0 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 34a_200000034949_200025704644 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 7a_200000034949_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [0,0,0,0,0,0|1,0,3]=4 13 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.2 CCC(C)C(C)N(C)C 270004a_100102631434_100000210599 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,0,0,0,0,0|3,0,0]=3 19 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,0,0,0,0,0|3,0,0]=3 20 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,0,0,0,0,0|3,0,0]=3 22 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,0,0,0,0,0|3,0,0]=3 23 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,0,0,0,0,0|3,0,0]=3 26 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,0,0,0,0,0|3,0,0]=3 27 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,0,0,0,0,0|3,0,0]=3 28 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,0,0,0,0,0|3,0,0]=3 30 B8R0.2 CCN(C)C(F)C(=O)N 2230a_100000225621_100009813875 [0,0,0,0,0,0|3,0,0]=3 31 B8R0.2 CCN(C)C(F)C(=O)N 269982a_100000225621_100009813875 [0,0,0,0,0,0|3,0,0]=3 32 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,0,0,0,0,0|3,0,0]=3 33 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,0,0,0,0,0|3,0,0]=3 34 B8R0.2 COC(C)C(C)[N+](=O)[O-] 34a_200000034949_200000210301 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.2 COC(C)C(C)[N+](=O)[O-] 7a_200000034949_200000210301 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,0,0,0,0,0|2,0,0]=2 37 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,0,0,0,0,0|2,0,0]=2 38 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [1,0,0,0,0,0|3,0,0]=4 46 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [1,0,0,0,0,0|1,0,2]=4 50 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [1,0,0,0,0,0|1,0,2]=4 51 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,0,0,0,0,0|3,0,0]=4 58 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [1,0,0,0,0,0|3,0,0]=4 60 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,0,0,0,0,0|1,0,2]=4 61 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,0,0,0,0,0|1,0,2]=4 62 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,0,0,0,0,0|1,0,2]=4 66 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,0,0,0,0,0|1,0,0]=2 67 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,0,0,0,0,0|1,0,0]=2 68 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,0,0,0,0,0|1,0,0]=2 69 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [1,0,0,0,0,0|3,0,0]=4 71 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [1,0,0,0,0,0|3,0,0]=4 72 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [1,0,0,0,0,0|3,0,0]=4 73 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [1,0,0,0,0,0|3,0,0]=4 74 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [1,0,0,0,0,0|3,0,0]=4 75 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [1,0,0,0,0,0|3,0,0]=4 76 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,0,0,0,0,0|2,0,0]=3 78 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,0,0,0,0,0|2,0,0]=3 80 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,0,0,0,0,0|2,0,0]=3 81 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,0,0,0,0,0|2,0,0]=3 82 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,0,0,0,0,0|2,0,0]=3 83 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,0,0,0,0,0|2,0,0]=3 84 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [1,0,0,0,0,0|2,0,0]=3 85 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [1,0,0,0,0,0|2,0,0]=3 86 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [1,0,0,0,0,0|2,0,0]=3 87 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,0,0,0,0,0|1,0,0]=2 88 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,0,0,0,0,0|1,0,0]=2 89 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,0,0,0,0,0|2,0,0]=3 90 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [1,0,0,0,0,0|1,0,1]=3 91 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.2 CCN(C)C[N+](=O)[O-] 269982a_100000225621_100000761209 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,0,0,0,0,0|1,0,0]=2 101 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [1,0,0,0,0,0|2,0,1]=4 102 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [1,0,0,0,0,0|2,0,1]=4 103 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,0,0,0,0,0|1,0,0]=2 104 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [1,0,0,0,0,0|3,0,0]=4 105 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [1,0,0,0,0,0|3,0,0]=4 106 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [1,0,0,0,0,0|2,0,0]=3 107 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [1,0,0,0,0,0|2,0,1]=4 108 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [1,0,0,0,0,0|3,0,0]=4 109 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [1,0,0,0,0,0|3,0,0]=4 110 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [1,0,0,0,0,0|2,0,1]=4 111 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,0,0,0,0,0|3,0,0]=4 112 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,0,0,0,0,0|3,0,0]=4 113 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,0,0,0,0,0|3,0,0]=4 114 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,0,0,0,0|2,0,0]=3 115 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,0,0,0,0|2,0,0]=3 116 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,0,0,0,0|2,0,0]=3 117 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,0,0,0,0|2,0,0]=3 118 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 119 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 120 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 121 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,0,0,0,0|3,0,0]=4 122 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,0,0,0,0|2,0,0]=3 123 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,0,0,0,0|2,0,0]=3 124 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,0,0,0,0,0|3,0,0]=4 125 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,0,0,0,0,0|3,0,0]=4 126 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [1,0,0,0,0,0|3,0,0]=4 127 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,0,0,0,0|2,0,0]=3 128 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,0,0,0,0,0|3,0,0]=4 129 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,0,0,0,0,0|3,0,0]=4 130 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,0,0,0,0,0|3,0,0]=4 131 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,0,0,0,0,0|3,0,0]=4 132 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,0,0,0,0,0|3,0,0]=4 133 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,0,0,0,0,0|3,0,0]=4 134 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [1,0,0,0,0,0|3,0,0]=4 135 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [1,0,0,0,0,0|2,0,1]=4 136 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,0,0,0,0,0|2,0,1]=4 137 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,0,0,0,0,0|3,0,0]=4 138 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,0,0,0,0,0|3,0,0]=4 139 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,0,0,0,0,0|3,0,0]=4 140 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,0,0,0,0,0|3,0,0]=4 141 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,0,0,0,0,0|3,0,0]=4 142 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,0,0,0,0,0|3,0,0]=4 143 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,0,0,0,0,0|3,0,0]=4 144 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,0,0,0,0,0|3,0,0]=4 145 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [1,0,0,0,0,0|3,0,0]=4 146 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [1,0,0,0,0,0|3,0,0]=4 147 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [1,0,0,0,0,0|2,0,1]=4 148 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [1,0,0,0,0,0|2,0,1]=4 149 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,0,0,0,0|2,0,0]=3 150 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,0,0,0,0|2,0,0]=3 151 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,0,0,0,0,0|3,0,0]=4 152 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,0,0,0,0,0|3,0,0]=4 153 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,0,0,0,0,0|3,0,0]=4 154 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,0,0,0,0,0|3,0,0]=4 155 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,0,0,0,0,0|3,0,0]=4 156 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [1,0,0,0,0,0|2,0,0]=3 157 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,0,0,0,0,0|3,0,0]=4 158 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,0,0,0,0,0|3,0,0]=4 159 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,0,0,0,0,0|3,0,0]=4 160 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,0,0,0,0|2,0,0]=3 161 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [1,0,0,0,0,0|2,0,0]=3 162 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,0,0,0,0,0|2,0,1]=4 163 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [1,0,0,0,0,0|3,0,0]=4 164 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [1,0,0,0,0,0|3,0,0]=4 165 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [1,0,0,0,0,0|3,0,0]=4 166 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [1,0,0,0,0,0|3,0,0]=4 167 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [1,0,0,0,0,0|3,0,0]=4 168 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,0,0,0,0,0|1,0,2]=4 169 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [1,0,0,0,0,0|3,0,0]=4 170 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [1,0,0,0,0,0|3,0,0]=4 171 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [1,0,0,0,0,0|3,0,0]=4 172 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [1,0,0,0,0,0|3,0,0]=4 173 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [1,0,0,0,0,0|2,0,1]=4 174 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [1,0,0,0,0,0|2,0,1]=4 175 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [1,0,0,0,0,0|2,0,1]=4 176 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [1,0,0,0,0,0|2,0,1]=4 177 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [1,0,0,0,0,0|2,0,1]=4 178 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [1,0,0,0,0,0|2,0,1]=4 179 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [1,0,0,0,0,0|2,0,1]=4 180 