0 B8R0.23 C=C(C)CN(C)C(=O)C 11a_100000225649_100015343762 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.23 C=C(C)CN(C)C(=O)C 1626a_100000225649_100015343762 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.23 C=C(C)CN(C)C(=O)C 527a_100000225649_100103153847 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,0,0,0,0,0|2,0,1]=3 20 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,0,0,0,0,0|1,0,0]=1 21 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [0,0,0,0,0,0|1,0,0]=1 22 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [0,0,0,0,0,0|1,0,0]=1 23 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [0,0,0,0,0,0|1,0,0]=1 24 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,0,0,0,0,0|1,0,0]=1 25 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,0,0,0,0,0|2,0,0]=2 26 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,0,0,0,0,0|4,0,0]=4 27 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,0,0,0,0,0|2,0,0]=2 28 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,0,0,0,0,0|2,0,1]=3 30 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,0,0,0,0,0|1,0,1]=2 35 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,0,0,0,0,0|2,0,1]=3 36 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,0,0,0,0,0|2,0,1]=3 37 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,0,0,0,0,0|2,0,2]=4 39 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,0,0,0,0,0|4,0,0]=4 44 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,0,0,0,0,0|4,0,0]=4 45 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [1,0,0,0,0,0|1,0,1]=3 47 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [1,0,0,0,0,0|1,0,1]=3 48 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [1,0,0,0,0,0|1,0,1]=3 50 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,0,0,0,0,0|1,0,1]=3 53 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [1,0,0,0,0,0|1,0,1]=3 54 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [1,0,0,0,0,0|1,0,1]=3 55 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [1,0,0,0,0,0|1,0,1]=3 56 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [1,0,0,0,0,0|1,0,1]=3 57 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [1,0,0,0,0,0|1,0,1]=3 58 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [1,0,0,0,0,0|1,0,1]=3 59 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [1,0,0,0,0,0|1,0,1]=3 60 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,0,0,0,0,0|0,0,1]=2 61 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,0,0,0,0,0|0,0,1]=2 62 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [1,0,0,0,0,0|3,0,0]=4 64 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [1,0,0,0,0,0|1,0,2]=4 65 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [1,0,0,0,0,0|1,0,2]=4 66 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [1,0,0,0,0,0|1,0,2]=4 67 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,0,0,0,0,0|1,0,1]=3 71 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,0,0,0,0,0|1,0,1]=3 72 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,0,0,0,0,0|1,0,1]=3 73 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,0,0,0,0,0|1,0,1]=3 74 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [1,0,0,0,0,0|3,0,0]=4 76 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,0,0,0,0,0|3,0,0]=4 81 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,0,0,0,0,0|3,0,0]=4 82 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,0,0,0,0|2,0,0]=3 83 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,0,0,0,0,0|1,0,1]=3 87 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,0,0,0,0,0|1,0,1]=3 88 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,0,0,0,0|0,0,1]=2 90 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,0,0,0,0,0|1,0,1]=3 91 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,0,0,0,0,0|1,0,1]=3 92 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,0,0,0,0,0|1,0,2]=4 97 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,0,0,0,0,0|2,0,1]=4 101 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,0,0,0,0,0|2,0,1]=4 102 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,0,0,0,0,0|2,0,1]=4 103 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,0,0,0,0,0|2,0,1]=4 104 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,0,0,0,0,0|2,0,1]=4 105 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,0,0,0,0|2,0,0]=3 106 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,0,0,0,0|3,0,0]=4 107 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,0,0,0,0,0|3,0,0]=4 108 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,0,0,0,0,0|3,0,0]=4 109 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,0,0,0,0,0|3,0,0]=4 110 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,0,0,0,0,0|3,0,0]=4 111 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,0,0,0,0,0|3,0,0]=4 112 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,0,0,0,0,0|3,0,0]=4 113 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,0,0,0,0,0|3,0,0]=4 114 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [1,0,0,0,0,0|2,0,1]=4 115 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,0,0,0,0,0|1,0,1]=3 116 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,0,0,0,0|3,0,0]=4 117 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,0,0,0,0,0|3,0,0]=4 118 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,0,0,0,0,0|3,0,0]=4 119 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,0,0,0,0,0|3,0,0]=4 120 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [1,0,0,0,0,0|2,0,0]=3 121 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [1,0,0,0,0,0|2,0,0]=3 122 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [1,0,0,0,0,0|2,0,0]=3 123 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [1,0,0,0,0,0|2,0,0]=3 124 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,0,0,0,0,0|3,0,0]=4 125 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,0,0,0,0,0|3,0,0]=4 126 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,0,0,0,0,0|3,0,0]=4 127 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,0,0,0,0,0|2,0,0]=3 128 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,0,0|2,0,1]=4 129 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [1,0,0,0,0,0|2,0,1]=4 130 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,0,0,0,0,0|1,0,0]=2 131 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [1,0,0,0,0,0|2,0,0]=3 132 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,0,0,0,0,0|2,0,0]=3 133 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,0,0,0,0,0|2,0,0]=3 134 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [1,0,0,0,0,0|1,0,0]=2 135 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [1,0,0,0,0,0|1,0,0]=2 136 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [1,0,0,0,0,0|1,0,0]=2 137 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,0,0,0,0,0|1,0,0]=2 138 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,0,0,0,0,0|2,0,1]=4 139 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,0,0,0,0,0|2,0,1]=4 140 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,0,0,0,0,0|2,0,1]=4 141 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,0,0,0,0,0|2,0,1]=4 142 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,0,0,0,0,0|1,0,1]=3 143 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,0,0,0,0,0|1,0,1]=3 144 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,0,0,0,0,0|1,0,1]=3 145 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [1,0,0,0,0,0|2,0,1]=4 146 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [1,0,0,0,0,0|2,0,1]=4 147 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [1,0,0,0,0,0|2,0,1]=4 148 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [1,0,0,0,0,0|2,0,1]=4 149 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [1,0,0,0,0,0|2,0,0]=3 150 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,0,0,0,0,0|2,0,0]=3 151 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,0,0,0,0,0|2,0,0]=3 152 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,0,0,0,0,0|2,0,1]=4 153 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,0,0,0,0|1,0,1]=3 156 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,0,0,0,0,0|1,0,2]=4 157 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,0,0,0,0,0|2,0,0]=3 158 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [1,0,0,0,0,0|2,0,1]=4 159 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [1,0,0,0,0,0|2,0,0]=3 160 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100015343762 [0,1,0,0,0,0|1,0,1]=3 161 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100015343762 [0,1,0,0,0,0|1,0,1]=3 162 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100015343762 [0,1,0,0,0,0|1,0,1]=3 163 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100103153847 [0,1,0,0,0,0|1,0,1]=3 164 B9R0.10 CC(=O)N[C@@H](C)C(F)(F)F 11a_100000732647_100015343762 [0,1,0,0,0,0|2,0,1]=4 165 B9R0.10 CC(=O)N[C@@H](C)C(F)(F)F 1626a_100000732647_100015343762 [0,1,0,0,0,0|2,0,1]=4 166 B9R0.10 CC(=O)N[C@@H](C)C(F)(F)F 240690a_100000732647_100015343762 [0,1,0,0,0,0|2,0,1]=4 167 B9R0.10 CC(=O)N[C@@H](C)C(F)(F)F 527a_100000732647_100103153847 [0,1,0,0,0,0|2,0,1]=4 168 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 11a_100025703359_100015343762 [0,1,0,0,0,0|2,0,1]=4 169 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 1626a_100025703359_100015343762 [0,1,0,0,0,0|2,0,1]=4 170 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 240690a_100025703359_100015343762 [0,1,0,0,0,0|2,0,1]=4 171 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 527a_100025703359_100103153847 [0,1,0,0,0,0|2,0,1]=4 172 B9R0.11 CC(=O)NC(C)(C)C(=O)C 1458a_100000750020_200000210301 [0,1,0,0,0,0|1,0,0]=2 173 B9R0.11 CC(=O)NC(C)(C)C(=O)N 11a_100000743658_100015343762 [0,1,0,0,0,0|1,0,0]=2 174 B9R0.11 CC(=O)NC(C)(C)C(=O)N 240690a_100000743658_100015343762 [0,1,0,0,0,0|1,0,0]=2 175 B9R0.11 CC(=O)NC(C)(C)C(=O)N 527a_100000743658_100103153847 [0,1,0,0,0,0|1,0,0]=2 176 B9R0.11 CC(=O)NC(C)(C)C(=O)[13CH3] 1458a_100000750020_200025704644 [0,1,0,0,0,0|1,0,0]=2 177 B9R0.11 CC(=O)NC(C)(C)C(C)C 11a_200160471154_100015343762 [0,1,0,0,0,0|2,0,1]=4 178 B9R0.11 CC(=O)NC(C)(C)C(C)C 1626a_200160471154_100015343762 [0,1,0,0,0,0|2,0,1]=4 179 B9R0.11 CC(=O)NC(C)(C)C(C)C 240690a_200160471154_100015343762 [0,1,0,0,0,0|2,0,1]=4 180 B9R0.11 CC(=O)NC(C)(C)C(C)C 527a_200160471154_100103153847 [0,1,0,0,0,0|2,0,1]=4 181 B9R0.11 CC(=O)OC(C)(C)C(=O)C 1458a_200000137501_200000210301 [0,1,0,0,0,0|2,0,0]=3 182 B9R0.11 CC(=O)OC(C)(C)C(=O)[13CH3] 1458a_200000137501_200025704644 [0,1,0,0,0,0|2,0,0]=3 183 B9R0.11 CC(C)NC(C)(C)C(=O)N 2230a_100000743658_100000210206 [0,1,0,0,0,0|2,0,1]=4 184 B9R0.11 CC(C)NC(C)(C)C(=O)N 2230a_100138425928_100000702505 [0,1,0,0,0,0|2,0,1]=4 185 B9R0.11 CC(C)NC(C)(C)C(=O)N 34a_100000743658_100000210206 [0,1,0,0,0,0|2,0,1]=4 186 B9R0.11 CC(C)NC(C)(C)C(=O)N 34a_100138425928_100000702505 [0,1,0,0,0,0|2,0,1]=4 187 B9R0.23 C#CC(=O)C(C)OC(=O)C 1458a_100000211873_100009818208 [0,1,0,0,0,0|2,0,0]=3 188 B9R0.23 C=C(C)CN(C)C(=O)CO 527a_100000225649_100000210174 [0,1,0,0,0,0|3,0,0]=4 189 B9R0.23 C=C(NC(=O)C)C(=O)NC 240690a_100102657272_100000758921 [0,1,0,0,0,0|1,0,2]=4 190 B9R0.23 C=CC(=O)C(C)OC(=O)C 1458a_100000185746_100009818208 [0,1,0,0,0,0|2,0,0]=3 191 B9R0.23 CC(=O)N[C@H](C)C(=O)CF 1458a_100011504603_100015361967 [0,1,0,0,0,0|1,0,0]=2 192 B9R0.23 CC(=O)OC(C)C(=O)CO 1458a_100000210174_100009818208 [0,1,0,0,0,0|1,0,0]=2 193 B9R0.23 CC(=O)O[C@@H](C)C(=O)CF 1458a_100009816467_100015361967 [0,1,0,0,0,0|2,0,0]=3 194 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,1,0,0,0,0|2,0,1]=4 195 B9R0.23 CCC(=O)C(C)NC(C)C 2230a_100138425928_100000742827 [0,1,0,0,0,0|2,0,1]=4 196 B9R0.23 CCC(=O)C(C)OC(=O)C 1458a_100000210414_100009818208 [0,1,0,0,0,0|2,0,0]=3 197 B9R0.23 CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210202 [0,1,0,0,0,0|1,0,0]=2 198 B9R0.23 CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210202 [0,1,0,0,0,0|2,0,0]=3 199 B9R0.23 CN(CC(=O)N)C(=O)CO 527a_100000739694_100000210174 [0,1,0,0,0,0|3,0,0]=4 200 B9R0.23 CNC(=O)C(C)NC(C)C 2230a_100138425928_100000731044 [0,1,0,0,0,0|2,0,1]=4 201 B9R0.23 CNC(=O)C(C)NC(C)C 34a_100138425928_100000731044 [0,1,0,0,0,0|2,0,1]=4 202 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_100000684985_100015343762 [0,1,0,0,0,0|1,0,0]=2 203 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_106832991635_100011504603 [0,1,0,0,0,0|1,0,0]=2 204 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 1626a_100102657272_100011504603 [0,1,0,0,0,0|1,0,0]=2 205 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100000684985_100015343762 [0,1,0,0,0,0|1,0,0]=2 206 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100102657272_100011504603 [0,1,0,0,0,0|1,0,0]=2 207 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100000684985_100103153847 [0,1,0,0,0,0|1,0,0]=2 208 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100102657272_100011504603 [0,1,0,0,0,0|1,0,0]=2 209 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 2230a_100000684985_100000210206 [0,1,0,0,0,0|2,0,1]=4 210 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 34a_100000684985_100000210206 [0,1,0,0,0,0|2,0,1]=4 211 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 11a_106832991635_100009816467 [0,1,0,0,0,0|2,0,0]=3 212 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 1626a_100102657272_100009816467 [0,1,0,0,0,0|2,0,0]=3 213 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 240690a_100102657272_100009816467 [0,1,0,0,0,0|2,0,0]=3 214 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 527a_100102657272_100009816467 [0,1,0,0,0,0|2,0,0]=3 215 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [0,1,0,0,0,0|3,0,0]=4 216 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,1,0,0,0,0|1,0,1]=3 217 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,1,0,0,0,0|1,0,1]=3 218 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,1,0,0,0,0|2,0,1]=4 219 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,1,0,0,0,0|2,0,1]=4 220 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,1,0,0,0,0|2,0,1]=4 221 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,1,0,0,0,0|2,0,1]=4 222 B9R0.23 COC(=O)[C@@H](C)NC(=O)C 188690a_100000687819_100015343762 [0,1,0,0,0,0|0,0,0]=1 223 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [0,1,0,0,0,0|1,0,2]=4 224 B9R0.39 CC(=O)NC(C#N)C(=O)N 1626a_100000039599_100015343762 [0,1,0,0,0,0|1,0,1]=3 225 B9R0.39 CC(=O)NC(CO)C(=O)C 1458a_200011194110_200000210301 [0,1,0,0,0,0|1,0,0]=2 226 B9R0.39 CC(=O)NC(CO)C(=O)[13CH3] 1458a_200011194110_200025704644 [0,1,0,0,0,0|1,0,0]=2 227 B9R0.39 CC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100015343762 [0,1,0,0,0,0|1,0,0]=2 228 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 240690a_100011830312_100015343762 [0,1,0,0,0,0|2,0,1]=4 229 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 527a_100011830312_100103153847 [0,1,0,0,0,0|2,0,1]=4 230 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100015343762 [0,1,0,0,0,0|1,0,1]=3 231 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O 527a_100015196842_100103153847 [0,1,0,0,0,0|1,0,1]=3 232 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,1,0,0,0,0|1,0,1]=3 233 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100000210206 [0,1,0,0,0,0|2,0,1]=4 234 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 34a_100000729942_100000210206 [0,1,0,0,0,0|2,0,1]=4 235 B9R0.39 CCC(NC(=O)C)C(=O)C 1458a_100000195128_200000210301 [0,1,0,0,0,0|1,0,0]=2 236 B9R0.39 CCC(NC(=O)C)C(=O)N 11a_100000733705_100015343762 [0,1,0,0,0,0|1,0,0]=2 237 B9R0.39 CCC(NC(=O)C)C(=O)N 1626a_100000733705_100015343762 [0,1,0,0,0,0|1,0,0]=2 238 B9R0.39 CCC(NC(=O)C)C(=O)N 240690a_100000733705_100015343762 [0,1,0,0,0,0|1,0,0]=2 239 B9R0.39 CCC(NC(=O)C)C(=O)N 527a_100000733705_100103153847 [0,1,0,0,0,0|1,0,0]=2 240 B9R0.39 CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000195128_200025704644 [0,1,0,0,0,0|1,0,0]=2 241 B9R0.39 CCC(NC(=O)C)C(C)C 11a_100000745074_100015343762 [0,1,0,0,0,0|2,0,1]=4 242 B9R0.39 CCC(NC(=O)C)C(C)C 1626a_100000745074_100015343762 [0,1,0,0,0,0|2,0,1]=4 243 B9R0.39 CCC(NC(=O)C)C(C)C 240690a_100000745074_100015343762 [0,1,0,0,0,0|2,0,1]=4 244 B9R0.39 CCC(NC(=O)C)C(C)C 527a_100000745074_100103153847 [0,1,0,0,0,0|2,0,1]=4 245 B9R0.39 CCC(NC(=O)N)C(=O)C 1458a_100000203762_200000210301 [0,1,0,0,0,0|2,0,0]=3 246 B9R0.39 CCC(NC(=O)N)C(=O)[13CH3] 1458a_100000203762_200025704644 [0,1,0,0,0,0|2,0,0]=3 247 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100000733705_100000210206 [0,1,0,0,0,0|2,0,1]=4 248 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100138425928_100000750255 [0,1,0,0,0,0|2,0,1]=4 249 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100000733705_100000210206 [0,1,0,0,0,0|2,0,1]=4 250 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100138425928_100000750255 [0,1,0,0,0,0|2,0,1]=4 251 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,1,0,0,0,0|1,0,1]=3 252 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 11a_100161114882_100015343762 [0,1,0,0,0,0|1,0,1]=3 253 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 1626a_100161114882_100015343762 [0,1,0,0,0,0|1,0,1]=3 254 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 240690a_100161114882_100015343762 [0,1,0,0,0,0|1,0,1]=3 255 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 527a_100161114882_100103153847 [0,1,0,0,0,0|1,0,1]=3 256 B9R0.39 CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200000210301 [0,1,0,0,0,0|3,0,0]=4 257 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,1,0,0,0,0|2,0,0]=3 258 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,1,0,0,0,0|2,0,0]=3 259 B9R0.39 [13CH3]N[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200025704644 [0,1,0,0,0,0|3,0,0]=4 260 B9R0.42 C#CC(C)NC(C)C(=O)C 2230a_100000707721_100009814033 [0,1,0,0,0,0|2,0,1]=4 261 B9R0.42 C#CC(C)NC(C)C(=O)N 2230a_100000707721_100000702099 [0,1,0,0,0,0|2,0,1]=4 262 B9R0.42 C#CC(C)NC(C)C(=O)N 34a_100000707721_100000702099 [0,1,0,0,0,0|2,0,1]=4 263 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200000035995 [0,1,0,0,0,0|1,0,1]=3 264 B9R0.42 C#CC(C)N[C@H](C)C(=O)N 34a_100000119354_200000035995 [0,1,0,0,0,0|2,0,1]=4 265 B9R0.42 C=CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_200121576911 [0,1,0,0,0,0|1,0,1]=3 266 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [0,1,0,0,0,0|1,0,1]=3 267 B9R0.42 CC(=O)C(C)NC(C)C#N 2230a_100000737613_100009814033 [0,1,0,0,0,0|2,0,1]=4 268 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,1,0,0,0,0|1,0,2]=4 269 B9R0.42 CC(=O)N(C)CC(=O)CF 1458a_100000194957_100015361967 [0,1,0,0,0,0|3,0,0]=4 270 B9R0.42 CC(C#N)NC(C)C(=O)N 2230a_100000737613_100000702099 [0,1,0,0,0,0|2,0,1]=4 271 B9R0.42 CC(C#N)N[C@@H](C)C(=O)O 269956a_100000743915_100000184139 [0,1,0,0,0,0|1,0,1]=3 272 B9R0.42 CC(C#N)N[C@H](C)C(=O)N 2230a_100000119354_100000184139 [0,1,0,0,0,0|2,0,1]=4 273 B9R0.42 CC(C)C(C)NC(=O)CO 240690a_100000211541_100000210174 [0,1,0,0,0,0|2,0,1]=4 274 B9R0.42 CC(C)C(C)NC(=O)CO 527a_100000211541_100000210174 [0,1,0,0,0,0|2,0,1]=4 275 B9R0.42 CC(CO)N[C@H](C)C(=O)N 2230a_100000119354_100012180447 [0,1,0,0,0,0|1,0,2]=4 276 B9R0.42 CC(CO)N[C@H](C)C(=O)N 34a_100000119354_100012180447 [0,1,0,0,0,0|1,0,2]=4 277 B9R0.42 CC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000702099 [0,1,0,0,0,0|1,0,2]=4 278 B9R0.42 CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210202 [0,1,0,0,0,0|3,0,0]=4 279 B9R0.42 CCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210202 [0,1,0,0,0,0|3,0,0]=4 280 B9R0.42 CCC(=O)NC(C)C(=O)C 1458a_100000194823_200000210301 [0,1,0,0,0,0|1,0,0]=2 281 B9R0.42 CCC(=O)NC(C)C(=O)[13CH3] 1458a_100000194823_200025704644 [0,1,0,0,0,0|1,0,0]=2 282 B9R0.42 CCC(=O)NC(C)C(C)C 11a_100000211541_100000210414 [0,1,0,0,0,0|2,0,1]=4 283 B9R0.42 CCC(=O)NC(C)C(C)C 1626a_100000211541_100000210414 [0,1,0,0,0,0|2,0,1]=4 284 B9R0.42 CCC(=O)NC(C)C(C)C 240690a_100000211541_100000210414 [0,1,0,0,0,0|2,0,1]=4 285 B9R0.42 CCC(=O)NC(C)C(C)C 527a_100000211541_100000210414 [0,1,0,0,0,0|2,0,1]=4 286 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210414 [0,1,0,0,0,0|1,0,0]=2 287 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210414 [0,1,0,0,0,0|1,0,0]=2 288 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210414 [0,1,0,0,0,0|1,0,0]=2 289 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,1,0,0,0,0|2,0,1]=4 290 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,1,0,0,0,0|2,0,1]=4 291 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,0,0,0,0|1,0,1]=3 292 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,1,0,0,0,0|2,0,1]=4 293 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,1,0,0,0,0|2,0,1]=4 294 B9R0.42 CN(CC(=O)CF)C(=O)N 1458a_100000218718_100015361967 [0,1,0,0,0,0|3,0,0]=4 295 B9R0.42 CNC(=O)CN(C)C(=O)C 11a_100000189611_100015343762 [0,1,0,0,0,0|3,0,0]=4 296 B9R0.42 CNC(=O)CN(C)C(=O)C 11a_106832991635_100000194957 [0,1,0,0,0,0|3,0,0]=4 297 B9R0.42 CNC(=O)CN(C)C(=O)C 1626a_100102657272_100000194957 [0,1,0,0,0,0|3,0,0]=4 298 B9R0.42 CNC(=O)CN(C)C(=O)C 240690a_100000189611_100015343762 [0,1,0,0,0,0|3,0,0]=4 299 B9R0.42 CNC(=O)CN(C)C(=O)C 240690a_100102657272_100000194957 [0,1,0,0,0,0|3,0,0]=4 300 B9R0.42 CNC(=O)CN(C)C(=O)C 527a_100000189611_100103153847 [0,1,0,0,0,0|3,0,0]=4 301 B9R0.42 CNC(=O)CN(C)C(=O)C 527a_100102657272_100000194957 [0,1,0,0,0,0|3,0,0]=4 302 B9R0.42 CNC(=O)CN(C)C(=O)N 240690a_100102657272_100000218718 [0,1,0,0,0,0|3,0,0]=4 303 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100000211541_106832991635 [0,1,0,0,0,0|2,0,1]=4 304 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100102657272_100000211541 [0,1,0,0,0,0|2,0,1]=4 305 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100000211541_100102657272 [0,1,0,0,0,0|2,0,1]=4 306 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100102657272_100000211541 [0,1,0,0,0,0|2,0,1]=4 307 B9R0.42 CNC(=O)NC(C)C(C)C 512a_100000211541_100102657272 [0,1,0,0,0,0|2,0,1]=4 308 B9R0.42 CNC(=O)NC(C)C(C)C 512a_106832991638_100000211541 [0,1,0,0,0,0|2,0,1]=4 309 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100102657272 [0,1,0,0,0,0|1,0,0]=2 310 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 273464a_100102657272_100000119354 [0,1,0,0,0,0|1,0,0]=2 311 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100102657272 [0,1,0,0,0,0|1,0,0]=2 312 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 512a_106832991638_100000119354 [0,1,0,0,0,0|1,0,0]=2 313 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,1,0,0,0,0|2,0,0]=3 314 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,1,0,0,0,0|2,0,0]=3 315 B9R0.42 COC(=O)CN(C)C(=O)C 11a_100000198492_100015343762 [0,1,0,0,0,0|3,0,0]=4 316 B9R0.42 COC(=O)CN(C)C(=O)C 1626a_100000198492_100015343762 [0,1,0,0,0,0|3,0,0]=4 317 B9R0.42 COC(=O)CN(C)C(=O)C 240690a_100000198492_100015343762 [0,1,0,0,0,0|3,0,0]=4 318 B9R0.42 COC(=O)CN(C)C(=O)C 527a_100000198492_100103153847 [0,1,0,0,0,0|3,0,0]=4 319 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,1,0,0,0,0|0,0,2]=3 320 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 240690a_100000119354_100000210174 [0,1,0,0,0,0|1,0,0]=2 321 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 527a_100000119354_100000210174 [0,1,0,0,0,0|1,0,0]=2 322 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,1,0,0,0,0|0,0,2]=3 323 B9R0.57 CC(=O)C(C)NC(C)(C)C 2230a_100000715429_100009814033 [0,1,0,0,0,0|2,0,1]=4 324 B9R0.57 CC(=O)[C@H](C)OS(=O)(=O)C 1458a_200015292407_200000210301 [0,1,0,0,0,0|3,0,0]=4 325 B9R0.57 CC(NC(C)(C)C)C(=O)N 2230a_100000715429_100000702099 [0,1,0,0,0,0|2,0,1]=4 326 B9R0.57 C[C@@H](NC(C)(C)C)C(=O)N 34a_100000119354_100000210625 [0,1,0,0,0,0|2,0,1]=4 327 B9R0.57 C[C@@H](NS(=O)(=O)C)C(=O)N 40a_100000119354_100000738038 [0,1,0,0,0,0|2,0,0]=3 328 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,1,0,0,0,0|1,0,1]=3 329 B9R0.57 C[C@H](NC(F)(F)F)C(=O)O 269956a_100000743915_200000243211 [0,1,0,0,0,0|2,0,1]=4 330 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)[13CH3] 1458a_200015292407_200025704644 [0,1,0,0,0,0|3,0,0]=4 331 B9R0.79 C=C(C)C(=O)C(C)C(=O)C 1458a_100000185857_100000179758 [0,1,0,0,0,0|3,0,0]=4 332 B9R0.79 C=C(C)C(=O)C(C)C(=O)N 1458a_100000185857_100000702099 [0,1,0,0,0,0|3,0,0]=4 333 B9R0.79 CC(=O)C(C)N(C)C(C)C 269982a_200000211004_100009814033 [0,1,0,0,0,0|2,0,1]=4 334 B9R0.79 CC(=O)N(C)C(C)C(C)C 11a_100000228512_100015343762 [0,1,0,0,0,0|2,0,1]=4 335 B9R0.79 CC(=O)N(C)C(C)C(C)C 1626a_100000228512_100015343762 [0,1,0,0,0,0|2,0,1]=4 336 B9R0.79 CC(=O)N(C)C(C)C(C)C 240690a_100000228512_100015343762 [0,1,0,0,0,0|2,0,1]=4 337 B9R0.79 CC(=O)N(C)C(C)C(C)C 527a_100000228512_100103153847 [0,1,0,0,0,0|2,0,1]=4 338 B9R0.79 CC(C)N(C)C(C)C(=O)N 269982a_200000211004_100000184083 [0,1,0,0,0,0|2,0,1]=4 339 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,1,0,0,0,0|1,0,1]=3 340 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,0,0,1,0,0|1,0,0]=2 341 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,0,0,1,0,0|3,0,0]=4 342 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [0,0,0,1,0,0|2,0,0]=3 343 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,0,0,1,0,0|2,0,0]=3 344 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [0,0,0,1,0,0|2,0,0]=3 345 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,0,0,1,0,0|1,0,0]=2 346 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,0,0,1,0,0|3,0,0]=4 347 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [0,0,0,1,0,0|2,0,0]=3 348 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,0,0,1,0,0|2,0,0]=3 349 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [0,0,0,1,0,0|2,0,0]=3 350 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100015343762 [0,0,0,1,0,0|1,0,1]=3 351 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100015343762 [0,0,0,1,0,0|1,0,1]=3 352 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100103153847 [0,0,0,1,0,0|1,0,1]=3 353 B9R1.67 CC(C)NC1CCC1=O 34a_100138425928_100009892977 [0,0,0,1,0,0|2,0,1]=4 354 B9R1.112 CC(NC1CC1)C(=O)N 34a_100000212008_100000702099 [0,0,0,1,0,0|2,0,1]=4 355 B9R1.112 C[C@@H](NC1CC1)C(=O)N 34a_100000119354_100000211595 [0,0,0,1,0,0|2,0,1]=4 356 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,0,0,1,0,0|1,0,1]=3 357 B9R1.137 CC(=O)NC(C)C1CC1 11a_100000700016_100015343762 [0,0,0,1,0,0|2,0,1]=4 358 B9R1.137 CC(=O)NC(C)C1CC1 1626a_100000700016_100015343762 [0,0,0,1,0,0|2,0,1]=4 359 B9R1.137 CC(=O)NC(C)C1CC1 240690a_100000700016_100015343762 [0,0,0,1,0,0|2,0,1]=4 360 B9R1.137 CC(=O)NC(C)C1CC1 527a_100000700016_100103153847 [0,0,0,1,0,0|2,0,1]=4 361 B9R1.170 CC(=O)NC1CC1(F)F 1626a_100020610826_100015343762 [0,0,0,1,0,0|2,0,1]=4 362 B9R1.170 CC(=O)NC1CC1(F)F 240690a_100020610826_100015343762 [0,0,0,1,0,0|2,0,1]=4 363 B9R1.170 CC(=O)NC1CC1(F)F 527a_100020610826_100103153847 [0,0,0,1,0,0|2,0,1]=4 364 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,0,0,0,1,0|1,0,0]=2 365 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,0,0,0,1,0|1,0,0]=2 366 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,0,0,0,1,0|2,0,1]=4 367 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,0,0,0,1,0|3,0,0]=4 368 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,0,0,0,1,0|3,0,0]=4 369 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,0,0,0,1,0|2,0,0]=3 370 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,0,0,0,1,0|1,0,1]=3 371 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,0,0,0,1,0|3,0,0]=4 372 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,0,0,0,1,0|3,0,0]=4 373 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,0,0,0,1,0|3,0,0]=4 374 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,0,0,0,1,0|2,0,0]=3 375 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,0,0,0,1,0|2,0,0]=3 376 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,0,0,0,1,0|2,0,1]=4 377 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,0,0,0,1,0|3,0,0]=4 378 B9R0.7 C=C(C)C(=NNC(=O)C)C 4a_100000189765_100011216138 [0,0,0,0,0,1|2,0,1]=4 379 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,0,0,0,0,1|1,0,0]=2 380 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748629 [0,0,0,0,0,1|2,0,0]=3 381 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748629 [0,0,0,0,0,1|2,0,0]=3 382 B9R0.7 C=C(C)COC(C)C(=O)C 34a_100000212229_100000748629 [0,0,0,0,0,1|3,0,0]=4 383 B9R0.7 C=C(C)COC(C)C(=O)N 34a_100000210245_100000702099 [0,0,0,0,0,1|3,0,0]=4 384 B9R0.7 C=C(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748629 [0,0,0,0,0,1|2,0,1]=4 385 B9R0.7 C=C(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748629 [0,0,0,0,0,1|3,0,0]=4 386 B9R0.7 C=C(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748629 [0,0,0,0,0,1|3,0,0]=4 387 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100000748629_100009814033 [0,0,0,0,0,1|3,0,0]=4 388 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100009814033_100000211660 [0,0,0,0,0,1|3,0,0]=4 389 B9R0.7 C=C(C)CSC(C)C(=O)N 62a_100000702099_100000211660 [0,0,0,0,0,1|3,0,0]=4 390 B9R0.7 C=C(C)CSC(C)C(=O)N 62a_100000748629_100000702099 [0,0,0,0,0,1|3,0,0]=4 391 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 269956a_100000743915_100000042424 [0,0,0,0,0,1|1,0,1]=3 392 B9R0.7 C=C(F)CN[C@H](C)C(=O)N 2230a_100000119354_100009893438 [0,0,0,0,0,1|2,0,1]=4 393 B9R0.7 C=C(F)CN[C@H](C)C(=O)N 34a_100000119354_100009893438 [0,0,0,0,0,1|2,0,1]=4 394 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [0,0,0,0,0,1|2,0,0]=3 395 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,0,0,0,0,1|2,0,0]=3 396 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,0,0,0,0,1|2,0,1]=4 397 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,0,0,0,0,1|1,0,2]=4 398 B9R0.7 CC(=O)C(C)OCC(=O)N 34a_100000212229_100000187820 [0,0,0,0,0,1|3,0,0]=4 399 B9R0.7 CC(=O)C(C)OCC(=O)[O-] 34a_100000212229_100020667443 [0,0,0,0,0,1|3,0,0]=4 400 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100000747473_100009814033 [0,0,0,0,0,1|3,0,0]=4 401 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100009814033_100000747473 [0,0,0,0,0,1|3,0,0]=4 402 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100009814033_100020667443 [0,0,0,0,0,1|3,0,0]=4 403 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100009814033 [0,0,0,0,0,1|3,0,0]=4 404 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,0,0,0,0,1|3,0,0]=4 405 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [0,0,0,0,0,1|2,0,0]=3 406 B9R0.7 CC(=O)COC(F)C(=O)N 34a_100000211253_100009813875 [0,0,0,0,0,1|3,0,0]=4 407 B9R0.7 CC(=O)COC(F)C(=O)[O-] 34a_100000211253_100020610796 [0,0,0,0,0,1|2,0,1]=4 408 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,0,0,0,0,1|3,0,0]=4 409 B9R0.7 CC(=O)NN=C(C)C(C)O 4a_100000189765_100000212229 [0,0,0,0,0,1|1,0,2]=4 410 B9R0.7 CC(=O)NNC(=O)C(=O)N 22a_100000189765_100011215815 [0,0,0,0,0,1|2,0,1]=4 411 B9R0.7 CC(=O)NNC(=O)C(=O)N 22a_100000211141_100000070787 [0,0,0,0,0,1|2,0,1]=4 412 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,0,0,0,0,1|2,0,0]=3 413 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,0,0,0,0,1|2,0,0]=3 414 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,0,0,0,0,1|2,0,1]=4 415 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,0,0,0,0,1|2,0,1]=4 416 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,0,0,0,0,1|1,0,1]=3 417 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,0,0,0,0,1|2,0,1]=4 418 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,0,0,0,0,1|2,0,1]=4 419 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,0,0,0,0,1|2,0,1]=4 420 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,0,0,0,0,1|1,0,1]=3 421 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,0,0,0,0,1|2,0,1]=4 422 B9R0.7 CC(NCC(=O)N)C(=O)N 2230a_100000711301_100000702099 [0,0,0,0,0,1|2,0,0]=3 423 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [0,0,0,0,0,1|1,0,2]=4 424 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [0,0,0,0,0,1|1,0,2]=4 425 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,0,0,0,0,1|0,0,2]=3 426 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [0,0,0,0,0,1|1,0,2]=4 427 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [0,0,0,0,0,1|1,0,2]=4 428 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000702099_100000747473 [0,0,0,0,0,1|3,0,0]=4 429 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000747473_100000702099 [0,0,0,0,0,1|3,0,0]=4 430 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100000702099_100020667443 [0,0,0,0,0,1|3,0,0]=4 431 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100020667443_100000702099 [0,0,0,0,0,1|3,0,0]=4 432 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 2230a_100000119354_100000747473 [0,0,0,0,0,1|2,0,0]=3 433 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 34a_100000119354_100000187820 [0,0,0,0,0,1|2,0,0]=3 434 B9R0.7 C[C@@H](NCC(=O)[O-])C(=O)N 34a_100000119354_100020667443 [0,0,0,0,0,1|2,0,0]=3 435 B9R0.7 C[C@@H](NC[N+](=O)[O-])C(=O)N 34a_100000119354_100000761209 [0,0,0,0,0,1|3,0,0]=4 436 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [0,0,0,0,0,1|1,0,2]=4 437 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [0,0,0,0,0,1|1,0,2]=4 438 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 34a_100000731257_100000187820 [0,0,0,0,0,1|3,0,0]=4 439 