C)[N+](=O)[O-] 34a_100000039676_200000210301 [0,1,0,0,0,0|3,0,0]=4 427 B7R0.5 COCC(C)[N+](=O)[O-] 7a_100000039676_200000210301 [0,1,0,0,0,0|3,0,0]=4 428 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|2,0,0]=3 429 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,1,0,0,0,0|2,0,1]=4 430 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|0,1,1]=3 431 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|0,1,1]=3 432 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,1,0,0,0,0|1,0,0]=2 433 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,1,0,0,0,0|1,0,0]=2 434 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [0,1,0,0,0,0|3,0,0]=4 435 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,1,0,0,0,0|3,0,0]=4 436 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,1,0,0,0,0|3,0,0]=4 437 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,1,0,0,0,0|3,0,0]=4 438 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,1,0,0,0,0|3,0,0]=4 439 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,1,0,0,0,0|3,0,0]=4 440 B7R0.5 NC(=O)C(F)SCF 62a_100009813875_100015361967 [0,1,0,0,0,0|3,0,0]=4 441 B7R0.5 NC(=O)C(F)SCF 62a_100015361967_100009813875 [0,1,0,0,0,0|3,0,0]=4 442 B7R0.5 O=C([O-])C(F)SCF 62a_100015361967_100020610796 [0,1,0,0,0,0|3,0,0]=4 443 B7R0.5 O=C([O-])C(F)SCF 62a_100020610796_100015361967 [0,1,0,0,0,0|3,0,0]=4 444 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,1,0,0,0,0|2,0,0]=3 445 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|2,0,0]=3 446 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,1,0,0,0,0|1,0,1]=3 447 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,1,0,0,0,0|1,0,2]=4 448 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [0,1,0,0,0,0|1,0,2]=4 449 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,0,0,0,0|1,0,2]=4 450 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,1,0,0,0,0|1,0,2]=4 451 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,0,0,0,0|1,0,2]=4 452 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,0,0,0,0|1,0,2]=4 453 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,1,0,0,0,0|3,0,0]=4 454 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,0,0,0,0|1,0,1]=3 455 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,1,0,0,0,0|2,0,1]=4 456 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,1,0,0,0,0|2,0,1]=4 457 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,0,0,0,0|1,0,2]=4 458 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [0,1,0,0,0,0|1,0,2]=4 459 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,1,0,0,0,0|1,0,2]=4 460 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,1,0,0,0,0|1,0,2]=4 461 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,1,0,0,0,0|1,0,2]=4 462 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,1,0,0,0,0|1,0,2]=4 463 B7R0.10 CC(C#N)C(=O)CF 1458a_100000753662_100015361967 [0,1,0,0,0,0|2,0,1]=4 464 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [0,1,0,0,0,0|2,0,1]=4 465 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [0,1,0,0,0,0|3,0,0]=4 466 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,0,0,0,0|0,1,1]=3 467 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,1,0,0,0,0|2,0,1]=4 468 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,1,0,0,0,0|2,0,1]=4 469 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|1,0,0]=2 470 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|1,0,0]=2 471 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,0,0,0,0|2,0,0]=3 472 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,0,0,0,0|2,0,0]=3 473 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,0,0,0,0|2,0,0]=3 474 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,0,0,0,0|2,0,0]=3 475 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,0,0,0,0|2,0,0]=3 476 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,0,0,0,0|2,0,0]=3 477 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,0,0,0,0|2,0,0]=3 478 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,0,0,0,0|2,0,0]=3 479 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,0,0,0,0|0,1,0]=2 480 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,0,0,0,0|1,1,0]=3 481 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 482 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 483 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 484 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 485 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,0,0,0,0|1,0,0]=2 486 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|1,0,0]=2 487 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,0,0,0,0|1,0,0]=2 488 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,0,0,0,0|1,0,0]=2 489 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,0,0,0,0|1,0,0]=2 490 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,0,0,0,0|1,0,0]=2 491 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,1,0,0,0,0|2,0,1]=4 492 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,1,0,0,0,0|2,0,1]=4 493 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,1,0,0,0,0|1,0,2]=4 494 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,1,0,0,0,0|1,0,2]=4 495 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,1,0,0,0,0|3,0,0]=4 496 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,1,0,0,0,0|3,0,0]=4 497 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,1,0,0,0,0|3,0,0]=4 498 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,1,0,0,0,0|3,0,0]=4 499 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,1,0,0,0,0|3,0,0]=4 500 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,1,0,0,0,0|3,0,0]=4 501 B7R0.10 CCC(C)N(C)CF 269982a_100000741768_100015361967 [0,1,0,0,0,0|3,0,0]=4 502 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,1,0,0,0,0|3,0,0]=4 503 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,1,0,0,0,0|3,0,0]=4 504 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,0,0,0,0|0,1,0]=2 505 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,0,0,0,0|0,1,0]=2 506 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,0,0,0,0|2,0,0]=3 507 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,0,0,0,0|2,0,0]=3 508 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,1,0,0,0,0|2,0,0]=3 509 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,1,0,0,0,0|2,0,0]=3 510 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,1,0,0,0,0|1,1,1]=4 511 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,1,0,0,0,0|1,1,1]=4 512 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,1,0,0,0,0|1,1,1]=4 513 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,1,0,0,0,0|1,1,1]=4 514 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,1,0,0,0,0|1,1,1]=4 515 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,1,0,0,0,0|1,1,1]=4 516 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,1,0,0,0,0|1,1,1]=4 517 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,1,0,0,0,0|1,1,1]=4 518 B7R0.10 CNC(=O)C(C)C#N 11a_106832991635_100000753662 [0,1,0,0,0,0|2,0,1]=4 519 B7R0.10 CNC(=O)C(C)C#N 1626a_100102657272_100000753662 [0,1,0,0,0,0|2,0,1]=4 520 B7R0.10 CNC(=O)C(C)C#N 240690a_100102657272_100000753662 [0,1,0,0,0,0|2,0,1]=4 521 B7R0.10 CNC(=O)C(C)C#N 527a_100102657272_100000753662 [0,1,0,0,0,0|2,0,1]=4 522 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,1,0,0,0,0|2,0,0]=3 523 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,1,0,0,0,0|2,0,0]=3 524 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,1,0,0,0,0|2,0,0]=3 525 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,1,0,0,0,0|2,0,0]=3 526 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,1,0,0,0,0|2,0,0]=3 527 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,1,0,0,0,0|2,0,0]=3 528 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,1,0,0,0,0|2,0,0]=3 529 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,1,0,0,0,0|2,0,0]=3 530 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,1,0,0,0,0|2,0,0]=3 531 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,1,0,0,0,0|2,0,0]=3 532 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,1,0,0,0,0|2,0,0]=3 533 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,1,0,0,0,0|2,0,0]=3 534 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,1,0,0,0,0|2,0,0]=3 535 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,1,0,0,0,0|2,0,0]=3 536 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,1,0,0,0,0|2,0,0]=3 537 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,1,0,0,0,0|2,0,0]=3 538 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,1,0,0,0,0|2,0,0]=3 539 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,1,0,0,0,0|2,0,0]=3 540 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,1,0,0,0,0|2,0,0]=3 541 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,1,0,0,0,0|2,0,0]=3 542 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [0,1,0,0,0,0|2,0,0]=3 543 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [0,1,0,0,0,0|2,0,0]=3 544 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [0,1,0,0,0,0|2,0,0]=3 545 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [0,1,0,0,0,0|2,0,0]=3 546 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,1,0,0,0,0|1,1,0]=3 547 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,1,0,0,0,0|2,0,0]=3 548 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,1,0,0,0,0|2,0,0]=3 549 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,1,0,0,0,0|2,0,0]=3 550 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,1,0,0,0,0|2,0,0]=3 551 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,1,0,0,0,0|2,0,0]=3 552 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,1,0,0,0,0|2,0,0]=3 553 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,1,0,0,0,0|2,0,0]=3 554 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,1,0,0,0,0|2,0,0]=3 555 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,1,0,0,0,0|2,0,0]=3 556 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,1,0,0,0,0|2,0,0]=3 557 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,1,0,0,0,0|2,0,0]=3 558 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,1,0,0,0,0|2,0,0]=3 559 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,1,0,0,0,0|2,0,0]=3 560 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,1,0,0,0,0|2,0,0]=3 561 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,1,0,0,0,0|2,0,0]=3 562 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [0,1,0,0,0,0|3,0,0]=4 563 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,1,0,0,0,0|2,0,0]=3 564 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,1,0,0,0,0|1,1,0]=3 565 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000070787_100000038118 [0,1,0,0,0,0|1,0,2]=4 566 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000079900_200000210301 [0,1,0,0,0,0|1,0,2]=4 567 B7R0.13 C#CC(C)(C)C(=O)[13CH3] 1458a_100000079900_200025704644 [0,1,0,0,0,0|1,0,2]=4 568 B7R0.13 C=CC(C)(C)C(=O)C 1458a_100012027013_200000210301 [0,1,0,0,0,0|1,0,2]=4 569 B7R0.13 C=CC(C)(C)C(=O)[13CH3] 1458a_100012027013_200025704644 [0,1,0,0,0,0|1,0,2]=4 570 B7R0.13 CC(=O)C(C)(C)C#N 1458a_100000740761_200000210301 [0,1,0,0,0,0|2,0,1]=4 571 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [0,1,0,0,0,0|2,0,0]=3 572 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,1,0,0,0,0|2,0,0]=3 573 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,1,0,0,0,0|2,0,0]=3 574 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,1,0,0,0,0|2,0,0]=3 575 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,1,0,0,0,0|2,0,0]=3 576 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,1,0,0,0,0|2,0,0]=3 577 B7R0.13 CC(C)(C#N)C(=O)[13CH3] 1458a_100000740761_200025704644 [0,1,0,0,0,0|2,0,1]=4 578 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [0,1,0,0,0,0|2,0,0]=3 579 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,1,0,0,0,0|2,0,0]=3 580 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [0,1,0,0,0,0|3,0,0]=4 581 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [0,1,0,0,0,0|3,0,0]=4 582 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [0,1,0,0,0,0|3,0,0]=4 583 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [0,1,0,0,0,0|3,0,0]=4 584 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [0,1,0,0,0,0|3,0,0]=4 585 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [0,1,0,0,0,0|3,0,0]=4 586 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,1,0,0,0,0|1,0,0]=2 587 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,1,0,0,0,0|1,0,0]=2 588 B7R0.13 CCC(C)(C)N(C)C 2230a_200000755171_200000210301 [0,1,0,0,0,0|3,0,0]=4 589 B7R0.13 CCC(C)(C)N(C)C 269982a_100102631434_100000032637 [0,1,0,0,0,0|3,0,0]=4 590 B7R0.13 CCC(C)(C)N(C)C 269982a_200000755171_200000210301 [0,1,0,0,0,0|3,0,0]=4 591 B7R0.13 CCC(C)(C)N(C)[13CH3] 2230a_200000755171_200025704644 [0,1,0,0,0,0|3,0,0]=4 592 B7R0.13 CCC(C)(C)N(C)[13CH3] 269982a_200000755171_200025704644 [0,1,0,0,0,0|3,0,0]=4 593 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,1,0,0,0,0|0,1,0]=2 594 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,1,0,0,0,0|0,1,0]=2 595 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,1,0,0,0,0|1,0,0]=2 596 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,1,0,0,0,0|1,0,0]=2 597 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,1,0,0,0,0|2,0,0]=3 598 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [0,1,0,0,0,0|3,0,0]=4 599 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [0,1,0,0,0,0|3,0,0]=4 600 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [0,1,0,0,0,0|3,0,0]=4 601 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [0,1,0,0,0,0|3,0,0]=4 602 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [0,1,0,0,0,0|3,0,0]=4 603 B7R0.13 CNC(F)(F)C(=O)N 7a_106832991635_100009811971 [0,1,0,0,0,0|3,0,0]=4 604 B7R0.13 CNC(F)(F)C(=O)[O-] 34a_100102657272_100020612412 [0,1,0,0,0,0|3,0,0]=4 605 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,1,0,0,0,0|2,0,0]=3 606 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,1,0,0,0,0|2,0,0]=3 607 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,1,0,0,0,0|2,0,0]=3 608 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [0,1,0,0,0,0|3,0,0]=4 609 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [0,1,0,0,0,0|3,0,0]=4 610 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [0,1,0,0,0,0|3,0,0]=4 611 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,1,0,0,0,0|2,0,0]=3 612 B7R0.13 COC(F)(F)C(=O)[O-] 34a_100138415774_100020612412 [0,1,0,0,0,0|3,0,0]=4 613 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,1,0,0,0,0|2,0,0]=3 614 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,1,0,0,0,0|2,0,0]=3 615 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [0,1,0,0,0,0|3,0,0]=4 616 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [0,1,0,0,0,0|3,0,0]=4 617 B7R0.13 CSC(F)(F)C(=O)N 62a_100009811971_200000210301 [0,1,0,0,0,0|3,0,0]=4 618 B7R0.13 CSC(F)(F)C(=O)N 62a_200000210301_100009811971 [0,1,0,0,0,0|3,0,0]=4 619 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_100000745680_200000210301 [0,1,0,0,0,0|3,0,0]=4 620 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_200000210301_100000745680 [0,1,0,0,0,0|3,0,0]=4 621 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_100009811971_200025704644 [0,1,0,0,0,0|3,0,0]=4 622 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_200025704644_100009811971 [0,1,0,0,0,0|3,0,0]=4 623 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_100000745680_200025704644 [0,1,0,0,0,0|3,0,0]=4 624 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_200025704644_100000745680 [0,1,0,0,0,0|3,0,0]=4 625 B7R0.14 CCN(C)S(=O)(=O)C 40a_100000225621_100000738038 [0,1,0,0,0,0|3,0,0]=4 626 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,1,0,0,0,0|3,0,0]=4 627 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,1,0,0,0,0|3,0,0]=4 628 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,1,0,0,0,0|1,0,0]=2 629 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,1,0,0,0,0|1,0,0]=2 630 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,1,0,0,0,0|1,0,0]=2 631 B7R0.15 CCC(CC)N(C)C 2230a_100000737045_200000210301 [0,1,0,0,0,0|3,0,0]=4 632 B7R0.15 CCC(CC)N(C)C 269982a_100000737045_200000210301 [0,1,0,0,0,0|3,0,0]=4 633 B7R0.15 CCC(CC)N(C)C 269982a_100102631434_100000210505 [0,1,0,0,0,0|3,0,0]=4 634 B7R0.15 CCC(CC)N(C)C 270004a_100102631434_100000210860 [0,1,0,0,0,0|3,0,0]=4 635 B7R0.15 CCC(CC)N(C)[13CH3] 2230a_100000737045_200025704644 [0,1,0,0,0,0|3,0,0]=4 636 B7R0.15 CCC(CC)N(C)[13CH3] 269982a_100000737045_200025704644 [0,1,0,0,0,0|3,0,0]=4 637 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,1,0,0,0,0|2,0,0]=3 638 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,1,0,0,0,0|2,0,0]=3 639 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,1,0,0,0,0|2,0,0]=3 640 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,1,0,0,0,0|2,0,0]=3 641 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,1,0,0,0,0|2,0,0]=3 642 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [0,1,0,0,0,0|2,0,1]=4 643 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,1,0,0,0,0|2,0,0]=3 644 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,1,0,0,0,0|2,0,0]=3 645 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,1,0,0,0,0|0,1,0]=2 646 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,1,0,0,0,0|1,1,0]=3 647 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,1,0,0,0,0|0,1,0]=2 648 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,1,0,0,0,0|1,1,1]=4 649 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,1,0,0,0,0|1,1,1]=4 650 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,1,0,0,0,0|1,1,1]=4 651 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,1,0,0,0,0|1,1,1]=4 652 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,1,0,0,0,0|1,0,0]=2 653 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,1,0,0,0,0|1,0,0]=2 654 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,1,0,0,0,0|1,0,0]=2 655 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,1,0,0,0,0|1,0,0]=2 656 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,1,0,0,0,0|2,0,0]=3 657 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,1,0,0,0,0|2,0,0]=3 658 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,1,0,0,0,0|2,0,0]=3 659 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,1,0,0,0,0|2,0,0]=3 660 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,1,0,0,0,0|2,0,0]=3 661 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,1,0,0,0,0|2,0,0]=3 662 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,1,0,0,0,0|1,0,2]=4 663 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,1,0,0,0,0|1,0,2]=4 664 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,1,0,0,0,0|1,0,2]=4 665 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,1,0,0,0,0|1,0,2]=4 666 B7R0.15 CNC(C#N)C(=O)N 2230a_100000039599_200000210301 [0,1,0,0,0,0|3,0,0]=4 667 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,1,0,0,0,0|2,1,0]=4 668 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,1,0,0,0,0|2,1,0]=4 669 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|2,1,0]=4 670 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,1,0,0,0,0|1,1,0]=3 671 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,1,0,0,0,0|1,1,0]=3 672 B7R0.15 [13CH3]NC(C#N)C(=O)N 2230a_100000039599_200025704644 [0,1,0,0,0,0|3,0,0]=4 673 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,1,0,0,0,0|2,1,0]=4 674 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,1,0,0,0,0|2,1,0]=4 675 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|2,1,0]=4 676 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,1,0,0,0,0|1,1,1]=4 677 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,0,0,0,0|1,1,1]=4 678 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,1,0,0,0,0|1,0,1]=3 679 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,1,0,0,0,0|2,0,1]=4 680 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,0,0,0,0|1,0,0]=2 681 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,1,0,0,0,0|2,0,0]=3 682 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,1,0,0,0,0|2,0,0]=3 683 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,1,0,0,0,0|2,0,1]=4 684 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,1,0,0,0,0|2,0,1]=4 685 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,0,0,0,0|2,0,0]=3 686 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,0,0,0,0|2,0,0]=3 687 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,0,0,0,0|2,0,0]=3 688 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,0,0,0,0|2,0,0]=3 689 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,1,0,0,0,0|2,0,0]=3 690 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,0,0,0,0|0,1,0]=2 691 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,1,0,0,0,0|3,0,0]=4 692 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,1,0,0,0,0|3,0,0]=4 693 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,0,0,0,0|3,0,0]=4 694 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,0,0,0,0|3,0,0]=4 