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [1,0,0,0,0,0|2,0,1]=4 181 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,0,0,0,0,0|2,0,0]=3 182 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [1,0,0,0,0,0|3,0,0]=4 183 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [1,0,0,0,0,0|3,0,0]=4 184 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [1,0,0,0,0,0|3,0,0]=4 185 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [1,0,0,0,0,0|3,0,0]=4 186 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [1,0,0,0,0,0|3,0,0]=4 187 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [1,0,0,0,0,0|3,0,0]=4 188 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [1,0,0,0,0,0|3,0,0]=4 189 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,0,0,0,0,0|2,0,0]=3 190 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [1,0,0,0,0,0|3,0,0]=4 191 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [1,0,0,0,0,0|3,0,0]=4 192 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,0,0,0,0,0|2,0,0]=3 193 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,0,0,0,0,0|2,0,0]=3 194 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,0,0,0,0,0|2,0,0]=3 195 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,0,0,0,0,0|2,0,0]=3 196 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [1,0,0,0,0,0|3,0,0]=4 197 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [1,0,0,0,0,0|3,0,0]=4 198 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [1,0,0,0,0,0|3,0,0]=4 199 B9R0.6 C#CCN(C)C(C)C(=O)O 269956a_100000749554_100000184674 [0,1,0,0,0,0|2,0,1]=4 200 B9R0.6 C=CCN(C)C(C)C(=O)O 269956a_100000749554_100000210623 [0,1,0,0,0,0|2,0,1]=4 201 B9R0.6 CC(=O)C(C)N(C)CCO 2230a_100000210263_100009814033 [0,1,0,0,0,0|3,0,0]=4 202 B9R0.6 CC(=O)C(C)N(C)CCO 269982a_100000210263_100009814033 [0,1,0,0,0,0|3,0,0]=4 203 B9R0.6 CC(=O)N(C)C(C)CCO 240690a_100000731037_100015343762 [0,1,0,0,0,0|3,0,0]=4 204 B9R0.6 CC(=O)N(C)C(C)CCO 527a_100000731037_100103153847 [0,1,0,0,0,0|3,0,0]=4 205 B9R0.6 CC(C(=O)N)N(C)CCO 2230a_100000210263_100000702099 [0,1,0,0,0,0|3,0,0]=4 206 B9R0.6 CC(C(=O)N)N(C)CCO 269982a_100000210263_100000184083 [0,1,0,0,0,0|3,0,0]=4 207 B9R0.6 CC(C(=O)O)N(C)CC#N 269956a_100000749554_100011215382 [0,1,0,0,0,0|2,0,1]=4 208 B9R0.6 CC(C(=O)O)N(C)CC=O 269956a_100000749554_200015260668 [0,1,0,0,0,0|2,0,1]=4 209 B9R0.6 CC(C(=O)O)N(C)CCF 269956a_100000749554_100011217306 [0,1,0,0,0,0|2,0,0]=3 210 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [0,1,0,0,0,0|2,0,0]=3 211 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [0,1,0,0,0,0|2,0,0]=3 212 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [0,1,0,0,0,0|2,0,0]=3 213 B9R0.6 CCCN(C)C(C)C(=O)C 2230a_100000747261_100009814033 [0,1,0,0,0,0|3,0,0]=4 214 B9R0.6 CCCN(C)C(C)C(=O)C 269982a_100000747261_100009814033 [0,1,0,0,0,0|3,0,0]=4 215 B9R0.6 CCCN(C)C(C)C(=O)N 2230a_100000747261_100000702099 [0,1,0,0,0,0|3,0,0]=4 216 B9R0.6 CCCN(C)C(C)C(=O)N 269982a_100000747261_100000184083 [0,1,0,0,0,0|3,0,0]=4 217 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,1,0,0,0,0|2,0,0]=3 218 B9R0.6 CCCN(C)C(F)C(=O)N 2230a_100000747261_100009813875 [0,1,0,0,0,0|3,0,0]=4 219 B9R0.6 CCCN(C)C(F)C(=O)N 269982a_100000747261_100009813875 [0,1,0,0,0,0|3,0,0]=4 220 B9R0.6 CCOC(C)C(C)[N+](=O)[O-] 34a_200000034949_100000210202 [0,1,0,0,0,0|2,0,1]=4 221 B9R0.6 CCOC(C)C(C)[N+](=O)[O-] 7a_200000034949_100000210202 [0,1,0,0,0,0|2,0,1]=4 222 B9R0.6 CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210202 [0,1,0,0,0,0|1,0,0]=2 223 B9R0.6 CN(CCO)C(F)C(=O)N 2230a_100000210263_100009813875 [0,1,0,0,0,0|3,0,0]=4 224 B9R0.6 CN(CCO)C(F)C(=O)N 269982a_100000210263_100009813875 [0,1,0,0,0,0|3,0,0]=4 225 B9R0.6 COCN(C)C(C)C(=O)O 269956a_100000749554_100000766300 [0,1,0,0,0,0|2,0,0]=3 226 B9R0.6 CSCN(C)C(C)C(=O)O 269956a_100000749554_100011218213 [0,1,0,0,0,0|2,0,0]=3 227 B9R0.6 C[C@@H](OCF)[C@H](N)C(=O)N 34a_100000003557_100015361967 [0,1,0,0,0,0|2,0,0]=3 228 B9R0.27 C=CC(=O)N(C)C(C)CC 1626a_100000741768_100000185746 [0,1,0,0,0,0|3,0,0]=4 229 B9R0.27 C=CC(=O)N(C)C(C)CC 240690a_100000741768_200121576911 [0,1,0,0,0,0|3,0,0]=4 230 B9R0.27 CC(CO)N(C)C(=O)CO 240690a_100000693034_100000210174 [0,1,0,0,0,0|3,0,0]=4 231 B9R0.27 CC(CO)N(C)C(=O)CO 527a_100000693034_100000210174 [0,1,0,0,0,0|3,0,0]=4 232 B9R0.27 CCC(=O)C(C)C(=O)CO 1458a_100000210174_100000742827 [0,1,0,0,0,0|2,0,1]=4 233 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100000210414_100000211248 [0,1,0,0,0,0|2,0,1]=4 234 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210202 [0,1,0,0,0,0|2,0,1]=4 235 B9R0.27 CCC(=O)C(C)N(C)CC 1458a_100011281945_100000210202 [0,1,0,0,0,0|3,0,0]=4 236 B9R0.27 CCC(=O)C(C)N(C)CC 2230a_100000225621_100000742827 [0,1,0,0,0,0|3,0,0]=4 237 B9R0.27 CCC(=O)C(C)N(C)CC 269982a_100000225621_100000742827 [0,1,0,0,0,0|3,0,0]=4 238 B9R0.27 CCC(=O)N(C)C(C)CC 11a_100000741768_100000210414 [0,1,0,0,0,0|3,0,0]=4 239 B9R0.27 CCC(=O)N(C)C(C)CC 1626a_100000741768_100000210414 [0,1,0,0,0,0|3,0,0]=4 240 B9R0.27 CCC(=O)N(C)C(C)CC 240690a_100000741768_100000210414 [0,1,0,0,0,0|3,0,0]=4 241 B9R0.27 CCC(=O)N(C)C(C)CC 527a_100000741768_100000210414 [0,1,0,0,0,0|3,0,0]=4 242 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [0,1,0,0,0,0|2,0,1]=4 243 B9R0.27 CCC(C)C(C)C(C)OC 7a_200011290770_200000210301 [0,1,0,0,0,0|2,0,1]=4 244 B9R0.27 CCC(C)C(C)C(C)O[13CH3] 7a_200011290770_200025704644 [0,1,0,0,0,0|2,0,1]=4 245 B9R0.27 CCC(C)N(C)C(=O)CO 240690a_100000741768_100000210174 [0,1,0,0,0,0|2,0,0]=3 246 B9R0.27 CCC(C)N(C)C(=O)CO 527a_100000741768_100000210174 [0,1,0,0,0,0|2,0,0]=3 247 B9R0.27 CCC(C)N(C)C(=O)NC 2708a_100102657272_100000741768 [0,1,0,0,0,0|3,0,0]=4 248 B9R0.27 CCC(C)N(C)C(=O)NC 273464a_100102657272_100000741768 [0,1,0,0,0,0|3,0,0]=4 249 B9R0.27 CCN(C)C(=O)C(=O)OC 11a_100000225621_100000024059 [0,1,0,0,0,0|2,0,1]=4 250 B9R0.27 CCN(C)C(=O)C(=O)OC 1626a_100000225621_100000024059 [0,1,0,0,0,0|2,0,1]=4 251 B9R0.27 CCN(C)C(=O)C(=O)OC 240690a_100000225621_100000024059 [0,1,0,0,0,0|2,0,1]=4 252 B9R0.27 CCN(C)C(=O)C(=O)OC 527a_100000225621_100000024059 [0,1,0,0,0,0|2,0,1]=4 253 B9R0.27 CCN(C)C(C)C(=O)CF 1458a_100011281945_100015361967 [0,1,0,0,0,0|3,0,0]=4 254 B9R0.27 CCN(C)C(C)C(=O)NC 2230a_100000225621_100000731044 [0,1,0,0,0,0|3,0,0]=4 255 B9R0.27 CCN(C)C(C)C(=O)NC 240690a_100102657272_100011281945 [0,1,0,0,0,0|3,0,0]=4 256 B9R0.27 CCN(C)C(C)C(=O)NC 269982a_100000225621_100000209862 [0,1,0,0,0,0|3,0,0]=4 257 B9R0.27 CCN(C)C(C)C(=O)NC 527a_100102657272_100011281945 [0,1,0,0,0,0|3,0,0]=4 258 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000225621_100000211248 [0,1,0,0,0,0|2,0,0]=3 259 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000725243_100000210202 [0,1,0,0,0,0|2,0,0]=3 260 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000225621_100000211248 [0,1,0,0,0,0|2,0,0]=3 261 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000725243_100000204670 [0,1,0,0,0,0|2,0,0]=3 262 B9R0.27 CCN(C)C(F)C(=O)NC 2230a_100000225621_100009813575 [0,1,0,0,0,0|3,0,0]=4 263 B9R0.27 CCN(C)C(F)C(=O)NC 269982a_100000225621_100009813575 [0,1,0,0,0,0|3,0,0]=4 264 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)OC 34a_100102634413_200000210301 [0,1,0,0,0,0|2,0,0]=3 265 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100102634413_200025704644 [0,1,0,0,0,0|2,0,0]=3 266 B9R0.27 CNC(C)C(=O)C(=O)OC 2230a_106832991635_100000692041 [0,1,0,0,0,0|2,0,1]=4 267 B9R0.27 CNC(C)C(=O)C(=O)OC 34a_100102657272_100000692041 [0,1,0,0,0,0|2,0,1]=4 268 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [0,1,0,0,0,0|2,0,1]=4 269 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [0,1,0,0,0,0|2,0,1]=4 270 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [0,1,0,0,0,0|2,0,1]=4 271 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [0,1,0,0,0,0|2,0,1]=4 272 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [0,1,0,0,0,0|2,0,1]=4 273 B9R0.27 COC(=O)C(C)N(C)CF 269982a_100000725243_100015361967 [0,1,0,0,0,0|3,0,0]=4 274 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC 34a_100000004424_200000210301 [0,1,0,0,0,0|1,0,0]=2 275 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100000004424_200025704644 [0,1,0,0,0,0|1,0,0]=2 276 B9R0.28 CCN(C)C(C)(C)C(=O)C 269982a_100000225621_100000075568 [0,1,0,0,0,0|3,0,0]=4 277 B9R0.28 CCN(C)C(C)(C)C(=O)N 2230a_100000225621_100000702505 [0,1,0,0,0,0|3,0,0]=4 278 B9R0.28 CCN(C)C(C)(C)C(=O)N 269982a_100000225621_100000702505 [0,1,0,0,0,0|3,0,0]=4 279 B9R0.28 CCN(C)C(F)(F)C(=O)N 269982a_100000225621_100009811971 [0,1,0,0,0,0|3,0,0]=4 280 B9R0.28 CCN(C)C(F)(F)C(=O)[O-] 269982a_100000225621_100000745680 [0,1,0,0,0,0|2,0,1]=4 281 B9R0.29 CCC(C(=O)C)N(C)CC 1458a_100011345578_200000210301 [0,1,0,0,0,0|3,0,0]=4 282 B9R0.29 CCC(C(=O)N)N(C)CC 2230a_100000225621_100000750255 [0,1,0,0,0,0|3,0,0]=4 283 B9R0.29 CCC(C(=O)N)N(C)CC 269982a_100000225621_100000750255 [0,1,0,0,0,0|3,0,0]=4 284 B9R0.29 CCC(C(=O)[13CH3])N(C)CC 1458a_100011345578_200025704644 [0,1,0,0,0,0|3,0,0]=4 285 B9R0.29 CCC(C)N(CC)C(=O)C 11a_100000732650_100015343762 [0,1,0,0,0,0|3,0,0]=4 286 B9R0.29 CCC(C)N(CC)C(=O)C 1626a_100000732650_100015343762 [0,1,0,0,0,0|3,0,0]=4 287 B9R0.29 CCC(C)N(CC)C(=O)C 240690a_100000732650_100015343762 [0,1,0,0,0,0|3,0,0]=4 288 B9R0.29 CCC(C)N(CC)C(=O)C 527a_100000732650_100103153847 [0,1,0,0,0,0|3,0,0]=4 289 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [0,1,0,0,0,0|2,0,0]=3 290 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 2230a_103436537554_100000210202 [0,1,0,0,0,0|3,0,0]=4 291 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 269982a_103436537554_100000204670 [0,1,0,0,0,0|3,0,0]=4 292 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [0,1,0,0,0,0|0,0,0]=1 293 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [0,1,0,0,0,0|0,0,0]=1 294 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)N 2230a_100000758034_200000210301 [0,1,0,0,0,0|1,0,0]=2 295 B9R0.29 CC[C@H](C)[C@H](N[13CH3])C(=O)N 2230a_100000758034_200025704644 [0,1,0,0,0,0|1,0,0]=2 296 B9R0.29 CN(CF)[C@@H](CO)C(=O)O 269956a_100015362447_100015361967 [0,1,0,0,0,0|3,0,0]=4 297 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [0,1,0,0,0,0|1,0,0]=2 298 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [0,1,0,0,0,0|1,0,0]=2 