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 7a_100000731257_100000187820 [0,0,0,0,0,1|3,0,0]=4 440 B9R0.7 C[C@@H](OCC(=O)[O-])C(=O)N 34a_100000731257_100020667443 [0,0,0,0,0,1|3,0,0]=4 441 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,0,0,0,0,1|1,0,0]=2 442 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,0,0,0,0,1|1,0,0]=2 443 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [0,0,0,0,0,1|2,0,1]=4 444 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,0,0,0,0,1|0,0,2]=3 445 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000743915_100000761209 [0,0,0,0,0,1|2,0,0]=3 446 B9R0.7 C[C@H](OCC(=O)N)C(=O)[O-] 7a_217856618621_100000187820 [0,0,0,0,0,1|2,0,1]=4 447 B9R0.7 NC(=O)CNC(F)C(=O)N 2230a_100000711301_100009813875 [0,0,0,0,0,1|3,0,0]=4 448 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [0,0,0,0,0,1|3,0,0]=4 449 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,0,0,0,0,1|2,0,1]=4 450 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,0,0,0,0,1|2,0,1]=4 451 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,0,0,0,0,1|2,0,1]=4 452 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,0,0,0,0,1|2,0,1]=4 453 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,0,0,0,0,1|2,0,1]=4 454 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [0,0,0,0,0,1|3,0,0]=4 455 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [0,0,0,0,0,1|3,0,0]=4 456 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [0,0,0,0,0,1|3,0,0]=4 457 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [0,0,0,0,0,1|3,0,0]=4 458 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [0,0,0,0,0,1|3,0,0]=4 459 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [2,0,0,0,0,0|0,0,2]=4 460 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [2,0,0,0,0,0|0,0,2]=4 461 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [2,0,0,0,0,0|1,0,1]=4 462 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [2,0,0,0,0,0|1,0,1]=4 463 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [2,0,0,0,0,0|1,0,1]=4 464 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [2,0,0,0,0,0|1,0,0]=3 465 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [2,0,0,0,0,0|1,0,0]=3 466 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [2,0,0,0,0,0|0,0,1]=3 467 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [2,0,0,0,0,0|0,0,1]=3 468 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [2,0,0,0,0,0|0,0,1]=3 469 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [2,0,0,0,0,0|0,0,1]=3 470 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [2,0,0,0,0,0|1,0,1]=4 471 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [2,0,0,0,0,0|1,0,0]=3 472 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [2,0,0,0,0,0|1,0,1]=4 473 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [2,0,0,0,0,0|1,0,1]=4 474 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [2,0,0,0,0,0|1,0,1]=4 475 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [2,0,0,0,0,0|1,0,1]=4 476 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|2,0,0]=4 477 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|2,0,0]=4 478 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|2,0,0]=4 479 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|2,0,0]=4 480 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [2,0,0,0,0,0|1,0,0]=3 481 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [2,0,0,0,0,0|1,0,0]=3 482 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [2,0,0,0,0,0|1,0,0]=3 483 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,1]=4 484 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [2,0,0,0,0,0|1,0,1]=4 485 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [2,0,0,0,0,0|1,0,1]=4 486 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [2,0,0,0,0,0|1,0,1]=4 487 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [2,0,0,0,0,0|1,0,1]=4 488 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [2,0,0,0,0,0|1,0,1]=4 489 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [2,0,0,0,0,0|1,0,1]=4 490 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|0,0,1]=3 491 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|0,0,1]=3 492 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [2,0,0,0,0,0|1,0,1]=4 493 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [2,0,0,0,0,0|1,0,1]=4 494 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|2,0,0]=4 495 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|2,0,0]=4 496 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|2,0,0]=4 497 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [2,0,0,0,0,0|2,0,0]=4 498 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 499 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 500 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 501 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,1]=4 502 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|1,0,1]=4 503 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|1,0,1]=4 504 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|0,0,1]=3 505 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 506 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|1,0,1]=4 507 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 508 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [2,0,0,0,0,0|1,0,1]=4 509 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [2,0,0,0,0,0|1,0,1]=4 510 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [2,0,0,0,0,0|2,0,0]=4 511 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [2,0,0,0,0,0|1,0,1]=4 512 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [2,0,0,0,0,0|1,0,1]=4 513 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [2,0,0,0,0,0|2,0,0]=4 514 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [2,0,0,0,0,0|2,0,0]=4 515 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [2,0,0,0,0,0|2,0,0]=4 516 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [2,0,0,0,0,0|2,0,0]=4 517 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [2,0,0,0,0,0|2,0,0]=4 518 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [2,0,0,0,0,0|1,0,1]=4 519 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [2,0,0,0,0,0|1,0,1]=4 520 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [2,0,0,0,0,0|1,0,1]=4 521 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [2,0,0,0,0,0|1,0,0]=3 522 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [2,0,0,0,0,0|1,0,0]=3 523 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [2,0,0,0,0,0|1,0,0]=3 524 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [2,0,0,0,0,0|1,0,0]=3 525 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [2,0,0,0,0,0|1,0,0]=3 526 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [2,0,0,0,0,0|2,0,0]=4 527 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [2,0,0,0,0,0|2,0,0]=4 528 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [2,0,0,0,0,0|2,0,0]=4 529 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [2,0,0,0,0,0|1,0,1]=4 530 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [2,0,0,0,0,0|0,0,0]=2 531 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [2,0,0,0,0,0|1,0,0]=3 532 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [2,0,0,0,0,0|1,0,0]=3 533 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [2,0,0,0,0,0|2,0,0]=4 534 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [2,0,0,0,0,0|2,0,0]=4 535 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [2,0,0,0,0,0|2,0,0]=4 536 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [2,0,0,0,0,0|2,0,0]=4 537 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [2,0,0,0,0,0|1,0,1]=4 538 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [2,0,0,0,0,0|2,0,0]=4 539 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [2,0,0,0,0,0|2,0,0]=4 540 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [2,0,0,0,0,0|2,0,0]=4 541 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [2,0,0,0,0,0|2,0,0]=4 542 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [2,0,0,0,0,0|2,0,0]=4 543 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [2,0,0,0,0,0|2,0,0]=4 544 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [2,0,0,0,0,0|2,0,0]=4 545 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [2,0,0,0,0,0|2,0,0]=4 546 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [2,0,0,0,0,0|1,0,0]=3 547 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [2,0,0,0,0,0|1,0,0]=3 548 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [2,0,0,0,0,0|2,0,0]=4 549 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [2,0,0,0,0,0|2,0,0]=4 550 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [2,0,0,0,0,0|0,0,0]=2 551 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [2,0,0,0,0,0|1,0,1]=4 552 B8R0.2 CC(=O)N(C)C(C)C#N 11a_100000745055_100015343762 [1,1,0,0,0,0|1,0,1]=4 553 B8R0.2 CC(=O)N(C)C(C)C#N 1626a_100000745055_100015343762 [1,1,0,0,0,0|1,0,1]=4 554 B8R0.2 CC(=O)N(C)C(C)C#N 527a_100000745055_100103153847 [1,1,0,0,0,0|1,0,1]=4 555 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [1,1,0,0,0,0|0,0,1]=3 556 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [1,1,0,0,0,0|0,0,1]=3 557 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [1,1,0,0,0,0|1,0,1]=4 558 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [1,1,0,0,0,0|1,0,1]=4 559 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [1,1,0,0,0,0|1,0,1]=4 560 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [1,1,0,0,0,0|1,0,1]=4 561 B8R0.5 CC(=O)N[C@@H](C)CC#N 11a_100016994482_100015343762 [1,1,0,0,0,0|1,0,1]=4 562 B8R0.5 CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100015343762 [1,1,0,0,0,0|1,0,1]=4 563 B8R0.5 CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100015343762 [1,1,0,0,0,0|1,0,1]=4 564 B8R0.5 CC(=O)N[C@@H](C)CC#N 527a_100016994482_100103153847 [1,1,0,0,0,0|1,0,1]=4 565 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,1,0,0,0,0|0,0,1]=3 566 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,1,0,0,0,0|0,0,1]=3 567 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|1,0,1]=4 568 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|1,0,1]=4 569 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|1,0,1]=4 570 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|1,0,1]=4 571 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [1,1,0,0,0,0|0,0,1]=3 572 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [1,1,0,0,0,0|0,0,1]=3 573 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [1,1,0,0,0,0|0,0,1]=3 574 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [1,1,0,0,0,0|0,0,1]=3 575 B8R0.16 C=C[C@@H](CO)NC(=O)C 240690a_100016989147_100015343762 [1,1,0,0,0,0|1,0,0]=3 576 B8R0.16 C=C[C@@H](CO)NC(=O)C 527a_100016989147_100103153847 [1,1,0,0,0,0|1,0,0]=3 577 B8R0.16 CC(=O)NC(CO)CO 240690a_100000759517_100015343762 [1,1,0,0,0,0|0,0,1]=3 578 B8R0.16 CC(=O)NC(CO)CO 527a_100000759517_100103153847 [1,1,0,0,0,0|0,0,1]=3 579 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [1,1,0,0,0,0|1,0,1]=4 580 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [1,1,0,0,0,0|1,0,1]=4 581 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [1,1,0,0,0,0|1,0,1]=4 582 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [1,1,0,0,0,0|1,0,1]=4 583 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [1,1,0,0,0,0|0,0,1]=3 584 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [1,1,0,0,0,0|0,0,1]=3 585 B8R0.19 C#CC(C)NC(=O)CC 11a_100000707721_100000210414 [1,1,0,0,0,0|1,0,1]=4 586 B8R0.19 C#CC(C)NC(=O)CC 1626a_100000707721_100000210414 [1,1,0,0,0,0|1,0,1]=4 587 B8R0.19 C#CC(C)NC(=O)CC 240690a_100000707721_100000210414 [1,1,0,0,0,0|1,0,1]=4 588 B8R0.19 C#CC(C)NC(=O)CC 527a_100000707721_100000210414 [1,1,0,0,0,0|1,0,1]=4 589 B8R0.19 C#CC(C)NC(=O)CO 240690a_100000707721_100000210174 [1,1,0,0,0,0|1,0,1]=4 590 B8R0.19 C#CC(C)NC(=O)CO 527a_100000707721_100000210174 [1,1,0,0,0,0|1,0,1]=4 591 B8R0.19 C#CC(C)NC(=O)NC 2708a_100000707721_106832991635 [1,1,0,0,0,0|1,0,1]=4 592 B8R0.19 C#CC(C)NC(=O)NC 2708a_100102657272_100000707721 [1,1,0,0,0,0|1,0,1]=4 593 B8R0.19 C#CC(C)NC(=O)NC 273464a_100000707721_100102657272 [1,1,0,0,0,0|1,0,1]=4 594 B8R0.19 C#CC(C)NC(=O)NC 273464a_100102657272_100000707721 [1,1,0,0,0,0|1,0,1]=4 595 B8R0.19 C#CC(C)NC(=O)NC 512a_100000707721_100102657272 [1,1,0,0,0,0|1,0,1]=4 596 B8R0.19 C#CC(C)NC(=O)NC 512a_106832991638_100000707721 [1,1,0,0,0,0|1,0,1]=4 597 B8R0.19 C=CC(=O)N[C@H](C)CO 240690a_100000737577_200121576911 [1,1,0,0,0,0|0,0,2]=4 598 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [1,1,0,0,0,0|2,0,0]=4 599 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [1,1,0,0,0,0|2,0,0]=4 600 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [1,1,0,0,0,0|2,0,0]=4 601 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [1,1,0,0,0,0|2,0,0]=4 602 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [1,1,0,0,0,0|2,0,0]=4 603 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [1,1,0,0,0,0|2,0,0]=4 604 B8R0.19 CC(C#N)NC(=O)CO 527a_100000737613_100000210174 [1,1,0,0,0,0|1,0,1]=4 605 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|1,0,1]=4 606 B8R0.19 CCC(=O)NC(C)C#N 11a_100000737613_100000210414 [1,1,0,0,0,0|1,0,1]=4 607 B8R0.19 CCC(=O)NC(C)C#N 1626a_100000737613_100000210414 [1,1,0,0,0,0|1,0,1]=4 608 B8R0.19 CCC(=O)NC(C)C#N 527a_100000737613_100000210414 [1,1,0,0,0,0|1,0,1]=4 609 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|1,0,1]=4 610 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|1,0,1]=4 611 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|1,0,1]=4 612 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|1,0,1]=4 613 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [1,1,0,0,0,0|1,0,1]=4 614 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [1,1,0,0,0,0|1,0,1]=4 615 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [1,1,0,0,0,0|1,0,1]=4 616 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [1,1,0,0,0,0|1,0,1]=4 617 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [1,1,0,0,0,0|0,0,1]=3 618 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [1,1,0,0,0,0|0,0,1]=3 619 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [1,1,0,0,0,0|1,0,1]=4 620 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [1,1,0,0,0,0|1,0,1]=4 621 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,1,0,0,0,0|1,0,1]=4 622 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,1,0,0,0,0|1,0,1]=4 623 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,1,0,0,0,0|1,0,1]=4 624 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,1,0,0,0,0|1,0,1]=4 625 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,1,0,0,0,0|1,0,1]=4 626 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,1,0,0,0,0|1,0,1]=4 627 B8R0.19 CNC(=O)NC(C)C#N 2708a_100000737613_106832991635 [1,1,0,0,0,0|1,0,1]=4 628 B8R0.19 CNC(=O)NC(C)C#N 2708a_100102657272_100000737613 [1,1,0,0,0,0|1,0,1]=4 629 B8R0.19 CNC(=O)NC(C)C#N 273464a_100000737613_100102657272 [1,1,0,0,0,0|1,0,1]=4 630 B8R0.19 CNC(=O)NC(C)C#N 273464a_100102657272_100000737613 [1,1,0,0,0,0|1,0,1]=4 631 B8R0.19 CNC(=O)NC(C)C#N 512a_100000737613_100102657272 [1,1,0,0,0,0|1,0,1]=4 632 B8R0.19 CNC(=O)NC(C)C#N 512a_106832991638_100000737613 [1,1,0,0,0,0|1,0,1]=4 633 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [1,1,0,0,0,0|1,0,1]=4 634 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [1,1,0,0,0,0|1,0,1]=4 635 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [1,1,0,0,0,0|1,0,1]=4 636 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [1,1,0,0,0,0|1,0,1]=4 637 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [1,1,0,0,0,0|1,0,1]=4 638 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [1,1,0,0,0,0|0,0,1]=3 639 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [1,1,0,0,0,0|0,0,1]=3 640 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [1,1,0,0,0,0|0,0,1]=3 641 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [1,1,0,0,0,0|0,0,1]=3 642 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [1,1,0,0,0,0|1,0,1]=4 643 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [1,1,0,0,0,0|1,0,1]=4 644 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [1,1,0,0,0,0|1,0,1]=4 645 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [1,1,0,0,0,0|0,0,1]=3 646 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [1,1,0,0,0,0|0,0,1]=3 647 B8R0.24 C[C@H](CO)NS(=O)(=O)C 40a_100000737577_100000738038 [1,1,0,0,0,0|1,0,1]=4 648 B8R0.34 C#CC(C)(C)NC(=O)C 11a_100000054563_100015343762 [1,1,0,0,0,0|1,0,1]=4 649 B8R0.34 C#CC(C)(C)NC(=O)C 1626a_100000054563_100015343762 [1,1,0,0,0,0|1,0,1]=4 650 B8R0.34 C#CC(C)(C)NC(=O)C 240690a_100000054563_100015343762 [1,1,0,0,0,0|1,0,1]=4 