695 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,0,0,0,0|1,0,0]=2 696 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [0,1,0,0,0,0|3,0,0]=4 697 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [0,1,0,0,0,0|3,0,0]=4 698 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [0,1,0,0,0,0|3,0,0]=4 699 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [0,1,0,0,0,0|3,0,0]=4 700 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,0,0,0,0|0,1,0]=2 701 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,0,0,0,0|1,1,1]=4 702 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,1,0,0,0,0|3,0,0]=4 703 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,1,0,0,0,0|3,0,0]=4 704 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,1,0,0,0,0|2,0,0]=3 705 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 706 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 707 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 708 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 709 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 710 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 711 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,1,0,0|3,0,0]=4 712 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,1,0,0|3,0,0]=4 713 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,1,0,0|3,0,0]=4 714 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,1,0,0|3,0,0]=4 715 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,0,0,1,0,0|2,0,0]=3 716 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,0,0,1,0,0|2,0,0]=3 717 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,0,0,1,0,0|2,0,0]=3 718 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,0,0,1,0,0|2,0,0]=3 719 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,0,0,1,0,0|2,0,0]=3 720 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,0,0,1,0,0|2,0,0]=3 721 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,0,0,1,0,0|2,0,0]=3 722 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,0,1,0,0|1,0,0]=2 723 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,0,0,1,0,0|2,0,0]=3 724 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,0,1,0,0|1,0,0]=2 725 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,0,0,1,0,0|2,0,0]=3 726 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,0,1,0,0|1,0,0]=2 727 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,0,1,0,0|1,0,0]=2 728 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,0,1,0,0|0,1,0]=2 729 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,0,1,0,0|2,0,0]=3 730 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,0,1,0,0|2,0,0]=3 731 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,0,1,0,0|2,0,0]=3 732 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,0,1,0,0|2,0,0]=3 733 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,0,1,0,0|2,0,0]=3 734 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [0,0,0,1,0,0|3,0,0]=4 735 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [0,0,0,1,0,0|3,0,0]=4 736 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [0,0,0,1,0,0|3,0,0]=4 737 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [0,0,0,1,0,0|3,0,0]=4 738 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [0,0,0,1,0,0|3,0,0]=4 739 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [0,0,0,1,0,0|3,0,0]=4 740 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [0,0,0,1,0,0|3,0,0]=4 741 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [0,0,0,1,0,0|3,0,0]=4 742 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,0,1,0,0|1,0,0]=2 743 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,0,1,0,0|0,1,0]=2 744 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,0,1,0,0|2,0,0]=3 745 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,0,0,1,0,0|1,0,0]=2 746 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,0,0,1,0,0|1,0,0]=2 747 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,0,0,1,0,0|0,1,0]=2 748 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,0,0,1,0,0|1,0,0]=2 749 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,0,0,1,0,0|1,0,0]=2 750 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,0,0,1,0,0|0,1,0]=2 751 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,0,0,0,0,1|1,0,2]=4 752 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,0,0,0,0,1|1,0,2]=4 753 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,0,0,0,0,1|1,0,2]=4 754 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,0,0,0,0,1|1,0,2]=4 755 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,0,0,0,0,1|1,1,1]=4 756 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,0,0,0,0,1|3,0,0]=4 757 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,0,0,0,0,1|3,0,0]=4 758 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,0,0,0,0,1|3,0,0]=4 759 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,0,0,0,0,1|3,0,0]=4 760 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,0,0,0,0,1|3,0,0]=4 761 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,0,0,0,0,1|3,0,0]=4 762 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,0,0,0,0,1|3,0,0]=4 763 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,0,0,0,0,1|3,0,0]=4 764 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,0,0,0,0,1|1,0,2]=4 765 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,0,0,0,0,1|1,0,2]=4 766 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,0,0,0,0,1|3,0,0]=4 767 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,0,0,0,0,1|2,0,0]=3 768 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,0,0,0,0,1|2,0,1]=4 769 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,0,0,0,0,1|2,0,1]=4 770 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,0,0,0,0,1|2,0,1]=4 771 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,0,0,0,0,1|2,0,0]=3 772 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,0,0,0,0,1|2,0,0]=3 773 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,0,0,0,0,1|2,0,0]=3 774 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,0,0,0,0,1|2,0,0]=3 775 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,0,0,0,0,1|2,0,0]=3 776 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,0,0,0,0,1|2,0,0]=3 777 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,0,0,0,0,1|2,0,0]=3 778 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,0,0,0,0,1|2,0,0]=3 779 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,0,0,0,0,1|1,0,1]=3 780 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,0,0,0,0,1|1,0,1]=3 781 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,0,0,0,0,1|1,1,1]=4 782 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,0,0,0,0,1|1,1,1]=4 783 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,0,0,0,0,1|1,1,1]=4 784 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,0,1|0,1,1]=3 785 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,0,0,0,0,1|1,1,1]=4 786 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,0,0,0,0,1|1,1,1]=4 787 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,0,0,0,0,1|1,1,1]=4 788 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,0,0,0,0,1|1,0,0]=2 789 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,0,0,0,0,1|1,0,0]=2 790 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,0,0,0,0,1|1,0,0]=2 791 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,0,0,0,0,1|3,0,0]=4 792 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,0,0,0,0,1|3,0,0]=4 793 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,0,0,0,0,1|3,0,0]=4 794 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,0,0,0,0,1|3,0,0]=4 795 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,0,0,0,0,1|3,0,0]=4 796 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,0,0,0,0,1|3,0,0]=4 797 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,0,0,0,0,1|3,0,0]=4 798 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,0,0,0,0,1|1,0,0]=2 799 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,0,0,0,0,1|1,0,0]=2 800 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,0,0,0,0,1|1,0,0]=2 801 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,0,0,0,0,1|1,0,0]=2 802 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,0,0,0,0,1|2,0,1]=4 803 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,0,0,0,0,1|2,0,1]=4 804 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,0,0,0,0,1|2,0,1]=4 805 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,0,0,0,0,1|2,0,1]=4 806 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,0,0,0,0,1|2,0,1]=4 807 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,0,0,0,0,1|2,0,1]=4 808 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,0,0,0,0,1|2,0,1]=4 809 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,0,0,0,0,1|0,1,0]=2 810 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,0,0,0,0,1|0,1,0]=2 811 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,0,0,0,0,1|0,1,0]=2 812 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [0,0,0,0,0,1|2,1,0]=4 813 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [0,0,0,0,0,1|2,1,0]=4 814 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,0,0,0,0,1|2,0,0]=3 815 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,0,0,0,0,1|3,0,0]=4 816 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,0,0,0,0,1|3,0,0]=4 817 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,0,0,0,0,1|3,0,0]=4 818 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,0,0,0,0,1|3,0,0]=4 819 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,0,0,0,0,1|3,0,0]=4 820 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,0,0,0,0,1|2,0,0]=3 821 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,0,0,0,0,1|3,0,0]=4 822 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,0,0,0,0,1|3,0,0]=4 823 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,0,0,0,0,1|1,0,0]=2 824 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,0,0,0,0,1|3,0,0]=4 825 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,0,0,0,0,1|3,0,0]=4 826 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,0,0,0,0,1|1,1,1]=4 827 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,0,0,0,0,1|1,1,1]=4 828 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,0,0,0,0,1|1,1,1]=4 829 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,0,0,0,0,1|1,1,1]=4 830 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,0,0,0,0,1|3,0,0]=4 831 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,0,0,0,0,1|2,0,0]=3 832 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,0,0,0,0,1|2,0,0]=3 833 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [2,0,0,0,0,0|0,0,2]=4 834 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [2,0,0,0,0,0|0,0,2]=4 835 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|0,0,2]=4 836 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|0,0,2]=4 837 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,0]=3 838 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|0,1,0]=3 839 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [2,0,0,0,0,0|2,0,0]=4 840 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [2,0,0,0,0,0|2,0,0]=4 841 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|2,0,0]=4 842 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [2,0,0,0,0,0|2,0,0]=4 843 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [2,0,0,0,0,0|2,0,0]=4 844 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,0]=2 845 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,0]=2 846 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,0]=2 847 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|2,0,0]=4 848 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|2,0,0]=4 849 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|2,0,0]=4 850 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|2,0,0]=4 851 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|2,0,0]=4 852 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|2,0,0]=4 853 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,0]=3 854 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 855 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 856 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,0]=3 857 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [2,0,0,0,0,0|2,0,0]=4 858 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [2,0,0,0,0,0|2,0,0]=4 859 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [2,0,0,0,0,0|2,0,0]=4 860 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [2,0,0,0,0,0|2,0,0]=4 861 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [2,0,0,0,0,0|2,0,0]=4 862 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|2,0,0]=4 863 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|2,0,0]=4 864 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [2,0,0,0,0,0|2,0,0]=4 865 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [2,0,0,0,0,0|2,0,0]=4 866 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|0,1,0]=3 867 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 868 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 869 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 870 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 871 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 872 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|1,0,1]=4 873 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|1,0,1]=4 874 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|1,0,1]=4 875 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|1,0,1]=4 876 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|1,0,1]=4 877 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|1,0,1]=4 878 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|1,0,1]=4 879 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 880 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,0]=3 881 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 882 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|1,0,0]=3 883 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|1,0,0]=3 884 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|1,0,0]=3 885 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|1,0,0]=3 886 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|1,0,0]=3 887 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|1,0,0]=3 888 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|1,0,0]=3 889 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|1,0,1]=4 890 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|1,0,1]=4 891 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|1,0,1]=4 892 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 893 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,0]=3 894 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 895 B4R0.2 CNCCF 2230a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 896 B4R0.2 CNCCF 34a_100000724931_200000210301 [2,0,0,0,0,0|2,0,0]=4 897 B4R0.2 CNCCF 34a_100102657272_100011217306 [2,0,0,0,0,0|2,0,0]=4 898 B4R0.2 CNCCF 7a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 899 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|2,0,0]=4 900 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|2,0,0]=4 901 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|2,0,0]=4 902 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|2,0,0]=4 903 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|2,0,0]=4 904 B4R0.2 CNCOC 2230a_106832991635_100000766300 [2,0,0,0,0,0|2,0,0]=4 905 B4R0.2 CNCSC 2230a_106832991635_100011218213 [2,0,0,0,0,0|2,0,0]=4 906 B4R0.2 CNCSC 34a_100102657272_100011218213 [2,0,0,0,0,0|2,0,0]=4 907 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,0]=3 908 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|2,0,0]=4 909 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|2,0,0]=4 910 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|2,0,0]=4 911 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|2,0,0]=4 912 B4R0.2 COCSC 34a_100138415774_100011218213 [2,0,0,0,0,0|2,0,0]=4 913 B4R0.2 COCSC 62a_100000766300_200000210301 [2,0,0,0,0,0|2,0,0]=4 914 B4R0.2 COCSC 62a_200000210301_100000766300 [2,0,0,0,0,0|2,0,0]=4 915 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [2,0,0,0,0,0|2,0,0]=4 916 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [2,0,0,0,0,0|2,0,0]=4 917 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,0]=3 918 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,0]=3 919 B4R0.2 CSCCF 62a_100011217306_200000210301 [2,0,0,0,0,0|2,0,0]=4 920 B4R0.2 CSCCF 62a_200000210301_100011217306 [2,0,0,0,0,0|2,0,0]=4 921 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|2,0,0]=4 922 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|2,0,0]=4 923 B4R0.2 CSCSC 62a_100011218213_200000210301 [2,0,0,0,0,0|2,0,0]=4 924 B4R0.2 CSCSC 62a_200000210301_100011218213 [2,0,0,0,0,0|2,0,0]=4 925 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [2,0,0,0,0,0|2,0,0]=4 926 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [2,0,0,0,0,0|2,0,0]=4 927 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [2,0,0,0,0,0|2,0,0]=4 928 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|2,0,0]=4 929 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|2,0,0]=4 930 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|2,0,0]=4 931 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|2,0,0]=4 932 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,0]=3 933 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,0]=3 934 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [2,0,0,0,0,0|2,0,0]=4 935 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [2,0,0,0,0,0|2,0,0]=4 936 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|2,0,0]=4 937 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|2,0,0]=4 938 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,1,0,0,0,0|0,0,1]=3 939 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [1,1,0,0,0,0|1,0,1]=4 940 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [1,1,0,0,0,0|1,0,1]=4 941 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,1,0,0,0,0|0,0,2]=4 942 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,1,0,0,0,0|0,0,2]=4 943 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [1,1,0,0,0,0|0,0,2]=4 944 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [1,1,0,0,0,0|0,0,2]=4 945 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [1,1,0,0,0,0|0,0,2]=4 946 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [1,1,0,0,0,0|0,0,2]=4 947 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,1,0,0,0,0|0,0,1]=3 948 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,1,0,0,0,0|1,0,1]=4 949 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,1,0,0,0,0|1,0,1]=4 950 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,1,0,0,0,0|1,0,1]=4 951 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,1,0,0,0,0|0,0,2]=4 952 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,1,0,0,0,0|0,0,2]=4 953 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [1,1,0,0,0,0|0,0,2]=4 954 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,1,0,0,0,0|0,0,2]=4 955 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,1,0,0,0,0|0,0,2]=4 956 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,1,0,0,0,0|0,0,2]=4 957 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,1,0,0,0,0|0,0,2]=4 958 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,1,0,0,0,0|0,0,2]=4 959 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,1,0,0,0,0|0,0,2]=4 960 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [1,1,0,0,0,0|0,0,2]=4 961 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,1,0,0,0,0|0,0,2]=4 962 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,1,0,0,0,0|0,0,2]=4 963 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,1,0,0,0,0|0,0,2]=4 964 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,1,0,0,0,0|0,0,2]=4 965 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,1,0,0,0,0|0,0,2]=4 966 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,1,0,0,0,0|1,0,1]=4 967 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,1,0,0,0,0|1,0,1]=4 968 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,1,0,0,0,0|1,0,0]=3 969 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,1,0,0,0,0|1,0,0]=3 970 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,1,0,0,0,0|1,0,0]=3 971 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,1,0,0,0,0|1,0,0]=3 972 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,1,0,0,0,0|1,0,0]=3 973 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,1,0,0,0,0|1,0,0]=3 974 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,1,0,0,0,0|1,0,0]=3 975 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,1,0,0,0,0|1,0,0]=3 976 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,1,0,0,0,0|1,0,0]=3 977 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,1,0,0,0,0|1,0,0]=3 978 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,1,0,0,0,0|1,0,0]=3 979 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,1,0,0,0,0|1,0,0]=3 980 