299 B9R0.32 CCC(C)(C)N(C)C(=O)C 11a_200000755171_100015343762 [0,1,0,0,0,0|3,0,0]=4 300 B9R0.32 CCC(C)(C)N(C)C(=O)C 1626a_200000755171_100015343762 [0,1,0,0,0,0|3,0,0]=4 301 B9R0.32 CCC(C)(C)N(C)C(=O)C 240690a_200000755171_100015343762 [0,1,0,0,0,0|3,0,0]=4 302 B9R0.32 CCC(C)(C)N(C)C(=O)C 527a_200000755171_100103153847 [0,1,0,0,0,0|3,0,0]=4 303 B9R0.41 CCC(CC)N(C)C(=O)C 11a_100000737045_100015343762 [0,1,0,0,0,0|3,0,0]=4 304 B9R0.41 CCC(CC)N(C)C(=O)C 1626a_100000737045_100015343762 [0,1,0,0,0,0|3,0,0]=4 305 B9R0.41 CCC(CC)N(C)C(=O)C 240690a_100000737045_100015343762 [0,1,0,0,0,0|3,0,0]=4 306 B9R0.41 CCC(CC)N(C)C(=O)C 527a_100000737045_100103153847 [0,1,0,0,0,0|3,0,0]=4 307 B9R0.41 CCN(CC)C(C)C(=O)C 2230a_100000724800_100009814033 [0,1,0,0,0,0|3,0,0]=4 308 B9R0.41 CCN(CC)C(C)C(=O)C 269956a_100000042499_100009814033 [0,1,0,0,0,0|3,0,0]=4 309 B9R0.41 CCN(CC)C(C)C(=O)C 269982a_100000724800_100009814033 [0,1,0,0,0,0|3,0,0]=4 310 B9R0.41 CCN(CC)C(C)C(=O)N 2230a_100000724800_100000702099 [0,1,0,0,0,0|3,0,0]=4 311 B9R0.41 CCN(CC)C(C)C(=O)N 2230a_100020603310_100000210202 [0,1,0,0,0,0|3,0,0]=4 312 B9R0.41 CCN(CC)C(C)C(=O)N 269982a_100000724800_100000184083 [0,1,0,0,0,0|3,0,0]=4 313 B9R0.41 CCN(CC)C(C)C(=O)N 269982a_100020603310_100000204670 [0,1,0,0,0,0|3,0,0]=4 314 B9R0.41 CCN(CC)C(F)C(=O)N 2230a_100000724800_100009813875 [0,1,0,0,0,0|3,0,0]=4 315 B9R0.41 CCN(CC)C(F)C(=O)N 269982a_100000724800_100009813875 [0,1,0,0,0,0|3,0,0]=4 316 B9R0.41 CCN(CF)C(C)C(=O)N 269982a_100020603310_100015361967 [0,1,0,0,0,0|3,0,0]=4 317 B9R0.79 CC(=O)C(C)N(C)C(C)C 269982a_200000211004_100009814033 [0,1,0,0,0,0|3,0,0]=4 318 B9R0.79 CC(=O)N(C)C(C)C(C)C 11a_100000228512_100015343762 [0,1,0,0,0,0|3,0,0]=4 319 B9R0.79 CC(=O)N(C)C(C)C(C)C 1626a_100000228512_100015343762 [0,1,0,0,0,0|3,0,0]=4 320 B9R0.79 CC(=O)N(C)C(C)C(C)C 240690a_100000228512_100015343762 [0,1,0,0,0,0|3,0,0]=4 321 B9R0.79 CC(=O)N(C)C(C)C(C)C 527a_100000228512_100103153847 [0,1,0,0,0,0|3,0,0]=4 322 B9R0.79 CC(C)N(C)C(C)C(=O)N 269982a_200000211004_100000184083 [0,1,0,0,0,0|3,0,0]=4 323 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,1,0,0,0,0|2,0,0]=3 324 B9R0.79 CC(C)N(C)C(F)C(=O)N 269982a_200000211004_100009813875 [0,1,0,0,0,0|3,0,0]=4 325 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,0,0,1,0,0|3,0,0]=4 326 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,0,0,1,0,0|3,0,0]=4 327 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,0,0,1,0,0|3,0,0]=4 328 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,0,0,1,0,0|3,0,0]=4 329 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,0,0,1,0,0|3,0,0]=4 330 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,0,0,1,0,0|3,0,0]=4 331 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,0,1,0,0|2,0,0]=3 332 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,0,0,1,0,0|3,0,0]=4 333 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,0,0,1,0,0|3,0,0]=4 334 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,0,0,1,0,0|3,0,0]=4 335 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,0,0,1,0,0|3,0,0]=4 336 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,0,0,1,0,0|3,0,0]=4 337 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,0,0,1,0,0|3,0,0]=4 338 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,0,1,0,0|2,0,0]=3 339 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,0,0,1,0,0|2,0,1]=4 340 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [0,0,0,1,0,0|3,0,0]=4 341 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,0,0,1,0,0|2,0,0]=3 342 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,0,0,1,0,0|3,0,0]=4 343 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,0,0,1,0,0|2,0,0]=3 344 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,0,0,1,0,0|3,0,0]=4 345 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,0,0,1,0,0|2,0,1]=4 346 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [0,0,0,1,0,0|3,0,0]=4 347 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,0,0,1,0,0|2,0,0]=3 348 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,0,0,1,0,0|2,0,0]=3 349 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,0,0,1,0,0|3,0,0]=4 350 B9R1.81 CCN(C)C1CCC1=O 269982a_100000225621_100009892977 [0,0,0,1,0,0|3,0,0]=4 351 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,0,0,1,0,0|2,0,0]=3 352 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,0,0,1,0,0|3,0,0]=4 353 B9R1.110 CC(=O)C(C)N1CCC1 269982a_100000754969_100009814033 [0,0,0,1,0,0|3,0,0]=4 354 B9R1.110 CC(=O)N(C)C1CCC1 11a_100000758072_100015343762 [0,0,0,1,0,0|3,0,0]=4 355 B9R1.110 CC(=O)N(C)C1CCC1 1626a_100000758072_100015343762 [0,0,0,1,0,0|3,0,0]=4 356 B9R1.110 CC(=O)N(C)C1CCC1 240690a_100000758072_100015343762 [0,0,0,1,0,0|3,0,0]=4 357 B9R1.110 CC(=O)N(C)C1CCC1 527a_100000758072_100103153847 [0,0,0,1,0,0|3,0,0]=4 358 B9R1.110 CC(C(=O)N)N1CCC1 269982a_100000754969_100000184083 [0,0,0,1,0,0|3,0,0]=4 359 B9R1.110 NC(=O)C(F)N1CCC1 269982a_100000754969_100009813875 [0,0,0,1,0,0|3,0,0]=4 360 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [0,0,0,0,0,1|2,0,1]=4 361 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [0,0,0,0,0,1|2,0,1]=4 362 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [0,0,0,0,0,1|1,0,2]=4 363 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000739694_100000758301 [0,0,0,0,0,1|3,0,0]=4 364 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000741768_100000747473 [0,0,0,0,0,1|3,0,0]=4 365 B9R0.23 CCC(C)N(C)CC(=O)N 269982a_100000741768_100000187820 [0,0,0,0,0,1|3,0,0]=4 366 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,0,0,0,0,1|2,0,0]=3 367 B9R0.23 CCC(C)N(C)CC(=O)[O-] 269982a_100000741768_100020667443 [0,0,0,0,0,1|2,0,1]=4 368 B9R0.23 CCN(C)C(C)CC(=O)C 1458a_200015187196_200000210301 [0,0,0,0,0,1|3,0,0]=4 369 B9R0.23 CCN(C)C(C)CC(=O)[13CH3] 1458a_200015187196_200025704644 [0,0,0,0,0,1|3,0,0]=4 370 B9R0.23 CCN(C)C(C)OC(=O)C 269982a_100000225621_100009818208 [0,0,0,0,0,1|3,0,0]=4 371 B9R0.23 COC(C)N(C)CC(=O)O 269956a_100000746989_100009879195 [0,0,0,0,0,1|3,0,0]=4 372 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [0,0,0,0,0,1|3,0,0]=4 373 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200000035995 [0,0,0,0,0,1|1,0,2]=4 374 B9R0.42 C=C(C)C(C)NC(C)CC 269862a_100000209981_100011216138 [0,0,0,0,0,1|3,0,0]=4 375 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [0,0,0,0,0,1|1,0,2]=4 376 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,0,0,0,0,1|3,0,0]=4 377 B9R0.42 CC(=O)C(C)OC(C)CF 7a_100016041109_100000179758 [0,0,0,0,0,1|3,0,0]=4 378 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,0,0,0,0,1|3,0,0]=4 379 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,0,0,0,0,1|3,0,0]=4 380 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,0,0,0,0,1|3,0,0]=4 381 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,0,0,0,0,1|3,0,0]=4 382 B9R0.42 CC(C#N)N[C@@H](C)C(=O)O 269956a_100000743915_100000184139 [0,0,0,0,0,1|2,0,1]=4 383 B9R0.42 CC(CF)OC(C)C(=O)N 34a_100016041109_100000702099 [0,0,0,0,0,1|3,0,0]=4 384 B9R0.42 CC(CF)OC(C)C(=O)N 7a_100016041109_100000702099 [0,0,0,0,0,1|3,0,0]=4 385 B9R0.42 CC(CF)OC(F)C(=O)N 34a_100016041109_100009813875 [0,0,0,0,0,1|3,0,0]=4 386 B9R0.42 CC(CF)OC(F)C(=O)N 7a_100016041109_100009813875 [0,0,0,0,0,1|3,0,0]=4 387 B9R0.42 CC(CF)OC(F)C(=O)[O-] 34a_100016041109_100020610796 [0,0,0,0,0,1|2,0,1]=4 388 B9R0.42 CC(CN)OC(C)C(=O)N 34a_100000210904_100000702099 [0,0,0,0,0,1|3,0,0]=4 389 B9R0.42 CC(CN)OC(F)C(=O)N 34a_100000210904_100009813875 [0,0,0,0,0,1|3,0,0]=4 390 B9R0.42 CC(CN)OC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,0,0,0,0,1|2,0,1]=4 391 B9R0.42 CC(CO)N[C@H](C)C(=O)N 2230a_100000119354_100012180447 [0,0,0,0,0,1|3,0,0]=4 392 B9R0.42 CC(CO)N[C@H](C)C(=O)N 34a_100000119354_100012180447 [0,0,0,0,0,1|3,0,0]=4 393 B9R0.42 CC(CO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100012180447 [0,0,0,0,0,1|2,0,1]=4 394 B9R0.42 CC(CO)O[C@H](C)C(=O)N 34a_100000731257_100012180447 [0,0,0,0,0,1|3,0,0]=4 395 B9R0.42 CC(CO)O[C@H](C)C(=O)N 7a_100000731257_100012180447 [0,0,0,0,0,1|3,0,0]=4 396 B9R0.42 CC(CO)SC(C)C(=O)N 62a_100012180447_100000702099 [0,0,0,0,0,1|3,0,0]=4 397 B9R0.42 CC(CO)SC(F)C(=O)N 62a_100012180447_100009813875 [0,0,0,0,0,1|3,0,0]=4 398 B9R0.42 CC(CO)SC(F)C(=O)[O-] 62a_100012180447_100020610796 [0,0,0,0,0,1|2,0,1]=4 399 B9R0.42 CC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000702099 [0,0,0,0,0,1|3,0,0]=4 400 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100000702099_100016084084 [0,0,0,0,0,1|3,0,0]=4 401 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000702099 [0,0,0,0,0,1|3,0,0]=4 402 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,0,0,0,0,1|3,0,0]=4 403 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,0,0,0,0,1|3,0,0]=4 404 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,0,0,0,0,1|3,0,0]=4 405 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,0,0,0,0,1|3,0,0]=4 406 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,0,0,0,0,1|2,0,1]=4 407 B9R0.42 CCC(C)NC(=O)C(=O)N 240690a_100000209981_100011215815 [0,0,0,0,0,1|2,0,1]=4 408 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,0,0,0,0,1|2,0,1]=4 409 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,0,0,0,0,1|2,0,0]=3 410 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,0,0,0,0,1|2,0,0]=3 411 B9R0.42 CCC(C)NC(F)C(=O)N 2230a_100000209981_100009813875 [0,0,0,0,0,1|2,0,0]=3 412 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,0,0,0,0,1|1,0,0]=2 413 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,0,0,0,0,1|2,0,0]=3 414 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,0,0,0,0,1|2,0,0]=3 415 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,0,0,0,0,1|2,0,0]=3 416 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,0,0,0,0,1|2,0,0]=3 417 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [0,0,0,0,0,1|2,0,0]=3 418 B9R0.42 CCC(C)OC(F)C(=O)N 7a_100000210228_100009813875 [0,0,0,0,0,1|2,0,0]=3 419 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [0,0,0,0,0,1|1,0,1]=3 420 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [0,0,0,0,0,1|2,0,0]=3 421 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [0,0,0,0,0,1|2,0,0]=3 422 