651 B8R0.34 CC(=O)NC(C)(C)C#N 11a_100000761509_100015343762 [1,1,0,0,0,0|1,0,1]=4 652 B8R0.34 CC(=O)NC(C)(C)C#N 1626a_100000761509_100015343762 [1,1,0,0,0,0|1,0,1]=4 653 B8R0.34 CC(=O)NC(C)(C)C#N 527a_100000761509_100103153847 [1,1,0,0,0,0|1,0,1]=4 654 B8R0.34 CC(=O)NC(C)(C)CO 240690a_100000210608_100015343762 [1,1,0,0,0,0|0,0,1]=3 655 B8R0.34 CC(=O)NC(C)(C)CO 527a_100020618417_100103153847 [1,1,0,0,0,0|0,0,1]=3 656 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [1,1,0,0,0,0|1,0,1]=4 657 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [1,1,0,0,0,0|1,0,1]=4 658 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [1,1,0,0,0,0|1,0,1]=4 659 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [1,1,0,0,0,0|1,0,1]=4 660 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|1,0,1]=4 661 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [1,1,0,0,0,0|1,0,1]=4 662 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [1,1,0,0,0,0|1,0,1]=4 663 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,1,0,0,0,0|0,0,1]=3 664 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [1,1,0,0,0,0|1,0,1]=4 665 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [1,1,0,0,0,0|1,0,1]=4 666 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,1,0,0,0,0|1,0,1]=4 667 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,1,0,0,0,0|1,0,1]=4 668 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,1,0,0,0,0|1,0,1]=4 669 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,1,0,0,0,0|1,0,1]=4 670 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,1,0,0,0,0|2,0,0]=4 671 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,1,0,0,0,0|2,0,0]=4 672 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,1,0,0,0,0|2,0,0]=4 673 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,1,0,0,0,0|2,0,0]=4 674 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,1,0,0,0,0|2,0,0]=4 675 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,1,0,0,0,0|2,0,0]=4 676 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,1,0,0,0,0|2,0,0]=4 677 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [1,1,0,0,0,0|2,0,0]=4 678 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,1,0,0,0,0|2,0,0]=4 679 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,1,0,0,0,0|2,0,0]=4 680 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,1,0,0,0,0|2,0,0]=4 681 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [1,1,0,0,0,0|0,0,2]=4 682 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [1,1,0,0,0,0|1,0,1]=4 683 B8R0.8 C=CCNC(C)C(=O)N 2230a_100020586998_100000702099 [1,1,0,0,0,0|1,0,1]=4 684 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [1,1,0,0,0,0|0,0,1]=3 685 B8R0.8 C=CCN[C@H](C)C(=O)N 2230a_100000119354_100000210623 [1,1,0,0,0,0|1,0,1]=4 686 B8R0.8 C=CCN[C@H](C)C(=O)N 34a_100000119354_100015514636 [1,1,0,0,0,0|1,0,1]=4 687 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [1,1,0,0,0,0|1,0,1]=4 688 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [1,1,0,0,0,0|2,0,0]=4 689 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [1,1,0,0,0,0|2,0,0]=4 690 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [1,1,0,0,0,0|2,0,0]=4 691 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [1,1,0,0,0,0|1,0,1]=4 692 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [1,1,0,0,0,0|1,0,1]=4 693 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [1,1,0,0,0,0|1,0,1]=4 694 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [1,1,0,0,0,0|1,0,1]=4 695 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [1,1,0,0,0,0|2,0,0]=4 696 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [1,1,0,0,0,0|2,0,0]=4 697 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,1,0,0,0,0|0,0,1]=3 698 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [1,1,0,0,0,0|1,0,1]=4 699 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [1,1,0,0,0,0|1,0,1]=4 700 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,1,0,0,0,0|0,0,1]=3 701 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,1,0,0,0,0|1,0,1]=4 702 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,1,0,0,0,0|0,0,1]=3 703 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [1,1,0,0,0,0|1,0,1]=4 704 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,1,0,0,0,0|0,0,1]=3 705 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [1,1,0,0,0,0|1,0,1]=4 706 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [1,1,0,0,0,0|1,0,1]=4 707 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [1,1,0,0,0,0|1,0,0]=3 708 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [1,1,0,0,0,0|1,0,0]=3 709 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [1,1,0,0,0,0|1,0,1]=4 710 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [1,1,0,0,0,0|1,0,1]=4 711 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [1,1,0,0,0,0|1,0,1]=4 712 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [1,1,0,0,0,0|1,0,1]=4 713 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [1,1,0,0,0,0|2,0,0]=4 714 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [1,1,0,0,0,0|2,0,0]=4 715 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [1,1,0,0,0,0|0,0,2]=4 716 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [1,1,0,0,0,0|0,0,0]=2 717 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,1,0,0,0,0|0,0,1]=3 718 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,1,0,0,0,0|0,0,1]=3 719 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [1,1,0,0,0,0|1,0,1]=4 720 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [1,1,0,0,0,0|2,0,0]=4 721 B8R0.12 CC(C)(ON[13CH3])C(=O)O 269956a_100016989451_200025704644 [1,1,0,0,0,0|2,0,0]=4 722 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [1,1,0,0,0,0|1,0,1]=4 723 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [1,1,0,0,0,0|1,0,1]=4 724 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [1,1,0,0,0,0|1,0,1]=4 725 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [1,1,0,0,0,0|2,0,0]=4 726 B8R0.12 CNOC(C)(C)C(=O)O 269956a_100016989451_200000210301 [1,1,0,0,0,0|2,0,0]=4 727 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [1,1,0,0,0,0|0,0,2]=4 728 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,0,0,0,0|1,0,1]=4 729 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,0,0,0,0|1,0,1]=4 730 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [1,1,0,0,0,0|1,0,1]=4 731 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [1,1,0,0,0,0|1,0,1]=4 732 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [1,1,0,0,0,0|1,0,1]=4 733 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,1,0,0,0,0|0,0,1]=3 734 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [1,1,0,0,0,0|1,0,1]=4 735 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [1,1,0,0,0,0|1,0,1]=4 736 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,1,0,0,0,0|0,0,1]=3 737 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [1,1,0,0,0,0|1,0,1]=4 738 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [1,1,0,0,0,0|2,0,0]=4 739 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [1,1,0,0,0,0|2,0,0]=4 740 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [1,1,0,0,0,0|2,0,0]=4 741 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [1,1,0,0,0,0|2,0,0]=4 742 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [1,1,0,0,0,0|2,0,0]=4 743 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [1,1,0,0,0,0|2,0,0]=4 744 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [1,1,0,0,0,0|1,0,1]=4 745 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [1,1,0,0,0,0|1,0,1]=4 746 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [1,1,0,0,0,0|2,0,0]=4 747 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [1,1,0,0,0,0|2,0,0]=4 748 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [1,1,0,0,0,0|2,0,0]=4 749 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [1,1,0,0,0,0|2,0,0]=4 750 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [1,1,0,0,0,0|2,0,0]=4 751 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [1,1,0,0,0,0|2,0,0]=4 752 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [1,1,0,0,0,0|2,0,0]=4 753 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [1,1,0,0,0,0|2,0,0]=4 754 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [1,1,0,0,0,0|2,0,0]=4 755 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [1,1,0,0,0,0|2,0,0]=4 756 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [1,1,0,0,0,0|2,0,0]=4 757 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [1,1,0,0,0,0|2,0,0]=4 758 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [1,1,0,0,0,0|2,0,0]=4 759 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [1,1,0,0,0,0|1,0,1]=4 760 B8R0.9 C=CC(=O)NCC(=O)N 240690a_100000711301_200121576911 [1,1,0,0,0,0|1,0,1]=4 761 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [1,1,0,0,0,0|1,0,1]=4 762 B8R0.9 C=CC(=O)NNC(=O)C 22a_100000189765_100000185746 [1,1,0,0,0,0|2,0,0]=4 763 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [1,1,0,0,0,0|1,0,1]=4 764 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [1,1,0,0,0,0|2,0,0]=4 765 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [1,1,0,0,0,0|1,0,0]=3 766 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [1,1,0,0,0,0|1,0,1]=4 767 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [1,1,0,0,0,0|1,0,1]=4 768 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [1,1,0,0,0,0|1,0,1]=4 769 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [1,1,0,0,0,0|1,0,1]=4 770 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [1,1,0,0,0,0|0,0,2]=4 771 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [1,1,0,0,0,0|0,0,2]=4 772 B8R0.9 CC(=O)NN=C(C)CO 4a_100000189765_100000211253 [1,1,0,0,0,0|2,0,0]=4 773 B8R0.9 CC(=O)NNC(=O)CO 22a_100000189765_100000210174 [1,1,0,0,0,0|1,0,0]=3 774 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [1,1,0,0,0,0|2,0,0]=4 775 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [1,1,0,0,0,0|2,0,0]=4 776 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [1,1,0,0,0,0|1,0,1]=4 777 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [1,1,0,0,0,0|1,0,1]=4 778 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [1,1,0,0,0,0|1,0,1]=4 779 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,1,0,0,0,0|2,0,0]=4 780 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [1,1,0,0,0,0|1,0,0]=3 781 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [1,1,0,0,0,0|2,0,0]=4 782 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,1,0,0,0,0|2,0,0]=4 783 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [1,1,0,0,0,0|2,0,0]=4 784 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,1,0,0,0,0|1,0,0]=3 785 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [1,1,0,0,0,0|1,0,0]=3 786 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [1,1,0,0,0,0|1,0,0]=3 787 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [1,1,0,0,0,0|1,0,0]=3 788 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,1,0,0,0,0|1,0,0]=3 789 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,1,0,0,0,0|1,0,1]=4 790 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,1,0,0,0,0|1,0,1]=4 791 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,1,0,0,0,0|1,0,1]=4 792 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [1,1,0,0,0,0|2,0,0]=4 793 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [1,1,0,0,0,0|2,0,0]=4 794 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [1,1,0,0,0,0|1,0,1]=4 795 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,1,0,0,0,0|1,0,1]=4 796 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,1,0,0,0,0|1,0,1]=4 797 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,1,0,0,0,0|1,0,1]=4 798 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,1,0,0,0,0|2,0,0]=4 799 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [1,1,0,0,0,0|2,0,0]=4 800 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [1,1,0,0,0,0|2,0,0]=4 801 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,1,0,0,0,0|2,0,0]=4 802 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [1,1,0,0,0,0|1,0,0]=3 803 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [1,1,0,0,0,0|1,0,0]=3 804 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [1,1,0,0,0,0|1,0,0]=3 805 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [1,1,0,0,0,0|1,0,0]=3 806 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [1,1,0,0,0,0|1,0,0]=3 807 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [1,1,0,0,0,0|1,0,0]=3 808 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [1,1,0,0,0,0|1,0,0]=3 809 B8R0.9 CNC(=O)CNC(=O)N 240690a_100102657272_100000184981 [1,1,0,0,0,0|2,0,0]=4 810 B8R0.9 CNC(=O)CNC(=O)N 527a_100102657272_100000184981 [1,1,0,0,0,0|2,0,0]=4 811 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [1,1,0,0,0,0|2,0,0]=4 812 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [1,1,0,0,0,0|2,0,0]=4 813 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [1,1,0,0,0,0|2,0,0]=4 814 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [1,1,0,0,0,0|2,0,0]=4 815 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [1,1,0,0,0,0|2,0,0]=4 816 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [1,1,0,0,0,0|2,0,0]=4 817 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [1,1,0,0,0,0|1,0,0]=3 818 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [1,1,0,0,0,0|1,0,0]=3 819 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [1,1,0,0,0,0|1,0,0]=3 820 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [1,1,0,0,0,0|1,0,0]=3 821 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [1,1,0,0,0,0|1,0,1]=4 822 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [1,1,0,0,0,0|1,0,1]=4 823 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [1,1,0,0,0,0|1,0,1]=4 824 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [1,1,0,0,0,0|1,0,1]=4 825 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [1,1,0,0,0,0|1,0,1]=4 826 B8R0.9 CNC(=O)NNC(=O)C 273464a_100102657272_100000189765 [1,1,0,0,0,0|2,0,0]=4 827 B8R0.9 CNC(=O)NNC(=O)C 512a_100000189765_100102657272 [1,1,0,0,0,0|2,0,0]=4 828 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,1,0,0,0,0|1,0,0]=3 829 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,1,0,0,0,0|1,0,0]=3 830 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [1,1,0,0,0,0|0,0,0]=2 831 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [1,1,0,0,0,0|1,0,1]=4 832 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [1,1,0,0,0,0|1,0,1]=4 833 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [1,1,0,0,0,0|1,0,0]=3 834 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [1,1,0,0,0,0|1,0,0]=3 835 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [1,1,0,0,0,0|0,0,2]=4 836 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [1,1,0,0,0,0|1,0,1]=4 837 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [1,1,0,0,0,0|1,0,1]=4 838 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [1,1,0,0,0,0|1,0,1]=4 839 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [1,1,0,0,0,0|1,0,1]=4 840 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [1,1,0,0,0,0|0,0,2]=4 841 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [1,1,0,0,0,0|2,0,0]=4 842 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [1,1,0,0,0,0|1,0,0]=3 843 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [1,1,0,0,0,0|1,0,0]=3 844 B8R0.9 NC(=O)NCC(=O)CF 1458a_100000184981_100015361967 [1,1,0,0,0,0|2,0,0]=4 845 B8R0.29 CC(=O)CNS(=O)(=O)C 1458a_100000737300_200000210301 [1,1,0,0,0,0|2,0,0]=4 846 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [1,1,0,0,0,0|1,0,1]=4 847 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [1,1,0,0,0,0|1,0,1]=4 848 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [1,1,0,0,0,0|1,0,1]=4 849 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [1,1,0,0,0,0|1,0,1]=4 850 B8R0.29 CS(=O)(=O)NCC(=O)[13CH3] 1458a_100000737300_200025704644 [1,1,0,0,0,0|2,0,0]=4 851 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [0,1,0,0,1,0|1,0,0]=3 852 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [0,1,0,0,1,0|1,0,0]=3 853 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,1,0,0,1,0|1,0,1]=4 854 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,1,0,0,1,0|0,0,2]=4 855 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [0,1,0,0,1,0|1,0,0]=3 856 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,1,0,0,1,0|2,0,0]=4 857 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,1,0,0,1,0|2,0,0]=4 858 B8R0.18 CNC(C(=O)N)C(=O)N 2230a_100000025885_200000210301 [0,1,0,0,1,0|2,0,0]=4 859 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,1,0,0,1,0|0,0,2]=4 860 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,1,0,0,1,0|1,0,1]=4 