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,1,0,0,0,0|2,0,0]=4 981 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|0,0,0]=2 982 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|0,0,0]=2 983 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,1,0,0,0,0|0,0,0]=2 984 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|0,0,0]=2 985 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,1,0,0,0,0|0,0,0]=2 986 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,1,0,0,0,0|0,0,0]=2 987 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,1,0,0,0,0|0,0,0]=2 988 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,1,0,0,0,0|0,0,0]=2 989 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,1,0,0,0,0|1,0,1]=4 990 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,1,0,0,0,0|1,0,1]=4 991 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,1,0,0,0,0|1,0,1]=4 992 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,1,0,0,0,0|1,0,1]=4 993 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,1,0,0,0,0|1,0,1]=4 994 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,1,0,0,0,0|1,0,1]=4 995 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,1,0,0,0,0|0,0,2]=4 996 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,1,0,0,0,0|0,0,2]=4 997 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,1,0,0,0,0|0,0,2]=4 998 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,1,0,0,0,0|0,0,2]=4 999 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,1,0,0,0,0|0,0,2]=4 1000 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,1,0,0,0,0|0,1,1]=4 1001 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,1,0,0,0,0|0,1,1]=4 1002 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,1,0,0,0,0|0,1,1]=4 1003 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,1,0,0,0,0|0,1,1]=4 1004 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,1,0,0,0,0|2,0,0]=4 1005 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,1,0,0,0,0|2,0,0]=4 1006 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,1,0,0,0,0|2,0,0]=4 1007 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,1,0,0,0,0|2,0,0]=4 1008 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,1,0,0,0,0|2,0,0]=4 1009 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,1,0,0,0,0|2,0,0]=4 1010 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [1,1,0,0,0,0|2,0,0]=4 1011 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,1,0,0,0,0|2,0,0]=4 1012 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,1,0,0,0,0|2,0,0]=4 1013 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,1,0,0,0,0|1,0,0]=3 1014 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,1,0,0,0,0|1,0,0]=3 1015 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,1,0,0,0,0|1,0,0]=3 1016 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|1,0,0]=3 1017 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|1,0,0]=3 1018 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,1,0,0,0,0|1,0,0]=3 1019 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,1,0,0,0,0|1,0,0]=3 1020 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,1,0,0,0,0|1,0,0]=3 1021 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,1,0,0,0,0|1,0,0]=3 1022 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,1,0,0,0,0|1,0,0]=3 1023 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,1,0,0,0,0|1,0,0]=3 1024 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [1,1,0,0,0,0|1,0,1]=4 1025 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [1,1,0,0,0,0|1,0,1]=4 1026 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,1,0,0,0,0|1,0,0]=3 1027 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,1,0,0,0,0|1,0,0]=3 1028 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,1,0,0,0,0|1,0,0]=3 1029 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,1,0,0,0,0|1,0,0]=3 1030 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,1,0,0,0,0|1,0,0]=3 1031 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,1,0,0,0,0|1,0,0]=3 1032 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,1,0,0,0,0|1,0,0]=3 1033 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,1,0,0,0,0|1,0,0]=3 1034 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,1,0,0,0,0|1,0,0]=3 1035 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,1,0,0,0,0|1,0,0]=3 1036 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,1,0,0,0,0|1,0,0]=3 1037 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,1,0,0,0,0|1,0,0]=3 1038 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,1,0,0,0,0|1,0,0]=3 1039 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,1,0,0,0,0|1,0,0]=3 1040 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,1,0,0,0,0|1,0,0]=3 1041 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,1,0,0,0,0|1,0,0]=3 1042 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,1,0,0,0,0|1,0,0]=3 1043 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,1,0,0,0,0|1,0,0]=3 1044 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,1,0,0,0,0|1,0,0]=3 1045 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,1,0,0,0,0|1,0,0]=3 1046 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,1,0,0,0,0|1,0,0]=3 1047 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,1,0,0,0,0|1,0,0]=3 1048 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,1,0,0,0,0|1,0,0]=3 1049 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,1,0,0,0,0|1,0,0]=3 1050 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,1,0,0,0,0|2,0,0]=4 1051 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,1,0,0,0,0|2,0,0]=4 1052 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,1,0,0,0,0|2,0,0]=4 1053 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,1,0,0,0,0|2,0,0]=4 1054 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,1,0,0,0,0|1,0,0]=3 1055 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,1,0,0,0,0|1,0,0]=3 1056 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,1,0,0,0,0|1,0,0]=3 1057 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,1,0,0,0,0|1,0,0]=3 1058 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,1,0,0,0,0|1,0,0]=3 1059 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,1,0,0,0,0|1,0,0]=3 1060 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,1,0,0,0,0|1,0,0]=3 1061 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [1,1,0,0,0,0|1,0,1]=4 1062 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [1,1,0,0,0,0|1,0,1]=4 1063 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,1,0,0,0,0|1,0,0]=3 1064 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,1,0,0,0,0|1,0,0]=3 1065 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,1,0,0,0,0|1,0,0]=3 1066 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,1,0,0,0,0|0,0,1]=3 1067 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [1,1,0,0,0,0|2,0,0]=4 1068 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [1,1,0,0,0,0|2,0,0]=4 1069 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [1,1,0,0,0,0|2,0,0]=4 1070 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [1,1,0,0,0,0|2,0,0]=4 1071 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [1,1,0,0,0,0|2,0,0]=4 1072 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [1,1,0,0,0,0|2,0,0]=4 1073 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [1,1,0,0,0,0|0,0,2]=4 1074 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,1,0,0,0,0|0,0,2]=4 1075 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,1,0,0,0,0|0,0,2]=4 1076 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,1,0,0,0,0|0,0,2]=4 1077 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,1,0,0,0,0|0,0,2]=4 1078 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,1,0,0,0,0|0,0,2]=4 1079 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,1,0,0,0,0|0,0,2]=4 1080 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,1,0,0,0,0|1,0,1]=4 1081 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,1,0,0,0,0|1,0,1]=4 1082 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,1,0,0,0,0|1,0,1]=4 1083 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|0,0,0]=2 1084 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|0,0,0]=2 1085 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|0,0,0]=2 1086 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,1,0,0,0,0|1,0,0]=3 1087 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,1,0,0,0,0|1,0,0]=3 1088 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|0,0,0]=2 1089 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [1,1,0,0,0,0|2,0,0]=4 1090 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,1,0,0,0,0|1,0,0]=3 1091 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 1092 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 1093 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 1094 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|1,0,0]=3 1095 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|0,0,0]=2 1096 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [1,1,0,0,0,0|2,0,0]=4 1097 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [1,1,0,0,0,0|2,0,0]=4 1098 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [1,1,0,0,0,0|2,0,0]=4 1099 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [1,1,0,0,0,0|2,0,0]=4 1100 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [1,1,0,0,0,0|2,0,0]=4 1101 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [1,1,0,0,0,0|2,0,0]=4 1102 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [1,1,0,0,0,0|2,0,0]=4 1103 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [1,1,0,0,0,0|2,0,0]=4 1104 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [1,1,0,0,0,0|2,0,0]=4 1105 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [1,1,0,0,0,0|2,0,0]=4 1106 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [1,1,0,0,0,0|2,0,0]=4 1107 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [1,1,0,0,0,0|2,0,0]=4 1108 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [1,1,0,0,0,0|2,0,0]=4 1109 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,1,0,0,0,0|2,0,0]=4 1110 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,1,0,0,0,0|2,0,0]=4 1111 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,1,0,0,0,0|2,0,0]=4 1112 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,1,0,0,0,0|2,0,0]=4 1113 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,1,0,0,0,0|1,0,0]=3 1114 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,1,0,0,0,0|2,0,0]=4 1115 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,1,0,0,0,0|2,0,0]=4 1116 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,1,0,0,0,0|2,0,0]=4 1117 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|0,0,0]=2 1118 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [1,1,0,0,0,0|2,0,0]=4 1119 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [1,1,0,0,0,0|2,0,0]=4 1120 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,1,0,0,0,0|1,0,0]=3 1121 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,1,0,0,0,0|1,0,1]=4 1122 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,1,0,0,0,0|0,0,1]=3 1123 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,1,0,0,0,0|0,0,1]=3 1124 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,1,0,0,0,0|0,0,1]=3 1125 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,1,0,0,0,0|0,0,2]=4 1126 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,1,0,0,0,0|0,0,2]=4 1127 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,1,0,0,0,0|0,0,2]=4 1128 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,1,0,0,0,0|0,0,2]=4 1129 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|0,0,1]=3 1130 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,1,0,0,0,0|1,0,1]=4 1131 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,1,0,0,0,0|1,0,1]=4 1132 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,1,0,0,0,0|1,0,0]=3 1133 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,1,0,0,0,0|1,0,0]=3 1134 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,1,0,0,0,0|1,0,0]=3 1135 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|1,0,0]=3 1136 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|1,0,0]=3 1137 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|1,0,0]=3 1138 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,1,0,0,0,0|1,0,0]=3 1139 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,1,0,0,0,0|1,0,0]=3 1140 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,1,0,0,0,0|1,0,0]=3 1141 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,1,0,0,0,0|1,0,0]=3 1142 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|1,0,0]=3 1143 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|1,0,0]=3 1144 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|1,0,0]=3 1145 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [1,1,0,0,0,0|2,0,0]=4 1146 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|1,0,0]=3 1147 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|1,0,0]=3 1148 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [1,1,0,0,0,0|2,0,0]=4 1149 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [1,1,0,0,0,0|2,0,0]=4 1150 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,1,0,0,0,0|1,0,1]=4 1151 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,1,0,0,0,0|1,0,1]=4 1152 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,1,0,0,0,0|1,0,1]=4 1153 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,1,0,0,0,0|1,0,1]=4 1154 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,1,0,0,0,0|1,0,1]=4 1155 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,1,0,0,0,0|0,0,1]=3 1156 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,1,0,0,0,0|0,0,1]=3 1157 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,1,0,0,0,0|0,0,1]=3 1158 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,1,0,0,0,0|0,0,2]=4 1159 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,1,0,0,0,0|0,0,2]=4 1160 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,1,0,0,0,0|0,0,2]=4 1161 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,1,0,0,0,0|0,0,1]=3 1162 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,1,0,0,0,0|1,0,1]=4 1163 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,1,0,0,0,0|1,0,1]=4 1164 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,1,0,0,0,0|1,0,1]=4 1165 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,1,0,0,0,0|1,0,1]=4 1166 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,1,0,0,0,0|0,0,2]=4 1167 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,1,0,0,0,0|0,0,1]=3 1168 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,1,0,0,0,0|0,0,1]=3 1169 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|0,0,0]=2 1170 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|0,0,0]=2 1171 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|0,0,0]=2 1172 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|0,0,0]=2 1173 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|0,0,0]=2 1174 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|0,0,0]=2 1175 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|1,0,0]=3 1176 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,1,0,0,0,0|1,0,1]=4 1177 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,1,0,0,0,0|1,0,1]=4 1178 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|1,0,0]=3 1179 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|1,0,0]=3 1180 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|1,0,0]=3 1181 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|1,0,0]=3 1182 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|1,0,0]=3 1183 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|1,0,0]=3 1184 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|1,0,0]=3 1185 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|1,0,0]=3 1186 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,1,0,0,0,0|1,0,1]=4 1187 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,1,0,0,0,0|1,0,1]=4 1188 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,1,0,0,0,0|1,0,1]=4 1189 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,1,0,0,0,0|1,0,1]=4 1190 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,1,0,0,0,0|1,0,1]=4 1191 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,1,0,0,0,0|0,0,2]=4 1192 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,1,0,0,0,0|0,0,2]=4 1193 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,1,0,0,0,0|0,0,2]=4 1194 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|0,0,1]=3 1195 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|0,0,1]=3 1196 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|0,0,1]=3 1197 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,1,0,0,0,0|1,0,1]=4 1198 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|0,0,1]=3 1199 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|0,0,1]=3 1200 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|0,0,1]=3 1201 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|0,0,1]=3 1202 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|0,0,0]=2 1203 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|0,0,0]=2 1204 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|0,0,0]=2 1205 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,1,0,0,0,0|2,0,0]=4 1206 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,1,0,0,0,0|2,0,0]=4 1207 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,1,0,0,0,0|2,0,0]=4 1208 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,1,0,0,0,0|2,0,0]=4 1209 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,1,0,0,0,0|2,0,0]=4 1210 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,1,0,0,0,0|2,0,0]=4 1211 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|0,0,0]=2 1212 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|0,0,0]=2 1213 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|0,0,0]=2 1214 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|0,0,0]=2 1215 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,1,0,0,0,0|1,0,1]=4 1216 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,1,0,0,0,0|1,0,1]=4 1217 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,1,0,0,0,0|1,0,1]=4 1218 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,1,0,0,0,0|1,0,1]=4 1219 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,1,0,0,0,0|1,0,1]=4 1220 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,1,0,0,0,0|1,0,1]=4 1221 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|1,0,0]=3 1222 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|1,0,0]=3 1223 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|1,0,0]=3 1224 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,1,0,0,0,0|1,0,1]=4 1225 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,1,0,0,0,0|1,0,1]=4 1226 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,1,0,0,0,0|1,0,1]=4 1227 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,1,0,0,0,0|1,0,1]=4 1228 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,1,0,0,0,0|0,0,2]=4 1229 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,1,0,0,0,0|0,0,2]=4 1230 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,1,0,0,0,0|0,0,2]=4 1231 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,1,0,0,0,0|0,0,2]=4 1232 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|1,0,0]=3 1233 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|0,0,0]=2 1234 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|0,0,0]=2 1235 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,1,0,0,0,0|1,0,0]=3 1236 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|0,0,0]=2 1237 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,1,0,0,0,0|1,0,0]=3 1238 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,1,0,0,0,0|1,0,1]=4 1239 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,1,0,0,0,0|1,0,1]=4 1240 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,1,0,0,0,0|1,0,1]=4 1241 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,1,0,0,0,0|1,0,1]=4 1242 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,1,0,0,0,0|0,0,2]=4 1243 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,1,0,0,0,0|2,0,0]=4 1244 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,1,0,0,0,0|1,0,1]=4 1245 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,1,0,0,0,0|1,0,1]=4 1246 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,1,0,0,0,0|0,0,2]=4 1247 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,1,0,0,0,0|2,0,0]=4 1248 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|0,0,0]=2 1249 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,1,0,0,0,0|1,0,0]=3 1250 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,1,0,0,0,0|1,0,0]=3 1251 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|0,0,0]=2 1252 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,1,0,0,0,0|1,0,0]=3 1253 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,1,0,0,0,0|1,0,0]=3 1254 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,1,0,0,0,0|1,0,1]=4 1255 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,1,0,0,0,0|1,0,1]=4 1256 