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,0,0,0,0,1|2,0,0]=3 423 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,0,0,0,0,1|2,0,0]=3 424 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,0,0,0,0,1|2,0,0]=3 425 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,0,0,0,0,1|2,0,0]=3 426 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100000758301_100009813875 [0,0,0,0,0,1|2,0,0]=3 427 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100009813875_100000758301 [0,0,0,0,0,1|2,0,0]=3 428 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100000758301_100020610796 [0,0,0,0,0,1|1,0,1]=3 429 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000758301 [0,0,0,0,0,1|1,0,1]=3 430 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,0,0,0,0,1|3,0,0]=4 431 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,0,0,0,0,1|3,0,0]=4 432 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,0,0,0,0,1|2,0,0]=3 433 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009814033_100009879195 [0,0,0,0,0,1|3,0,0]=4 434 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009879195_100009814033 [0,0,0,0,0,1|3,0,0]=4 435 B9R0.42 COC(C)SC(C)C(=O)N 62a_100000702099_100009879195 [0,0,0,0,0,1|3,0,0]=4 436 B9R0.42 COC(C)SC(C)C(=O)N 62a_100009879195_100000702099 [0,0,0,0,0,1|3,0,0]=4 437 B9R0.42 COC(C)SC(F)C(=O)N 62a_100009813875_100009879195 [0,0,0,0,0,1|3,0,0]=4 438 B9R0.42 COC(C)SC(F)C(=O)N 62a_100009879195_100009813875 [0,0,0,0,0,1|3,0,0]=4 439 B9R0.42 COC(C)SC(F)C(=O)[O-] 62a_100009879195_100020610796 [0,0,0,0,0,1|2,0,1]=4 440 B9R0.42 COC(C)SC(F)C(=O)[O-] 62a_100020610796_100009879195 [0,0,0,0,0,1|2,0,1]=4 441 B9R0.42 C[C@H](CO)NC(F)C(=O)N 2230a_100000737577_100009813875 [0,0,0,0,0,1|3,0,0]=4 442 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,0,0,0,0,1|2,0,0]=3 443 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100009813875_100016084084 [0,0,0,0,0,1|3,0,0]=4 444 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100016084084_100009813875 [0,0,0,0,0,1|3,0,0]=4 445 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100016084084_100020610796 [0,0,0,0,0,1|2,0,1]=4 446 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100020610796_100016084084 [0,0,0,0,0,1|2,0,1]=4 447 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [2,0,0,0,0,0|2,0,0]=4 448 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [2,0,0,0,0,0|2,0,0]=4 449 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [2,0,0,0,0,0|2,0,0]=4 450 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [2,0,0,0,0,0|2,0,0]=4 451 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [2,0,0,0,0,0|2,0,0]=4 452 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [2,0,0,0,0,0|2,0,0]=4 453 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [2,0,0,0,0,0|2,0,0]=4 454 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [2,0,0,0,0,0|2,0,0]=4 455 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [2,0,0,0,0,0|2,0,0]=4 456 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [2,0,0,0,0,0|2,0,0]=4 457 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [2,0,0,0,0,0|1,0,1]=4 458 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [2,0,0,0,0,0|1,0,1]=4 459 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [2,0,0,0,0,0|2,0,0]=4 460 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [2,0,0,0,0,0|2,0,0]=4 461 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [2,0,0,0,0,0|2,0,0]=4 462 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [2,0,0,0,0,0|2,0,0]=4 463 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [2,0,0,0,0,0|2,0,0]=4 464 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [2,0,0,0,0,0|2,0,0]=4 465 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [2,0,0,0,0,0|2,0,0]=4 466 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [2,0,0,0,0,0|2,0,0]=4 467 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [2,0,0,0,0,0|2,0,0]=4 468 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [2,0,0,0,0,0|2,0,0]=4 469 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [2,0,0,0,0,0|2,0,0]=4 470 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [2,0,0,0,0,0|1,0,0]=3 471 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [2,0,0,0,0,0|1,0,0]=3 472 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [2,0,0,0,0,0|1,0,1]=4 473 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [2,0,0,0,0,0|1,0,1]=4 474 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [2,0,0,0,0,0|1,0,1]=4 475 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [2,0,0,0,0,0|1,0,1]=4 476 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [2,0,0,0,0,0|1,0,1]=4 477 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [2,0,0,0,0,0|1,0,1]=4 478 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [2,0,0,0,0,0|1,0,1]=4 479 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [2,0,0,0,0,0|1,0,1]=4 480 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [2,0,0,0,0,0|2,0,0]=4 481 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [2,0,0,0,0,0|2,0,0]=4 482 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [2,0,0,0,0,0|2,0,0]=4 483 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [2,0,0,0,0,0|2,0,0]=4 484 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [2,0,0,0,0,0|2,0,0]=4 485 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [2,0,0,0,0,0|2,0,0]=4 486 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [2,0,0,0,0,0|2,0,0]=4 487 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [2,0,0,0,0,0|2,0,0]=4 488 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [2,0,0,0,0,0|2,0,0]=4 489 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [2,0,0,0,0,0|2,0,0]=4 490 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [2,0,0,0,0,0|1,0,1]=4 491 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [2,0,0,0,0,0|1,0,1]=4 492 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [2,0,0,0,0,0|1,0,1]=4 493 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [2,0,0,0,0,0|1,0,1]=4 494 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [2,0,0,0,0,0|1,0,1]=4 495 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [2,0,0,0,0,0|1,0,1]=4 496 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [2,0,0,0,0,0|1,0,1]=4 497 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [2,0,0,0,0,0|1,0,1]=4 498 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [2,0,0,0,0,0|1,0,1]=4 499 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [2,0,0,0,0,0|1,0,1]=4 500 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [2,0,0,0,0,0|1,0,0]=3 501 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [2,0,0,0,0,0|1,0,0]=3 502 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [2,0,0,0,0,0|2,0,0]=4 503 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [2,0,0,0,0,0|2,0,0]=4 504 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [2,0,0,0,0,0|2,0,0]=4 505 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [2,0,0,0,0,0|2,0,0]=4 506 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [2,0,0,0,0,0|2,0,0]=4 507 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [2,0,0,0,0,0|2,0,0]=4 508 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [2,0,0,0,0,0|2,0,0]=4 509 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [2,0,0,0,0,0|2,0,0]=4 510 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [2,0,0,0,0,0|1,0,0]=3 511 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [2,0,0,0,0,0|2,0,0]=4 512 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [2,0,0,0,0,0|2,0,0]=4 513 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [2,0,0,0,0,0|2,0,0]=4 514 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [2,0,0,0,0,0|1,0,0]=3 515 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [2,0,0,0,0,0|2,0,0]=4 516 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [2,0,0,0,0,0|1,0,1]=4 517 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [2,0,0,0,0,0|2,0,0]=4 518 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [2,0,0,0,0,0|1,0,0]=3 519 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [2,0,0,0,0,0|2,0,0]=4 520 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [2,0,0,0,0,0|2,0,0]=4 521 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|2,0,0]=4 522 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|2,0,0]=4 523 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 524 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 525 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|2,0,0]=4 526 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|2,0,0]=4 527 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,0]=3 528 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,0]=3 529 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,0]=3 530 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 531 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 532 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 533 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|2,0,0]=4 534 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 535 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 536 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,0]=3 537 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|2,0,0]=4 538 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|2,0,0]=4 539 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 540 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|2,0,0]=4 541 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|1,0,1]=4 542 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|2,0,0]=4 543 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 544 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 545 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|2,0,0]=4 546 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|1,0,1]=4 547 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|1,0,1]=4 548 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|2,0,0]=4 549 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 550 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 551 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 552 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 553 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|2,0,0]=4 554 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|2,0,0]=4 