861 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [0,1,0,0,1,0|1,0,0]=3 862 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [0,1,0,0,1,0|1,0,0]=3 863 B8R0.18 [13CH3]NC(C(=O)N)C(=O)N 2230a_100000025885_200025704644 [0,1,0,0,1,0|2,0,0]=4 864 B8R0.37 C=C(Cl)C(C)(C)C(=O)C 1458a_100000049003_200000210301 [0,1,0,0,1,0|2,0,0]=4 865 B8R0.37 C=C(Cl)C(C)(C)C(=O)[13CH3] 1458a_100000049003_200025704644 [0,1,0,0,1,0|2,0,0]=4 866 B8R0.37 CC(=O)C(F)(F)C(=O)N 1458a_100000070787_100009811971 [0,1,0,0,1,0|2,0,0]=4 867 B10R0.13 C=C(C)CN(C)C(C)C(=O)C 2230a_100000225649_100009814033 [0,1,0,0,0,1|2,0,0]=4 868 B10R0.13 C=C(C)CN(C)C(C)C(=O)C 269982a_100000225649_100009814033 [0,1,0,0,0,1|2,0,0]=4 869 B10R0.13 C=C(C)CN(C)C(C)C(=O)N 2230a_100000225649_100000702099 [0,1,0,0,0,1|2,0,0]=4 870 B10R0.13 C=C(C)CN(C)C(C)C(=O)N 269982a_100000225649_100000184083 [0,1,0,0,0,1|2,0,0]=4 871 B10R0.13 C=C(C)CN(C)C(C)C(=O)O 269956a_100000749554_100000748629 [0,1,0,0,0,1|1,0,0]=3 872 B10R0.13 C=C(F)CN(C)C(C)C(=O)O 269956a_100000749554_100000042424 [0,1,0,0,0,1|1,0,1]=4 873 B10R0.13 CC(=O)C(C)C(=O)NC(=O)N 1458a_100000070787_100000183865 [0,1,0,0,0,1|2,0,0]=4 874 B10R0.13 CC(=O)C(C)N(C)CC(=O)N 2230a_100000739694_100009814033 [0,1,0,0,0,1|2,0,0]=4 875 B10R0.13 CC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100009814033 [0,1,0,0,0,1|2,0,0]=4 876 B10R0.13 CC(C(=O)N)N(C)CC(=O)N 2230a_100000739694_100000702099 [0,1,0,0,0,1|2,0,0]=4 877 B10R0.13 CC(C(=O)O)N(C)CC(=O)N 269956a_100000749554_100000187820 [0,1,0,0,0,1|1,0,0]=3 878 B10R0.13 CC(C(=O)O)N(C)CC(=O)[O-] 269956a_100000749554_100020667443 [0,1,0,0,0,1|1,0,0]=3 879 B10R0.13 CC(C(=O)O)N(C)C[C@@H](C)O 269956a_100000749554_100009817552 [0,1,0,0,0,1|0,0,2]=4 880 B10R0.13 CC(C(=O)O)N(C)C[N+](=O)[O-] 269956a_100000749554_100000761209 [0,1,0,0,0,1|2,0,0]=4 881 B10R0.13 CC(C)CN(C)C(C)C(=O)O 269956a_100000749554_100000210760 [0,1,0,0,0,1|1,0,1]=4 882 B10R0.13 CC(O)CN(C)C(C)C(=O)O 269956a_100000749554_100011218427 [0,1,0,0,0,1|0,0,2]=4 883 B10R0.43 C=C(C)CNC(C)(C)C(=O)N 2230a_100000743658_100000748629 [0,1,0,0,0,1|2,0,0]=4 884 B10R0.43 C=C(C)CNC(C)(C)C(=O)N 34a_100000743658_100000748629 [0,1,0,0,0,1|2,0,0]=4 885 B10R0.43 CC(=O)C(C)(C)NCC(=O)O 269956a_100016091260_100000075568 [0,1,0,0,0,1|2,0,0]=4 886 B10R0.43 CC(=O)COC(C)(C)C(=O)N 34a_100000211253_100000702505 [0,1,0,0,0,1|2,0,0]=4 887 B10R0.43 CC(=O)NCC(C)(C)C(=O)N 11a_100000740840_100015343762 [0,1,0,0,0,1|1,0,0]=3 888 B10R0.43 CC(=O)NCC(C)(C)C(=O)N 1626a_100000740840_100015343762 [0,1,0,0,0,1|1,0,0]=3 889 B10R0.43 CC(=O)NCC(C)(C)C(=O)N 240690a_100000740840_100015343762 [0,1,0,0,0,1|1,0,0]=3 890 B10R0.43 CC(=O)NCC(C)(C)C(=O)N 527a_100000740840_100103153847 [0,1,0,0,0,1|1,0,0]=3 891 B10R0.43 CC(C)(NCC(=O)N)C(=O)N 2230a_100000711301_100000702505 [0,1,0,0,0,1|2,0,0]=4 892 B10R0.43 CC(C)(NCC(=O)N)C(=O)N 2230a_100000743658_100000747473 [0,1,0,0,0,1|2,0,0]=4 893 B10R0.43 CC(C)(NCC(=O)N)C(=O)N 34a_100000743658_100000187820 [0,1,0,0,0,1|2,0,0]=4 894 B10R0.43 CC(C)(NCC(=O)[O-])C(=O)N 34a_100000743658_100020667443 [0,1,0,0,0,1|2,0,0]=4 895 B10R0.43 CC(C)NCC(C)(C)C(=O)O 269956a_100000693527_100000210206 [0,1,0,0,0,1|1,0,1]=4 896 B10R0.43 CC(C)NOC(C)(C)C(=O)O 269956a_100016989451_100000210206 [0,1,0,0,0,1|1,0,1]=4 897 B10R0.57 C=C(C)CN[C@H](C)C(=O)NC 2230a_100000684985_100000748629 [0,1,0,0,0,1|2,0,0]=4 898 B10R0.57 C=C(C)CN[C@H](C)C(=O)NC 34a_100000684985_100000748629 [0,1,0,0,0,1|2,0,0]=4 899 B10R0.57 C=C(C)COC(C)C(=O)OC 34a_100000210245_100000211248 [0,1,0,0,0,1|2,0,0]=4 900 B10R0.57 C=C(C)COC(C)C(=O)OC 34a_100011215400_100000748629 [0,1,0,0,0,1|2,0,0]=4 901 B10R0.57 C=C(C)CSC(C)C(=O)OC 62a_100000211248_100000211660 [0,1,0,0,0,1|2,0,0]=4 902 B10R0.57 C=C(C)CSC(C)C(=O)OC 62a_100000748629_100000211248 [0,1,0,0,0,1|2,0,0]=4 903 B10R0.57 CC(=O)NN=C(C)C(=NO)C 4a_100000189765_100000066335 [0,1,0,0,0,1|1,0,1]=4 904 B10R0.57 CC(=O)SC[C@@H](C)C(=O)CF 1458a_200015407212_100015361967 [0,1,0,0,0,1|2,0,0]=4 905 B10R0.57 CCC(=O)C(C)NCC(=O)N 2230a_100000711301_100000742827 [0,1,0,0,0,1|2,0,0]=4 906 B10R0.57 CCC(=O)C(C)NCC(=O)O 269956a_100016091260_100000742827 [0,1,0,0,0,1|2,0,0]=4 907 B10R0.57 CCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210202 [0,1,0,0,0,1|2,0,0]=4 908 B10R0.57 CNC(=O)C(C)CNC(=O)C 11a_100015187722_100015343762 [0,1,0,0,0,1|1,0,0]=3 909 B10R0.57 CNC(=O)C(C)CNC(=O)C 240690a_100015187722_100015343762 [0,1,0,0,0,1|1,0,0]=3 910 B10R0.57 CNC(=O)C(C)CNC(=O)C 527a_100015187722_100103153847 [0,1,0,0,0,1|1,0,0]=3 911 B10R0.57 CNC(=O)C(C)NCC(=O)N 2230a_100000711301_100000731044 [0,1,0,0,0,1|2,0,0]=4 912 B10R0.57 CNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000209862 [0,1,0,0,0,1|2,0,0]=4 913 B10R0.57 CNC(=O)C(C)OCC(=O)C 34a_100000211253_100000731044 [0,1,0,0,0,1|2,0,0]=4 914 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)N 2230a_100000684985_100000747473 [0,1,0,0,0,1|2,0,0]=4 915 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)N 34a_100000684985_100000187820 [0,1,0,0,0,1|2,0,0]=4 916 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)[O-] 34a_100000684985_100020667443 [0,1,0,0,0,1|2,0,0]=4 917 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 11a_106832991635_200015407212 [0,1,0,0,0,1|2,0,0]=4 918 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 1626a_100102657272_200015407212 [0,1,0,0,0,1|2,0,0]=4 919 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 240690a_100102657272_200015407212 [0,1,0,0,0,1|2,0,0]=4 920 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 527a_100102657272_200015407212 [0,1,0,0,0,1|2,0,0]=4 921 B10R0.57 COC(=O)C(=NNC(=O)C)C 4a_100000189765_100000211753 [0,1,0,0,0,1|0,0,1]=3 922 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,1,0,0,0,1|1,0,0]=3 923 B10R0.57 COC(=O)C(C)CNC(C)C 34a_100138425928_100000698445 [0,1,0,0,0,1|1,0,1]=4 924 B10R0.57 COC(=O)C(C)NCC(=O)N 2230a_100000711301_100000211248 [0,1,0,0,0,1|1,0,0]=3 925 B10R0.57 COC(=O)C(C)NCC(C)C 2230a_100000210953_100000211248 [0,1,0,0,0,1|1,0,1]=4 926 B10R0.57 COC(=O)C(C)NCC(C)C 34a_100000210953_100000211248 [0,1,0,0,0,1|1,0,1]=4 927 B10R0.57 COC(=O)C(C)NCC(C)O 2230a_100000210904_100000211248 [0,1,0,0,0,1|0,0,2]=4 928 B10R0.57 COC(=O)C(C)NCC(C)O 34a_100000210904_100000211248 [0,1,0,0,0,1|0,0,2]=4 929 B10R0.57 COC(=O)C(C)OCC(=O)C 34a_100000211253_100000211248 [0,1,0,0,0,1|1,0,0]=3 930 B10R0.57 COC(=O)C(C)OCC(=O)N 34a_100011215400_100000187820 [0,1,0,0,0,1|2,0,0]=4 931 B10R0.57 COC(=O)C(C)OCC(=O)[O-] 34a_100011215400_100020667443 [0,1,0,0,0,1|2,0,0]=4 932 B10R0.57 COC(=O)C(C)SCC(=O)N 62a_100000211248_100000747473 [0,1,0,0,0,1|2,0,0]=4 933 B10R0.57 COC(=O)C(C)SCC(=O)N 62a_100000747473_100000211248 [0,1,0,0,0,1|2,0,0]=4 934 B10R0.57 COC(=O)C(C)SCC(=O)[O-] 62a_100000211248_100020667443 [0,1,0,0,0,1|2,0,0]=4 935 B10R0.57 COC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000211248 [0,1,0,0,0,1|2,0,0]=4 936 B10R0.57 COC(=O)C(O)CNC(=O)C 188690a_100000695228_100015343762 [0,1,0,0,0,1|1,0,0]=3 937 B10R0.82 C#CC(C)NCC(C)C(=O)O 269956a_100000749485_200000035995 [0,1,0,0,0,1|1,0,1]=4 938 B10R0.82 C=C(C#N)CN[C@@H](C)C(=O)O 269956a_100000743915_100000694840 [0,1,0,0,0,1|1,0,1]=4 939 B10R0.82 C=C(C)C(C)NCC(=O)NC 269862a_100000693194_100011216138 [0,1,0,0,0,1|2,0,0]=4 940 B10R0.82 C=CC(C)NCC(C)C(=O)O 269956a_100000749485_100011215867 [0,1,0,0,0,1|1,0,1]=4 941 B10R0.82 CC(C#N)NCC(C)C(=O)O 269956a_100000749485_100000184139 [0,1,0,0,0,1|1,0,1]=4 942 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,1,0,0,0,1|0,0,2]=4 943 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,1,0,0,0,1|0,0,0]=2 944 B10R0.82 CCC(=O)COC(C)C(=O)N 34a_100000725409_100000702099 [0,1,0,0,0,1|2,0,0]=4 945 B10R0.82 CCC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747405 [0,1,0,0,0,1|1,0,1]=4 946 B10R0.82 CCC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747405 [0,1,0,0,0,1|2,0,0]=4 947 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100000747405_100009814033 [0,1,0,0,0,1|2,0,0]=4 948 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747405 [0,1,0,0,0,1|2,0,0]=4 949 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000702099_100000747405 [0,1,0,0,0,1|2,0,0]=4 950 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000747405_100000702099 [0,1,0,0,0,1|2,0,0]=4 951 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,1,0,0,0,1|1,0,1]=4 952 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,1,0,0,0,1|1,0,1]=4 953 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,1,0,0,0,1|0,0,2]=4 954 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,1,0,0,0,1|1,0,1]=4 955 B10R0.82 CNC(=O)CNC(C)C(=O)C 2230a_100000693194_100009814033 [0,1,0,0,0,1|1,0,0]=3 956 B10R0.82 CNC(=O)CNC(C)C(=O)N 2230a_100000693194_100000702099 [0,1,0,0,0,1|1,0,0]=3 957 B10R0.82 CNC(=O)CNC(F)C(=O)N 2230a_100000693194_100009813875 [0,1,0,0,0,1|2,0,0]=4 958 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183359 [0,1,0,0,0,1|0,0,0]=2 959 B10R0.82 CNC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000183359 [0,1,0,0,0,1|1,0,0]=3 960 B10R0.82 CNC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000183359 [0,1,0,0,0,1|1,0,0]=3 961 B10R0.82 CNC(=O)COC(C)C(=O)C 34a_100000212229_100000183359 [0,1,0,0,0,1|2,0,0]=4 962 B10R0.82 CNC(=O)COC(C)C(=O)N 34a_100000750040_100000702099 [0,1,0,0,0,1|2,0,0]=4 963 B10R0.82 CNC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000183359 [0,1,0,0,0,1|1,0,1]=4 964 B10R0.82 CNC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000183359 [0,1,0,0,0,1|2,0,0]=4 965 B10R0.82 CNC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000183359 [0,1,0,0,0,1|2,0,0]=4 966 B10R0.82 CNC(=O)CSC(C)C(=O)C 62a_100000183359_100009814033 [0,1,0,0,0,1|2,0,0]=4 967 B10R0.82 CNC(=O)CSC(C)C(=O)C 62a_100009814033_100000183359 [0,1,0,0,0,1|2,0,0]=4 968 B10R0.82 CNC(=O)CSC(C)C(=O)N 62a_100000183359_100000702099 [0,1,0,0,0,1|2,0,0]=4 969 B10R0.82 CNC(=O)CSC(C)C(=O)N 62a_100000702099_100000183359 [0,1,0,0,0,1|2,0,0]=4 970 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,1,0,0,0,1|0,0,0]=2 971 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000747449 [0,1,0,0,0,1|1,0,0]=3 972 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000747449 [0,1,0,0,0,1|1,0,0]=3 973 B10R0.82 COC(=O)COC(C)C(=O)C 34a_100000212229_100000747449 [0,1,0,0,0,1|2,0,0]=4 974 B10R0.82 COC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747449 [0,1,0,0,0,1|1,0,1]=4 975 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000747449 [0,1,0,0,0,1|2,0,0]=4 976 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747449 [0,1,0,0,0,1|2,0,0]=4 977 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100000747449_100009814033 [0,1,0,0,0,1|2,0,0]=4 978 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100009814033_100000747449 [0,1,0,0,0,1|2,0,0]=4 979 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000702099_100000747449 [0,1,0,0,0,1|2,0,0]=4 980 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000747449_100000702099 [0,1,0,0,0,1|2,0,0]=4 981 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,1,0,0,0,1|0,0,2]=4 982 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,1,0,0,0,1|0,0,2]=4 983 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,1,0,0,0,1|0,0,2]=4 984 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,1,0,0,0,1|0,0,2]=4 985 B10R0.82 C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743915_100009815848 [0,1,0,0,0,1|0,0,2]=4 986 B10R0.84 C=C(C)CNC(CC)C(=O)N 2230a_100000733705_100000748629 [0,1,0,0,0,1|2,0,0]=4 987 B10R0.84 C=C(C)CNC(CC)C(=O)N 34a_100000733705_100000748629 [0,1,0,0,0,1|2,0,0]=4 988 B10R0.84 C=C(C)CNC(CO)C(=O)O 269956a_100000187304_100000748629 [0,1,0,0,0,1|1,0,0]=3 989 B10R0.84 C=C(C)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000748629 [0,1,0,0,0,1|2,0,0]=4 990 B10R0.84 C=C(C)CN[C@@H](CO)C(=O)N 34a_100000729942_100000748629 [0,1,0,0,0,1|2,0,0]=4 991 B10R0.84 C=C(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748629 [0,1,0,0,0,1|1,0,0]=3 992 B10R0.84 C=C(F)CNC(CO)C(=O)O 269956a_100000187304_100000042424 [0,1,0,0,0,1|1,0,1]=4 993 B10R0.84 C=C(F)CN[C@H](CC)C(=O)O 269956a_100000747097_100000042424 [0,1,0,0,0,1|1,0,1]=4 994 B10R0.84 C=C[C@H](NCC(=C)C)C(=O)O 269956a_100016992060_100000748629 [0,1,0,0,0,1|1,0,1]=4 995 B10R0.84 C=C[C@H](NCC(=O)N)C(=O)O 269956a_100016992060_100000187820 [0,1,0,0,0,1|1,0,1]=4 996 B10R0.84 C=C[C@H](NCC(=O)[O-])C(=O)O 269956a_100016992060_100020667443 [0,1,0,0,0,1|1,0,1]=4 997 B10R0.84 CC(=CCC(N[13CH3])C(=O)O)C 269956a_100102631519_200025704644 [0,1,0,0,0,1|2,0,0]=4 998 B10R0.84 CC(C)CNC(CO)C(=O)O 269956a_100000187304_100000210760 [0,1,0,0,0,1|1,0,1]=4 999 B10R0.84 CC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218427 [0,1,0,0,0,1|0,0,2]=4 1000 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000711301_100000750255 [0,1,0,0,0,1|2,0,0]=4 1001 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000733705_100000747473 [0,1,0,0,0,1|2,0,0]=4 1002 B10R0.84 CCC(NCC(=O)N)C(=O)N 34a_100000733705_100000187820 [0,1,0,0,0,1|2,0,0]=4 1003 B10R0.84 CCC(NCC(=O)O)C(=O)N 269956a_100016091260_200011216081 [0,1,0,0,0,1|2,0,0]=4 1004 B10R0.84 CCC(NCC(=O)[O-])C(=O)N 34a_100000733705_100020667443 [0,1,0,0,0,1|2,0,0]=4 1005 B10R0.84 CCC(OCC(=O)C)C(=O)N 34a_100000211253_100000750255 [0,1,0,0,0,1|2,0,0]=4 1006 B10R0.84 CC[C@@H](NCC(=O)N)C(=O)O 269956a_100000747097_100000187820 [0,1,0,0,0,1|1,0,0]=3 1007 B10R0.84 CC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100000747097_100020667443 [0,1,0,0,0,1|1,0,0]=3 1008 B10R0.84 CC[C@@H](NCC(C)C)C(=O)O 269956a_100000747097_100000210760 [0,1,0,0,0,1|1,0,1]=4 1009 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [0,1,0,0,0,1|0,0,2]=4 1010 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [0,1,0,0,0,1|0,0,2]=4 1011 B10R0.84 CC[C@@H](NC[N+](=O)[O-])C(=O)O 269956a_100000747097_100000761209 [0,1,0,0,0,1|2,0,0]=4 1012 B10R0.84 CNC(CC=C(C)C)C(=O)O 269956a_100102631519_200000210301 [0,1,0,0,0,1|2,0,0]=4 1013 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [0,1,0,0,0,1|2,0,0]=4 1014 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [0,1,0,0,0,1|2,0,0]=4 1015 B10R0.84 C[C@@H](O)CNC(CO)C(=O)O 269956a_100000187304_100009817552 [0,1,0,0,0,1|0,0,2]=4 1016 B10R0.84 NC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000187820 [0,1,0,0,0,1|1,0,0]=3 1017 B10R0.84 NC(=O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000747473 [0,1,0,0,0,1|2,0,0]=4 1018 B10R0.84 NC(=O)CN[C@@H](CO)C(=O)N 34a_100000729942_100000187820 [0,1,0,0,0,1|2,0,0]=4 1019 B10R0.84 NC(=O)[C@H](CO)NCC(=O)[O-] 34a_100000729942_100020667443 [0,1,0,0,0,1|2,0,0]=4 1020 B10R0.84 O=C(O)C(CO)NC[N+](=O)[O-] 269956a_100000187304_100000761209 [0,1,0,0,0,1|2,0,0]=4 1021 B10R0.84 O=C([O-])CNC(CO)C(=O)O 269956a_100000187304_100020667443 [0,1,0,0,0,1|1,0,0]=3 1022 B10R0.92 CC(CNC(C)(C)C)C(=O)O 269956a_100000749485_100000211941 [0,1,0,0,0,1|1,0,1]=4 1023 B10R0.92 C[C@H](NCC(C)(C)C)C(=O)O 269956a_100000743915_100011219605 [0,1,0,0,0,1|1,0,1]=4 1024 B10R0.92 C[C@H](NCC(C)(C)F)C(=O)O 269956a_100000743915_100011997219 [0,1,0,0,0,1|1,0,1]=4 1025 B10R0.92 C[C@H](NCC(C)(C)O)C(=O)O 269956a_100000743915_100000764493 [0,1,0,0,0,1|0,0,2]=4 1026 B10R0.92 C[C@H](NCS(=O)(=O)N)C(=O)O 269956a_100000743915_100000741382 [0,1,0,0,0,1|2,0,0]=4 1027 B10R0.92 C[C@H](NCS(=O)(=O)[O-])C(=O)O 269956a_100000743915_100009817235 [0,1,0,0,0,1|2,0,0]=4 1028 B10R0.92 C[C@H](NC[N+](C)(C)C)C(=O)O 269956a_100000743915_200000036245 [0,1,0,0,0,1|2,0,0]=4 1029 B10R0.92 C[C@H](NC[Si](C)(C)C)C(=O)O 269956a_100000743915_100000037933 [0,1,0,0,0,1|1,1,0]=4 1030 B10R0.93 C=C(C)C(=O)N[C@H](C)C(=O)N 11a_100000119354_100000185857 [0,1,0,0,0,1|2,0,0]=4 1031 B10R0.93 CC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009814033 [0,1,0,0,0,1|0,0,0]=2 1032 B10R0.93 CC(=O)C(C)N[C@H](C)C(=O)N 2230a_100000119354_100009814033 [0,1,0,0,0,1|1,0,0]=3 1033 B10R0.93 CC(=O)C(C)OC(C)C(=O)N 34a_100000212229_100000702099 [0,1,0,0,0,1|2,0,0]=4 1034 B10R0.93 CC(=O)C(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000179758 [0,1,0,0,0,1|1,0,1]=4 1035 B10R0.93 CC(=O)C(C)O[C@H](C)C(=O)N 7a_100000731257_100000179758 [0,1,0,0,0,1|2,0,0]=4 1036 B10R0.93 CC(=O)C(C)SC(C)C(=O)C 62a_100009814033_100009814033 [0,1,0,0,0,1|2,0,0]=4 1037 B10R0.93 CC(=O)C(C)SC(C)C(=O)N 62a_100000702099_100009814033 [0,1,0,0,0,1|2,0,0]=4 1038 B10R0.93 CC(=O)C(C)SC(C)C(=O)N 62a_100009814033_100000702099 [0,1,0,0,0,1|2,0,0]=4 1039 B10R0.93 CC(N[C@H](C)C(=O)N)C(=O)N 2230a_100000119354_100000702099 [0,1,0,0,0,1|2,0,0]=4 1040 B10R0.93 CC(N[C@H](C)C(=O)N)C(=O)N 34a_100000119354_100000702099 [0,1,0,0,0,1|2,0,0]=4 1041 B10R0.93 C[C@@H](NC(=O)C(=O)N)C(=O)N 240690a_100000119354_100011215815 [0,1,0,0,0,1|2,0,0]=4 1042 