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,1,0,0,0,0|0,0,2]=4 1257 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,1,0,0,0,0|0,0,2]=4 1258 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,1,0,0,0,0|0,0,2]=4 1259 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,1,0,0,0,0|0,0,2]=4 1260 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,1,0,0,0,0|2,0,0]=4 1261 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [1,1,0,0,0,0|2,0,0]=4 1262 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [1,1,0,0,0,0|2,0,0]=4 1263 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,1,0,0,0,0|2,0,0]=4 1264 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,1,0,0,0,0|2,0,0]=4 1265 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,1,0,0,0,0|2,0,0]=4 1266 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,1,0,0,0,0|2,0,0]=4 1267 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,1,0,0,0,0|2,0,0]=4 1268 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,1,0,0,0,0|2,0,0]=4 1269 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,1,0,0,0,0|2,0,0]=4 1270 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,1,0,0,0,0|1,0,1]=4 1271 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,1,0,0,0,0|1,0,1]=4 1272 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,1,0,0,0,0|1,0,1]=4 1273 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,1,0,0,0,0|1,0,1]=4 1274 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|0,0,0]=2 1275 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,1,0,0,0,0|1,0,0]=3 1276 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,1,0,0,0,0|1,0,0]=3 1277 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,1,0,0,0,0|1,0,0]=3 1278 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,1,0,0,0,0|1,0,1]=4 1279 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,1,0,0,0,0|1,0,1]=4 1280 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,1,0,0,0,0|1,0,1]=4 1281 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,1,0,0,0,0|1,0,1]=4 1282 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,1,0,0,0,0|0,0,2]=4 1283 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,1,0,0,0,0|0,0,2]=4 1284 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,1,0,0,0,0|0,0,2]=4 1285 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,1,0,0,0,0|0,0,2]=4 1286 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,1,0,0,0,0|2,0,0]=4 1287 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|1,0,0]=3 1288 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,1,0,0,0,0|2,0,0]=4 1289 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|0,0,2]=4 1290 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|0,0,2]=4 1291 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,1,0,0,0,0|1,0,1]=4 1292 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,1,0,0,0,0|1,0,1]=4 1293 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|0,0,0]=2 1294 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|0,0,0]=2 1295 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|0,0,0]=2 1296 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|0,0,0]=2 1297 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1298 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,1,0,0,0,0|1,0,0]=3 1299 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1300 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|0,0,0]=2 1301 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,1,0,0,0,0|1,0,1]=4 1302 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,1,0,0,0,0|1,0,1]=4 1303 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,1,0,0,0,0|1,0,1]=4 1304 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,1,0,0,0,0|1,0,1]=4 1305 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,1,0,0,0,0|0,0,2]=4 1306 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,1,0,0,0,0|2,0,0]=4 1307 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,1,0,0,0,0|2,0,0]=4 1308 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,1,0,0,0,0|2,0,0]=4 1309 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,1,0,0,0,0|2,0,0]=4 1310 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,1,0,0,0,0|2,0,0]=4 1311 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,1,0,0,0,0|2,0,0]=4 1312 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,1,0,0,0,0|1,0,1]=4 1313 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|1,0,0]=3 1314 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,1,0,0,0,0|1,0,1]=4 1315 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,1,0,0,0,0|1,0,1]=4 1316 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|0,0,0]=2 1317 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|0,0,0]=2 1318 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|0,0,0]=2 1319 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|0,0,0]=2 1320 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,1,0,0,0,0|1,0,0]=3 1321 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,1,0,0,0,0|1,0,0]=3 1322 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|0,0,0]=2 1323 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,1,0,0,0,0|1,0,1]=4 1324 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,1,0,0,0,0|1,0,1]=4 1325 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,1,0,0,0,0|0,0,2]=4 1326 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,1,0,0,0,0|0,0,2]=4 1327 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,1,0,0,0,0|2,0,0]=4 1328 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,1,0,0,0,0|2,0,0]=4 1329 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,1,0,0,0,0|2,0,0]=4 1330 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,1,0,0,0,0|2,0,0]=4 1331 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,1,0,0,0,0|2,0,0]=4 1332 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,1,0,0,0,0|2,0,0]=4 1333 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,1,0,0,0,0|2,0,0]=4 1334 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|1,0,0]=3 1335 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|1,0,0]=3 1336 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|1,0,1]=4 1337 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,1,0,0,0,0|2,0,0]=4 1338 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,1,0,0,0,0|2,0,0]=4 1339 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,1,0,0,0,0|2,0,0]=4 1340 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,1,0,0,0,0|2,0,0]=4 1341 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,1,0,0,0,0|2,0,0]=4 1342 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,1,0,0,0,0|0,0,2]=4 1343 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,1,0,0,0,0|0,0,1]=3 1344 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,1,0,0,0,0|2,0,0]=4 1345 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,1,0,0,0,0|1,0,0]=3 1346 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,1,0,0,0,0|1,0,0]=3 1347 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,1,0,0,0,0|1,0,0]=3 1348 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,1,0,0,0,0|1,0,0]=3 1349 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [1,1,0,0,0,0|2,0,0]=4 1350 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [1,1,0,0,0,0|2,0,0]=4 1351 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [1,1,0,0,0,0|2,0,0]=4 1352 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [1,1,0,0,0,0|2,0,0]=4 1353 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [1,1,0,0,0,0|2,0,0]=4 1354 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [1,1,0,0,0,0|2,0,0]=4 1355 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [1,1,0,0,0,0|2,0,0]=4 1356 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [1,1,0,0,0,0|2,0,0]=4 1357 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [1,1,0,0,0,0|2,0,0]=4 1358 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [1,1,0,0,0,0|2,0,0]=4 1359 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [1,1,0,0,0,0|2,0,0]=4 1360 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [1,1,0,0,0,0|2,0,0]=4 1361 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [1,1,0,0,0,0|2,0,0]=4 1362 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [1,1,0,0,0,0|2,0,0]=4 1363 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,1,0,0,0,0|0,1,1]=4 1364 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,1,0,0,0,0|0,1,1]=4 1365 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,1,0,0,0,0|0,1,1]=4 1366 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,1,0,0,0,0|0,1,1]=4 1367 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [1,1,0,0,0,0|1,0,1]=4 1368 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [1,1,0,0,0,0|1,0,1]=4 1369 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [1,1,0,0,0,0|1,0,1]=4 1370 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [1,1,0,0,0,0|1,0,1]=4 1371 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,1,0,0,0,0|0,1,1]=4 1372 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,1,0,0,0,0|0,1,1]=4 1373 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [1,1,0,0,0,0|0,0,1]=3 1374 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [1,1,0,0,0,0|0,0,1]=3 1375 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [1,1,0,0,0,0|0,0,1]=3 1376 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [1,1,0,0,0,0|0,0,1]=3 1377 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [1,1,0,0,0,0|1,1,0]=4 1378 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [1,1,0,0,0,0|1,1,0]=4 1379 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [1,1,0,0,0,0|1,1,0]=4 1380 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [1,1,0,0,0,0|1,1,0]=4 1381 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [1,1,0,0,0,0|1,1,0]=4 1382 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [1,1,0,0,0,0|1,0,1]=4 1383 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [1,1,0,0,0,0|1,0,1]=4 1384 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [1,1,0,0,0,0|1,0,1]=4 1385 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [1,1,0,0,0,0|1,0,1]=4 1386 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [1,1,0,0,0,0|1,0,0]=3 1387 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [1,1,0,0,0,0|1,0,0]=3 1388 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [1,1,0,0,0,0|0,1,0]=3 1389 B6R0.7 CC(=O)C(F)(F)F 1458a_100000070787_200000243211 [1,1,0,0,0,0|2,0,0]=4 1390 B6R0.7 CC(=O)C(F)(F)F 1458a_100015355933_200000210301 [1,1,0,0,0,0|2,0,0]=4 1391 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [1,1,0,0,0,0|1,0,0]=3 1392 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [1,1,0,0,0,0|1,0,0]=3 1393 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [1,1,0,0,0,0|0,1,0]=3 1394 B6R0.7 [13CH3]C(=O)C(F)(F)F 1458a_100015355933_200025704644 [1,1,0,0,0,0|2,0,0]=4 1395 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,1,0,0,0,1|2,0,0]=4 1396 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,1,0,0,0,1|2,0,0]=4 1397 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,1,0,0,0,1|2,0,0]=4 1398 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,1,0,0,0,1|1,1,0]=4 1399 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,1,0,0,0,1|0,1,1]=4 1400 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,1,0,0,0,1|0,1,1]=4 1401 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,1,0,0,0,1|1,0,0]=3 1402 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,1,0,0,0,1|1,0,0]=3 1403 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,1,0,0,0,1|1,0,0]=3 1404 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,1,0,0,0,1|1,0,0]=3 1405 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,1,0,0,0,1|2,0,0]=4 1406 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,1,0,0,0,1|2,0,0]=4 1407 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,1,0,0,0,1|2,0,0]=4 1408 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,1,0,0,0,1|2,0,0]=4 1409 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,1,0,0,0,1|1,1,0]=4 1410 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,1,0,0,0,1|1,0,1]=4 1411 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,1,0,0,0,1|1,0,1]=4 1412 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,1,0,0,0,1|0,1,1]=4 1413 B8R0.5 CC(=O)N[C@@H](C)CC#N 11a_100016994482_100015343762 [0,1,0,0,0,1|1,0,1]=4 1414 B8R0.5 CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100015343762 [0,1,0,0,0,1|1,0,1]=4 1415 B8R0.5 CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100015343762 [0,1,0,0,0,1|1,0,1]=4 1416 B8R0.5 CC(=O)N[C@@H](C)CC#N 527a_100016994482_100103153847 [0,1,0,0,0,1|1,0,1]=4 1417 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,1,0,0,0,1|1,0,0]=3 1418 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,1,0,0,0,1|1,0,0]=3 1419 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,1,0,0,0,1|2,0,0]=4 1420 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,1,0,0,0,1|2,0,0]=4 1421 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,1,0,0,0,1|1,0,1]=4 1422 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,1,0,0,0,1|1,0,1]=4 1423 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,0,0,0,1|0,1,1]=4 1424 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,1,0,0,0,1|1,0,0]=3 1425 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,1,0,0,0,1|1,0,0]=3 1426 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,1,0,0,0,1|1,0,0]=3 1427 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,1,0,0,0,1|1,0,0]=3 1428 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,1,0,0,0,1|1,0,0]=3 1429 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,1,0,0,0,1|1,0,0]=3 1430 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,1,0,0,0,1|1,0,0]=3 1431 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,1,0,0,0,1|1,1,0]=4 1432 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,1,0,0,0,1|1,1,0]=4 1433 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,1,0,0,0,1|0,1,1]=4 1434 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,1,0,0,0,1|0,1,1]=4 1435 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,1,0,0,0,1|0,1,1]=4 1436 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,1,0,0,0,1|0,1,1]=4 1437 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,1,0,0,0,1|2,0,0]=4 1438 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,1,0,0,0,1|1,0,0]=3 1439 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,1,0,0,0,1|1,0,0]=3 1440 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,1,0,0,0,1|1,0,0]=3 1441 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,1,0,0,0,1|1,0,0]=3 1442 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,1,0,0,0,1|0,1,1]=4 1443 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,1,0,0,0,1|1,1,0]=4 1444 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,1,0,0,0,1|1,0,0]=3 1445 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,1,0,0,0,1|1,0,0]=3 1446 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,1,0,0,0,1|1,0,0]=3 1447 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,1,0,0,0,1|1,0,0]=3 1448 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,1,0,0,0,1|0,1,1]=4 1449 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,1,0,0,0,1|1,1,0]=4 1450 B8R0.16 C=C[C@@H](CO)NC(=O)C 240690a_100016989147_100015343762 [0,1,0,0,0,1|2,0,0]=4 1451 B8R0.16 C=C[C@@H](CO)NC(=O)C 527a_100016989147_100103153847 [0,1,0,0,0,1|2,0,0]=4 1452 B8R0.16 CC(=O)NC(CO)CO 240690a_100000759517_100015343762 [0,1,0,0,0,1|1,1,0]=4 1453 B8R0.16 CC(=O)NC(CO)CO 527a_100000759517_100103153847 [0,1,0,0,0,1|1,1,0]=4 1454 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,1,0,0,0,1|1,0,0]=3 1455 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,1,0,0,0,1|1,0,0]=3 1456 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,1,0,0,0,1|1,0,0]=3 1457 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,1,0,0,0,1|1,0,0]=3 1458 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,1,0,0,0,1|1,0,0]=3 1459 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [0,1,0,0,0,1|2,0,0]=4 1460 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [0,1,0,0,0,1|2,0,0]=4 1461 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [0,1,0,0,0,1|0,1,0]=3 1462 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [0,1,0,0,0,1|0,1,0]=3 1463 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,1,0,0,0,1|2,0,0]=4 1464 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,1,0,0,0,1|2,0,0]=4 1465 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,1,0,0,0,1|1,1,0]=4 1466 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,1,0,0,0,1|1,1,0]=4 1467 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,1,0,0,0,1|1,1,0]=4 1468 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,1,0,0,0,1|1,0,1]=4 1469 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,1,0,0,0,1|0,1,1]=4 1470 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,1,0,0,0,1|1,0,1]=4 1471 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,1,0,0,0,1|1,0,1]=4 1472 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,1,0,0,0,1|0,1,1]=4 1473 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,1,0,0,0,1|1,0,1]=4 1474 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,1,0,0,0,1|1,0,1]=4 1475 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,1,0,0,0,1|1,0,1]=4 1476 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [0,1,0,0,0,1|1,0,1]=4 1477 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,1,0,0,0,1|1,0,1]=4 1478 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,1,0,0,0,1|1,0,1]=4 1479 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,1,0,0,0,1|1,0,1]=4 1480 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,1,0,0,0,1|1,0,1]=4 1481 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,1,0,0,0,1|0,1,1]=4 1482 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,1,0,0,0,1|0,1,1]=4 1483 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,1,0,0,0,1|0,1,1]=4 1484 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,0,0,0,1|0,1,1]=4 1485 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,0,0,0,1|0,1,1]=4 1486 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,0,0,0,1|1,0,0]=3 1487 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,0,0,0,1|1,0,0]=3 1488 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,0,0,0,1|0,1,0]=3 1489 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,0,0,0,1|0,1,0]=3 1490 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,1,0,0,0,1|2,0,0]=4 1491 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,1,0,0,0,1|2,0,0]=4 1492 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,0,0,0,1|1,0,0]=3 1493 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,0,0,0,1|2,0,0]=4 1494 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,1,0,0,0,1|1,0,0]=3 1495 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,1,0,0,0,1|1,0,0]=3 1496 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,1,0,0,0,1|1,0,0]=3 1497 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,1,0,0,0,1|1,0,0]=3 1498 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,1,0,0,0,1|2,0,0]=4 1499 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,1,0,0,0,1|2,0,0]=4 1500 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,1,0,0,0,1|2,0,0]=4 1501 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,1,0,0,0,1|2,0,0]=4 1502 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,0,0,0,1|2,0,0]=4 1503 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,0,0,0,1|2,0,0]=4 1504 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,1,0,0,0,1|1,0,0]=3 1505 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,0,0,0,1|1,0,0]=3 1506 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,1,0,0,0,1|1,0,0]=3 1507 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,1,0,0,0,1|1,0,0]=3 1508 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,1,0,0,0,1|1,0,0]=3 1509 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,1,0,0,0,1|1,0,0]=3 1510 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,0,0,0,1|1,0,0]=3 1511 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,0,0,0,1|1,0,0]=3 1512 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,1,0,0,0,1|1,0,0]=3 1513 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,1,0,0,0,1|1,0,0]=3 1514 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,1,0,0,0,1|1,0,0]=3 1515 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,1,0,0,0,1|1,0,0]=3 1516 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,1,0,0,0,1|1,0,0]=3 1517 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,1,0,0,0,1|1,0,0]=3 1518 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,1,0,0,0,1|0,1,0]=3 1519 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,0,0,0,1|0,1,0]=3 1520 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,1,0,0,0,1|0,1,0]=3 1521 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,1,0,0,0,1|0,1,0]=3 1522 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,1,0,0,0,1|2,0,0]=4 1523 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,1,0,0,0,1|2,0,0]=4 1524 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,1,0,0,0,1|2,0,0]=4 1525 