555 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 556 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 557 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 558 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 559 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 560 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|2,0,0]=4 561 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|2,0,0]=4 562 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|2,0,0]=4 563 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|2,0,0]=4 564 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|2,0,0]=4 565 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 566 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 567 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|2,0,0]=4 568 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|2,0,0]=4 569 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 570 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 571 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 572 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 573 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 574 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [2,0,0,0,0,0|1,0,1]=4 575 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [2,0,0,0,0,0|1,0,1]=4 576 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [2,0,0,0,0,0|1,0,1]=4 577 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [2,0,0,0,0,0|1,0,1]=4 578 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [2,0,0,0,0,0|1,0,1]=4 579 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [2,0,0,0,0,0|2,0,0]=4 580 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [2,0,0,0,0,0|2,0,0]=4 581 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [2,0,0,0,0,0|1,0,1]=4 582 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [2,0,0,0,0,0|1,0,1]=4 583 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [2,0,0,0,0,0|1,0,1]=4 584 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [2,0,0,0,0,0|2,0,0]=4 585 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [2,0,0,0,0,0|1,0,1]=4 586 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [2,0,0,0,0,0|1,0,1]=4 587 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [2,0,0,0,0,0|1,0,1]=4 588 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [2,0,0,0,0,0|1,0,1]=4 589 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [2,0,0,0,0,0|1,0,1]=4 590 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [2,0,0,0,0,0|1,0,1]=4 591 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [2,0,0,0,0,0|1,0,1]=4 592 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [2,0,0,0,0,0|1,0,1]=4 593 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [2,0,0,0,0,0|1,0,1]=4 594 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [2,0,0,0,0,0|1,0,1]=4 595 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [2,0,0,0,0,0|1,0,1]=4 596 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [2,0,0,0,0,0|2,0,0]=4 597 B8R0.5 C#CCN(C)CC(=O)O 269956a_100000746989_100000184674 [1,1,0,0,0,0|1,0,1]=4 598 B8R0.5 C#CCN(C)CC(=O)O 269956a_100011236498_200000210301 [1,1,0,0,0,0|1,0,1]=4 599 B8R0.5 C#CCN([13CH3])CC(=O)O 269956a_100011236498_200025704644 [1,1,0,0,0,0|1,0,1]=4 600 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [1,1,0,0,0,0|1,0,1]=4 601 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [1,1,0,0,0,0|1,0,1]=4 602 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [1,1,0,0,0,0|1,0,1]=4 603 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,1,0,0,0,0|2,0,0]=4 604 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,1,0,0,0,0|2,0,0]=4 605 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|1,0,0]=3 606 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|1,0,0]=3 607 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|1,0,0]=3 608 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 609 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 610 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 611 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|2,0,0]=4 612 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [1,1,0,0,0,0|2,0,0]=4 613 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [1,1,0,0,0,0|2,0,0]=4 614 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [1,1,0,0,0,0|2,0,0]=4 615 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|1,0,0]=3 616 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [1,1,0,0,0,0|1,0,1]=4 617 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|1,0,0]=3 618 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|1,0,0]=3 619 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [1,1,0,0,0,0|2,0,0]=4 620 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [1,1,0,0,0,0|2,0,0]=4 621 B8R0.5 CN(CC#N)CC(=O)O 269956a_100000746989_100011215382 [1,1,0,0,0,0|1,0,1]=4 622 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [1,1,0,0,0,0|1,0,1]=4 623 B8R0.5 CN(CCF)CC(=O)N 2230a_100000739694_100011217306 [1,1,0,0,0,0|2,0,0]=4 624 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [1,1,0,0,0,0|1,0,0]=3 625 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [1,1,0,0,0,0|2,0,0]=4 626 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [1,1,0,0,0,0|2,0,0]=4 627 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [1,1,0,0,0,0|2,0,0]=4 628 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [1,1,0,0,0,0|1,0,0]=3 629 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [1,1,0,0,0,0|1,0,0]=3 630 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [1,1,0,0,0,0|1,0,1]=4 631 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|1,0,0]=3 632 B8R0.5 COCN(C)CC(=O)N 2230a_100000739694_100000766300 [1,1,0,0,0,0|2,0,0]=4 633 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [1,1,0,0,0,0|1,0,0]=3 634 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 635 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 636 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 637 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [1,1,0,0,0,0|2,0,0]=4 638 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [1,1,0,0,0,0|2,0,0]=4 639 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [1,1,0,0,0,0|1,0,0]=3 640 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [1,1,0,0,0,0|1,0,0]=3 641 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|1,0,0]=3 642 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [1,1,0,0,0,0|1,0,0]=3 643 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [1,1,0,0,0,0|2,0,0]=4 644 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [1,1,0,0,0,0|2,0,0]=4 645 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [1,1,0,0,0,0|2,0,0]=4 646 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [1,1,0,0,0,0|2,0,0]=4 647 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [1,1,0,0,0,0|2,0,0]=4 648 B8R0.16 CCN(CC)CC(=O)N 2230a_100000724800_100000747473 [1,1,0,0,0,0|2,0,0]=4 649 B8R0.16 CCN(CC)CC(=O)N 269956a_100000042499_100000187820 [1,1,0,0,0,0|2,0,0]=4 650 B8R0.16 CCN(CC)CC(=O)N 269982a_100000724800_100000187820 [1,1,0,0,0,0|2,0,0]=4 651 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [1,1,0,0,0,0|1,0,0]=3 652 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [1,1,0,0,0,0|2,0,0]=4 653 B8R0.16 CCN(CC)CC(=O)[O-] 269956a_100000042499_100020667443 [1,1,0,0,0,0|1,0,1]=4 654 B8R0.16 CCN(CC)CC(=O)[O-] 269982a_100000724800_100020667443 [1,1,0,0,0,0|1,0,1]=4 655 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [1,1,0,0,0,0|1,0,0]=3 656 B8R0.16 CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210202 [1,1,0,0,0,0|1,0,1]=4 657 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [1,1,0,0,0,0|2,0,0]=4 658 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [1,1,0,0,0,0|2,0,0]=4 659 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [1,1,0,0,0,0|0,0,0]=2 660 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [1,1,0,0,0,0|0,0,0]=2 661 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [1,1,0,0,0,0|1,0,0]=3 662 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [1,1,0,0,0,0|2,0,0]=4 663 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [1,1,0,0,0,0|2,0,0]=4 664 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [1,1,0,0,0,0|2,0,0]=4 665 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [1,1,0,0,0,0|1,0,0]=3 666 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [1,1,0,0,0,0|1,0,0]=3 667 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [1,1,0,0,0,0|2,0,0]=4 668 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [1,1,0,0,0,0|1,0,0]=3 669 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [1,1,0,0,0,0|2,0,0]=4 670 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [1,1,0,0,0,0|1,0,0]=3 671 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [1,1,0,0,0,0|2,0,0]=4 672 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [1,1,0,0,0,0|1,0,0]=3 673 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [1,1,0,0,0,0|2,0,0]=4 674 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [1,1,0,0,0,0|2,0,0]=4 675 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [1,1,0,0,0,0|2,0,0]=4 676 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [1,1,0,0,0,0|1,0,1]=4 677 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,1,0,0,0,0|1,0,1]=4 678 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,1,0,0,0,0|1,0,1]=4 679 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|1,0,0]=3 680 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|1,0,0]=3 681 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|2,0,0]=4 682 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|2,0,0]=4 683 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [1,1,0,0,0,0|2,0,0]=4 684 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [1,1,0,0,0,0|2,0,0]=4 685 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|1,0,0]=3 686 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|2,0,0]=4 687 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 688 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 689 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 690 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 691 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|1,0,0]=3 692 