B10R0.93 C[C@@H](NC(F)C(=O)N)C(=O)N 2230a_100000119354_100009813875 [0,1,0,0,0,1|2,0,0]=4 1043 B10R0.93 C[C@@H](NC(F)C(=O)N)C(=O)N 34a_100000119354_100009813875 [0,1,0,0,0,1|2,0,0]=4 1044 B10R0.93 C[C@@H](NC(F)C(=O)[O-])C(=O)N 34a_100000119354_100020610796 [0,1,0,0,0,1|2,0,0]=4 1045 B10R0.44 CC(=O)NC(=O)CC(=O)CO 1458a_100000210174_100000183797 [0,1,0,0,0,1|1,0,1]=4 1046 B10R0.44 CCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747405 [0,1,0,0,0,1|2,0,0]=4 1047 B10R0.44 CNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183359 [0,1,0,0,0,1|2,0,0]=4 1048 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [0,1,0,0,0,1|1,0,0]=3 1049 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [0,1,0,0,0,1|1,0,0]=3 1050 B10R0.44 COC(=O)CC(C)NC(C)C 2230a_100138425928_100009817358 [0,1,0,0,0,1|1,0,1]=4 1051 B10R0.44 COC(=O)CC(C)NC(C)C 34a_100138425928_100009817358 [0,1,0,0,0,1|1,0,1]=4 1052 B10R0.44 COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747449 [0,1,0,0,0,1|2,0,0]=4 1053 B10R0.44 COC(=O)C[C@@H](C)NC(=O)C 188690a_100016994721_100015343762 [0,1,0,0,0,1|0,0,0]=2 1054 B10R0.70 CC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000210206 [0,1,0,0,0,1|1,0,1]=4 1055 B10R0.70 CC[C@H](CC(=O)O)NC(C)C 269956a_100016995926_100000210206 [0,1,0,0,0,1|1,0,1]=4 1056 B10R0.165 CC(=O)NC(C)(C)CC(=O)N 11a_100000763158_100015343762 [0,1,0,0,0,1|1,0,0]=3 1057 B10R0.165 CC(=O)NC(C)(C)CC(=O)N 1626a_100000763158_100015343762 [0,1,0,0,0,1|1,0,0]=3 1058 B10R0.165 CC(=O)NC(C)(C)CC(=O)N 240690a_100000763158_100015343762 [0,1,0,0,0,1|1,0,0]=3 1059 B10R0.165 CC(=O)NC(C)(C)CC(=O)N 527a_100000763158_100103153847 [0,1,0,0,0,1|1,0,0]=3 1060 B10R0.165 CC(C)NC(C)(C)CC(=O)O 269956a_100000755897_100000210206 [0,1,0,0,0,1|1,0,1]=4 1061 B10R0.52 CCC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100000210414 [0,2,0,0,0,0|1,0,1]=4 1062 B10R0.52 CCC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100000210414 [0,2,0,0,0,0|1,0,1]=4 1063 B10R0.52 CCC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100000210414 [0,2,0,0,0,0|1,0,1]=4 1064 B10R0.52 CCC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100000210414 [0,2,0,0,0,0|1,0,1]=4 1065 B10R0.52 CNC(=O)N[C@@H](C)C(C)(C)O 2708a_100102657272_100025708725 [0,2,0,0,0,0|1,0,1]=4 1066 B10R0.52 CNC(=O)N[C@@H](C)C(C)(C)O 273464a_100102657272_100025708725 [0,2,0,0,0,0|1,0,1]=4 1067 B10R0.52 CNC(=O)N[C@@H](C)C(C)(C)O 512a_100025708725_100102657272 [0,2,0,0,0,0|1,0,1]=4 1068 B10R0.52 CNC(=O)N[C@@H](C)C(C)(C)O 512a_106832991638_100025708725 [0,2,0,0,0,0|1,0,1]=4 1069 B10R0.52 C[C@H](NC(=O)CO)C(C)(C)O 240690a_100025708725_100000210174 [0,2,0,0,0,0|1,0,1]=4 1070 B10R0.52 C[C@H](NC(=O)CO)C(C)(C)O 527a_100025708725_100000210174 [0,2,0,0,0,0|1,0,1]=4 1071 B10R0.154 CC(C(=O)O)N(C)C(C)(C)C 269956a_100000749554_100000211941 [0,2,0,0,0,0|1,0,1]=4 1072 B10R0.47 C=CC(=O)NC(C)(C)C(=O)N 240690a_100000743658_200121576911 [0,2,0,0,0,0|1,0,1]=4 1073 B10R0.47 CC(C)(NC(=O)CO)C(=O)N 240690a_100000743658_100000210174 [0,2,0,0,0,0|1,0,0]=3 1074 B10R0.47 CC(C)(NC(=O)CO)C(=O)N 527a_100000743658_100000210174 [0,2,0,0,0,0|1,0,0]=3 1075 B10R0.47 CCC(=O)NC(C)(C)C(=O)N 11a_100000743658_100000210414 [0,2,0,0,0,0|1,0,0]=3 1076 B10R0.47 CCC(=O)NC(C)(C)C(=O)N 240690a_100000743658_100000210414 [0,2,0,0,0,0|1,0,0]=3 1077 B10R0.47 CCC(=O)NC(C)(C)C(=O)N 527a_100000743658_100000210414 [0,2,0,0,0,0|1,0,0]=3 1078 B10R0.47 CNC(=O)NC(C)(C)C(=O)N 273464a_100102657272_100000743658 [0,2,0,0,0,0|1,0,0]=3 1079 B10R0.47 CNC(=O)NC(C)(C)C(=O)N 512a_100000743658_100102657272 [0,2,0,0,0,0|1,0,0]=3 1080 B10R0.47 CNC(=O)NC(C)(C)C(=O)N 512a_106832991638_100000743658 [0,2,0,0,0,0|1,0,0]=3 1081 B10R0.47 COC(=O)CC(C)(C)C(=O)C 1458a_100000720384_200000210301 [0,2,0,0,0,0|2,0,0]=4 1082 B10R0.47 COC(=O)CC(C)(C)C(=O)[13CH3] 1458a_100000720384_200025704644 [0,2,0,0,0,0|2,0,0]=4 1083 B10R0.119 CCC(C)(NC(C)C)C(=O)O 269956a_100025756313_100000210206 [0,2,0,0,0,0|1,0,1]=4 1084 B10R0.141 CC(=O)NC(C)(C)C(=O)CF 1458a_100000750020_100015361967 [0,2,0,0,0,0|1,0,0]=3 1085 B10R0.141 CC(=O)OC(C)(C)C(=O)CF 1458a_200000137501_100015361967 [0,2,0,0,0,0|2,0,0]=4 1086 B10R0.141 CCC(=O)C(C)(C)NC(=O)C 1458a_100000750020_100000210202 [0,2,0,0,0,0|1,0,0]=3 1087 B10R0.141 CCC(=O)C(C)(C)OC(=O)C 1458a_200000137501_100000210202 [0,2,0,0,0,0|2,0,0]=4 1088 B10R0.141 CNC(=O)C(C)(C)NC(=O)C 11a_106832991635_100000750020 [0,2,0,0,0,0|1,0,0]=3 1089 B10R0.141 CNC(=O)C(C)(C)NC(=O)C 240690a_100102657272_100000750020 [0,2,0,0,0,0|1,0,0]=3 1090 B10R0.141 CNC(=O)C(C)(C)NC(=O)C 527a_100102657272_100000750020 [0,2,0,0,0,0|1,0,0]=3 1091 B10R0.141 CNC(=O)C(C)(C)OC(=O)C 1626a_100102657272_200000137501 [0,2,0,0,0,0|2,0,0]=4 1092 B10R0.141 CNC(=O)C(C)(C)OC(=O)C 240690a_100102657272_200000137501 [0,2,0,0,0,0|2,0,0]=4 1093 B10R0.141 CNC(=O)C(C)(C)OC(=O)C 527a_100102657272_200000137501 [0,2,0,0,0,0|2,0,0]=4 1094 B10R0.141 COC(=O)C(C)(C)CC(=O)C 1458a_100000106591_200000210301 [0,2,0,0,0,0|1,0,0]=3 1095 B10R0.141 COC(=O)C(C)(C)CC(=O)[13CH3] 1458a_100000106591_200025704644 [0,2,0,0,0,0|1,0,0]=3 1096 B10R0.141 COC(=O)C(C)(C)NC(=O)C 188690a_100000737553_100015343762 [0,2,0,0,0,0|0,0,0]=2 1097 B10R0.141 COC(=O)C(C)(C)NC(C)C 2230a_100138425928_100000689032 [0,2,0,0,0,0|1,0,1]=4 1098 B10R0.141 COC(=O)C(C)(F)NC(C)C 2230a_100138425928_200009867631 [0,2,0,0,0,0|1,0,1]=4 1099 B10R0.141 COC(=O)C(C)(F)NC(C)C 34a_100138425928_200009867631 [0,2,0,0,0,0|1,0,1]=4 1100 B10R0.32 C#CCC(=O)C(C)OC(=O)C 1458a_100011220946_100009818208 [0,2,0,0,0,0|2,0,0]=4 1101 B10R0.32 C#CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000184674 [0,2,0,0,0,0|1,0,0]=3 1102 B10R0.32 C#CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000184674 [0,2,0,0,0,0|2,0,0]=4 1103 B10R0.32 C=CCC(=O)C(C)OC(=O)C 1458a_100000210193_100009818208 [0,2,0,0,0,0|2,0,0]=4 1104 B10R0.32 C=CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210623 [0,2,0,0,0,0|1,0,0]=3 1105 B10R0.32 C=CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210623 [0,2,0,0,0,0|2,0,0]=4 1106 B10R0.32 CC#CC(=O)C(C)OC(=O)C 1458a_100000763181_100009818208 [0,2,0,0,0,0|2,0,0]=4 1107 B10R0.32 CC(=O)N[C@H](C)C(=O)CC#N 1458a_100011504603_100011214920 [0,2,0,0,0,0|1,0,0]=3 1108 B10R0.32 CC(=O)N[C@H](C)C(=O)CCF 1458a_100011504603_100011217306 [0,2,0,0,0,0|1,0,0]=3 1109 B10R0.32 CC(=O)N[C@H](C)C(=O)CCO 1458a_100011504603_100000211926 [0,2,0,0,0,0|0,0,0]=2 1110 B10R0.32 CC(=O)OC(C)C(=O)C=CBr 1458a_100016273825_100009818208 [0,2,0,0,0,0|2,0,0]=4 1111 B10R0.32 CC(=O)OC(C)C(=O)C=CCl 1458a_200016279998_100009818208 [0,2,0,0,0,0|2,0,0]=4 1112 B10R0.32 CC(=O)OC(C)C(=O)C=CI 1458a_100016256311_100009818208 [0,2,0,0,0,0|2,0,0]=4 1113 B10R0.32 CC(=O)OC(C)C(=O)CC#N 1458a_100051588842_100009818208 [0,2,0,0,0,0|2,0,0]=4 1114 B10R0.32 CC(=O)OC(C)C(=O)CCO 1458a_100011216618_100009818208 [0,2,0,0,0,0|1,0,0]=3 1115 B10R0.32 CC(=O)O[C@@H](C)C(=O)CC#N 1458a_100009816467_100011214920 [0,2,0,0,0,0|2,0,0]=4 1116 B10R0.32 CC(=O)O[C@@H](C)C(=O)CCF 1458a_100009816467_100011217306 [0,2,0,0,0,0|2,0,0]=4 1117 B10R0.32 CC(=O)O[C@@H](C)C(=O)CCO 1458a_100009816467_100000211926 [0,2,0,0,0,0|1,0,0]=3 1118 B10R0.32 CC=CC(=O)C(C)OC(=O)C 1458a_100000210699_100009818208 [0,2,0,0,0,0|2,0,0]=4 1119 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,2,0,0,0,0|2,0,0]=4 1120 B10R0.32 CCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210303 [0,2,0,0,0,0|1,0,0]=3 1121 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,2,0,0,0,0|2,0,0]=4 1122 B10R0.32 CCNC(=O)C(C)NC(=O)C 11a_100000736553_100015343762 [0,2,0,0,0,0|1,0,0]=3 1123 B10R0.32 CCNC(=O)C(C)NC(=O)C 1626a_100000736553_100015343762 [0,2,0,0,0,0|1,0,0]=3 1124 B10R0.32 CCNC(=O)C(C)NC(=O)C 240690a_100000736553_100015343762 [0,2,0,0,0,0|1,0,0]=3 1125 B10R0.32 CCNC(=O)C(C)NC(=O)C 527a_100000736553_100103153847 [0,2,0,0,0,0|1,0,0]=3 1126 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 11a_100015525214_100011504603 [0,2,0,0,0,0|1,0,0]=3 1127 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 240690a_100015525214_100011504603 [0,2,0,0,0,0|1,0,0]=3 1128 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 527a_100015525214_100011504603 [0,2,0,0,0,0|1,0,0]=3 1129 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 11a_100015525214_100009816467 [0,2,0,0,0,0|2,0,0]=4 1130 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 240690a_100015525214_100009816467 [0,2,0,0,0,0|2,0,0]=4 1131 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 527a_100015525214_100009816467 [0,2,0,0,0,0|2,0,0]=4 1132 B10R0.32 CCOC(=O)C(C)NC(C)C 2230a_100138425928_100011215307 [0,2,0,0,0,0|1,0,1]=4 1133 B10R0.32 CCOC(=O)C(C)NC(C)C 34a_100138425928_100011216346 [0,2,0,0,0,0|1,0,1]=4 1134 B10R0.32 CCOC(=O)[C@@H](C)NC(=O)C 188690a_100016988386_100015343762 [0,2,0,0,0,0|0,0,0]=2 1135 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 11a_100103168634_100015343762 [0,2,0,0,0,0|0,1,0]=3 1136 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 1626a_100103168634_100015343762 [0,2,0,0,0,0|0,1,0]=3 1137 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 240690a_100103168634_100015343762 [0,2,0,0,0,0|0,1,0]=3 1138 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 527a_100103168634_100103153847 [0,2,0,0,0,0|0,1,0]=3 1139 B10R0.32 CNNC(=O)[C@@H](C)NC(=O)C 22a_100016993582_100011504603 [0,2,0,0,0,0|1,0,0]=3 1140 B10R0.32 COCC(=O)C(C)OC(=O)C 1458a_100000210968_100009818208 [0,2,0,0,0,0|1,0,0]=3 1141 B10R0.32 CSCC(=O)C(C)OC(=O)C 1458a_100000184570_100009818208 [0,2,0,0,0,0|1,1,0]=4 1142 B10R0.37 CNC(=O)[C@@H](C)NS(=O)(=O)C 40a_100000684985_100000738038 [0,2,0,0,0,0|2,0,0]=4 1143 B10R0.37 COC(=O)C(C)NC(C)(C)C 2230a_100000715429_100000211248 [0,2,0,0,0,0|1,0,1]=4 1144 B10R0.46 C#CC(C)NC(C)C(=O)OC 2230a_100000707721_100000211248 [0,2,0,0,0,0|1,0,1]=4 1145 B10R0.46 C#CC(C)NC(C)C(=O)OC 34a_100000707721_100000211248 [0,2,0,0,0,0|1,0,1]=4 1146 B10R0.46 C=CC(=O)N[C@H](C)C(=O)NC 240690a_100000684985_200121576911 [0,2,0,0,0,0|1,0,1]=4 1147 B10R0.46 CCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210202 [0,2,0,0,0,0|2,0,0]=4 1148 B10R0.46 CCC(=O)NC(C)C(=O)CC 1458a_100000194823_100000210202 [0,2,0,0,0,0|1,0,0]=3 1149 B10R0.46 CCC(=O)NC(C)C(=O)CF 1458a_100000194823_100015361967 [0,2,0,0,0,0|1,0,0]=3 1150 B10R0.46 CCC(=O)NC(C)C(=O)NC 11a_106832991635_100000194823 [0,2,0,0,0,0|1,0,0]=3 1151 B10R0.46 CCC(=O)NC(C)C(=O)NC 1626a_100102657272_100000194823 [0,2,0,0,0,0|1,0,0]=3 1152 B10R0.46 CCC(=O)NC(C)C(=O)NC 240690a_100102657272_100000194823 [0,2,0,0,0,0|1,0,0]=3 1153 B10R0.46 CCC(=O)NC(C)C(=O)NC 527a_100102657272_100000194823 [0,2,0,0,0,0|1,0,0]=3 1154 B10R0.46 CCC(=O)N[C@H](C)C(=O)NC 11a_100000684985_100000210414 [0,2,0,0,0,0|1,0,0]=3 1155 B10R0.46 CCC(=O)N[C@H](C)C(=O)NC 240690a_100000684985_100000210414 [0,2,0,0,0,0|1,0,0]=3 1156 B10R0.46 CCC(=O)N[C@H](C)C(=O)NC 527a_100000684985_100000210414 [0,2,0,0,0,0|1,0,0]=3 1157 B10R0.46 CCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000210414 [0,2,0,0,0,0|0,0,0]=2 1158 B10R0.46 CCC(C)NC(C)C(=O)OC 2230a_100000209981_100000211248 [0,2,0,0,0,0|1,0,1]=4 1159 B10R0.46 CNC(=O)C(C)CC(=O)OC 1626a_100102657272_100000037256 [0,2,0,0,0,0|2,0,0]=4 1160 B10R0.46 CNC(=O)C(C)CC(=O)OC 240690a_100102657272_100000037256 [0,2,0,0,0,0|2,0,0]=4 1161 B10R0.46 CNC(=O)C(C)CC(=O)OC 527a_100102657272_100000037256 [0,2,0,0,0,0|2,0,0]=4 1162 B10R0.46 CNC(=O)CN(C)C(=O)CO 240690a_100000189611_100000210174 [0,2,0,0,0,0|2,0,0]=4 1163 B10R0.46 CNC(=O)CN(C)C(=O)CO 527a_100000189611_100000210174 [0,2,0,0,0,0|2,0,0]=4 1164 B10R0.46 CNC(=O)N[C@H](C)C(=O)NC 2708a_100102657272_100000684985 [0,2,0,0,0,0|1,0,0]=3 1165 B10R0.46 CNC(=O)N[C@H](C)C(=O)NC 273464a_100000684985_100102657272 [0,2,0,0,0,0|1,0,0]=3 1166 B10R0.46 CNC(=O)N[C@H](C)C(=O)NC 512a_100000684985_100102657272 [0,2,0,0,0,0|1,0,0]=3 1167 B10R0.46 CNC(=O)N[C@H](C)C(=O)NC 512a_106832991638_100000684985 [0,2,0,0,0,0|1,0,0]=3 1168 B10R0.46 CNC(=O)[C@@H](C)NC(=O)CO 240690a_100000684985_100000210174 [0,2,0,0,0,0|1,0,0]=3 1169 B10R0.46 CNC(=O)[C@@H](C)NC(=O)CO 527a_100000684985_100000210174 [0,2,0,0,0,0|1,0,0]=3 1170 B10R0.46 COC(=O)C(C)NC(C)C#N 2230a_100000737613_100000211248 [0,2,0,0,0,0|1,0,1]=4 1171 B10R0.46 COC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100000211248 [0,2,0,0,0,0|0,0,2]=4 1172 B10R0.46 COC(=O)CC(C)C(=O)CF 1458a_100000037256_100015361967 [0,2,0,0,0,0|2,0,0]=4 1173 B10R0.46 COC(=O)CN(C)C(=O)CO 240690a_100000198492_100000210174 [0,2,0,0,0,0|2,0,0]=4 1174 B10R0.46 COC(=O)CN(C)C(=O)CO 527a_100000198492_100000210174 [0,2,0,0,0,0|2,0,0]=4 1175 B10R0.46 COC(=O)[C@@H](C)NC(=O)CO 188690a_100000687819_100000210174 [0,2,0,0,0,0|0,0,0]=2 1176 B10R0.54 CC(=O)NC(CO)C(=O)CF 1458a_200011194110_100015361967 [0,2,0,0,0,0|1,0,0]=3 1177 B10R0.54 CCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210202 [0,2,0,0,0,0|1,0,0]=3 1178 B10R0.54 CCC(=O)C(CC)NC(=O)N 1458a_100000203762_100000210202 [0,2,0,0,0,0|2,0,0]=4 1179 B10R0.54 CCC(=O)C(CO)NC(=O)C 1458a_200011194110_100000210202 [0,2,0,0,0,0|1,0,0]=3 1180 B10R0.54 CCC(NC(=O)C)C(=O)CF 1458a_100000195128_100015361967 [0,2,0,0,0,0|1,0,0]=3 1181 B10R0.54 CCC(NC(=O)C)C(=O)NC 11a_106832991635_100000195128 [0,2,0,0,0,0|1,0,0]=3 1182 B10R0.54 CCC(NC(=O)C)C(=O)NC 1626a_100102657272_100000195128 [0,2,0,0,0,0|1,0,0]=3 1183 B10R0.54 CCC(NC(=O)C)C(=O)NC 240690a_100102657272_100000195128 [0,2,0,0,0,0|1,0,0]=3 1184 B10R0.54 CCC(NC(=O)C)C(=O)NC 527a_100102657272_100000195128 [0,2,0,0,0,0|1,0,0]=3 1185 B10R0.54 CCC(NC(=O)N)C(=O)CF 1458a_100000203762_100015361967 [0,2,0,0,0,0|2,0,0]=4 1186 B10R0.54 CCC(NC(=O)N)C(=O)NC 240690a_100102657272_100000203762 [0,2,0,0,0,0|2,0,0]=4 1187 B10R0.54 CCC(NC(C)C)C(=O)OC 2230a_100138425928_100000235869 [0,2,0,0,0,0|1,0,1]=4 1188 B10R0.54 CCC(NC(C)C)C(=O)OC 34a_100138425928_100000235869 [0,2,0,0,0,0|1,0,1]=4 1189 B10R0.54 CC[C@@H](NC(=O)C)C(=O)OC 188690a_100020627782_100015343762 [0,2,0,0,0,0|0,0,0]=2 1190 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 11a_106657271573_100015343762 [0,2,0,0,0,0|1,0,0]=3 1191 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 1626a_106657271573_100015343762 [0,2,0,0,0,0|1,0,0]=3 1192 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 240690a_106657271573_100015343762 [0,2,0,0,0,0|1,0,0]=3 1193 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 527a_106657271573_100103153847 [0,2,0,0,0,0|1,0,0]=3 1194 B10R0.54 CNC(=O)C(CO)NC(=O)C 240690a_100102657272_200011194110 [0,2,0,0,0,0|1,0,0]=3 1195 B10R0.54 COC(=O)C(CO)NC(C)C 34a_100138425928_100012276630 [0,2,0,0,0,0|1,0,1]=4 1196 B10R0.54 COC(=O)C(NC(C)C)OC 34a_100138425928_100000101307 [0,2,0,0,0,0|1,0,1]=4 1197 B10R0.54 COC(=O)[C@@H](CO)NC(=O)C 188690a_100000003586_100015343762 [0,2,0,0,0,0|0,0,0]=2 1198 B10R0.56 C#CC(C)N(C)C(C)C(=O)O 269956a_100000749554_200000035995 [0,2,0,0,0,0|1,0,1]=4 1199 B10R0.56 C=C(C)C(=O)C(C)C(=O)OC 1458a_100000185857_100000211248 [0,2,0,0,0,0|2,0,0]=4 1200 B10R0.56 C=CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100011215867 [0,2,0,0,0,0|1,0,1]=4 1201 B10R0.56 CC(C#N)N(C)C(C)C(=O)O 269956a_100000749554_100000184139 [0,2,0,0,0,0|1,0,1]=4 1202 B10R0.56 CC(C(=O)O)N(C)[C@H](C)CO 269956a_100000749554_100016084084 [0,2,0,0,0,0|0,0,2]=4 1203 B10R0.56 CCC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000758301 [0,2,0,0,0,0|1,0,1]=4 1204 B10R0.56 CNC(=O)C(=O)C(C)C(=O)C 1458a_100011218921_100000179758 [0,2,0,0,0,0|2,0,0]=4 1205 B10R0.56 CNC(=O)C(=O)C(C)C(=O)N 1458a_100011218921_100000702099 [0,2,0,0,0,0|2,0,0]=4 1206 B10R0.56 COC(=O)C(C)N(C)C(=O)C 11a_100000725243_100015343762 [0,2,0,0,0,0|0,0,0]=2 1207 B10R0.56 COC(=O)C(C)N(C)C(=O)C 240690a_100000725243_100015343762 [0,2,0,0,0,0|0,0,0]=2 1208 B10R0.56 COC(=O)C(C)N(C)C(=O)C 527a_100000725243_100103153847 [0,2,0,0,0,0|0,0,0]=2 1209 B10R0.56 COC(=O)C(C)N(C)C(C)C 2230a_100000725243_100000210206 [0,2,0,0,0,0|1,0,1]=4 1210 B10R0.56 COC(=O)C(C)N(C)C(C)C 269982a_100000725243_100000210206 [0,2,0,0,0,0|1,0,1]=4 1211 B10R0.56 COC(=O)C(C)N(C)C(C)C 269982a_200000211004_100000211248 [0,2,0,0,0,0|1,0,1]=4 1212 B10R0.56 COC(=O)N(C)[C@H](C)C(=O)C 1458a_200021015837_200000210301 [0,2,0,0,0,0|1,0,0]=3 1213 B10R0.56 COC(=O)N(C)[C@H](C)C(=O)[13CH3] 1458a_200021015837_200025704644 [0,2,0,0,0,0|1,0,0]=3 1214 B10R0.56 COC(C)N(C)C(C)C(=O)O 269956a_100000749554_100009879195 [0,2,0,0,0,0|0,0,2]=4 1215 B10R0.23 C=CCC(NC(=O)C)C(=O)C 1458a_100000741017_200000210301 [0,2,0,0,0,0|1,0,0]=3 1216 B10R0.23 C=CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000741017_200025704644 [0,2,0,0,0,0|1,0,0]=3 1217 B10R0.23 CCC[C@H](NC(=O)C)C(=O)C 1458a_100011995990_200000210301 [0,2,0,0,0,0|1,0,0]=3 1218 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 11a_100000729256_100015343762 [0,2,0,0,0,0|1,0,0]=3 1219 