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,1,0,0,0,1|2,0,0]=4 1526 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,1,0,0,0,1|2,0,0]=4 1527 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,1,0,0,0,1|2,0,0]=4 1528 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,0,0,0,1|2,0,0]=4 1529 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,0,0,0,1|2,0,0]=4 1530 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,0,0,0,1|2,0,0]=4 1531 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,0,0,0,1|1,0,0]=3 1532 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,1,0,0,0,1|2,0,0]=4 1533 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,1,0,0,0,1|2,0,0]=4 1534 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,1,0,0,0,1|2,0,0]=4 1535 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,1,0,0,0,1|2,0,0]=4 1536 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,1,0,0,0,1|2,0,0]=4 1537 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,1,0,0,0,1|2,0,0]=4 1538 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,1,0,0,0,1|2,0,0]=4 1539 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,1,0,0,0,1|2,0,0]=4 1540 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,1,0,0,0,1|2,0,0]=4 1541 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,1,0,0,0,1|2,0,0]=4 1542 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,1,0,0,0,1|2,0,0]=4 1543 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,1,0,0,0,1|2,0,0]=4 1544 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,1,0,0,0,1|2,0,0]=4 1545 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,1,0,0,0,1|2,0,0]=4 1546 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,1,0,0,0,1|2,0,0]=4 1547 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,1,0,0,0,1|2,0,0]=4 1548 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,1,0,0,0,1|2,0,0]=4 1549 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,1,0,0,0,1|2,0,0]=4 1550 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,1,0,0,0,1|2,0,0]=4 1551 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,1,0,0,0,1|2,0,0]=4 1552 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,1,0,0,0,1|2,0,0]=4 1553 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,1,0,0,0,1|2,0,0]=4 1554 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,0,1|0,1,1]=4 1555 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,0,0,0,1|2,0,0]=4 1556 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,0,0,0,1|2,0,0]=4 1557 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,1,0,0,0,1|1,0,0]=3 1558 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,1,0,0,0,1|1,0,0]=3 1559 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,1,0,0,0,1|1,0,0]=3 1560 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,1,0,0,0,1|1,0,0]=3 1561 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,1,0,0,0,1|1,0,1]=4 1562 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,1,0,0,0,1|1,0,1]=4 1563 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,0,0,0,1|1,0,1]=4 1564 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,1,0,0,0,1|2,0,0]=4 1565 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,0,0,0,1|1,0,1]=4 1566 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,0,0,0,1|1,0,1]=4 1567 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,0,0,0,1|2,0,0]=4 1568 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,0,0,0,1|2,0,0]=4 1569 B8R0.24 CCC(C)NS(=O)(=O)C 40a_100000209981_100000738038 [0,1,0,0,0,1|2,0,0]=4 1570 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,1,0,0,0,1|2,0,0]=4 1571 B8R0.34 CC(=O)NC(C)(C)CO 240690a_100000210608_100015343762 [0,1,0,0,0,1|2,0,0]=4 1572 B8R0.34 CC(=O)NC(C)(C)CO 527a_100020618417_100103153847 [0,1,0,0,0,1|2,0,0]=4 1573 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,1,0,0,0,1|1,0,0]=3 1574 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,1,0,0,0,1|1,0,0]=3 1575 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [0,1,0,0,0,1|1,0,0]=3 1576 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [0,1,0,0,0,1|1,0,0]=3 1577 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [0,1,0,0,0,1|1,0,0]=3 1578 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [0,1,0,0,0,1|1,0,0]=3 1579 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,1,0,0,0,1|0,1,0]=3 1580 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,1,0,0,0,1|0,1,0]=3 1581 B8R0.34 CCS(=O)(=O)CC(=O)C 1458a_100000744335_200000210301 [0,1,0,0,0,1|1,1,0]=4 1582 B8R0.34 CCS(=O)(=O)CC(=O)[13CH3] 1458a_100000744335_200025704644 [0,1,0,0,0,1|1,1,0]=4 1583 B8R0.34 CCS(=O)(=O)NC(=O)C 2740a_100000171174_100015343762 [0,1,0,0,0,1|1,1,0]=4 1584 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,1,0,0,0,1|2,0,0]=4 1585 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,2,0,0,0,0|1,0,1]=4 1586 B8R0.3 C#CC(=O)C(C)CCO 1458a_100000211873_100009893172 [0,2,0,0,0,0|1,0,1]=4 1587 B8R0.3 C#CC(=O)C(C)COC 1458a_100000211873_100000765312 [0,2,0,0,0,0|1,0,1]=4 1588 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011192722_100000184674 [0,2,0,0,0,0|1,0,0]=3 1589 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011220946_100000758301 [0,2,0,0,0,0|1,0,0]=3 1590 B8R0.3 C#CCC(=O)C(C)OC 1458a_100000743197_100000184674 [0,2,0,0,0,0|2,0,0]=4 1591 B8R0.3 C#CCC(=O)C(C)SC 1458a_100000149566_100000184674 [0,2,0,0,0,0|2,0,0]=4 1592 B8R0.3 C#CCC(=O)C(O)CC 1458a_100011196387_100000184674 [0,2,0,0,0,0|0,1,0]=3 1593 B8R0.3 C#CCC(=O)C(O)CO 1458a_100011215603_100000184674 [0,2,0,0,0,0|1,1,0]=4 1594 B8R0.3 C#CCC(=O)N(C)CC 1626a_100000225621_100011220946 [0,2,0,0,0,0|2,0,0]=4 1595 B8R0.3 C#CCC(=O)N(C)CC 527a_100000225621_100011220946 [0,2,0,0,0,0|2,0,0]=4 1596 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [0,2,0,0,0,0|2,0,0]=4 1597 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,2,0,0,0,0|1,0,1]=4 1598 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,2,0,0,0,0|1,0,1]=4 1599 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,2,0,0,0,0|1,0,1]=4 1600 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,2,0,0,0,0|1,0,1]=4 1601 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,2,0,0,0,0|1,0,1]=4 1602 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,2,0,0,0,0|1,0,1]=4 1603 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,2,0,0,0,0|1,0,1]=4 1604 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [0,2,0,0,0,0|1,0,1]=4 1605 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [0,2,0,0,0,0|1,0,1]=4 1606 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,2,0,0,0,0|1,0,0]=3 1607 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,2,0,0,0,0|1,0,0]=3 1608 B8R0.3 C=CCC(=O)C(C)OC 1458a_100000743197_100000210623 [0,2,0,0,0,0|2,0,0]=4 1609 B8R0.3 C=CCC(=O)C(C)SC 1458a_100000149566_100000210623 [0,2,0,0,0,0|2,0,0]=4 1610 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,2,0,0,0,0|0,1,0]=3 1611 B8R0.3 C=CCC(=O)C(O)CO 1458a_100011215603_100000210623 [0,2,0,0,0,0|1,1,0]=4 1612 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [0,2,0,0,0,0|2,0,0]=4 1613 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [0,2,0,0,0,0|2,0,0]=4 1614 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [0,2,0,0,0,0|2,0,0]=4 1615 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [0,2,0,0,0,0|2,0,0]=4 1616 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,2,0,0,0,0|1,0,1]=4 1617 B8R0.3 C=CCC(C)C(=O)CF 1458a_100011216819_100015361967 [0,2,0,0,0,0|1,0,1]=4 1618 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [0,2,0,0,0,0|1,0,1]=4 1619 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [0,2,0,0,0,0|1,0,1]=4 1620 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [0,2,0,0,0,0|1,0,1]=4 1621 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [0,2,0,0,0,0|1,0,1]=4 1622 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [0,2,0,0,0,0|1,0,0]=3 1623 B8R0.3 CC(CC#N)C(=O)CO 1458a_100000210174_100009813641 [0,2,0,0,0,0|1,0,1]=4 1624 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,2,0,0,0,0|1,0,0]=3 1625 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,2,0,0,0,0|1,0,1]=4 1626 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,2,0,0,0,0|1,0,1]=4 1627 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,2,0,0,0,0|1,0,1]=4 1628 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 1629 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 1630 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 1631 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,2,0,0,0,0|1,0,0]=3 1632 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 1633 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 1634 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 1635 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [0,2,0,0,0,0|1,0,1]=4 1636 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,2,0,0,0,0|1,0,0]=3 1637 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,2,0,0,0,0|1,0,0]=3 1638 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,2,0,0,0,0|1,0,0]=3 1639 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,2,0,0,0,0|1,0,0]=3 1640 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,2,0,0,0,0|2,0,0]=4 1641 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,2,0,0,0,0|2,0,0]=4 1642 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,2,0,0,0,0|2,0,0]=4 1643 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,2,0,0,0,0|2,0,0]=4 1644 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [0,2,0,0,0,0|1,0,1]=4 1645 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [0,2,0,0,0,0|1,0,1]=4 1646 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [0,2,0,0,0,0|1,0,1]=4 1647 B8R0.3 CCC(C)C(=O)CC#N 1458a_100011192722_100011214920 [0,2,0,0,0,0|1,0,0]=3 1648 B8R0.3 CCC(C)C(=O)CC#N 1458a_100051588842_100000758301 [0,2,0,0,0,0|1,0,0]=3 1649 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,2,0,0,0,0|1,0,0]=3 1650 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,2,0,0,0,0|1,0,0]=3 1651 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,2,0,0,0,0|1,0,0]=3 1652 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,2,0,0,0,0|1,0,0]=3 1653 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,2,0,0,0,0|1,0,0]=3 1654 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [0,2,0,0,0,0|1,0,0]=3 1655 B8R0.3 CCC(C)N(C)CC=O 2230a_100000741768_200015260668 [0,2,0,0,0,0|2,0,0]=4 1656 B8R0.3 CCC(C)N(C)CC=O 269982a_100000741768_200015260668 [0,2,0,0,0,0|2,0,0]=4 1657 B8R0.3 CCC(O)C(=O)CC#N 1458a_100011196387_100011214920 [0,2,0,0,0,0|0,1,0]=3 1658 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,2,0,0,0,0|0,1,0]=3 1659 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,2,0,0,0,0|0,1,0]=3 1660 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,2,0,0,0,0|0,1,0]=3 1661 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,2,0,0,0,0|0,1,1]=4 1662 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,2,0,0,0,0|1,0,0]=3 1663 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,2,0,0,0,0|1,0,0]=3 1664 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,2,0,0,0,0|2,0,0]=4 1665 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,2,0,0,0,0|2,0,0]=4 1666 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,2,0,0,0,0|0,1,0]=3 1667 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,2,0,0,0,0|1,1,0]=4 1668 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,2,0,0,0,0|2,0,0]=4 1669 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,2,0,0,0,0|2,0,0]=4 1670 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,2,0,0,0,0|2,0,0]=4 1671 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,2,0,0,0,0|2,0,0]=4 1672 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,2,0,0,0,0|1,0,0]=3 1673 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,2,0,0,0,0|1,0,0]=3 1674 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,2,0,0,0,0|1,0,0]=3 1675 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,2,0,0,0,0|1,0,0]=3 1676 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,2,0,0,0,0|1,0,0]=3 1677 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 1678 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 1679 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 1680 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 1681 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 1682 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 1683 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 1684 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,2,0,0,0,0|2,0,0]=4 1685 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,2,0,0,0,0|2,0,0]=4 1686 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,2,0,0,0,0|2,0,0]=4 1687 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,2,0,0,0,0|2,0,0]=4 1688 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,2,0,0,0,0|0,1,0]=3 1689 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,2,0,0,0,0|0,1,0]=3 1690 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,2,0,0,0,0|0,1,0]=3 1691 B8R0.3 CCN(C)C(=O)CC#N 1626a_100000225621_100051588842 [0,2,0,0,0,0|2,0,0]=4 1692 B8R0.3 CCN(C)C(=O)CC#N 240690a_100000225621_100051588842 [0,2,0,0,0,0|2,0,0]=4 1693 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,2,0,0,0,0|2,0,0]=4 1694 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,2,0,0,0,0|2,0,0]=4 1695 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,2,0,0,0,0|2,0,0]=4 1696 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,2,0,0,0,0|2,0,0]=4 1697 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,2,0,0,0,0|2,0,0]=4 1698 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,2,0,0,0,0|2,0,0]=4 1699 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,2,0,0,0,0|2,0,0]=4 1700 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,2,0,0,0,0|2,0,0]=4 1701 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,2,0,0,0,0|2,0,0]=4 1702 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,2,0,0,0,0|2,0,0]=4 1703 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,2,0,0,0,0|2,0,0]=4 1704 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,2,0,0,0,0|2,0,0]=4 1705 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,2,0,0,0,0|2,0,0]=4 1706 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,2,0,0,0,0|2,0,0]=4 1707 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,2,0,0,0,0|2,0,0]=4 1708 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,2,0,0,0,0|2,0,0]=4 1709 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,2,0,0,0,0|2,0,0]=4 1710 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,2,0,0,0,0|0,1,1]=4 1711 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,2,0,0,0,0|0,1,1]=4 1712 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,2,0,0,0,0|0,1,1]=4 1713 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,2,0,0,0,0|0,1,1]=4 1714 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,2,0,0,0,0|0,1,1]=4 1715 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,2,0,0,0,0|0,1,1]=4 1716 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,2,0,0,0,0|0,1,1]=4 1717 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,2,0,0,0,0|0,1,1]=4 1718 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,2,0,0,0,0|0,1,1]=4 1719 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,2,0,0,0,0|0,1,1]=4 1720 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 1721 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 1722 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 1723 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,2,0,0,0,0|2,0,0]=4 1724 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,2,0,0,0,0|2,0,0]=4 1725 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,2,0,0,0,0|2,0,0]=4 1726 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,2,0,0,0,0|2,0,0]=4 1727 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,2,0,0,0,0|2,0,0]=4 1728 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,2,0,0,0,0|2,0,0]=4 1729 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,2,0,0,0,0|2,0,0]=4 1730 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,2,0,0,0,0|2,0,0]=4 1731 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,2,0,0,0,0|2,0,0]=4 1732 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,2,0,0,0,0|2,0,0]=4 1733 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,2,0,0,0,0|2,0,0]=4 1734 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,2,0,0,0,0|2,0,0]=4 1735 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,2,0,0,0,0|2,0,0]=4 1736 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,2,0,0,0,0|2,0,0]=4 1737 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,2,0,0,0,0|2,0,0]=4 1738 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,2,0,0,0,0|2,0,0]=4 1739 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,2,0,0,0,0|2,0,0]=4 1740 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,2,0,0,0,0|2,0,0]=4 1741 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,2,0,0,0,0|0,1,0]=3 1742 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,2,0,0,0,0|1,1,0]=4 1743 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,2,0,0,0,0|2,0,0]=4 1744 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,2,0,0,0,0|2,0,0]=4 1745 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,2,0,0,0,0|1,0,0]=3 1746 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,2,0,0,0,0|1,0,0]=3 1747 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,2,0,0,0,0|1,0,0]=3 1748 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,2,0,0,0,0|1,0,0]=3 1749 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,2,0,0,0,0|1,0,0]=3 1750 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,2,0,0,0,0|1,0,0]=3 1751 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,2,0,0,0,0|0,1,1]=4 1752 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,2,0,0,0,0|0,1,1]=4 1753 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,2,0,0,0,0|0,1,1]=4 1754 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,2,0,0,0,0|2,0,0]=4 1755 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,2,0,0,0,0|2,0,0]=4 1756 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,2,0,0,0,0|2,0,0]=4 1757 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,2,0,0,0,0|2,0,0]=4 1758 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,2,0,0,0,0|2,0,0]=4 1759 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,2,0,0,0,0|2,0,0]=4 1760 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,2,0,0,0,0|2,0,0]=4 1761 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,2,0,0,0,0|2,0,0]=4 1762 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,2,0,0,0,0|2,0,0]=4 1763 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,2,0,0,0,0|2,0,0]=4 1764 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,2,0,0,0,0|2,0,0]=4 1765 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,2,0,0,0,0|2,0,0]=4 1766 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,2,0,0,0,0|2,0,0]=4 1767 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,2,0,0,0,0|2,0,0]=4 1768 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,2,0,0,0,0|2,0,0]=4 1769 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,2,0,0,0,0|2,0,0]=4 1770 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,2,0,0,0,0|2,0,0]=4 1771 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,2,0,0,0,0|2,0,0]=4 1772 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,2,0,0,0,0|1,0,0]=3 1773 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,2,0,0,0,0|1,0,0]=3 1774 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,2,0,0,0,0|1,0,0]=3 1775 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 1776 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 1777 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,2,0,0,0,0|1,0,0]=3 1778 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 1779 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,2,0,0,0,0|2,0,0]=4 1780 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,2,0,0,0,0|1,0,0]=3 1781 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,2,0,0,0,0|1,0,0]=3 1782 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,2,0,0,0,0|1,0,0]=3 1783 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,2,0,0,0,0|2,0,0]=4 1784 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,2,0,0,0,0|2,0,0]=4 1785 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,2,0,0,0,0|1,0,0]=3 1786 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,2,0,0,0,0|1,0,0]=3 1787 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,2,0,0,0,0|1,0,0]=3 1788 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,2,0,0,0,0|1,0,0]=3 1789 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,2,0,0,0,0|1,0,0]=3 1790 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,2,0,0,0,0|1,0,0]=3 1791 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,2,0,0,0,0|1,0,0]=3 1792 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,2,0,0,0,0|1,0,0]=3 1793 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,2,0,0,0,0|1,0,0]=3 1794 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,2,0,0,0,0|1,0,0]=3 1795 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,2,0,0,0,0|1,0,0]=3 