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|0,0,0]=2 693 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|1,0,0]=3 694 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 695 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 696 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 697 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [1,1,0,0,0,0|1,0,0]=3 698 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [1,1,0,0,0,0|1,0,0]=3 699 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,1,0,0,0,0|2,0,0]=4 700 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 701 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 702 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 703 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 704 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,1,0,0,0,0|2,0,0]=4 705 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|2,0,0]=4 706 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|1,0,0]=3 707 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|2,0,0]=4 708 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|2,0,0]=4 709 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [1,1,0,0,0,0|2,0,0]=4 710 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [1,1,0,0,0,0|2,0,0]=4 711 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 712 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 713 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 714 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 715 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,1,0,0,0,0|1,0,0]=3 716 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,1,0,0,0,0|1,0,0]=3 717 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,1,0,0,0,0|1,0,0]=3 718 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|0,0,0]=2 719 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|1,0,0]=3 720 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|1,0,0]=3 721 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|1,0,0]=3 722 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|1,0,0]=3 723 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|1,0,0]=3 724 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|1,0,0]=3 725 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|1,0,0]=3 726 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|1,0,0]=3 727 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [1,1,0,0,0,0|1,0,0]=3 728 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [1,1,0,0,0,0|2,0,0]=4 729 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [1,1,0,0,0,0|2,0,0]=4 730 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [1,1,0,0,0,0|2,0,0]=4 731 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [1,1,0,0,0,0|2,0,0]=4 732 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [1,1,0,0,0,0|2,0,0]=4 733 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [1,1,0,0,0,0|2,0,0]=4 734 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [1,1,0,0,0,0|2,0,0]=4 735 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [1,1,0,0,0,0|2,0,0]=4 736 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [1,1,0,0,0,0|2,0,0]=4 737 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [1,1,0,0,0,0|2,0,0]=4 738 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [1,1,0,0,0,0|2,0,0]=4 739 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [1,1,0,0,0,0|2,0,0]=4 740 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [1,1,0,0,0,0|1,0,0]=3 741 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [1,1,0,0,0,0|2,0,0]=4 742 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [1,1,0,0,0,0|1,0,1]=4 743 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [1,1,0,0,0,0|2,0,0]=4 744 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [1,1,0,0,0,0|2,0,0]=4 745 B8R0.34 CC(C)(CC(=O)N)N[13CH3] 2230a_100000763158_200025704644 [1,1,0,0,0,0|2,0,0]=4 746 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [1,1,0,0,0,0|1,0,0]=3 747 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [1,1,0,0,0,0|1,0,0]=3 748 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [1,1,0,0,0,0|1,0,0]=3 749 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [1,1,0,0,0,0|2,0,0]=4 750 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [1,1,0,0,0,0|2,0,0]=4 751 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [1,1,0,0,0,0|2,0,0]=4 752 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [1,1,0,0,0,0|2,0,0]=4 753 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [1,1,0,0,0,0|1,0,0]=3 754 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [1,1,0,0,0,0|1,0,0]=3 755 B8R0.34 CNC(C)(C)CC(=O)N 2230a_100000763158_200000210301 [1,1,0,0,0,0|2,0,0]=4 756 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [1,1,0,0,0,0|1,0,0]=3 757 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [1,1,0,0,0,0|2,0,0]=4 758 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [1,1,0,0,0,0|2,0,0]=4 759 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [1,1,0,0,0,0|2,0,0]=4 760 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [1,1,0,0,0,0|2,0,0]=4 761 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|2,0,0]=4 762 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|2,0,0]=4 763 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [1,1,0,0,0,0|2,0,0]=4 764 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|1,0,0]=3 765 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,1,0,0,0,0|2,0,0]=4 766 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,1,0,0,0,0|2,0,0]=4 767 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,1,0,0,0,0|2,0,0]=4 768 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,1,0,0,0,0|2,0,0]=4 769 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [1,1,0,0,0,0|2,0,0]=4 770 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [1,1,0,0,0,0|2,0,0]=4 771 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|2,0,0]=4 772 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [1,1,0,0,0,0|2,0,0]=4 773 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,1,0,0,0,0|2,0,0]=4 774 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,1,0,0,0,0|2,0,0]=4 775 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,1,0,0,0,0|2,0,0]=4 776 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,1,0,0,0,0|2,0,0]=4 777 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,1,0,0,0,0|2,0,0]=4 778 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,1,0,0,0,0|2,0,0]=4 779 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,1,0,0,0,0|2,0,0]=4 780 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,1,0,0,0,0|2,0,0]=4 781 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,1,0,0,0,0|2,0,0]=4 782 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,1,0,0,0,0|2,0,0]=4 783 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,1,0,0,0,0|2,0,0]=4 784 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,1,0,0,0,0|2,0,0]=4 785 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,1,0,0,0,0|2,0,0]=4 786 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [1,1,0,0,0,0|2,0,0]=4 787 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [1,1,0,0,0,0|1,0,0]=3 788 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [1,1,0,0,0,0|2,0,0]=4 789 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,1,0,0,0,0|2,0,0]=4 790 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,1,0,0,0,0|2,0,0]=4 791 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,1,0,0,0,0|2,0,0]=4 792 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [1,1,0,0,0,0|2,0,0]=4 793 B8R0.3 COCC(N)C(=O)NN 34a_100016989258_200000210301 [1,1,0,0,0,0|2,0,0]=4 794 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [1,1,0,0,0,0|1,0,0]=3 795 B8R0.3 [13CH3]OCC(N)C(=O)NN 34a_100016989258_200025704644 [1,1,0,0,0,0|2,0,0]=4 796 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [1,1,0,0,0,0|2,0,0]=4 797 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|2,0,0]=4 798 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|2,0,0]=4 799 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|2,0,0]=4 800 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|2,0,0]=4 801 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|2,0,0]=4 802 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,1,0,0,0,0|1,0,0]=3 803 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [1,1,0,0,0,0|2,0,0]=4 804 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [1,1,0,0,0,0|2,0,0]=4 805 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,1,0,0,0,0|2,0,0]=4 806 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [1,1,0,0,0,0|2,0,0]=4 807 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [1,1,0,0,0,0|2,0,0]=4 808 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [1,1,0,0,0,0|1,0,1]=4 809 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [1,1,0,0,0,0|1,0,1]=4 810 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [1,1,0,0,0,0|2,0,0]=4 811 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [1,1,0,0,0,0|2,0,0]=4 812 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,1,0,0,0,0|2,0,0]=4 813 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,1,0,0,0,0|2,0,0]=4 814 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [1,1,0,0,0,0|2,0,0]=4 815 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [1,1,0,0,0,0|2,0,0]=4 816 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [1,1,0,0,0,0|2,0,0]=4 817 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [1,1,0,0,0,0|2,0,0]=4 818 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [1,1,0,0,0,0|1,0,1]=4 819 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [1,1,0,0,0,0|1,0,1]=4 820 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,1,0,0,0,0|1,0,0]=3 821 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,1,0,0,0,0|1,0,0]=3 822 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,1,0,0,0,0|2,0,0]=4 823 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,1,0,0,0,0|2,0,0]=4 824 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [1,1,0,0,0,0|1,0,0]=3 825 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,1,0,0,0,0|2,0,0]=4 826 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,1,0,0,0,0|2,0,0]=4 827 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,1,0,0,0,0|2,0,0]=4 828 