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 1626a_100000729256_100015343762 [0,2,0,0,0,0|1,0,0]=3 1220 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 240690a_100000729256_100015343762 [0,2,0,0,0,0|1,0,0]=3 1221 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 527a_100000729256_100103153847 [0,2,0,0,0,0|1,0,0]=3 1222 B10R0.23 CCC[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100011995990_200025704644 [0,2,0,0,0,0|1,0,0]=3 1223 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [0,2,0,0,0,0|1,0,1]=4 1224 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [0,2,0,0,0,0|2,0,0]=4 1225 B10R0.23 COCC(NC(=O)C)C(=O)C 1458a_200012277492_200000210301 [0,2,0,0,0,0|1,0,0]=3 1226 B10R0.23 COCC(NC(=O)C)C(=O)[13CH3] 1458a_200012277492_200025704644 [0,2,0,0,0,0|1,0,0]=3 1227 B10R0.23 COC[C@@H](NC(C)C)C(=O)O 269956a_100011998655_100000210206 [0,2,0,0,0,0|1,0,1]=4 1228 B10R0.23 CS(=O)C[C@H](NCF)C(=O)O 269956a_100009817418_100015361967 [0,2,0,0,0,0|2,0,0]=4 1229 B10R0.23 CSC[C@H](NC(C)C)C(=O)O 269956a_100011421858_100000210206 [0,2,0,0,0,0|1,0,1]=4 1230 B10R0.23 C[Se]C[C@H](NC(C)C)C(=O)O 269956a_100015254316_100000210206 [0,2,0,0,0,0|1,0,1]=4 1231 B10R0.53 C#CC(C)NC(CO)C(=O)O 269956a_100000187304_200000035995 [0,2,0,0,0,0|1,0,1]=4 1232 B10R0.53 C#CC(C)N[C@H](CC)C(=O)O 269956a_100000747097_200000035995 [0,2,0,0,0,0|1,0,1]=4 1233 B10R0.53 C=CC(=O)NC(CC)C(=O)N 1626a_100000733705_100000185746 [0,2,0,0,0,0|1,0,1]=4 1234 B10R0.53 C=CC(=O)NC(CC)C(=O)N 240690a_100000733705_200121576911 [0,2,0,0,0,0|1,0,1]=4 1235 B10R0.53 C=CC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_200121576911 [0,2,0,0,0,0|1,0,1]=4 1236 B10R0.53 C=CC(C)NC(CO)C(=O)O 269956a_100000187304_100011215867 [0,2,0,0,0,0|1,0,1]=4 1237 B10R0.53 C=CC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100011215867 [0,2,0,0,0,0|1,0,1]=4 1238 B10R0.53 CC(C#N)NC(CO)C(=O)O 269956a_100000187304_100000184139 [0,2,0,0,0,0|1,0,1]=4 1239 B10R0.53 CCC(=O)NC(C#N)C(=O)N 1626a_100000039599_100000210414 [0,2,0,0,0,0|1,0,1]=4 1240 B10R0.53 CCC(=O)NC(CC)C(=O)N 11a_100000733705_100000210414 [0,2,0,0,0,0|1,0,0]=3 1241 B10R0.53 CCC(=O)NC(CC)C(=O)N 1626a_100000733705_100000210414 [0,2,0,0,0,0|1,0,0]=3 1242 B10R0.53 CCC(=O)NC(CC)C(=O)N 240690a_100000733705_100000210414 [0,2,0,0,0,0|1,0,0]=3 1243 B10R0.53 CCC(=O)NC(CC)C(=O)N 527a_100000733705_100000210414 [0,2,0,0,0,0|1,0,0]=3 1244 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O 11a_100161114882_100000210414 [0,2,0,0,0,0|1,0,1]=4 1245 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O 1626a_100161114882_100000210414 [0,2,0,0,0,0|1,0,1]=4 1246 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O 240690a_100161114882_100000210414 [0,2,0,0,0,0|1,0,1]=4 1247 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O 527a_100161114882_100000210414 [0,2,0,0,0,0|1,0,1]=4 1248 B10R0.53 CCC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100000210414 [0,2,0,0,0,0|1,0,0]=3 1249 B10R0.53 CCC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100000210414 [0,2,0,0,0,0|1,0,1]=4 1250 B10R0.53 CCC(=O)N[C@H](CO)[C@@H](C)O 527a_100015196842_100000210414 [0,2,0,0,0,0|1,0,1]=4 1251 B10R0.53 CCC(C)NC(CO)C(=O)O 269956a_100000187304_100000758301 [0,2,0,0,0,0|1,0,1]=4 1252 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [0,2,0,0,0,0|1,0,1]=4 1253 B10R0.53 CCC(NC(=O)CO)C(=O)N 240690a_100000733705_100000210174 [0,2,0,0,0,0|1,0,0]=3 1254 B10R0.53 CCC(NC(=O)CO)C(=O)N 527a_100000733705_100000210174 [0,2,0,0,0,0|1,0,0]=3 1255 B10R0.53 CCC(NC(=O)NC)C(=O)N 2708a_100102657272_100000733705 [0,2,0,0,0,0|1,0,0]=3 1256 B10R0.53 CCC(NC(=O)NC)C(=O)N 273464a_100000733705_100102657272 [0,2,0,0,0,0|1,0,0]=3 1257 B10R0.53 CCC(NC(=O)NC)C(=O)N 273464a_100102657272_100000733705 [0,2,0,0,0,0|1,0,0]=3 1258 B10R0.53 CCC(NC(=O)NC)C(=O)N 512a_100000733705_100102657272 [0,2,0,0,0,0|1,0,0]=3 1259 B10R0.53 CC[C@@H](NC(C)C#N)C(=O)O 269956a_100000747097_100000184139 [0,2,0,0,0,0|1,0,1]=4 1260 B10R0.53 CC[C@@H](NC(C)OC)C(=O)O 269956a_100000747097_100009879195 [0,2,0,0,0,0|0,0,2]=4 1261 B10R0.53 CC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100000747097_100016084084 [0,2,0,0,0,0|0,0,2]=4 1262 B10R0.53 CC[C@H](NC(=O)CO)[C@@H](C)O 240690a_100161114882_100000210174 [0,2,0,0,0,0|1,0,1]=4 1263 B10R0.53 CC[C@H](NC(=O)CO)[C@@H](C)O 527a_100161114882_100000210174 [0,2,0,0,0,0|1,0,1]=4 1264 B10R0.53 CC[C@H](NC(=O)NC)[C@@H](C)O 2708a_100102657272_100161114882 [0,2,0,0,0,0|1,0,1]=4 1265 B10R0.53 CC[C@H](NC(=O)NC)[C@@H](C)O 512a_100161114882_100102657272 [0,2,0,0,0,0|1,0,1]=4 1266 B10R0.53 CC[C@H](NC(=O)NC)[C@@H](C)O 512a_106832991638_100161114882 [0,2,0,0,0,0|1,0,1]=4 1267 B10R0.53 CNC(=O)NC(C#N)C(=O)N 273464a_100000039599_100102657272 [0,2,0,0,0,0|1,0,1]=4 1268 B10R0.53 CNC(=O)NC(C#N)C(=O)N 273464a_100102657272_100000039599 [0,2,0,0,0,0|1,0,1]=4 1269 B10R0.53 CNC(=O)NC(C#N)C(=O)N 512a_106832991638_100000039599 [0,2,0,0,0,0|1,0,1]=4 1270 B10R0.53 CNC(=O)N[C@@H](CO)C(=O)N 273464a_100000729942_100102657272 [0,2,0,0,0,0|1,0,0]=3 1271 B10R0.53 CNC(=O)N[C@@H](CO)C(=O)N 273464a_100102657272_100000729942 [0,2,0,0,0,0|1,0,0]=3 1272 B10R0.53 CNC(=O)N[C@H](CO)[C@@H](C)O 2708a_100102657272_100015196842 [0,2,0,0,0,0|1,0,1]=4 1273 B10R0.53 CNC(=O)N[C@H](CO)[C@@H](C)O 512a_100015196842_100102657272 [0,2,0,0,0,0|1,0,1]=4 1274 B10R0.53 CNC(=O)N[C@H](CO)[C@@H](C)O 512a_106832991638_100015196842 [0,2,0,0,0,0|1,0,1]=4 1275 B10R0.53 COC(C)NC(CO)C(=O)O 269956a_100000187304_100009879195 [0,2,0,0,0,0|0,0,2]=4 1276 B10R0.53 C[C@@H](O)[C@@H](CO)NC(=O)CO 240690a_100015196842_100000210174 [0,2,0,0,0,0|1,0,1]=4 1277 B10R0.53 C[C@@H](O)[C@@H](CO)NC(=O)CO 527a_100015196842_100000210174 [0,2,0,0,0,0|1,0,1]=4 1278 B10R0.53 C[C@H](CO)NC(CO)C(=O)O 269956a_100000187304_100016084084 [0,2,0,0,0,0|0,0,2]=4 1279 B10R0.53 NC(=O)[C@H](CO)NC(=O)CO 240690a_100000729942_100000210174 [0,2,0,0,0,0|1,0,0]=3 1280 B10R0.76 CC(C)N(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210206 [0,2,0,0,0,0|1,0,1]=4 1281 B10R0.76 CCN(C(=O)C)C(C)C(=O)N 11a_100020603310_100015343762 [0,2,0,0,0,0|1,0,0]=3 1282 B10R0.76 CCN(C(=O)C)C(C)C(=O)N 1626a_100020603310_100015343762 [0,2,0,0,0,0|1,0,0]=3 1283 B10R0.76 CCN(C(=O)C)C(C)C(=O)N 240690a_100020603310_100015343762 [0,2,0,0,0,0|1,0,0]=3 1284 B10R0.76 CCN(C(=O)C)C(C)C(=O)N 527a_100020603310_100103153847 [0,2,0,0,0,0|1,0,0]=3 1285 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 11a_103436537554_100015343762 [0,2,0,0,0,0|1,0,0]=3 1286 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 1626a_103436537554_100015343762 [0,2,0,0,0,0|1,0,0]=3 1287 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 240690a_103436537554_100015343762 [0,2,0,0,0,0|1,0,0]=3 1288 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 527a_103436537554_100103153847 [0,2,0,0,0,0|1,0,0]=3 1289 B10R0.95 CC(C)(C)NC(CO)C(=O)O 269956a_100000187304_100000211941 [0,2,0,0,0,0|1,0,1]=4 1290 B10R0.95 CCC(NS(=O)(=O)C)C(=O)N 40a_100000733705_100000738038 [0,2,0,0,0,0|2,0,0]=4 1291 B10R0.95 CC[C@@H](NC(C)(C)C)C(=O)O 269956a_100000747097_100000211941 [0,2,0,0,0,0|1,0,1]=4 1292 B10R0.95 CS(=O)(=O)N[C@@H](CO)C(=O)N 40a_100000729942_100000738038 [0,2,0,0,0,0|2,0,0]=4 1293 B10R0.162 CC(=O)NC(C(=O)N)C(=O)N 11a_100000025885_100015343762 [0,2,0,0,0,0|1,0,1]=4 1294 B10R0.162 CC(=O)NC(C(=O)N)C(=O)N 1626a_100000025885_100015343762 [0,2,0,0,0,0|1,0,1]=4 1295 B10R0.162 CC(=O)NC(C(=O)N)C(=O)N 240690a_100000025885_100015343762 [0,2,0,0,0,0|1,0,1]=4 1296 B10R0.162 CC(=O)NC(C(=O)N)C(=O)N 527a_100000025885_100103153847 [0,2,0,0,0,0|1,0,1]=4 1297 B10R0.162 CC(=O)N[C@H](C(=O)C)C(C)C 1458a_100011416799_200000210301 [0,2,0,0,0,0|1,0,0]=3 1298 B10R0.162 CC(=O)N[C@H](C(=O)C)[C@@H](C)O 1458a_100012017110_200000210301 [0,2,0,0,0,0|1,0,0]=3 1299 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 11a_100000119348_100015343762 [0,2,0,0,0,0|1,0,0]=3 1300 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 1626a_100000119348_100015343762 [0,2,0,0,0,0|1,0,0]=3 1301 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 240690a_100000119348_100015343762 [0,2,0,0,0,0|1,0,0]=3 1302 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 527a_100000119348_100103153847 [0,2,0,0,0,0|1,0,0]=3 1303 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 11a_100000003557_100015343762 [0,2,0,0,0,0|1,0,0]=3 1304 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 240690a_100000003557_100015343762 [0,2,0,0,0,0|1,0,0]=3 1305 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 527a_100000003557_100103153847 [0,2,0,0,0,0|1,0,0]=3 1306 B10R0.162 CC(=O)N[C@H](C(=O)[13CH3])C(C)C 1458a_100011416799_200025704644 [0,2,0,0,0,0|1,0,0]=3 1307 B10R0.162 CC(=O)N[C@H](C(=O)[13CH3])[C@@H](C)O 1458a_100012017110_200025704644 [0,2,0,0,0,0|1,0,0]=3 1308 B10R0.162 CC(=O)O[C@@H](C(=O)C)C(C)C 1458a_100016231877_200000210301 [0,2,0,0,0,0|2,0,0]=4 1309 B10R0.162 CC(=O)O[C@@H](C(=O)[13CH3])C(C)C 1458a_100016231877_200025704644 [0,2,0,0,0,0|2,0,0]=4 1310 B10R0.162 CC(C)NC(C(=O)O)C(C)O 269956a_100000185852_100000210206 [0,2,0,0,0,0|1,0,1]=4 1311 B10R0.162 CC(C)N[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210206 [0,2,0,0,0,0|1,0,1]=4 1312 B10R0.26 C#CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100011220946 [0,2,0,0,0,0|1,0,0]=3 1313 B10R0.26 C=CCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210193 [0,2,0,0,0,0|1,0,0]=3 1314 B10R0.26 C=CCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210193 [0,2,0,0,0,0|1,0,0]=3 1315 B10R0.26 C=CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210193 [0,2,0,0,0,0|1,0,0]=3 1316 B10R0.26 CC(CC#N)N[C@@H](C)C(=O)O 269956a_100000743915_100009813641 [0,2,0,0,0,0|1,0,1]=4 1317 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,2,0,0,0,0|0,0,2]=4 1318 B10R0.26 CC=CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210699 [0,2,0,0,0,0|1,0,0]=3 1319 B10R0.26 CC=CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210699 [0,2,0,0,0,0|1,0,0]=3 1320 B10R0.26 CCCC(=O)NC(C)C(=O)C 1458a_100000205598_200000210301 [0,2,0,0,0,0|1,0,0]=3 1321 B10R0.26 CCCC(=O)NC(C)C(=O)[13CH3] 1458a_100000205598_200025704644 [0,2,0,0,0,0|1,0,0]=3 1322 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000211992 [0,2,0,0,0,0|1,0,0]=3 1323 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000211992 [0,2,0,0,0,0|1,0,0]=3 1324 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000211992 [0,2,0,0,0,0|1,0,0]=3 1325 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,2,0,0,0,0|1,0,1]=4 1326 B10R0.26 CCNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100015525214 [0,2,0,0,0,0|1,0,0]=3 1327 B10R0.26 CCNC(=O)N[C@H](C)C(=O)N 273464a_100015525214_100000119354 [0,2,0,0,0,0|1,0,0]=3 1328 B10R0.26 CCNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100015525214 [0,2,0,0,0,0|1,0,0]=3 1329 B10R0.26 CCNC(=O)N[C@H](C)C(=O)N 512a_100015525214_100000119354 [0,2,0,0,0,0|1,0,0]=3 1330 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,2,0,0,0,0|2,0,0]=4 1331 B10R0.26 CNCC(=O)N[C@@H](C)C(=O)O 269956a_100011417567_200000210301 [0,2,0,0,0,0|0,0,0]=2 1332 B10R0.26 CNNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100016993582 [0,2,0,0,0,0|1,0,0]=3 1333 B10R0.26 CNNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100016993582 [0,2,0,0,0,0|1,0,0]=3 1334 B10R0.26 CNNC(=O)N[C@H](C)C(=O)N 512a_100016993582_100000119354 [0,2,0,0,0,0|1,0,0]=3 1335 B10R0.26 COCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210968 [0,2,0,0,0,0|1,0,0]=3 1336 B10R0.26 COCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210968 [0,2,0,0,0,0|1,0,0]=3 1337 B10R0.26 COCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210968 [0,2,0,0,0,0|1,0,0]=3 1338 B10R0.26 COCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000765312 [0,2,0,0,0,0|0,0,2]=4 1339 B10R0.26 CSCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000184570 [0,2,0,0,0,0|1,0,0]=3 1340 B10R0.26 CSCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000184570 [0,2,0,0,0,0|1,0,0]=3 1341 B10R0.26 CSCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000184570 [0,2,0,0,0,0|1,0,0]=3 1342 B10R0.26 C[C@@H](NC(=O)C=CBr)C(=O)N 240690a_100000119354_100016273825 [0,2,0,0,0,0|1,0,1]=4 1343 B10R0.26 C[C@@H](NC(=O)C=CCl)C(=O)N 11a_100000119354_200016279998 [0,2,0,0,0,0|1,0,1]=4 1344 B10R0.26 C[C@@H](NC(=O)C=CCl)C(=O)N 240690a_100000119354_200016279998 [0,2,0,0,0,0|1,0,1]=4 1345 B10R0.26 C[C@@H](NC(=O)CC#N)C(=O)N 240690a_100000119354_100051588842 [0,2,0,0,0,0|1,0,0]=3 1346 B10R0.26 C[C@@H](NC(=O)CCO)C(=O)N 240690a_100000119354_100011216618 [0,2,0,0,0,0|1,0,0]=3 1347 B10R0.26 C[C@H](NC(=O)CN[13CH3])C(=O)O 269956a_100011417567_200025704644 [0,2,0,0,0,0|0,0,0]=2 1348 B10R0.67 C#CC(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000038118 [0,2,0,0,0,0|1,0,1]=4 1349 B10R0.67 CCC(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000032637 [0,2,0,0,0,0|1,0,1]=4 1350 B10R0.67 CCS(=O)(=O)N[C@H](C)C(=O)N 270084a_100000119354_100000211323 [0,2,0,0,0,0|2,0,0]=4 1351 B10R0.67 CCS(=O)(=O)N[C@H](C)C(=O)N 274078a_100000119354_100000211323 [0,2,0,0,0,0|2,0,0]=4 1352 B10R0.67 CCS(=O)(=O)N[C@H](C)C(=O)N 40a_100000119354_100000053943 [0,2,0,0,0,0|2,0,0]=4 1353 B10R0.67 C[C@@H](NS(=O)(=O)CCl)C(=O)N 270084a_100000119354_100000031410 [0,2,0,0,0,0|2,0,0]=4 1354 B10R0.67 C[C@@H](NS(=O)(=O)CCl)C(=O)N 274078a_100000119354_100000031410 [0,2,0,0,0,0|2,0,0]=4 1355 B10R0.67 C[C@H](NC(F)(F)CO)C(=O)O 269956a_100000743915_100011217949 [0,2,0,0,0,0|1,0,1]=4 1356 B10R0.72 CCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_100000210505 [0,2,0,0,0,0|1,0,1]=4 1357 B10R0.72 C[C@H](NC(C=O)C=O)C(=O)O 269956a_100000743915_100011218033 [0,2,0,0,0,0|0,0,2]=4 1358 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [1,0,0,1,0,0|1,0,1]=4 1359 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [1,0,0,1,0,0|1,0,1]=4 1360 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [1,0,0,1,0,0|1,0,1]=4 1361 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [1,0,0,1,0,0|1,0,1]=4 1362 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [1,0,0,1,0,0|1,0,1]=4 1363 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [1,0,0,1,0,0|1,0,1]=4 1364 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|1,0,1]=4 1365 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|1,0,1]=4 1366 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|1,0,1]=4 1367 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|1,0,1]=4 1368 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|1,0,1]=4 1369 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|1,0,1]=4 1370 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|1,0,1]=4 1371 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|1,0,1]=4 1372 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|1,0,1]=4 1373 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [1,0,0,1,0,0|0,0,1]=3 1374 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [1,0,0,1,0,0|0,0,1]=3 1375 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [1,0,0,1,0,0|0,0,1]=3 1376 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [1,0,0,1,0,0|0,0,1]=3 1377 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [1,0,0,1,0,0|0,1,1]=4 1378 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [1,0,0,1,0,0|0,1,1]=4 1379 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [1,0,0,1,0,0|0,1,1]=4 1380 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [1,0,0,1,0,0|0,1,1]=4 1381 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|1,0,1]=4 1382 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [1,0,0,1,0,0|1,0,1]=4 1383 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [1,0,0,1,0,0|1,0,1]=4 1384 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [1,0,0,1,0,0|1,0,1]=4 1385 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [1,0,0,1,0,0|1,0,1]=4 1386 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [1,0,0,1,0,0|1,0,1]=4 1387 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [1,0,0,1,0,0|1,0,0]=3 1388 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [1,0,0,1,0,0|1,0,0]=3 1389 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|1,0,1]=4 1390 B10R1.13 CC(=O)C1=NNC(=O)CC1 1458a_100000183032_200000210301 [0,0,0,1,0,1|1,0,1]=4 1391 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,0,0,1,0,1|1,0,0]=3 1392 B10R1.13 [13CH3]C(=O)C1=NNC(=O)CC1 1458a_100000183032_200025704644 [0,0,0,1,0,1|1,0,1]=4 1393 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,0,0,1,0,1|1,0,0]=3 1394 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100015343762 [0,0,0,1,0,1|1,0,1]=4 1395 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100015343762 [0,0,0,1,0,1|1,0,1]=4 1396 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100103153847 [0,0,0,1,0,1|1,0,1]=4 1397 