1796 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,2,0,0,0,0|1,0,0]=3 1797 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,2,0,0,0,0|1,0,0]=3 1798 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,2,0,0,0,0|1,0,0]=3 1799 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,2,0,0,0,0|2,0,0]=4 1800 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,2,0,0,0,0|2,0,0]=4 1801 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,2,0,0,0,0|0,1,1]=4 1802 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,2,0,0,0,0|0,1,1]=4 1803 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,2,0,0,0,0|1,0,0]=3 1804 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,2,0,0,0,0|1,0,0]=3 1805 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,2,0,0,0,0|1,0,0]=3 1806 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,2,0,0,0,0|1,0,0]=3 1807 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,2,0,0,0,0|1,0,0]=3 1808 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,2,0,0,0,0|1,0,0]=3 1809 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,2,0,0,0,0|1,0,0]=3 1810 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,2,0,0,0,0|1,0,0]=3 1811 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,2,0,0,0,0|1,0,0]=3 1812 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,2,0,0,0,0|1,0,0]=3 1813 B8R0.3 CNC(=O)C(C)SCF 62a_100000209862_100015361967 [0,2,0,0,0,0|2,0,0]=4 1814 B8R0.3 CNC(=O)C(C)SCF 62a_100015361967_100000731044 [0,2,0,0,0,0|2,0,0]=4 1815 B8R0.3 CNC(=O)C(F)SCF 62a_100009813575_100015361967 [0,2,0,0,0,0|2,0,0]=4 1816 B8R0.3 CNC(=O)C(F)SCF 62a_100015361967_100009813575 [0,2,0,0,0,0|2,0,0]=4 1817 B8R0.3 CNC(=O)N(C)CCO 2708a_100102657272_100000210263 [0,2,0,0,0,0|2,0,0]=4 1818 B8R0.3 CNC(=O)N(C)CCO 273464a_100102657272_100000210263 [0,2,0,0,0,0|2,0,0]=4 1819 B8R0.3 CNC(=O)[C@@H](C)NCF 34a_100000684985_100015361967 [0,2,0,0,0,0|2,0,0]=4 1820 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,2,0,0,0,0|0,1,1]=4 1821 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,2,0,0,0,0|1,0,0]=3 1822 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,2,0,0,0,0|1,0,0]=3 1823 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,2,0,0,0,0|1,0,0]=3 1824 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [0,2,0,0,0,0|2,0,0]=4 1825 B8R0.3 CNNC(=O)C(C)SC 22a_100016993582_100000149566 [0,2,0,0,0,0|2,0,0]=4 1826 B8R0.3 CNNC(=O)C(O)CO 22a_100016993582_100011215603 [0,2,0,0,0,0|1,1,0]=4 1827 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,2,0,0,0,0|0,1,1]=4 1828 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,2,0,0,0,0|0,1,1]=4 1829 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,2,0,0,0,0|0,1,1]=4 1830 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,2,0,0,0,0|0,1,1]=4 1831 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,2,0,0,0,0|1,0,0]=3 1832 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,2,0,0,0,0|1,0,0]=3 1833 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,2,0,0,0,0|1,0,0]=3 1834 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,2,0,0,0,0|1,0,0]=3 1835 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,2,0,0,0,0|1,0,0]=3 1836 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,2,0,0,0,0|1,0,0]=3 1837 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,2,0,0,0,0|2,0,0]=4 1838 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,2,0,0,0,0|2,0,0]=4 1839 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,2,0,0,0,0|2,0,0]=4 1840 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,2,0,0,0,0|1,0,0]=3 1841 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|1,0,0]=3 1842 B8R0.3 COC(C)C(=O)CC#N 1458a_100000743197_100011214920 [0,2,0,0,0,0|2,0,0]=4 1843 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,2,0,0,0,0|2,0,0]=4 1844 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,2,0,0,0,0|2,0,0]=4 1845 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,2,0,0,0,0|0,1,1]=4 1846 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,2,0,0,0,0|1,0,0]=3 1847 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,2,0,0,0,0|1,0,0]=3 1848 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,2,0,0,0,0|1,0,0]=3 1849 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,2,0,0,0,0|1,0,0]=3 1850 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,2,0,0,0,0|1,0,0]=3 1851 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,2,0,0,0,0|1,0,0]=3 1852 B8R0.3 COCC(N)C(=O)NN 34a_100016989258_200000210301 [0,2,0,0,0,0|2,0,0]=4 1853 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|1,0,0]=3 1854 B8R0.3 CSC(C)C(=O)CC#N 1458a_100000149566_100011214920 [0,2,0,0,0,0|2,0,0]=4 1855 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [0,2,0,0,0,0|2,0,0]=4 1856 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,2,0,0,0,0|2,0,0]=4 1857 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,2,0,0,0,0|1,0,0]=3 1858 B8R0.3 N#CCC(=O)C(O)CO 1458a_100011215603_100011214920 [0,2,0,0,0,0|1,1,0]=4 1859 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,2,0,0,0,0|1,1,0]=4 1860 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,2,0,0,0,0|1,1,0]=4 1861 B8R0.3 [13CH3]OCC(N)C(=O)NN 34a_100016989258_200025704644 [0,2,0,0,0,0|2,0,0]=4 1862 B8R0.8 C#CCOC(C)C(=O)C 34a_100000212229_100000184674 [0,2,0,0,0,0|1,0,1]=4 1863 B8R0.8 C#CCSC(C)C(=O)C 62a_100000038162_100009814033 [0,2,0,0,0,0|1,0,1]=4 1864 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,2,0,0,0,0|2,0,0]=4 1865 B8R0.8 C=C(C)C(C)NCCF 269862a_100000724931_100011216138 [0,2,0,0,0,0|2,0,0]=4 1866 B8R0.8 C=C(C)C(C)NCCO 269862a_100000210304_100011216138 [0,2,0,0,0,0|2,0,0]=4 1867 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [0,2,0,0,0,0|2,0,0]=4 1868 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [0,2,0,0,0,0|2,0,0]=4 1869 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [0,2,0,0,0,0|2,0,0]=4 1870 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [0,2,0,0,0,0|2,0,0]=4 1871 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [0,2,0,0,0,0|1,0,1]=4 1872 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [0,2,0,0,0,0|1,0,1]=4 1873 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [0,2,0,0,0,0|1,0,1]=4 1874 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [0,2,0,0,0,0|1,0,1]=4 1875 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [0,2,0,0,0,0|1,0,1]=4 1876 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [0,2,0,0,0,0|1,0,1]=4 1877 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [0,2,0,0,0,0|0,1,1]=4 1878 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [0,2,0,0,0,0|0,1,1]=4 1879 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,2,0,0,0,0|1,0,0]=3 1880 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,2,0,0,0,0|1,0,0]=3 1881 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,2,0,0,0,0|1,0,0]=3 1882 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,2,0,0,0,0|1,0,1]=4 1883 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,2,0,0,0,0|1,0,0]=3 1884 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,2,0,0,0,0|1,0,0]=3 1885 B8R0.8 CC(=O)C(C)SCC#N 62a_100009814033_100011215382 [0,2,0,0,0,0|1,0,1]=4 1886 B8R0.8 CC(=O)C(C)SCC#N 62a_100011215382_100009814033 [0,2,0,0,0,0|1,0,1]=4 1887 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [0,2,0,0,0,0|1,0,1]=4 1888 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [0,2,0,0,0,0|1,0,1]=4 1889 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,2,0,0,0,0|1,0,0]=3 1890 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,2,0,0,0,0|1,0,0]=3 1891 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,2,0,0,0,0|1,0,0]=3 1892 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,2,0,0,0,0|1,0,0]=3 1893 B8R0.8 CC(=O)N(C)CCC#N 11a_100000184479_100015343762 [0,2,0,0,0,0|2,0,0]=4 1894 B8R0.8 CC(=O)N(C)CCC#N 1626a_100000184479_100015343762 [0,2,0,0,0,0|2,0,0]=4 1895 B8R0.8 CC(=O)N(C)CCC#N 240690a_100000184479_100015343762 [0,2,0,0,0,0|2,0,0]=4 1896 B8R0.8 CC(=O)N(C)CCC#N 527a_100000184479_100103153847 [0,2,0,0,0,0|2,0,0]=4 1897 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,2,0,0,0,0|2,0,0]=4 1898 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,2,0,0,0,0|2,0,0]=4 1899 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,2,0,0,0,0|2,0,0]=4 1900 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,2,0,0,0,0|2,0,0]=4 1901 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,2,0,0,0,0|2,0,0]=4 1902 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,2,0,0,0,0|2,0,0]=4 1903 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,2,0,0,0,0|2,0,0]=4 1904 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,2,0,0,0,0|2,0,0]=4 1905 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,2,0,0,0,0|2,0,0]=4 1906 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,2,0,0,0,0|2,0,0]=4 1907 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,2,0,0,0,0|2,0,0]=4 1908 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,2,0,0,0,0|2,0,0]=4 1909 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,2,0,0,0,0|1,0,1]=4 1910 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,2,0,0,0,0|1,0,1]=4 1911 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,2,0,0,0,0|1,0,0]=3 1912 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,2,0,0,0,0|1,0,0]=3 1913 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,2,0,0,0,0|1,0,0]=3 1914 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,2,0,0,0,0|0,1,0]=3 1915 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,2,0,0,0,0|0,1,0]=3 1916 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,2,0,0,0,0|2,0,0]=4 1917 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,2,0,0,0,0|2,0,0]=4 1918 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,2,0,0,0,0|2,0,0]=4 1919 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,2,0,0,0,0|2,0,0]=4 1920 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,2,0,0,0,0|0,1,1]=4 1921 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,2,0,0,0,0|0,1,1]=4 1922 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,2,0,0,0,0|2,0,0]=4 1923 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,2,0,0,0,0|2,0,0]=4 1924 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,2,0,0,0,0|2,0,0]=4 1925 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,2,0,0,0,0|1,0,0]=3 1926 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,2,0,0,0,0|2,0,0]=4 1927 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,2,0,0,0,0|2,0,0]=4 1928 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,2,0,0,0,0|2,0,0]=4 1929 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,2,0,0,0,0|2,0,0]=4 1930 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,2,0,0,0,0|2,0,0]=4 1931 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,2,0,0,0,0|2,0,0]=4 1932 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,2,0,0,0,0|1,0,0]=3 1933 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,2,0,0,0,0|1,0,0]=3 1934 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,2,0,0,0,0|2,0,0]=4 1935 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,2,0,0,0,0|2,0,0]=4 1936 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,2,0,0,0,0|2,0,0]=4 1937 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,2,0,0,0,0|2,0,0]=4 1938 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,2,0,0,0,0|2,0,0]=4 1939 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,2,0,0,0,0|2,0,0]=4 1940 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,2,0,0,0,0|2,0,0]=4 1941 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,2,0,0,0,0|2,0,0]=4 1942 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,2,0,0,0,0|0,1,1]=4 1943 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,2,0,0,0,0|1,0,0]=3 1944 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,2,0,0,0,0|1,0,0]=3 1945 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,2,0,0,0,0|2,0,0]=4 1946 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,2,0,0,0,0|0,1,1]=4 1947 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,2,0,0,0,0|0,1,1]=4 1948 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,2,0,0,0,0|2,0,0]=4 1949 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,2,0,0,0,0|2,0,0]=4 1950 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,2,0,0,0,0|2,0,0]=4 1951 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,2,0,0,0,0|2,0,0]=4 1952 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,2,0,0,0,0|2,0,0]=4 1953 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [0,2,0,0,0,0|2,0,0]=4 1954 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,2,0,0,0,0|1,0,0]=3 1955 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,2,0,0,0,0|1,0,0]=3 1956 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [0,2,0,0,0,0|2,0,0]=4 1957 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [0,2,0,0,0,0|2,0,0]=4 1958 B8R0.8 COCSC(F)C(=O)N 62a_100000766300_100009813875 [0,2,0,0,0,0|2,0,0]=4 1959 B8R0.8 COCSC(F)C(=O)N 62a_100009813875_100000766300 [0,2,0,0,0,0|2,0,0]=4 1960 B8R0.8 COCSC(F)C(=O)[O-] 62a_100000766300_100020610796 [0,2,0,0,0,0|2,0,0]=4 1961 B8R0.8 COCSC(F)C(=O)[O-] 62a_100020610796_100000766300 [0,2,0,0,0,0|2,0,0]=4 1962 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,2,0,0,0,0|0,1,0]=3 1963 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,2,0,0,0,0|0,1,0]=3 1964 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,2,0,0,0,0|2,0,0]=4 1965 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,2,0,0,0,0|2,0,0]=4 1966 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,2,0,0,0,0|2,0,0]=4 1967 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,2,0,0,0,0|2,0,0]=4 1968 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,2,0,0,0,0|2,0,0]=4 1969 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,2,0,0,0,0|2,0,0]=4 1970 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,2,0,0,0,0|2,0,0]=4 1971 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,2,0,0,0,0|1,0,0]=3 1972 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,2,0,0,0,0|2,0,0]=4 1973 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,2,0,0,0,0|1,0,0]=3 1974 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,2,0,0,0,0|1,0,0]=3 1975 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,2,0,0,0,0|2,0,0]=4 1976 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,2,0,0,0,0|2,0,0]=4 1977 B8R0.8 CSCSC(F)C(=O)N 62a_100009813875_100011218213 [0,2,0,0,0,0|2,0,0]=4 1978 B8R0.8 CSCSC(F)C(=O)N 62a_100011218213_100009813875 [0,2,0,0,0,0|2,0,0]=4 1979 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100011218213_100020610796 [0,2,0,0,0,0|2,0,0]=4 1980 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100020610796_100011218213 [0,2,0,0,0,0|2,0,0]=4 1981 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,2,0,0,0,0|2,0,0]=4 1982 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,2,0,0,0,0|2,0,0]=4 1983 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,2,0,0,0,0|2,0,0]=4 1984 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,2,0,0,0,0|2,0,0]=4 1985 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,2,0,0,0,0|2,0,0]=4 1986 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,2,0,0,0,0|2,0,0]=4 1987 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,2,0,0,0,0|2,0,0]=4 1988 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,2,0,0,0,0|2,0,0]=4 1989 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,2,0,0,0,0|2,0,0]=4 1990 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,2,0,0,0,0|2,0,0]=4 1991 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,2,0,0,0,0|2,0,0]=4 1992 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,2,0,0,0,0|2,0,0]=4 1993 B8R0.8 NC(=O)C(F)NCCF 34a_100000724931_100009813875 [0,2,0,0,0,0|2,0,0]=4 1994 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [0,2,0,0,0,0|2,0,0]=4 1995 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [0,2,0,0,0,0|2,0,0]=4 1996 B8R0.8 NC(=O)C(F)OCCBr 34a_100000211926_100009813875 [0,2,0,0,0,0|2,0,0]=4 1997 B8R0.8 NC(=O)C(F)SCCF 62a_100009813875_100011217306 [0,2,0,0,0,0|2,0,0]=4 1998 B8R0.8 NC(=O)C(F)SCCF 62a_100011217306_100009813875 [0,2,0,0,0,0|2,0,0]=4 1999 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [0,2,0,0,0,0|2,0,0]=4 2000 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [0,2,0,0,0,0|2,0,0]=4 2001 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [0,2,0,0,0,0|2,0,0]=4 2002 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,2,0,0,0,0|2,0,0]=4 2003 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,2,0,0,0,0|2,0,0]=4 2004 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,2,0,0,0,0|2,0,0]=4 2005 B8R0.8 O=C([O-])C(F)NCCF 34a_100000724931_100020610796 [0,2,0,0,0,0|2,0,0]=4 2006 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [0,2,0,0,0,0|2,0,0]=4 2007 B8R0.8 O=C([O-])C(F)OCCBr 34a_100000211926_100020610796 [0,2,0,0,0,0|2,0,0]=4 2008 B8R0.8 O=C([O-])C(F)SCCF 62a_100011217306_100020610796 [0,2,0,0,0,0|2,0,0]=4 2009 B8R0.8 O=C([O-])C(F)SCCF 62a_100020610796_100011217306 [0,2,0,0,0,0|2,0,0]=4 2010 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [0,2,0,0,0,0|2,0,0]=4 2011 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [0,2,0,0,0,0|2,0,0]=4 2012 B8R0.12 C=CCC(C)(C)C(=O)C 1458a_100000705796_200000210301 [0,2,0,0,0,0|1,0,1]=4 2013 B8R0.12 C=CCC(C)(C)C(=O)[13CH3] 1458a_100000705796_200025704644 [0,2,0,0,0,0|1,0,1]=4 2014 B8R0.12 C=CCC(F)(F)C(=O)C 1458a_100000062105_200000210301 [0,2,0,0,0,0|1,0,1]=4 2015 B8R0.12 C=CCC(F)(F)C(=O)[13CH3] 1458a_100000062105_200025704644 [0,2,0,0,0,0|1,0,1]=4 2016 B8R0.12 CC(=O)C(C)(C)OCF 34a_100000747739_100015361967 [0,2,0,0,0,0|2,0,0]=4 2017 B8R0.12 CC(=O)C(C)(C)OCF 7a_100000747739_100015361967 [0,2,0,0,0,0|2,0,0]=4 2018 B8R0.12 CC(=O)C(C)(C)SCF 62a_100000075568_100015361967 [0,2,0,0,0,0|2,0,0]=4 2019 B8R0.12 CC(=O)C(C)(C)SCF 62a_100015361967_100000075568 [0,2,0,0,0,0|2,0,0]=4 2020 B8R0.12 CC(C)(CN[13CH3])C(=O)N 2230a_100000740840_200025704644 [0,2,0,0,0,0|2,0,0]=4 2021 B8R0.12 CC(C)(CN[13CH3])C(=O)N 34a_100000740840_200025704644 [0,2,0,0,0,0|2,0,0]=4 2022 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,2,0,0,0,0|2,0,0]=4 2023 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200009895572_200025704644 [0,2,0,0,0,0|2,0,0]=4 2024 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200025704644_200009895572 [0,2,0,0,0,0|2,0,0]=4 2025 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,2,0,0,0,0|1,0,0]=3 2026 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,2,0,0,0,0|1,0,0]=3 2027 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [0,2,0,0,0,0|2,0,0]=4 2028 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [0,2,0,0,0,0|2,0,0]=4 2029 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [0,2,0,0,0,0|2,0,0]=4 2030 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,2,0,0,0,0|1,0,0]=3 2031 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,2,0,0,0,0|1,0,0]=3 2032 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,2,0,0,0,0|1,0,0]=3 2033 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,2,0,0,0,0|2,0,0]=4 2034 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,2,0,0,0,0|2,0,0]=4 2035 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,2,0,0,0,0|2,0,0]=4 2036 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,2,0,0,0,0|1,0,0]=3 2037 B8R0.12 CCOC(F)(F)C(=O)[O-] 34a_100121572206_100020612412 [0,2,0,0,0,0|2,0,0]=4 2038 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,2,0,0,0,0|1,0,0]=3 2039 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,2,0,0,0,0|1,0,0]=3 2040 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000210202_100000702505 [0,2,0,0,0,0|2,0,0]=4 2041 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000702505_100000210202 [0,2,0,0,0,0|2,0,0]=4 2042 B8R0.12 CCSC(F)(F)C(=O)N 62a_100000210202_100009811971 [0,2,0,0,0,0|2,0,0]=4 2043 B8R0.12 CCSC(F)(F)C(=O)N 62a_100009811971_100000210202 [0,2,0,0,0,0|2,0,0]=4 2044 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000210202_100000745680 [0,2,0,0,0,0|2,0,0]=4 2045 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210202 [0,2,0,0,0,0|2,0,0]=4 2046 B8R0.12 CNCC(C)(C)C(=O)N 2230a_100000740840_200000210301 [0,2,0,0,0,0|2,0,0]=4 2047 B8R0.12 CNCC(C)(C)C(=O)N 34a_100000740840_200000210301 [0,2,0,0,0,0|2,0,0]=4 2048 B8R0.12 CNCC(C)(C)C(=O)N 34a_100102657272_200009895572 [0,2,0,0,0,0|2,0,0]=4 2049 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,2,0,0,0,0|2,0,0]=4 2050 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,2,0,0,0,0|2,0,0]=4 2051 B8R0.12 COCC(C)(C)C(=O)N 34a_100138415774_200009895572 [0,2,0,0,0,0|2,0,0]=4 2052 B8R0.12 CSCC(C)(C)C(=O)N 62a_200000210301_200009895572 [0,2,0,0,0,0|2,0,0]=4 2053 B8R0.12 CSCC(C)(C)C(=O)N 62a_200009895572_200000210301 [0,2,0,0,0,0|2,0,0]=4 2054 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,2,0,0,0,0|2,0,0]=4 2055 B8R0.15 C#CCN(CC)C(=O)C 11a_100000744766_100015343762 [0,2,0,0,0,0|2,0,0]=4 2056 B8R0.15 C#CCN(CC)C(=O)C 1626a_100000744766_100015343762 [0,2,0,0,0,0|2,0,0]=4 2057 B8R0.15 C#CCN(CC)C(=O)C 240690a_100000744766_100015343762 [0,2,0,0,0,0|2,0,0]=4 2058 B8R0.15 C#CCN(CC)C(=O)C 527a_100000744766_100103153847 [0,2,0,0,0,0|2,0,0]=4 2059 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,2,0,0,0,0|2,0,0]=4 2060 B8R0.15 CCC(NCF)C(=O)N 34a_100000733705_100015361967 [0,2,0,0,0,0|2,0,0]=4 2061 B8R0.15 CCC(SCF)C(=O)N 62a_100000750255_100015361967 [0,2,0,0,0,0|1,0,0]=3 2062 B8R0.15 CCC(SCF)C(=O)N 62a_100015361967_100000750255 [0,2,0,0,0,0|1,0,0]=3 2063 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,2,0,0,0,0|1,0,0]=3 2064 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,2,0,0,0,0|1,0,0]=3 2065 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,2,0,0,0,0|1,0,0]=3 2066 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,2,0,0,0,0|1,1,0]=4 2067 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,2,0,0,0,0|1,1,0]=4 2068 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,2,0,0,0,0|1,1,0]=4 2069 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,2,0,0,0,0|1,1,0]=4 2070 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 2071 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 2072 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 2073 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,2,0,0,0,0|2,0,0]=4 2074 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,2,0,0,0,0|2,0,0]=4 2075 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,2,0,0,0,0|2,0,0]=4 2076 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,2,0,0,0,0|2,0,0]=4 2077 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,2,0,0,0,0|2,0,0]=4 2078 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,2,0,0,0,0|2,0,0]=4 2079 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,2,0,0,0,0|2,0,0]=4 2080 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [0,2,0,0,0,0|1,1,0]=4 2081 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [0,2,0,0,0,0|1,1,0]=4 2082 B8R0.15 CCNC(C#N)C(=O)N 2230a_100000039599_100000210202 [0,2,0,0,0,0|2,0,0]=4 2083 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,2,0,0,0,0|2,0,0]=4 2084 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,2,0,0,0,0|2,0,0]=4 2085 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,2,0,0,0,0|2,0,0]=4 2086 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,2,0,0,0,0|1,1,0]=4 2087 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [0,2,0,0,0,0|1,1,0]=4 2088 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [0,2,0,0,0,0|1,1,0]=4 2089 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,2,0,0,0,0|2,0,0]=4 2090 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,2,0,0,0,0|1,1,0]=4 2091 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,2,0,0,0,0|1,0,0]=3 2092 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,2,0,0,0,0|1,0,0]=3 2093 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,2,0,0,0,0|2,0,0]=4 2094 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,2,0,0,0,0|2,0,0]=4 2095 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,2,0,0,0,0|2,0,0]=4 2096 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,2,0,0,0,0|2,0,0]=4 2097 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,2,0,0,0,0|2,0,0]=4 2098 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,2,0,0,0,0|2,0,0]=4 2099 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,2,0,0,0,0|2,0,0]=4 2100 B8R0.13 CC(C)(CF)C(=O)CF 1458a_100000138116_100015361967 [0,2,0,0,0,0|2,0,0]=4 2101 B8R0.13 CC(C)(CO)C(=O)CF 1458a_100000749806_100015361967 [0,2,0,0,0,0|2,0,0]=4 2102 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [0,2,0,0,0,0|1,0,0]=3 2103 B8R0.13 CCC(=O)C(C)(C)CF 1458a_100000138116_100000210202 [0,2,0,0,0,0|2,0,0]=4 2104 B8R0.13 CCC(=O)C(C)(C)CO 1458a_100000749806_100000210202 [0,2,0,0,0,0|2,0,0]=4 2105 B8R0.13 CCC(=O)C(C)(C)OC 1458a_100000753492_100000210202 [0,2,0,0,0,0|2,0,0]=4 2106 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [0,2,0,0,0,0|0,1,0]=3 2107 B8R0.13 CCC(=O)C(F)(F)CC 1458a_100000061896_100000210202 [0,2,0,0,0,0|1,0,0]=3 2108 B8R0.13 CCC(C)(C)C(=O)CF 1458a_100000749717_100015361967 [0,2,0,0,0,0|1,0,0]=3 2109 B8R0.13 CCC(C)(C)C(=O)NC 11a_106832991635_100000749717 [0,2,0,0,0,0|1,0,0]=3 2110 B8R0.13 CCC(C)(C)C(=O)NC 1626a_100102657272_100000749717 [0,2,0,0,0,0|1,0,0]=3 2111 B8R0.13 CCC(C)(C)C(=O)NC 240690a_100102657272_100000749717 [0,2,0,0,0,0|1,0,0]=3 2112 B8R0.13 CCC(C)(C)C(=O)NC 527a_100102657272_100000749717 [0,2,0,0,0,0|1,0,0]=3 2113 B8R0.13 CCC(C)(O)C(=O)CF 1458a_100011219770_100015361967 [0,2,0,0,0,0|0,1,0]=3 2114 B8R0.13 CCC(C)(O)C(=O)NC 240690a_100102657272_100011219770 [0,2,0,0,0,0|0,1,0]=3 2115 B8R0.13 CCC(C)S(=O)(=O)NC 270084a_100102657272_100000685195 [0,2,0,0,0,0|2,0,0]=4 2116 B8R0.13 CCC(C)S(=O)(=O)NC 274078a_100102657272_100000685195 [0,2,0,0,0,0|2,0,0]=4 2117 B8R0.13 CCC(F)(F)C(=O)CF 1458a_100000061896_100015361967 [0,2,0,0,0,0|1,0,0]=3 2118 B8R0.13 CCC(F)(F)C(=O)NC 11a_106832991635_100000061896 [0,2,0,0,0,0|1,0,0]=3 2119 B8R0.13 CCC(F)(F)C(=O)NC 1626a_100102657272_100000061896 [0,2,0,0,0,0|1,0,0]=3 2120 B8R0.13 CCC(F)(F)C(=O)NC 240690a_100102657272_100000061896 [0,2,0,0,0,0|1,0,0]=3 2121 B8R0.13 CCC(F)(F)C(=O)NC 527a_100102657272_100000061896 [0,2,0,0,0,0|1,0,0]=3 2122 B8R0.13 CNC(=O)C(C)(C)CF 11a_106832991635_100000138116 [0,2,0,0,0,0|2,0,0]=4 2123 B8R0.13 CNC(=O)C(C)(C)CF 1626a_100102657272_100000138116 [0,2,0,0,0,0|2,0,0]=4 2124 B8R0.13 CNC(=O)C(C)(C)CF 240690a_100102657272_100000138116 [0,2,0,0,0,0|2,0,0]=4 2125 B8R0.13 CNC(=O)C(C)(C)CF 527a_100102657272_100000138116 [0,2,0,0,0,0|2,0,0]=4 2126 B8R0.13 CNC(=O)C(C)(C)CO 1626a_100102657272_100000749806 [0,2,0,0,0,0|2,0,0]=4 2127 B8R0.13 CNC(=O)C(C)(C)CO 240690a_100102657272_100000749806 [0,2,0,0,0,0|2,0,0]=4 2128 B8R0.13 CNC(=O)C(C)(C)CO 527a_100102657272_100000749806 [0,2,0,0,0,0|2,0,0]=4 2129 B8R0.13 CNC(=O)C(C)(C)NC 2230a_106832991635_100000732697 [0,2,0,0,0,0|2,0,0]=4 2130 B8R0.13 CNC(=O)C(C)(C)NC 34a_100102657272_100000732697 [0,2,0,0,0,0|2,0,0]=4 2131 B8R0.13 CNC(=O)C(C)(C)OC 11a_106832991635_100000753492 [0,2,0,0,0,0|2,0,0]=4 2132 B8R0.13 CNC(=O)C(C)(C)OC 1626a_100102657272_100000753492 [0,2,0,0,0,0|2,0,0]=4 2133 B8R0.13 CNC(=O)C(C)(C)OC 240690a_100102657272_100000753492 [0,2,0,0,0,0|2,0,0]=4 2134 B8R0.13 CNC(=O)C(C)(C)OC 34a_100138415774_100000732697 [0,2,0,0,0,0|2,0,0]=4 2135 B8R0.13 CNC(=O)C(C)(C)OC 527a_100102657272_100000753492 [0,2,0,0,0,0|2,0,0]=4 2136 B8R0.13 CNC(=O)C(C)(C)SC 62a_100000732697_200000210301 [0,2,0,0,0,0|2,0,0]=4 2137 B8R0.13 CNC(=O)C(C)(C)SC 62a_200000210301_100000732697 [0,2,0,0,0,0|2,0,0]=4 2138 B8R0.13 CNC(=O)C(C)(C)S[13CH3] 62a_100000732697_200025704644 [0,2,0,0,0,0|2,0,0]=4 2139 B8R0.13 CNC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000732697 [0,2,0,0,0,0|2,0,0]=4 2140 B8R0.13 CNC(C)(C)C(=O)OC 2230a_106832991635_100000689032 [0,2,0,0,0,0|2,0,0]=4 2141 B8R0.13 CNC(C)(F)C(=O)OC 2230a_106832991635_200009867631 [0,2,0,0,0,0|2,0,0]=4 2142 B8R0.13 CNC(C)(F)C(=O)OC 34a_100102657272_200009867631 [0,2,0,0,0,0|2,0,0]=4 2143 B8R0.13 CNC(F)(F)C(=O)OC 34a_100102657272_100000211177 [0,2,0,0,0,0|2,0,0]=4 2144 B8R0.13 CNC(F)(F)C(=O)OC 7a_106832991635_100000211177 [0,2,0,0,0,0|2,0,0]=4 2145 B8R0.13 COC(=O)C(C)(C)OC 34a_100011217581_200000210301 [0,2,0,0,0,0|2,0,0]=4 2146 B8R0.13 COC(=O)C(C)(C)OC 7a_100011217581_200000210301 [0,2,0,0,0,0|2,0,0]=4 2147 B8R0.13 COC(=O)C(C)(C)O[13CH3] 34a_100011217581_200025704644 [0,2,0,0,0,0|2,0,0]=4 2148 B8R0.13 COC(=O)C(C)(C)O[13CH3] 7a_100011217581_200025704644 [0,2,0,0,0,0|2,0,0]=4 2149 B8R0.13 COC(=O)C(C)(C)SC 62a_100000689032_200000210301 [0,2,0,0,0,0|2,0,0]=4 2150 B8R0.13 COC(=O)C(C)(C)SC 62a_200000210301_100000689032 [0,2,0,0,0,0|2,0,0]=4 2151 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_100000689032_200025704644 [0,2,0,0,0,0|2,0,0]=4 2152 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000689032 [0,2,0,0,0,0|2,0,0]=4 2153 B8R0.13 COC(=O)C(C)(F)OC 34a_100138415774_200009867631 [0,2,0,0,0,0|2,0,0]=4 2154 B8R0.13 COC(=O)C(C)(F)SC 62a_200000210301_200009867631 [0,2,0,0,0,0|2,0,0]=4 2155 B8R0.13 COC(=O)C(C)(F)SC 62a_200009867631_200000210301 [0,2,0,0,0,0|2,0,0]=4 2156 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200009867631_200025704644 [0,2,0,0,0,0|2,0,0]=4 2157 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200025704644_200009867631 [0,2,0,0,0,0|2,0,0]=4 2158 B8R0.13 COC(=O)C(F)(F)OC 34a_100138415774_100000211177 [0,2,0,0,0,0|2,0,0]=4 2159 B8R0.13 COC(=O)C(F)(F)SC 62a_100000211177_200000210301 [0,2,0,0,0,0|2,0,0]=4 2160 B8R0.13 COC(=O)C(F)(F)SC 62a_200000210301_100000211177 [0,2,0,0,0,0|2,0,0]=4 2161 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_100000211177_200025704644 [0,2,0,0,0,0|2,0,0]=4 2162 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000211177 [0,2,0,0,0,0|2,0,0]=4 2163 B8R0.13 COC(C)(C)C(=O)CF 1458a_100000753492_100015361967 [0,2,0,0,0,0|2,0,0]=4 2164 B8R0.20 C#CC(=O)C(CC)CC 1458a_100000211873_100000210505 [0,2,0,0,0,0|1,0,1]=4 2165 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [0,2,0,0,0,0|1,0,1]=4 2166 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,2,0,0,0,0|1,0,0]=3 2167 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,2,0,0,0,0|1,0,0]=3 2168 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,2,0,0,0,0|0,1,0]=3 2169 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,2,0,0,0,0|0,1,0]=3 2170 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,2,0,0,0,0|0,1,0]=3 2171 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,2,0,0,0,0|0,1,0]=3 2172 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,2,0,0,0,0|0,1,0]=3 2173 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [0,2,0,0,0,0|1,1,0]=4 2174 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 2175 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 2176 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 2177 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 2178 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [0,2,0,0,0,0|1,0,0]=3 2179 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,2,0,0,0,0|1,0,0]=3 2180 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [0,2,0,0,0,0|1,0,0]=3 2181 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [0,2,0,0,0,0|1,0,0]=3 2182 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [0,2,0,0,0,0|1,0,0]=3 2183 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [0,2,0,0,0,0|1,0,0]=3 2184 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,2,0,0,0,0|1,0,0]=3 2185 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,2,0,0,0,0|1,0,0]=3 2186 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,2,0,0,0,0|1,0,0]=3 2187 B8R0.20 CCC(OC)C(=O)CF 1458a_100000747056_100015361967 [0,2,0,0,0,0|0,1,0]=3 2188 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [0,2,0,0,0,0|0,1,0]=3 2189 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [0,2,0,0,0,0|0,1,0]=3 2190 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [0,2,0,0,0,0|0,1,0]=3 2191 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [0,2,0,0,0,0|0,1,0]=3 2192 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,2,0,0,0,0|0,1,0]=3 2193 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,2,0,0,0,0|0,1,0]=3 2194 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,2,0,0,0,0|0,1,0]=3 2195 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,2,0,0,0,0|0,1,0]=3 2196 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,2,0,0,0,0|0,1,0]=3 2197 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,2,0,0,0,0|0,0,0]=2 2198 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,2,0,0,0,0|0,0,0]=2 2199 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,2,0,0,0,0|0,0,0]=2 2200 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,2,0,0,0,0|0,0,0]=2 2201 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [0,2,0,0,0,0|2,0,0]=4 2202 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [0,2,0,0,0,0|2,0,0]=4 2203 B8R0.20 CCN(CC)C(=O)NC 2708a_100102657272_100000724800 [0,2,0,0,0,0|2,0,0]=4 2204 B8R0.20 CCN(CC)C(=O)NC 273464a_100102657272_100000724800 [0,2,0,0,0,0|2,0,0]=4 2205 B8R0.20 CC[C@H](NC)C(=O)NC 2230a_106657271573_200000210301 [0,2,0,0,0,0|1,0,0]=3 2206 B8R0.20 CC[C@H](NC)C(=O)NC 34a_106657271573_200000210301 [0,2,0,0,0,0|1,0,0]=3 2207 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 2230a_106657271573_200025704644 [0,2,0,0,0,0|1,0,0]=3 2208 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 34a_106657271573_200025704644 [0,2,0,0,0,0|1,0,0]=3 2209 B8R0.20 CNC(=O)C(OC)OC 11a_106832991635_100000046285 [0,2,0,0,0,0|1,1,0]=4 2210 B8R0.20 CNC(=O)C(OC)OC 240690a_100102657272_100000046285 [0,2,0,0,0,0|1,1,0]=4 2211 B8R0.20 CNC(=O)C(OC)OC 527a_100102657272_100000046285 [0,2,0,0,0,0|1,1,0]=4 2212 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,2,0,0,0,0|1,1,0]=4 2213 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [0,2,0,0,0,0|1,1,0]=4 2214 B8R0.20 CNC(OC)C(=O)OC 34a_100102657272_100000101307 [0,2,0,0,0,0|1,1,0]=4 2215 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [0,2,0,0,0,0|1,1,0]=4 2216 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [0,2,0,0,0,0|1,0,1]=4 2217 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [0,2,0,0,0,0|1,0,1]=4 2218 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [0,2,0,0,0,0|1,0,1]=4 2219 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [0,2,0,0,0,0|1,0,1]=4 2220 B8R0.20 COC(=O)C(CN)OC 34a_100000695228_200000210301 [0,2,0,0,0,0|1,1,0]=4 2221 B8R0.20 COC(=O)C(CN)O[13CH3] 34a_100000695228_200025704644 [0,2,0,0,0,0|1,1,0]=4 2222 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [0,2,0,0,0,0|1,1,0]=4 2223 B8R0.20 COC(=O)C(CO)SC 62a_100012276630_200000210301 [0,2,0,0,0,0|1,0,0]=3 2224 B8R0.20 COC(=O)C(CO)SC 62a_200000210301_100012276630 [0,2,0,0,0,0|1,0,0]=3 2225 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_100012276630_200025704644 [0,2,0,0,0,0|1,0,0]=3 2226 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_200025704644_100012276630 [0,2,0,0,0,0|1,0,0]=3 2227 B8R0.20 COC(=O)C(OC)OC 34a_100000036821_200000210301 [0,2,0,0,0,0|1,1,0]=4 2228 B8R0.20 COC(=O)C(OC)OC 34a_100138415774_100000101307 [0,2,0,0,0,0|1,1,0]=4 2229 B8R0.20 COC(=O)C(OC)O[13CH3] 34a_100000036821_200025704644 [0,2,0,0,0,0|1,1,0]=4 2230 B8R0.20 COC(=O)C(OC)SC 62a_100000101307_200000210301 [0,2,0,0,0,0|1,0,0]=3 2231 B8R0.20 COC(=O)C(OC)SC 62a_200000210301_100000101307 [0,2,0,0,0,0|1,0,0]=3 2232 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_100000101307_200025704644 [0,2,0,0,0,0|1,0,0]=3 2233 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_200025704644_100000101307 [0,2,0,0,0,0|1,0,0]=3 2234 B8R0.20 COC(OC)C(=O)CF 1458a_100000046285_100015361967 [0,2,0,0,0,0|1,1,0]=4 2235 B8R0.36 CC(=O)C(C)(CO)CO 1458a_100000693232_200000210301 [0,2,0,0,0,0|1,1,0]=4 2236 B8R0.36 CC(CO)(CO)C(=O)[13CH3] 1458a_100000693232_200025704644 [0,2,0,0,0,0|1,1,0]=4 2237 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000070787_100009817345 [0,2,0,0,0,0|1,0,0]=3 2238 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000760562_200000210301 [0,2,0,0,0,0|1,0,0]=3 2239 B8R0.36 CCC(C)(CC)C(=O)[13CH3] 1458a_100000760562_200025704644 [0,2,0,0,0,0|1,0,0]=3 2240 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,2,0,0,0,0|2,0,0]=4 2241 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,2,0,0,0,0|2,0,0]=4 2242 B8R0.37 CC(=O)C(C)(C)N(C)C 1458a_100000688961_200000210301 [0,2,0,0,0,0|2,0,0]=4 2243 B8R0.37 CC(=O)C(C)(C)N(C)C 269982a_100102631434_100000075568 [0,2,0,0,0,0|2,0,0]=4 2244 B8R0.37 CC(=O)C(F)(F)C(F)F 1458a_100000011665_200000210301 [0,2,0,0,0,0|2,0,0]=4 2245 B8R0.37 CN(C)C(C)(C)C(=O)[13CH3] 1458a_100000688961_200025704644 [0,2,0,0,0,0|2,0,0]=4 2246 B8R0.37 [13CH3]C(=O)C(F)(F)C(F)F 1458a_100000011665_200025704644 [0,2,0,0,0,0|2,0,0]=4 2247 B8R0.27 CC(=O)C(C)C(F)(F)F 1458a_100000137572_200000210301 [0,2,0,0,0,0|2,0,0]=4 2248 B8R0.27 CC(=O)C(F)C(F)(F)F 1458a_100000038942_200000210301 [0,2,0,0,0,0|2,0,0]=4 2249 B8R0.27 CC(=O)C(O)C(F)(F)F 1458a_100011204880_200000210301 [0,2,0,0,0,0|1,1,0]=4 2250 B8R0.27 CC(=O)N(C)C(C)(C)C 11a_100011215553_100015343762 [0,2,0,0,0,0|2,0,0]=4 2251 B8R0.27 CC(=O)N(C)C(C)(C)C 1626a_100011215553_100015343762 [0,2,0,0,0,0|2,0,0]=4 2252 B8R0.27 CC(=O)N(C)C(C)(C)C 240690a_100011215553_100015343762 [0,2,0,0,0,0|2,0,0]=4 2253 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [0,2,0,0,0,0|0,1,0]=3 2254 B8R0.27 CC(C(=O)[13CH3])C(F)(F)F 1458a_100000137572_200025704644 [0,2,0,0,0,0|2,0,0]=4 2255 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [0,2,0,0,0,0|0,1,0]=3 2256 B8R0.27 [13CH3]C(=O)C(F)C(F)(F)F 1458a_100000038942_200025704644 [0,2,0,0,0,0|2,0,0]=4 2257 B8R0.27 [13CH3]C(=O)C(O)C(F)(F)F 1458a_100011204880_200025704644 [0,2,0,0,0,0|1,1,0]=4 2258 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [0,2,0,0,0,0|0,0,1]=3 2259 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [0,2,0,0,0,0|0,0,1]=3 2260 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [0,2,0,0,0,0|1,0,0]=3 2261 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [0,2,0,0,0,0|1,0,0]=3 2262 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,2,0,0,0,0|2,0,0]=4 2263 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,2,0,0,0,0|2,0,0]=4 2264 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [0,2,0,0,0,0|0,1,0]=3 2265 B8R0.18 CCC(C(=O)C)N(C)C 1458a_100000689100_200000210301 [0,2,0,0,0,0|1,0,0]=3 2266 B8R0.18 CCC(C(=O)N)N(C)C 2230a_100102631434_100000750255 [0,2,0,0,0,0|2,0,0]=4 2267 B8R0.18 CCC(C(=O)N)N(C)C 269982a_100102631434_100000750255 [0,2,0,0,0,0|2,0,0]=4 2268 B8R0.18 CCC(C(=O)[13CH3])N(C)C 1458a_100000689100_200025704644 [0,2,0,0,0,0|1,0,0]=3 2269 B8R0.18 CCN(C(=O)C)C(C)C 11a_100000223864_100015343762 [0,2,0,0,0,0|2,0,0]=4 2270 B8R0.18 CCN(C(=O)C)C(C)C 1626a_100000223864_100015343762 [0,2,0,0,0,0|2,0,0]=4 2271 B8R0.18 CCN(C(=O)C)C(C)C 240690a_100000223864_100015343762 [0,2,0,0,0,0|2,0,0]=4 2272 B8R0.18 CCN(C(=O)C)C(C)C 527a_100000223864_100103153847 [0,2,0,0,0,0|2,0,0]=4 2273 B8R0.18 CC[C@@H](C(=O)N)N(C)C 2230a_103436537554_200000210301 [0,2,0,0,0,0|2,0,0]=4 2274 B8R0.18 CC[C@@H](C(=O)N)N(C)C 269982a_103436537554_200000210301 [0,2,0,0,0,0|2,0,0]=4 2275 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 2230a_103436537554_200025704644 [0,2,0,0,0,0|2,0,0]=4 2276 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 269982a_103436537554_200025704644 [0,2,0,0,0,0|2,0,0]=4 2277 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,2,0,0,0,0|2,0,0]=4 2278 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,2,0,0,0,0|2,0,0]=4 2279 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,2,0,0,0,0|2,0,0]=4 2280 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,2,0,0,0,0|2,0,0]=4 2281 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 2282 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,2,0,0,0,0|1,1,0]=4 2283 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [0,2,0,0,0,0|0,0,1]=3 2284 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [0,2,0,0,0,0|0,0,1]=3 2285 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [0,2,0,0,0,0|1,0,0]=3 2286 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [0,2,0,0,0,0|1,0,0]=3 2287 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 2288 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,1,0,0|2,0,0]=4 2289 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,1,0,0|2,0,0]=4 2290 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,1,0,0|2,0,0]=4 2291 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,1,0,0|2,0,0]=4 2292 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 2293 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 2294 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 2295 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 2296 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 2297 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 2298 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|0,0,0]=2 2299 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|1,0,0]=3 2300 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [1,0,0,1,0,0|2,0,0]=4 2301 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [1,0,0,1,0,0|2,0,0]=4 2302 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [1,0,0,1,0,0|2,0,0]=4 2303 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [1,0,0,1,0,0|2,0,0]=4 2304 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [1,0,0,1,0,0|2,0,0]=4 2305 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|0,0,0]=2 2306 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|1,0,0]=3 2307 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,1,0,0|2,0,0]=4 2308 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,1,0,0|2,0,0]=4 2309 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,1,0,0|2,0,0]=4 2310 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,1,0,0|2,0,0]=4 2311 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [1,0,0,1,0,0|2,0,0]=4 2312 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [1,0,0,1,0,0|2,0,0]=4 2313 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [1,0,0,1,0,0|2,0,0]=4 2314 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [1,0,0,1,0,0|2,0,0]=4 