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,0,0,1,0,1|2,0,0]=4 1398 B10R1.117 CC(=O)COC1CCC1=O 34a_100000211253_100009892977 [0,0,0,1,0,1|2,0,0]=4 1399 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [0,0,0,1,0,1|2,0,0]=4 1400 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,0,0,1,0,1|1,0,1]=4 1401 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,0,0,1,0,1|1,0,1]=4 1402 B10R1.205 C[C@H](NCC1CO1)C(=O)O 269956a_100000743915_102125554688 [0,0,0,1,0,1|0,0,2]=4 1403 B10R1.205 C[C@H](NCC1CS1)C(=O)O 269956a_100000743915_100000031435 [0,0,0,1,0,1|0,1,1]=4 1404 B10R1.205 C[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000743915_100000745022 [0,0,0,1,0,1|0,0,2]=4 1405 B10R1.349 CC(=O)C1CN(C1)C(=O)C 1458a_100000754717_200000210301 [0,0,0,1,0,1|1,0,0]=3 1406 B10R1.349 CC(=O)N1CC(C1)C(=O)N 240690a_100025753142_100015343762 [0,0,0,1,0,1|1,0,0]=3 1407 B10R1.349 CC(=O)N1CC(C1)C(=O)N 527a_100025753142_100103153847 [0,0,0,1,0,1|1,0,0]=3 1408 B10R1.349 CC(=O)N1CC(C1)C(=O)[13CH3] 1458a_100000754717_200025704644 [0,0,0,1,0,1|1,0,0]=3 1409 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,0,0,1,0,1|1,0,0]=3 1410 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,0,0,1,0,1|2,0,0]=4 1411 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,0,0,1,0,1|1,0,0]=3 1412 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,0,0,1,0,1|1,0,0]=3 1413 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [0,0,0,1,0,1|1,0,0]=3 1414 B10R1.54 CC(=O)NC1CNC(=O)C1 11a_100000697751_100015343762 [0,0,0,1,0,1|1,0,0]=3 1415 B10R1.54 CC(=O)NC1CNC(=O)C1 1626a_100000697751_100015343762 [0,0,0,1,0,1|1,0,0]=3 1416 B10R1.54 CC(=O)NC1CNC(=O)C1 240690a_100000697751_100015343762 [0,0,0,1,0,1|1,0,0]=3 1417 B10R1.54 CC(=O)NC1CNC(=O)C1 527a_100000697751_100103153847 [0,0,0,1,0,1|1,0,0]=3 1418 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [0,0,0,1,0,1|1,0,1]=4 1419 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [0,0,0,1,0,1|1,0,1]=4 1420 B10R1.54 CC(C)NC1COC(=O)O1 34a_100138425928_100000032252 [0,0,0,1,0,1|1,0,1]=4 1421 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,0,0,1,0,1|1,0,0]=3 1422 B10R1.371 CC(=O)NC1CS(=O)(=O)C1 11a_100000695474_100015343762 [0,0,0,1,0,1|1,0,1]=4 1423 B10R1.371 CC(=O)NC1CS(=O)(=O)C1 1626a_100000695474_100015343762 [0,0,0,1,0,1|1,0,1]=4 1424 B10R1.371 CC(=O)NC1CS(=O)(=O)C1 240690a_100000695474_100015343762 [0,0,0,1,0,1|1,0,1]=4 1425 B10R1.371 CC(=O)NC1CS(=O)(=O)C1 527a_100000695474_100103153847 [0,0,0,1,0,1|1,0,1]=4 1426 B10R1.371 CC(=O)N[C@H]1C[C@@](C1)(C)O 11a_100121572536_100015343762 [0,0,0,1,0,1|1,0,1]=4 1427 B10R1.371 CC(=O)N[C@H]1C[C@@](C1)(C)O 1626a_100121572536_100015343762 [0,0,0,1,0,1|1,0,1]=4 1428 B10R1.371 CC(=O)N[C@H]1C[C@@](C1)(C)O 240690a_100121572536_100015343762 [0,0,0,1,0,1|1,0,1]=4 1429 B10R1.371 CC(=O)N[C@H]1C[C@@](C1)(C)O 527a_100121572536_100103153847 [0,0,0,1,0,1|1,0,1]=4 1430 B10R1.442 CC(=O)NC1(CC1)C(=O)C 1458a_100012027092_200000210301 [0,1,0,1,0,0|1,0,0]=3 1431 B10R1.442 CC(=O)NC1(CC1)C(=O)N 11a_100000687655_100015343762 [0,1,0,1,0,0|1,0,0]=3 1432 B10R1.442 CC(=O)NC1(CC1)C(=O)N 240690a_100000687655_100015343762 [0,1,0,1,0,0|1,0,0]=3 1433 B10R1.442 CC(=O)NC1(CC1)C(=O)N 527a_100000687655_100103153847 [0,1,0,1,0,0|1,0,0]=3 1434 B10R1.442 CC(=O)NC1(CC1)C(=O)[13CH3] 1458a_100012027092_200025704644 [0,1,0,1,0,0|1,0,0]=3 1435 B10R1.442 CC(C)NC1(CC1)C(=O)O 269956a_100000746478_100000210206 [0,1,0,1,0,0|1,0,1]=4 1436 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,1,0,1,0,0|1,0,0]=3 1437 B10R1.14 CCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210202 [0,1,0,1,0,0|2,0,0]=4 1438 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,1,0,1,0,0|2,0,0]=4 1439 B10R1.14 CCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210202 [0,1,0,1,0,0|2,0,0]=4 1440 B10R1.14 CNC(=O)C1CCC(=O)N1 240690a_100102657272_100000210400 [0,1,0,1,0,0|1,0,0]=3 1441 B10R1.14 CNC(=O)C1CNC(=O)N1 11a_106832991635_100000033324 [0,1,0,1,0,0|2,0,0]=4 1442 B10R1.14 CNC(=O)C1CNC(=O)N1 240690a_100102657272_100000033324 [0,1,0,1,0,0|2,0,0]=4 1443 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [0,1,0,1,0,0|2,0,0]=4 1444 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [0,1,0,1,0,0|2,0,0]=4 1445 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [0,1,0,1,0,0|2,0,0]=4 1446 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [0,1,0,1,0,0|2,0,0]=4 1447 B10R1.14 CNC(=O)[C@@H]1CSC(=O)N1 240690a_100102657272_100000735014 [0,1,0,1,0,0|2,0,0]=4 1448 B10R1.14 O=C1CCC(N1)C(=O)CF 1458a_100000210400_100015361967 [0,1,0,1,0,0|1,0,0]=3 1449 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [0,1,0,1,0,0|2,0,0]=4 1450 B10R1.14 O=C1NCC(N1)C(=O)CF 1458a_100000033324_100015361967 [0,1,0,1,0,0|2,0,0]=4 1451 B10R1.14 O=C1N[C@@H](CS1)C(=O)CF 1458a_100000735014_100015361967 [0,1,0,1,0,0|2,0,0]=4 1452 B10R1.64 CC(=O)CN1CCOC1=O 1458a_100011227918_200000210301 [0,1,0,1,0,0|2,0,0]=4 1453 B10R1.64 CC(=O)NC1CCNC1=O 11a_100016995588_100015343762 [0,1,0,1,0,0|1,0,0]=3 1454 B10R1.64 CC(=O)NC1CCNC1=O 1626a_100016995588_100015343762 [0,1,0,1,0,0|1,0,0]=3 1455 B10R1.64 CC(=O)NC1CCNC1=O 240690a_100016995588_100015343762 [0,1,0,1,0,0|1,0,0]=3 1456 B10R1.64 CC(=O)NC1CCNC1=O 527a_100016995588_100103153847 [0,1,0,1,0,0|1,0,0]=3 1457 B10R1.64 CC(=O)NC1CCSC1=O 11a_100000184058_100015343762 [0,1,0,1,0,0|0,1,0]=3 1458 B10R1.64 CC(=O)NC1CCSC1=O 1626a_100000184058_100015343762 [0,1,0,1,0,0|0,1,0]=3 1459 B10R1.64 CC(=O)NC1CCSC1=O 240690a_100000184058_100015343762 [0,1,0,1,0,0|0,1,0]=3 1460 B10R1.64 CC(=O)NC1CCSC1=O 527a_100000184058_100103153847 [0,1,0,1,0,0|0,1,0]=3 1461 B10R1.64 CC(=O)N[C@@H]1CONC1=O 11a_100000765999_100015343762 [0,1,0,1,0,0|0,0,0]=2 1462 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,1,0,1,0,0|1,0,1]=4 1463 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,1,0,1,0,0|1,0,1]=4 1464 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 11a_100015191717_100015343762 [0,1,0,1,0,0|0,0,2]=4 1465 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 240690a_100015191717_100015343762 [0,1,0,1,0,0|0,0,2]=4 1466 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 527a_100015191717_100103153847 [0,1,0,1,0,0|0,0,2]=4 1467 B10R1.64 CC(C)NC1CCOC1=O 2230a_100138425928_100000211211 [0,1,0,1,0,0|1,0,1]=4 1468 B10R1.64 CC(C)NC1CCOC1=O 34a_100138425928_100000211211 [0,1,0,1,0,0|1,0,1]=4 1469 B10R1.64 CC(C)N[C@@H]1CONC1=O 2230a_100000765999_100000210206 [0,1,0,1,0,0|1,0,1]=4 1470 B10R1.64 CC(C)N[C@@H]1CONC1=O 34a_100000765999_100000210206 [0,1,0,1,0,0|1,0,1]=4 1471 B10R1.64 [13CH3]C(=O)CN1CCOC1=O 1458a_100011227918_200025704644 [0,1,0,1,0,0|2,0,0]=4 1472 B10R1.184 COC(=O)C(C)NC1CC1 34a_100000212008_100000211248 [0,1,0,1,0,0|1,0,1]=4 1473 B10R1.194 CC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_200000210301 [0,1,0,1,0,0|1,0,0]=3 1474 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)[13CH3] 1458a_100010979499_200025704644 [0,1,0,1,0,0|1,0,0]=3 1475 B10R1.408 COC(=O)C1CC1C(=O)C 1458a_100000750770_200000210301 [0,1,0,1,0,0|1,0,0]=3 1476 B10R1.408 COC(=O)C1CC1C(=O)[13CH3] 1458a_100000750770_200025704644 [0,1,0,1,0,0|1,0,0]=3 1477 B10R1.408 COC(=O)C1CN1C(=O)C 240690a_200009830135_100015343762 [0,1,0,1,0,0|0,0,0]=2 1478 B10R1.408 COC(=O)C1CN1C(C)C 2230a_200009830135_100000210206 [0,1,0,1,0,0|1,0,1]=4 1479 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,1,0,1,0,0|2,0,0]=4 1480 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [0,1,0,1,0,0|1,0,0]=3 1481 B10R1.113 CC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_200000210301 [0,1,0,1,0,0|2,0,0]=4 1482 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,1,0,1,0,0|1,0,0]=3 1483 B10R1.113 CC1=NCC[C@H](N1)C(=O)[13CH3] 1458a_100015271614_200025704644 [0,1,0,1,0,0|2,0,0]=4 1484 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,1,0,1,0,0|2,0,0]=4 1485 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [0,1,0,1,0,0|1,0,0]=3 1486 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,1,0,1,0,0|1,0,0]=3 1487 B10R1.361 CC(=O)N1CC[C@H]1C(=O)[13CH3] 1458a_200015362969_200025704644 [0,1,0,1,0,0|1,0,0]=3 1488 B10R1.361 CC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_200000210301 [0,1,0,1,0,0|1,0,0]=3 1489 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [0,1,0,1,0,0|1,0,1]=4 1490 B10R1.469 CC[C@@H](NC1CC1)C(=O)O 269956a_100000747097_100000211595 [0,1,0,1,0,0|1,0,1]=4 1491 B10R1.469 O=C(O)C(CO)NC1CC1 269956a_100000187304_100000211595 [0,1,0,1,0,0|1,0,1]=4 1492 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,1,0,1,0,0|1,0,1]=4 1493 B10R1.204 C[C@H](NC1COC1)C(=O)O 269956a_100000743915_100009818527 [0,1,0,1,0,0|0,0,2]=4 1494 B10R1.412 CCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000210414 [0,1,0,1,0,0|1,0,1]=4 1495 B10R1.412 CCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000210414 [0,1,0,1,0,0|1,0,1]=4 1496 B10R1.412 CCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000210414 [0,1,0,1,0,0|1,0,1]=4 1497 B10R1.412 CNC(=O)N1C[C@@H]([C@@H]1C)O 2708a_100102657272_206633788156 [0,1,0,1,0,0|1,0,1]=4 1498 B10R1.412 CNC(=O)N1C[C@@H]([C@@H]1C)O 273464a_100102657272_206633788156 [0,1,0,1,0,0|1,0,1]=4 1499 B10R1.412 C[C@H]1[C@H](CN1C(=O)CO)O 240690a_206633788156_100000210174 [0,1,0,1,0,0|1,0,1]=4 1500 B10R1.412 C[C@H]1[C@H](CN1C(=O)CO)O 527a_206633788156_100000210174 [0,1,0,1,0,0|1,0,1]=4 1501 B10R1.278 CC(C(=O)O)N(C)C1CC1 269956a_100000749554_100000211595 [0,1,0,1,0,0|1,0,1]=4 1502 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [1,0,0,0,0,1|2,0,0]=4 1503 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,0,0,0,0,1|1,0,0]=3 1504 B8R0.28 C=C(C)CNNC(=O)C 22a_100000729518_100000070787 [1,0,0,0,0,1|2,0,0]=4 1505 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [1,0,0,0,0,1|1,0,1]=4 1506 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,0,0,0,0,1|2,0,0]=4 1507 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,0,0,0,0,1|2,0,0]=4 1508 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,0,0,0,0,1|1,0,0]=3 1509 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,0,0,0,0,1|1,0,0]=3 1510 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [1,0,0,0,0,1|2,0,0]=4 1511 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [1,0,0,0,0,1|2,0,0]=4 1512 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,0,0,0,0,1|2,0,0]=4 1513 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [1,0,0,0,0,1|2,0,0]=4 1514 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,0,0,0,0,1|2,0,0]=4 1515 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [1,0,0,0,0,1|2,0,0]=4 1516 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [1,0,0,0,0,1|2,0,0]=4 1517 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [1,0,0,0,0,1|1,0,1]=4 1518 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [1,0,0,0,0,1|2,0,0]=4 1519 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [1,0,0,0,0,1|2,0,0]=4 1520 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [1,0,0,0,0,1|2,0,0]=4 1521 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [1,0,0,0,0,1|1,0,0]=3 1522 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [1,0,0,0,0,1|1,0,0]=3 1523 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [1,0,0,0,0,1|1,0,0]=3 1524 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,0,0,0,0,1|1,0,0]=3 1525 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,0,0,0,0,1|1,0,1]=4 1526 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,0,0,0,0,1|1,0,1]=4 1527 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [1,0,0,0,0,1|1,0,1]=4 1528 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,0,0,0,0,1|2,0,0]=4 1529 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,0,0,0,0,1|1,0,1]=4 1530 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [1,0,0,0,0,1|1,0,1]=4 1531 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,0,0,0,0,1|0,0,2]=4 1532 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,0,0,0,0,1|0,0,2]=4 1533 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [1,0,0,0,0,1|2,0,0]=4 1534 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [1,0,0,0,0,1|1,0,0]=3 1535 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [1,0,0,0,0,1|2,0,0]=4 1536 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [1,0,0,0,0,1|1,0,0]=3 1537 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [1,0,0,0,0,1|2,0,0]=4 1538 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [1,0,0,0,0,1|2,0,0]=4 1539 B10R0.96 CC(=O)CC(C)CSC(=O)C 1458a_100000070787_200000116872 [0,0,0,0,0,2|2,0,0]=4 1540 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,0,0,0,0,2|2,0,0]=4 1541 B10R0.96 CC(=O)OC(C)NCC(=O)O 269956a_100016091260_100009818208 [0,0,0,0,0,2|2,0,0]=4 1542 B10R0.96 CC(=O)OCN(C)CC(=O)O 269956a_100000746989_100000076356 [0,0,0,0,0,2|2,0,0]=4 1543 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,0,0,0,0,2|1,0,0]=3 1544 B10R0.98 C=C(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000730704 [0,0,0,0,0,2|2,0,0]=4 1545 B10R0.98 C=C(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000730704 [0,0,0,0,0,2|2,0,0]=4 1546 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,0,0,0,0,2|1,0,0]=3 1547 B10R0.98 C=C(C)CNCC(F)C(=O)O 269956a_100000084737_100000748629 [0,0,0,0,0,2|2,0,0]=4 1548 B10R0.98 C=C(F)CNCC(C)C(=O)O 269956a_100000749485_100000042424 [0,0,0,0,0,2|1,0,1]=4 1549 B10R0.98 CC(=CCNC(C)C(=O)N)C 34a_100000718196_100000702099 [0,0,0,0,0,2|2,0,0]=4 1550 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [0,0,0,0,0,2|1,0,0]=3 1551 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 2230a_100000119354_100000761012 [0,0,0,0,0,2|2,0,0]=4 1552 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 34a_100000119354_100000761012 [0,0,0,0,0,2|2,0,0]=4 1553 B10R0.98 CC(=O)C(C)NOCC(=O)O 269956a_100000106656_100009814033 [0,0,0,0,0,2|2,0,0]=4 1554 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,0,0,0,0,2|0,0,0]=2 1555 B10R0.98 CC(=O)CCOC(C)C(=O)C 7a_100000759926_100000179758 [0,0,0,0,0,2|2,0,0]=4 1556 B10R0.98 CC(=O)CCOC(C)C(=O)N 34a_100000759926_100000702099 [0,0,0,0,0,2|2,0,0]=4 1557 B10R0.98 CC(=O)CCOC(C)C(=O)N 7a_100000759926_100000702099 [0,0,0,0,0,2|2,0,0]=4 1558 B10R0.98 CC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000053229 [0,0,0,0,0,2|1,0,1]=4 1559 B10R0.98 CC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000053229 [0,0,0,0,0,2|2,0,0]=4 1560 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100000053229_100009814033 [0,0,0,0,0,2|2,0,0]=4 1561 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100009814033_100000053229 [0,0,0,0,0,2|2,0,0]=4 1562 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000053229_100000702099 [0,0,0,0,0,2|2,0,0]=4 1563 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000702099_100000053229 [0,0,0,0,0,2|2,0,0]=4 1564 B10R0.98 CC(=O)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000076356 [0,0,0,0,0,2|0,0,0]=2 1565 B10R0.98 CC(=O)OCN[C@H](C)C(=O)N 34a_100000119354_100009813279 [0,0,0,0,0,2|1,0,0]=3 1566 B10R0.98 CC(=O)OCOC(C)C(=O)C 34a_100000212229_100009813279 [0,0,0,0,0,2|2,0,0]=4 1567 B10R0.98 CC(=O)OCO[C@H](C)C(=O)N 34a_100000731257_100009813279 [0,0,0,0,0,2|2,0,0]=4 1568 B10R0.98 CC(=O)OCSC(C)C(=O)C 62a_100000076356_100009814033 [0,0,0,0,0,2|2,0,0]=4 1569 B10R0.98 CC(=O)OCSC(C)C(=O)C 62a_100009814033_100000076356 [0,0,0,0,0,2|2,0,0]=4 1570 B10R0.98 CC(=O)OCSC(C)C(=O)N 62a_100000076356_100000702099 [0,0,0,0,0,2|2,0,0]=4 1571 B10R0.98 CC(=O)OCSC(C)C(=O)N 62a_100000702099_100000076356 [0,0,0,0,0,2|2,0,0]=4 1572 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,0,0,0,0,2|1,0,1]=4 1573 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,0,0,0,0,2|1,0,1]=4 1574 B10R0.98 CC(C)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000709892 [0,0,0,0,0,2|1,0,1]=4 1575 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,0,0,0,0,2|1,0,0]=3 1576 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,0,0,0,0,2|1,0,0]=3 1577 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,0,0,0,0,2|0,0,2]=4 1578 B10R0.98 CC(CNC[N+](=O)[O-])C(=O)O 269956a_100000749485_100000761209 [0,0,0,0,0,2|2,0,0]=4 1579 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,0,0,0,0,2|0,0,2]=4 1580 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,0,0,0,0,2|0,0,2]=4 1581 B10R0.98 C[C@@H](NCCC(=O)N)C(=O)N 2230a_100000119354_100000744528 [0,0,0,0,0,2|2,0,0]=4 1582 B10R0.98 C[C@@H](NCCC(=O)N)C(=O)N 34a_100000119354_100000731001 [0,0,0,0,0,2|2,0,0]=4 1583 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,0,0,0,0,2|1,0,0]=3 1584 B10R0.98 C[C@H](NCCN(C)C)C(=O)O 269956a_100000743915_100000755713 [0,0,0,0,0,2|2,0,0]=4 1585 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,0,0,0,0,2|2,0,0]=4 1586 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [0,0,0,0,0,2|2,0,0]=4