2315 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,1,0,0|2,0,0]=4 2316 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,1,0,0|2,0,0]=4 2317 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,1,0,0|2,0,0]=4 2318 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [1,0,0,1,0,0|2,0,0]=4 2319 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [1,0,0,1,0,0|2,0,0]=4 2320 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,1,0,0|2,0,0]=4 2321 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,1,0,0|2,0,0]=4 2322 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [1,0,0,1,0,0|2,0,0]=4 2323 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [1,0,0,1,0,0|2,0,0]=4 2324 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [1,0,0,1,0,0|2,0,0]=4 2325 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [1,0,0,1,0,0|2,0,0]=4 2326 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,0,0,1,0,1|2,0,0]=4 2327 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,0,0,1,0,1|2,0,0]=4 2328 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,0,0,1,0,1|2,0,0]=4 2329 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,0,0,1,0,1|2,0,0]=4 2330 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,0,0,1,0,1|2,0,0]=4 2331 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,0,0,1,0,1|2,0,0]=4 2332 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,0,0,1,0,1|2,0,0]=4 2333 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,0,0,1,0,1|2,0,0]=4 2334 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,0,0,1,0,1|0,1,1]=4 2335 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,0,0,1,0,1|1,0,0]=3 2336 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,0,0,1,0,1|1,0,0]=3 2337 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,0,0,1,0,1|1,0,0]=3 2338 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,0,0,1,0,1|1,0,1]=4 2339 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,0,0,1,0,1|1,0,0]=3 2340 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,0,0,1,0,1|1,0,0]=3 2341 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,0,0,1,0,1|0,1,0]=3 2342 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,0,0,1,0,1|2,0,0]=4 2343 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,0,0,1,0,1|2,0,0]=4 2344 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,0,0,1,0,1|1,0,0]=3 2345 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,0,0,1,0,1|1,0,0]=3 2346 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,0,0,1,0,1|1,0,0]=3 2347 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,0,0,1,0,1|1,0,0]=3 2348 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [0,0,0,1,0,1|2,0,0]=4 2349 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [0,0,0,1,0,1|2,0,0]=4 2350 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [0,0,0,1,0,1|2,0,0]=4 2351 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [0,0,0,1,0,1|2,0,0]=4 2352 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [0,0,0,1,0,1|2,0,0]=4 2353 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [0,0,0,1,0,1|2,0,0]=4 2354 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [0,0,0,1,0,1|2,0,0]=4 2355 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [0,0,0,1,0,1|2,0,0]=4 2356 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,0,0,1,0,1|1,0,1]=4 2357 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,0,0,1,0,1|1,0,0]=3 2358 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,0,0,1,0,1|2,0,0]=4 2359 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,0,0,1,0,1|1,0,0]=3 2360 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,0,0,1,0,1|2,0,0]=4 2361 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [0,0,0,1,0,1|1,0,0]=3 2362 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [0,0,0,1,0,1|1,0,0]=3 2363 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [0,0,0,1,0,1|1,0,0]=3 2364 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [0,0,0,1,0,1|1,0,0]=3 2365 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,0,0,1,0,1|1,0,0]=3 2366 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,0,1,0,1|1,0,0]=3 2367 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,0,1,0,1|1,0,0]=3 2368 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,1,0,1,0,0|1,0,1]=4 2369 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,1,0,1,0,0|1,0,1]=4 2370 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,1,0,1,0,0|0,1,1]=4 2371 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,1,0,1,0,0|1,0,1]=4 2372 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,1,0,1,0,0|1,0,0]=3 2373 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,1,0,1,0,0|1,0,0]=3 2374 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,1,0,1,0,0|0,0,0]=2 2375 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,1,0,1,0,0|0,1,0]=3 2376 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,1,0,1,0,0|0,1,0]=3 2377 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,1,0,1,0,0|2,0,0]=4 2378 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,1,0,1,0,0|2,0,0]=4 2379 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,1,0,1,0,0|1,0,0]=3 2380 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,1,0,1,0,0|1,0,0]=3 2381 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,1,0,1,0,0|1,0,0]=3 2382 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,1,0,1,0,0|0,1,0]=3 2383 B8R1.7 CN(C)C1CCSC1 270004a_100102631434_100000212027 [0,1,0,1,0,0|2,0,0]=4 2384 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,1,0,1,0,0|1,0,1]=4 2385 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,1,0,1,0,0|1,0,1]=4 2386 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,1,0,1,0,0|0,1,1]=4 2387 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,1,0,1,0,0|1,0,1]=4 2388 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,1,0,1,0,0|1,0,0]=3 2389 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,1,0,1,0,0|0,0,0]=2 2390 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,1,0,1,0,0|0,1,0]=3 2391 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,1,0,1,0,0|0,1,0]=3 2392 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|1,0,0]=3 2393 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,1,0,0|1,0,0]=3 2394 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,1,0,0|1,0,0]=3 2395 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,1,0,1,0,0|2,0,0]=4 2396 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,1,0,1,0,0|2,0,0]=4 2397 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,1,0,1,0,0|1,0,1]=4 2398 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,1,0,1,0,0|1,0,1]=4 2399 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,1,0,1,0,0|1,0,0]=3 2400 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,1,0,1,0,0|1,0,0]=3 2401 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,1,0,1,0,0|1,0,0]=3 2402 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,1,0,1,0,0|2,0,0]=4 2403 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,1,0,1,0,0|2,0,0]=4 2404 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,1,0,1,0,0|2,0,0]=4 2405 B8R1.23 CC(=O)N1CC(C1)F 11a_100000690557_100015343762 [0,1,0,1,0,0|2,0,0]=4 2406 B8R1.23 CC(=O)N1CC(C1)F 240690a_100000690557_100015343762 [0,1,0,1,0,0|2,0,0]=4 2407 B8R1.23 CC(=O)N1CC(C1)F 527a_100000690557_100103153847 [0,1,0,1,0,0|2,0,0]=4 2408 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,1,0,1,0,0|2,0,0]=4 2409 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,1,0,1,0,0|2,0,0]=4 2410 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,1,0,1,0,0|2,0,0]=4 2411 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,1,0,1,0,0|1,0,1]=4 2412 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,1,0,1,0,0|1,0,0]=3 2413 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,1,0,1,0,0|1,0,0]=3 2414 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,1,0,1,0,0|2,0,0]=4 2415 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,1,0,1,0,0|1,0,0]=3 2416 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,1,0,1,0,0|1,0,0]=3 2417 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,1,0,1,0,0|1,0,1]=4 2418 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 2419 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,1,0,1,0,0|2,0,0]=4 2420 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [0,1,0,1,0,0|2,0,0]=4 2421 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [0,1,0,1,0,0|2,0,0]=4 2422 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [0,1,0,1,0,0|2,0,0]=4 2423 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [0,1,0,1,0,0|2,0,0]=4 2424 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,1,0,1,0,0|1,0,0]=3 2425 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,1,0,1,0,0|0,1,0]=3 2426 B8R1.78 CC(=O)C1(COC1)C 1458a_100000094709_200000210301 [0,1,0,1,0,0|1,0,0]=3 2427 B8R1.78 CC(=O)C1(COC1)O 1458a_100010273515_200000210301 [0,1,0,1,0,0|0,1,0]=3 2428 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,1,0,1,0,0|1,0,0]=3 2429 B8R1.78 CC1(COC1)C(=O)[13CH3] 1458a_100000094709_200025704644 [0,1,0,1,0,0|1,0,0]=3 2430 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,1,0,1,0,0|0,1,0]=3 2431 B8R1.78 [13CH3]C(=O)C1(COC1)O 1458a_100010273515_200025704644 [0,1,0,1,0,0|0,1,0]=3 2432 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,1,0,0|1,0,0]=3 2433 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,1,0,0|1,0,0]=3 2434 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,1,0,0|1,0,0]=3 2435 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,1,0,0|2,0,0]=4 2436 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,1,0,0|2,0,0]=4 2437 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|2,0,0]=4 2438 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|2,0,0]=4 2439 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|2,0,0]=4 2440 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|0,1,0]=3 2441 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|0,1,0]=3 2442 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,1,0,0|1,1,0]=4 2443 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,1,0,0|1,1,0]=4 2444 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|0,0,0]=2 2445 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|0,0,0]=2 2446 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,1,0,0|1,0,0]=3 2447 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,1,0,0|1,0,0]=3 2448 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,1,0,0|0,0,2]=4 2449 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,1,0,0|0,0,2]=4 2450 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,1,0,0|2,0,0]=4 2451 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,1,0,0|2,0,0]=4 2452 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|0,1,0]=3 2453 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,1,0,0|1,1,0]=4 2454 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|0,0,0]=2 2455 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|0,0,0]=2 2456 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,1,0,0|1,0,0]=3 2457 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,1,0,0|1,0,0]=3 2458 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,1,0,0|0,0,2]=4 2459 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,1,0,0|0,0,2]=4 2460 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,1,0,1,0,0|1,0,1]=4 2461 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,1,0,1,0,0|1,0,1]=4 2462 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,1,0,0|1,0,0]=3 2463 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,1,0,0|1,0,0]=3 2464 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,1,0,0|0,1,0]=3 2465 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,1,0,1,0,0|2,0,0]=4 2466 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,1,0,1,0,0|2,0,0]=4 2467 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,1,0,1,0,0|2,0,0]=4 2468 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,1,0,1,0,0|2,0,0]=4 2469 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,1,0,1,0,0|2,0,0]=4 2470 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,1,0,1,0,0|1,0,0]=3 2471 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 2472 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 2473 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 2474 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,1,0,1,0,0|0,1,0]=3 2475 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,1,0,1,0,0|0,1,0]=3 2476 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,1,0,1,0,0|0,1,0]=3 2477 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,1,0,1,0,0|0,1,0]=3 2478 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,1,0,1,0,0|2,0,0]=4 2479 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 2480 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 2481 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 2482 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,1,0,1,0,0|2,0,0]=4 2483 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,1,0,1,0,0|2,0,0]=4 2484 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,1,0,1,0,0|1,0,0]=3 2485 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,1,0,1,0,0|0,1,0]=3 2486 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [0,1,0,1,0,0|2,0,0]=4 2487 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,1,0,0|1,0,0]=3 2488 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,1,0,1,0,0|2,0,0]=4 2489 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,1,0,0|2,0,0]=4 2490 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,1,0,0|2,0,0]=4 2491 B8R1.39 CC1(CC1)C(=O)CF 1458a_100000756474_100015361967 [0,1,0,1,0,0|1,0,0]=3 2492 B8R1.39 CCC(=O)C1(CC1)C 1458a_100000756474_100000210202 [0,1,0,1,0,0|1,0,0]=3 2493 B8R1.39 CCC(=O)C1(CC1)F 1458a_100000055089_100000210202 [0,1,0,1,0,0|1,0,0]=3 2494 B8R1.39 CCC(=O)C1(CC1)O 1458a_100000241761_100000210202 [0,1,0,1,0,0|0,1,0]=3 2495 B8R1.39 CNC(=O)C1(CC1)C 11a_106832991635_100000756474 [0,1,0,1,0,0|1,0,0]=3 2496 B8R1.39 CNC(=O)C1(CC1)C 1626a_100102657272_100000756474 [0,1,0,1,0,0|1,0,0]=3 2497 B8R1.39 CNC(=O)C1(CC1)C 240690a_100102657272_100000756474 [0,1,0,1,0,0|1,0,0]=3 2498 B8R1.39 CNC(=O)C1(CC1)C 527a_100102657272_100000756474 [0,1,0,1,0,0|1,0,0]=3 2499 B8R1.39 CNC(=O)C1(CC1)F 11a_106832991635_100000055089 [0,1,0,1,0,0|1,0,0]=3 2500 B8R1.39 CNC(=O)C1(CC1)F 1626a_100102657272_100000055089 [0,1,0,1,0,0|1,0,0]=3 2501 B8R1.39 CNC(=O)C1(CC1)F 240690a_100102657272_100000055089 [0,1,0,1,0,0|1,0,0]=3 2502 B8R1.39 CNC(=O)C1(CC1)F 527a_100102657272_100000055089 [0,1,0,1,0,0|1,0,0]=3 2503 B8R1.39 CNC(=O)C1(CC1)O 240690a_100102657272_100000241761 [0,1,0,1,0,0|0,1,0]=3 2504 B8R1.39 O=C(CF)C1(CC1)F 1458a_100000055089_100015361967 [0,1,0,1,0,0|1,0,0]=3 2505 B8R1.39 O=C(CF)C1(CC1)O 1458a_100000241761_100015361967 [0,1,0,1,0,0|0,1,0]=3 2506 B8R1.63 C#CC1(CC1)C(=O)C 1458a_100000139144_200000210301 [0,1,0,1,0,0|1,0,0]=3 2507 B8R1.63 C#CC1(CC1)C(=O)[13CH3] 1458a_100000139144_200025704644 [0,1,0,1,0,0|1,0,0]=3 2508 B8R1.63 CC(=O)C1(CC1)C#N 1458a_100000070787_100009889376 [0,1,0,1,0,0|1,0,0]=3 2509 B8R1.63 CC(=O)C1(CC1)C#N 1458a_100000691320_200000210301 [0,1,0,1,0,0|1,0,0]=3 2510 B8R1.63 CC(=O)C1(CC1)CO 1458a_100012027107_200000210301 [0,1,0,1,0,0|0,1,0]=3 2511 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_100000086384_200025704644 [0,1,0,1,0,0|0,0,0]=2 2512 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_200025704644_100000086384 [0,1,0,1,0,0|0,0,0]=2 2513 B8R1.63 CNC1(CC1)C(=O)N 2230a_100000687655_200000210301 [0,1,0,1,0,0|2,0,0]=4 2514 B8R1.63 CNC1(CC1)C(=O)N 34a_100102657272_100010760883 [0,1,0,1,0,0|2,0,0]=4 2515 B8R1.63 CNC1(CC1)C(=O)N 7a_106832991635_100010760883 [0,1,0,1,0,0|2,0,0]=4 2516 B8R1.63 CNC1(CC1)C(=O)O 269956a_100000746478_200000210301 [0,1,0,1,0,0|2,0,0]=4 2517 B8R1.63 COC1(CC1)C(=O)C 1458a_100000137688_200000210301 [0,1,0,1,0,0|0,1,0]=3 2518 B8R1.63 COC1(CC1)C(=O)N 34a_100138415774_100010760883 [0,1,0,1,0,0|1,1,0]=4 2519 B8R1.63 COC1(CC1)C(=O)[13CH3] 1458a_100000137688_200025704644 [0,1,0,1,0,0|0,1,0]=3 2520 B8R1.63 CSC1(CC1)C(=O)C 62a_100000086384_200000210301 [0,1,0,1,0,0|0,0,0]=2 2521 B8R1.63 CSC1(CC1)C(=O)C 62a_200000210301_100000086384 [0,1,0,1,0,0|0,0,0]=2 2522 B8R1.63 CSC1(CC1)C(=O)N 62a_100010760883_200000210301 [0,1,0,1,0,0|1,0,0]=3 2523 B8R1.63 CSC1(CC1)C(=O)N 62a_200000210301_100010760883 [0,1,0,1,0,0|1,0,0]=3 2524 B8R1.63 [13CH3]C(=O)C1(CC1)C#N 1458a_100000691320_200025704644 [0,1,0,1,0,0|1,0,0]=3 2525 B8R1.63 [13CH3]C(=O)C1(CC1)CO 1458a_100012027107_200025704644 [0,1,0,1,0,0|0,1,0]=3 2526 B8R1.63 [13CH3]NC1(CC1)C(=O)N 2230a_100000687655_200025704644 [0,1,0,1,0,0|2,0,0]=4 2527 B8R1.63 [13CH3]NC1(CC1)C(=O)O 269956a_100000746478_200025704644 [0,1,0,1,0,0|2,0,0]=4 2528 B8R1.63 [13CH3]SC1(CC1)C(=O)N 62a_100010760883_200025704644 [0,1,0,1,0,0|1,0,0]=3 2529 B8R1.63 [13CH3]SC1(CC1)C(=O)N 62a_200025704644_100010760883 [0,1,0,1,0,0|1,0,0]=3 2530 B8R1.77 CC(=O)C1CC1(F)F 1458a_100000042250_200000210301 [0,1,0,1,0,0|2,0,0]=4 2531 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,1,0,1,0,0|1,0,0]=3 2532 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,1,0,1,0,0|1,0,0]=3 2533 B8R1.77 [13CH3]C(=O)C1CC1(F)F 1458a_100000042250_200025704644 [0,1,0,1,0,0|2,0,0]=4 2534 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,0,0,0,0,2|2,0,0]=4 2535 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,0,0,0,0,2|2,0,0]=4 2536 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,0,0,0,0,2|2,0,0]=4 2537 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,0,0,0,0,2|2,0,0]=4 2538 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,0,0,0,0,2|2,0,0]=4 2539 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,0,0,0,0,2|2,0,0]=4 2540 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,0,0,0,0,2|2,0,0]=4 2541 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,0,0,0,0,2|2,0,0]=4 2542 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [0,0,0,0,0,2|2,0,0]=4 2543 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [0,0,0,0,0,2|2,0,0]=4 2544 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,0,0,0,0,2|1,1,0]=4 2545 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,0,0,0,0,2|1,1,0]=4 2546 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,0,0,0,0,2|0,1,1]=4 2547 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,0,0,0,0,2|0,1,1]=4 2548 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,0,0,0,0,2|0,1,1]=4 2549 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,0,0,0,0,2|0,1,1]=4 2550 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,0,0,0,0,2|0,1,1]=4 2551 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,0,0,0,0,2|0,1,1]=4 2552 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,0,0,0,0,2|0,1,1]=4 2553 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,0,0,0,0,2|1,0,0]=3 2554 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,0,0,0,0,2|1,0,0]=3 2555 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,0,0,0,0,2|1,0,0]=3 2556 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,0,0,0,0,2|1,0,0]=3 2557 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,0,0,0,0,2|1,0,0]=3 2558 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,0,0,0,0,2|1,0,0]=3 2559 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,0,0,0,0,2|2,0,0]=4 2560 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,0,0,0,0,2|2,0,0]=4 2561 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,0,0,0,0,2|2,0,0]=4 2562 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,0,0,0,0,2|1,0,0]=3 2563 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,0,0,0,0,2|1,0,0]=3 2564 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,0,0,0,0,2|2,0,0]=4 2565 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,0,0,0,0,2|2,0,0]=4 2566 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,0,0,0,0,2|2,0,0]=4 2567 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,0,0,0,0,2|2,0,0]=4 2568 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,0,0,0,0,2|2,0,0]=4 2569 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,0,0,0,0,2|0,1,0]=3 2570 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,0,0,0,0,2|0,1,0]=3 2571 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,0,0,0,0,2|0,1,0]=3 2572 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,0,0,0,0,2|2,0,0]=4 2573 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,0,0,0,0,2|2,0,0]=4 2574 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,0,0,0,0,2|2,0,0]=4 2575 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,0,0,0,0,2|2,0,0]=4 2576 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,0,0,0,0,2|1,1,0]=4 2577 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,0,0,0,0,2|1,1,0]=4 2578 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,0,0,0,0,2|2,0,0]=4 2579 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,0,0,0,0,2|2,0,0]=4 2580 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,0,0,0,0,2|2,0,0]=4 2581 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,0,0,0,0,2|2,0,0]=4 2582 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,0,0,0,0,2|2,0,0]=4