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,1,0,0,0,0|2,0,0]=4 829 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,1,0,0,0,0|2,0,0]=4 830 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,1,0,0,0,0|2,0,0]=4 831 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [1,1,0,0,0,0|2,0,0]=4 832 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [1,1,0,0,0,0|2,0,0]=4 833 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [1,1,0,0,0,0|2,0,0]=4 834 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [1,1,0,0,0,0|2,0,0]=4 835 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [1,1,0,0,0,0|2,0,0]=4 836 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [1,1,0,0,0,0|2,0,0]=4 837 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [1,1,0,0,0,0|2,0,0]=4 838 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [1,1,0,0,0,0|2,0,0]=4 839 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [1,1,0,0,0,0|2,0,0]=4 840 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,1,0,0,0,0|2,0,0]=4 841 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,1,0,0,0,0|2,0,0]=4 842 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,1,0,0,0,0|2,0,0]=4 843 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [1,1,0,0,0,0|2,0,0]=4 844 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [1,1,0,0,0,0|2,0,0]=4 845 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [1,1,0,0,0,0|2,0,0]=4 846 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [1,1,0,0,0,0|2,0,0]=4 847 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [1,1,0,0,0,0|1,0,0]=3 848 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [1,1,0,0,0,0|1,0,0]=3 849 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,0,0,0,0|0,0,0]=2 850 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [1,1,0,0,0,0|1,0,0]=3 851 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [1,1,0,0,0,0|1,0,0]=3 852 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,0,0,0,0|0,0,0]=2 853 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,1,0,0,0,0|2,0,0]=4 854 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,1,0,0,0,0|2,0,0]=4 855 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [1,1,0,0,0,0|1,0,0]=3 856 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [1,1,0,0,0,0|1,0,0]=3 857 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [1,1,0,0,0,0|1,0,0]=3 858 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [1,1,0,0,0,0|1,0,0]=3 859 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [1,1,0,0,0,0|1,0,0]=3 860 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [1,1,0,0,0,0|1,0,0]=3 861 B8R0.20 CCN(C)C(C=O)C=O 2230a_100000225621_100000736813 [1,1,0,0,0,0|2,0,0]=4 862 B8R0.20 CC[C@H](C)[C@@H](CO)NC 2230a_100011827617_200000210301 [1,1,0,0,0,0|0,0,1]=3 863 B8R0.20 CC[C@H](C)[C@@H](CO)N[13CH3] 2230a_100011827617_200025704644 [1,1,0,0,0,0|0,0,1]=3 864 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [1,1,0,0,0,0|2,0,0]=4 865 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [1,1,0,0,0,0|2,0,0]=4 866 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [1,1,0,0,0,0|0,0,0]=2 867 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [1,1,0,0,0,0|1,0,0]=3 868 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [1,1,0,0,0,0|2,0,0]=4 869 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [1,1,0,0,0,0|2,0,0]=4 870 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [1,1,0,0,0,0|1,0,0]=3 871 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [1,1,0,0,0,0|1,0,0]=3 872 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [1,1,0,0,0,0|1,0,0]=3 873 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [1,1,0,0,0,0|0,0,0]=2 874 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [1,1,0,0,0,0|2,0,0]=4 875 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [1,1,0,0,0,0|2,0,0]=4 876 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [1,1,0,0,0,0|2,0,0]=4 877 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [1,1,0,0,0,0|2,0,0]=4 878 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [1,1,0,0,0,0|2,0,0]=4 879 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [1,1,0,0,0,0|2,0,0]=4 880 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [1,1,0,0,0,0|2,0,0]=4 881 B10R0.32 CC(CCO)N(C)CC(=O)O 269956a_100000746989_100009893172 [0,1,0,0,0,1|2,0,0]=4 882 B10R0.32 CCCC(C)N(C)CC(=O)O 269956a_100000746989_100000766640 [0,1,0,0,0,1|2,0,0]=4 883 B10R0.32 COCC(C)N(C)CC(=O)O 269956a_100000746989_100000765312 [0,1,0,0,0,1|2,0,0]=4 884 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100000211351_100000758301 [0,1,0,0,0,1|1,0,1]=4 885 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100011192722_100000747449 [0,1,0,0,0,1|1,0,1]=4 886 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000198492_100000758301 [0,1,0,0,0,1|2,0,0]=4 887 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000741768_100000747449 [0,1,0,0,0,1|2,0,0]=4 888 B10R0.46 CCC(C)N(C)CC(=O)OC 269982a_100000741768_100000747449 [0,1,0,0,0,1|2,0,0]=4 889 B10R0.46 CCN(C)C(C)CC(=O)OC 2230a_100000225621_100009817358 [0,1,0,0,0,1|2,0,0]=4 890 B10R0.46 CCN(C)C(C)CC(=O)OC 269982a_100000225621_100009817358 [0,1,0,0,0,1|2,0,0]=4 891 B10R0.54 CCC(C)N(CC)CC(=O)O 269956a_100000746405_100000758301 [0,1,0,0,0,1|2,0,0]=4 892 B10R0.54 CC[C@H](C)[C@@H](CC(=O)O)NC 269956a_100020625877_200000210301 [0,1,0,0,0,1|0,0,0]=2 893 B10R0.54 CC[C@H](C)[C@@H](CC(=O)O)N[13CH3] 269956a_100020625877_200025704644 [0,1,0,0,0,1|0,0,0]=2 894 B10R0.54 CC[C@H](C)[C@@H](CO)NC(=O)C 240690a_100011827617_100015343762 [0,1,0,0,0,1|2,0,0]=4 895 B10R0.54 CC[C@H](C)[C@@H](CO)NC(=O)C 527a_100011827617_100103153847 [0,1,0,0,0,1|2,0,0]=4 896 B10R0.56 CCC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000758301 [0,1,0,0,0,1|2,0,0]=4 897 B10R0.63 CCC(C)(C)N(C)CC(=O)O 269956a_100000746989_100000032637 [0,1,0,0,0,1|2,0,0]=4 898 B10R0.144 CCC(CC)N(C)CC(=O)O 269956a_100000746989_100000210505 [0,1,0,0,0,1|2,0,0]=4 899 B10R0.26 CC(=O)C(C)N[C@H](C)CCO 2230a_100000706166_100009814033 [0,1,0,0,0,1|2,0,0]=4 900 B10R0.26 CC(=O)C(C)OC(C)CCO 34a_100000212229_100009893172 [0,1,0,0,0,1|2,0,0]=4 901 B10R0.26 CC(=O)C(C)SC(C)CCO 62a_100009814033_100009893172 [0,1,0,0,0,1|2,0,0]=4 902 B10R0.26 CC(=O)C(C)SC(C)CCO 62a_100009893172_100009814033 [0,1,0,0,0,1|2,0,0]=4 903 B10R0.26 CC(CC#N)N[C@@H](C)C(=O)O 269956a_100000743915_100009813641 [0,1,0,0,0,1|1,0,1]=4 904 B10R0.26 CC(CCBr)OC(C)C(=O)N 34a_100012276601_100000702099 [0,1,0,0,0,1|2,0,0]=4 905 B10R0.26 CC(CCBr)OC(F)C(=O)N 34a_100012276601_100009813875 [0,1,0,0,0,1|2,0,0]=4 906 B10R0.26 CC(CCBr)OC(F)C(=O)[O-] 34a_100012276601_100020610796 [0,1,0,0,0,1|1,0,1]=4 907 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,1,0,0,0,1|1,0,0]=3 908 B10R0.26 CC(CCO)N[C@H](C)C(=O)N 2230a_100000119354_100009893172 [0,1,0,0,0,1|2,0,0]=4 909 B10R0.26 CC(CCO)N[C@H](C)C(=O)N 34a_100000119354_100009893172 [0,1,0,0,0,1|2,0,0]=4 910 B10R0.26 CC(CCO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100009893172 [0,1,0,0,0,1|1,0,1]=4 911 B10R0.26 CC(CCO)O[C@H](C)C(=O)N 34a_100000731257_100009893172 [0,1,0,0,0,1|2,0,0]=4 912 B10R0.26 CC(CCO)O[C@H](C)C(=O)N 7a_100000731257_100009893172 [0,1,0,0,0,1|2,0,0]=4 913 B10R0.26 CC(CCO)SC(C)C(=O)N 62a_100000702099_100009893172 [0,1,0,0,0,1|2,0,0]=4 914 B10R0.26 CC(CCO)SC(C)C(=O)N 62a_100009893172_100000702099 [0,1,0,0,0,1|2,0,0]=4 915 B10R0.26 CC(CCO)SC(F)C(=O)N 62a_100009813875_100009893172 [0,1,0,0,0,1|2,0,0]=4 916 B10R0.26 CC(CCO)SC(F)C(=O)N 62a_100009893172_100009813875 [0,1,0,0,0,1|2,0,0]=4 917 B10R0.26 CC(CCO)SC(F)C(=O)[O-] 62a_100009893172_100020610796 [0,1,0,0,0,1|1,0,1]=4 918 B10R0.26 CC(CCO)SC(F)C(=O)[O-] 62a_100020610796_100009893172 [0,1,0,0,0,1|1,0,1]=4 919 B10R0.26 CC(N[C@H](C)CCO)C(=O)N 2230a_100000706166_100000702099 [0,1,0,0,0,1|2,0,0]=4 920 B10R0.26 CC(N[C@H](C)CCO)C(=O)N 34a_100000706166_100000702099 [0,1,0,0,0,1|2,0,0]=4 921 B10R0.26 CCCC(C)NC(C)C(=O)C 2230a_100000741246_100009814033 [0,1,0,0,0,1|2,0,0]=4 922 B10R0.26 CCCC(C)NC(C)C(=O)N 2230a_100000741246_100000702099 [0,1,0,0,0,1|2,0,0]=4 923 B10R0.26 CCCC(C)NC(F)C(=O)N 2230a_100000741246_100009813875 [0,1,0,0,0,1|2,0,0]=4 924 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,1,0,0,0,1|1,0,0]=3 925 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000766640 [0,1,0,0,0,1|2,0,0]=4 926 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000211909 [0,1,0,0,0,1|2,0,0]=4 927 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 34a_100000119354_100000766640 [0,1,0,0,0,1|2,0,0]=4 928 B10R0.26 CCCC(C)OC(C)C(=O)C 34a_100000212229_100000766640 [0,1,0,0,0,1|2,0,0]=4 929 B10R0.26 CCCC(C)OC(C)C(=O)C 7a_100000764384_100000179758 [0,1,0,0,0,1|2,0,0]=4 930 B10R0.26 CCCC(C)OC(C)C(=O)N 34a_100000764384_100000702099 [0,1,0,0,0,1|2,0,0]=4 931 B10R0.26 CCCC(C)OC(C)C(=O)N 7a_100000764384_100000702099 [0,1,0,0,0,1|2,0,0]=4 932 B10R0.26 CCCC(C)OC(F)C(=O)N 34a_100000764384_100009813875 [0,1,0,0,0,1|2,0,0]=4 933 B10R0.26 CCCC(C)OC(F)C(=O)N 7a_100000764384_100009813875 [0,1,0,0,0,1|2,0,0]=4 934 B10R0.26 CCCC(C)OC(F)C(=O)[O-] 34a_100000764384_100020610796 [0,1,0,0,0,1|1,0,1]=4 935 B10R0.26 CCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000766640 [0,1,0,0,0,1|1,0,1]=4 936 B10R0.26 CCCC(C)O[C@H](C)C(=O)N 34a_100000731257_100000766640 [0,1,0,0,0,1|2,0,0]=4 937 B10R0.26 CCCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000766640 [0,1,0,0,0,1|2,0,0]=4 938 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100000766640_100009814033 [0,1,0,0,0,1|2,0,0]=4 939 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100009814033_100000766640 [0,1,0,0,0,1|2,0,0]=4 940 B10R0.26 CCCC(C)SC(C)C(=O)N 62a_100000702099_100000766640 [0,1,0,0,0,1|2,0,0]=4 941 B10R0.26 CCCC(C)SC(C)C(=O)N 62a_100000766640_100000702099 [0,1,0,0,0,1|2,0,0]=4 942 B10R0.26 CCCC(C)SC(F)C(=O)N 62a_100000766640_100009813875 [0,1,0,0,0,1|2,0,0]=4 943 B10R0.26 CCCC(C)SC(F)C(=O)N 62a_100009813875_100000766640 [0,1,0,0,0,1|2,0,0]=4 944 B10R0.26 CCCC(C)SC(F)C(=O)[O-] 62a_100000766640_100020610796 [0,1,0,0,0,1|1,0,1]=4 945 B10R0.26 CCCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000766640 [0,1,0,0,0,1|1,0,1]=4 946 B10R0.26 COCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000765312 [0,1,0,0,0,1|1,0,0]=3 947 B10R0.26 COCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000765312 [0,1,0,0,0,1|2,0,0]=4 948 B10R0.26 COCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000749346 [0,1,0,0,0,1|2,0,0]=4 949 B10R0.26 COCC(C)N[C@H](C)C(=O)N 34a_100000119354_100000765312 [0,1,0,0,0,1|2,0,0]=4 950 B10R0.26 COCC(C)OC(C)C(=O)C 34a_100000212229_100000765312 [0,1,0,0,0,1|2,0,0]=4 951 B10R0.26 COCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000765312 [0,1,0,0,0,1|1,0,1]=4 952 B10R0.26 COCC(C)O[C@H](C)C(=O)N 34a_100000731257_100000765312 [0,1,0,0,0,1|2,0,0]=4 953 B10R0.26 COCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000765312 [0,1,0,0,0,1|2,0,0]=4 954 B10R0.26 COCC(C)SC(C)C(=O)C 62a_100000765312_100009814033 [0,1,0,0,0,1|2,0,0]=4 955 B10R0.26 COCC(C)SC(C)C(=O)C 62a_100009814033_100000765312 [0,1,0,0,0,1|2,0,0]=4 956 B10R0.26 COCC(C)SC(C)C(=O)N 62a_100000702099_100000765312 [0,1,0,0,0,1|2,0,0]=4 957 B10R0.26 COCC(C)SC(C)C(=O)N 62a_100000765312_100000702099 [0,1,0,0,0,1|2,0,0]=4 958 B10R0.26 COCC(C)SC(F)C(=O)N 62a_100000765312_100009813875 [0,1,0,0,0,1|2,0,0]=4 959 B10R0.26 COCC(C)SC(F)C(=O)N 62a_100009813875_100000765312 [0,1,0,0,0,1|2,0,0]=4 960 B10R0.26 COCC(C)SC(F)C(=O)[O-] 62a_100000765312_100020610796 [0,1,0,0,0,1|1,0,1]=4 961 B10R0.26 COCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000765312 [0,1,0,0,0,1|1,0,1]=4 962 B10R0.26 COC[C@@H](C)NC(C)C(=O)C 2230a_100000764878_100009814033 [0,1,0,0,0,1|2,0,0]=4 963 B10R0.26 COC[C@@H](C)NC(C)C(=O)N 2230a_100000764878_100000702099 [0,1,0,0,0,1|2,0,0]=4 964 B10R0.26 COC[C@@H](C)NC(F)C(=O)N 2230a_100000764878_100009813875 [0,1,0,0,0,1|2,0,0]=4 965 B10R0.26 COC[C@@H](C)OC(C)C(=O)N 34a_100011934205_100000702099 [0,1,0,0,0,1|2,0,0]=4 966 B10R0.26 COC[C@@H](C)OC(F)C(=O)N 34a_100011934205_100009813875 [0,1,0,0,0,1|2,0,0]=4 967 B10R0.26 COC[C@@H](C)OC(F)C(=O)[O-] 34a_100011934205_100020610796 [0,1,0,0,0,1|1,0,1]=4 968 B10R0.26 CSCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100011216314 [0,1,0,0,0,1|2,0,0]=4 969 B10R0.26 C[C@H](CCO)NC(F)C(=O)N 2230a_100000706166_100009813875 [0,1,0,0,0,1|2,0,0]=4 970 B10R0.26 C[C@H](CCO)NC(F)C(=O)N 34a_100000706166_100009813875 [0,1,0,0,0,1|2,0,0]=4 971 B10R0.26 C[C@H](CCO)NC(F)C(=O)[O-] 34a_100000706166_100020610796 [0,1,0,0,0,1|1,0,1]=4 972 B10R0.47 CCC(C)NC(C)(C)C(=O)N 2230a_100000209981_100000702505 [0,1,0,0,0,1|2,0,0]=4 973 B10R0.47 CCC(C)NC(C)(C)C(=O)N 2230a_100000743658_100000758301 [0,1,0,0,0,1|2,0,0]=4 974 B10R0.47 CCC(C)NC(C)(C)C(=O)N 34a_100000743658_100011215416 [0,1,0,0,0,1|2,0,0]=4 975 B10R0.47 CCC(C)OC(C)(C)C(=O)C 34a_100000747739_100011215416 [0,1,0,0,0,1|2,0,0]=4 976 B10R0.47 CCC(C)OC(C)(C)C(=O)C 7a_100000210228_100000075568 [0,1,0,0,0,1|2,0,0]=4 977 B10R0.47 CCC(C)OC(C)(C)C(=O)C 7a_100000747739_100000758301 [0,1,0,0,0,1|2,0,0]=4 978 B10R0.47 CCC(C)OC(C)(C)C(=O)N 34a_100011626353_100011215416 [0,1,0,0,0,1|2,0,0]=4 979 B10R0.47 CCC(C)OC(C)(C)C(=O)N 7a_100000210228_100000702505 [0,1,0,0,0,1|2,0,0]=4 980 B10R0.47 CCC(C)OC(C)(C)C(=O)N 7a_100011626353_100000758301 [0,1,0,0,0,1|2,0,0]=4 981 B10R0.47 CCC(C)OC(F)(F)C(=O)N 7a_100000210228_100009811971 [0,1,0,0,0,1|2,0,0]=4 982 B10R0.47 CCC(C)SC(C)(C)C(=O)C 62a_100000075568_100000758301 [0,1,0,0,0,1|2,0,0]=4 983 B10R0.47 CCC(C)SC(C)(C)C(=O)C 62a_100000758301_100000075568 [0,1,0,0,0,1|2,0,0]=4 984 B10R0.47 CCC(C)SC(C)(C)C(=O)N 62a_100000702505_100000758301 [0,1,0,0,0,1|2,0,0]=4 985 B10R0.47 CCC(C)SC(C)(C)C(=O)N 62a_100000758301_100000702505 [0,1,0,0,0,1|2,0,0]=4 986 B10R0.47 CCC(C)SC(F)(F)C(=O)N 62a_100000758301_100009811971 [0,1,0,0,0,1|2,0,0]=4 987 B10R0.47 CCC(C)SC(F)(F)C(=O)N 62a_100009811971_100000758301 [0,1,0,0,0,1|2,0,0]=4 988 B10R0.47 CCC(C)SC(F)(F)C(=O)[O-] 62a_100000745680_100000758301 [0,1,0,0,0,1|1,0,1]=4 989 B10R0.47 CCC(C)SC(F)(F)C(=O)[O-] 62a_100000758301_100000745680 [0,1,0,0,0,1|1,0,1]=4 990 B10R0.53 C=C[C@H](NC(C)CC)C(=O)O 269956a_100016992060_100000758301 [0,1,0,0,0,1|1,0,0]=3 991 B10R0.53 C=C[C@H](NC(C)OC)C(=O)O 269956a_100016992060_100009879195 [0,1,0,0,0,1|2,0,0]=4 992 B10R0.53 C=C[C@H](N[C@H](C)CO)C(=O)O 269956a_100016992060_100016084084 [0,1,0,0,0,1|2,0,0]=4 993 B10R0.53 CCC(C)NC(C#N)C(=O)N 2230a_100000039599_100000758301 [0,1,0,0,0,1|1,0,1]=4 994 B10R0.53 CCC(C)NC(CC)C(=O)N 2230a_100000209981_100000750255 [0,1,0,0,0,1|2,0,0]=4 995 B10R0.53 CCC(C)NC(CC)C(=O)N 2230a_100000733705_100000758301 [0,1,0,0,0,1|2,0,0]=4 996 B10R0.53 CCC(C)NC(CC)C(=O)N 34a_100000733705_100011215416 [0,1,0,0,0,1|2,0,0]=4 997 B10R0.53 CCC(C)NC(CO)C(=O)O 269956a_100000187304_100000758301 [0,1,0,0,0,1|1,0,0]=3 998 B10R0.53 CCC(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100000758301 [0,1,0,0,0,1|2,0,0]=4 999 B10R0.53 CCC(C)N[C@@H](CO)C(=O)N 34a_100000729942_100011215416 [0,1,0,0,0,1|2,0,0]=4 1000 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [0,1,0,0,0,1|1,0,0]=3 1001 B10R0.53 CCC(C)OC(CC)C(=O)N 7a_100000210228_100000750255 [0,1,0,0,0,1|2,0,0]=4 1002 B10R0.53 CCC(C)SC(CC)C(=O)N 62a_100000750255_100000758301 [0,1,0,0,0,1|2,0,0]=4 1003 B10R0.53 CCC(C)SC(CC)C(=O)N 62a_100000758301_100000750255 [0,1,0,0,0,1|2,0,0]=4 1004 B10R0.53 CC[C@@H](NC(C)OC)C(=O)O 269956a_100000747097_100009879195 [0,1,0,0,0,1|2,0,0]=4 1005 B10R0.53 CC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100000747097_100016084084 [0,1,0,0,0,1|2,0,0]=4 1006 B10R0.53 COC(C)NC(CO)C(=O)O 269956a_100000187304_100009879195 [0,1,0,0,0,1|2,0,0]=4 1007 B10R0.53 C[C@H](CO)NC(CO)C(=O)O 269956a_100000187304_100016084084 [0,1,0,0,0,1|2,0,0]=4 1008 B10R0.67 CCC(C)(C)NC(C)C(=O)C 2230a_100000211385_100009814033 [0,1,0,0,0,1|2,0,0]=4 1009 B10R0.67 CCC(C)(C)NC(C)C(=O)N 2230a_100000211385_100000702099 [0,1,0,0,0,1|2,0,0]=4 1010 B10R0.67 CCC(C)(C)NC(F)C(=O)N 2230a_100000211385_100009813875 [0,1,0,0,0,1|2,0,0]=4 1011 B10R0.67 CCC(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000032637 [0,1,0,0,0,1|1,0,0]=3 1012 B10R0.67 CCC(C)(C)OC(C)C(=O)C 7a_100000210230_100000179758 [0,1,0,0,0,1|2,0,0]=4 1013 B10R0.67 CCC(C)(C)OC(C)C(=O)N 7a_100000210230_100000702099 [0,1,0,0,0,1|2,0,0]=4 1014 B10R0.67 CCC(C)(C)OC(F)C(=O)N 7a_100000210230_100009813875 [0,1,0,0,0,1|2,0,0]=4 1015 B10R0.67 CCC(C)(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210677 [0,1,0,0,0,1|1,0,1]=4 1016 B10R0.67 CCC(C)(C)O[C@H](C)C(=O)N 7a_100000731257_100000210677 [0,1,0,0,0,1|2,0,0]=4 1017 B10R0.67 CCC(C)(C)SC(C)C(=O)C 62a_100000032637_100009814033 [0,1,0,0,0,1|2,0,0]=4 1018 B10R0.67 CCC(C)(C)SC(C)C(=O)C 62a_100009814033_100000032637 [0,1,0,0,0,1|2,0,0]=4 1019 B10R0.67 CCC(C)(C)SC(C)C(=O)N 62a_100000032637_100000702099 [0,1,0,0,0,1|2,0,0]=4 1020 B10R0.67 CCC(C)(C)SC(C)C(=O)N 62a_100000702099_100000032637 [0,1,0,0,0,1|2,0,0]=4 1021 B10R0.67 CCC(C)(C)SC(F)C(=O)N 62a_100000032637_100009813875 [0,1,0,0,0,1|2,0,0]=4 1022 B10R0.67 CCC(C)(C)SC(F)C(=O)N 62a_100009813875_100000032637 [0,1,0,0,0,1|2,0,0]=4 1023 B10R0.67 CCC(C)(C)SC(F)C(=O)[O-] 62a_100000032637_100020610796 [0,1,0,0,0,1|1,0,1]=4 1024 B10R0.67 CCC(C)(C)SC(F)C(=O)[O-] 62a_100020610796_100000032637 [0,1,0,0,0,1|1,0,1]=4 1025 B10R0.72 CCC(CC)NC(C)C(=O)C 2230a_100000199018_100009814033 [0,1,0,0,0,1|2,0,0]=4 1026 B10R0.72 CCC(CC)NC(C)C(=O)N 2230a_100000199018_100000702099 [0,1,0,0,0,1|2,0,0]=4 1027 B10R0.72 CCC(CC)NC(F)C(=O)N 2230a_100000199018_100009813875 [0,1,0,0,0,1|2,0,0]=4 1028 B10R0.72 CCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_100000210505 [0,1,0,0,0,1|1,0,0]=3 1029 B10R0.72 CCC(CC)N[C@H](C)C(=O)N 270004a_100000119354_100000210860 [0,1,0,0,0,1|2,0,0]=4 1030 B10R0.72 CCC(CC)OC(C)C(=O)C 7a_100000688536_100000179758 [0,1,0,0,0,1|2,0,0]=4 1031 B10R0.72 CCC(CC)OC(C)C(=O)N 7a_100000688536_100000702099 [0,1,0,0,0,1|2,0,0]=4 1032 B10R0.72 CCC(CC)OC(F)C(=O)N 7a_100000688536_100009813875 [0,1,0,0,0,1|2,0,0]=4 1033 B10R0.72 CCC(CC)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210505 [0,1,0,0,0,1|1,0,1]=4 1034 B10R0.72 CCC(CC)O[C@H](C)C(=O)N 7a_100000731257_100000210505 [0,1,0,0,0,1|2,0,0]=4 1035 B10R0.72 CCC(CC)SC(C)C(=O)C 62a_100000210505_100009814033 [0,1,0,0,0,1|2,0,0]=4 1036 B10R0.72 CCC(CC)SC(C)C(=O)C 62a_100009814033_100000210505 [0,1,0,0,0,1|2,0,0]=4 1037 B10R0.72 CCC(CC)SC(C)C(=O)N 62a_100000210505_100000702099 [0,1,0,0,0,1|2,0,0]=4 1038 B10R0.72 CCC(CC)SC(C)C(=O)N 62a_100000702099_100000210505 [0,1,0,0,0,1|2,0,0]=4 1039 B10R0.72 CCC(CC)SC(F)C(=O)N 62a_100000210505_100009813875 [0,1,0,0,0,1|2,0,0]=4 1040 B10R0.72 CCC(CC)SC(F)C(=O)N 62a_100009813875_100000210505 [0,1,0,0,0,1|2,0,0]=4 1041 B10R0.72 CCC(CC)SC(F)C(=O)[O-] 62a_100000210505_100020610796 [0,1,0,0,0,1|1,0,1]=4 1042 B10R0.72 CCC(CC)SC(F)C(=O)[O-] 62a_100020610796_100000210505 [0,1,0,0,0,1|1,0,1]=4 1043 B10R0.72 CC[C@@H](CO)NC(C)C(=O)C 2230a_100000709445_100009814033 [0,1,0,0,0,1|2,0,0]=4 1044 B10R0.72 CC[C@@H](CO)NC(C)C(=O)N 2230a_100000709445_100000702099 [0,1,0,0,0,1|2,0,0]=4 1045 B10R0.72 CC[C@@H](CO)NC(F)C(=O)N 2230a_100000709445_100009813875 [0,1,0,0,0,1|2,0,0]=4 1046 B10R0.93 CC(=O)C(C)NC(C)C(C)C 2230a_100000211541_100009814033 [0,1,0,0,0,1|2,0,0]=4 1047 B10R0.93 CC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009814033 [0,1,0,0,0,1|1,0,1]=4 1048 B10R0.93 CC(=O)C(C)OC(C)C(C)C 7a_100000748068_100000179758 [0,1,0,0,0,1|2,0,0]=4 1049 B10R0.93 CC(C)C(C)NC(F)C(=O)N 2230a_100000211541_100009813875 [0,1,0,0,0,1|2,0,0]=4 1050 B10R0.93 CC(C)C(C)OC(F)C(=O)N 7a_100000748068_100009813875 [0,1,0,0,0,1|2,0,0]=4 1051 B10R0.93 CC(NC(C)C(C)C)C(=O)N 2230a_100000211541_100000702099 [0,1,0,0,0,1|2,0,0]=4 1052 B10R0.93 CC(OC(C)C(C)C)C(=O)N 7a_100000748068_100000702099 [0,1,0,0,0,1|2,0,0]=4 1053 B10R0.25 CC(C(=O)O)N(CF)CCO 269956a_100011300695_100015361967 [0,2,0,0,0,0|2,0,0]=4 1054 B10R0.25 CCC[C@@H](NC)C(O)C(=O)N 2230a_200132311066_200000210301 [0,2,0,0,0,0|2,0,0]=4 1055 B10R0.25 CCC[C@@H](N[13CH3])C(O)C(=O)N 2230a_200132311066_200025704644 [0,2,0,0,0,0|2,0,0]=4 1056 B10R0.25 CCN(CCO)C(C)C(=O)O 269956a_100011300695_100000210202 [0,2,0,0,0,0|2,0,0]=4 1057 B10R0.35 CC(CCO)N(C)C(=O)CO 240690a_100000731037_100000210174 [0,2,0,0,0,0|2,0,0]=4 1058 B10R0.35 CC(CCO)N(C)C(=O)CO 527a_100000731037_100000210174 [0,2,0,0,0,0|2,0,0]=4 1059 B10R0.35 CCC(C)N(C)C(=O)CCO 240690a_100000741768_100011216618 [0,2,0,0,0,0|2,0,0]=4 1060 B10R0.35 CCC(C)N(C)C(=O)COC 11a_100000741768_100000210968 [0,2,0,0,0,0|2,0,0]=4 1061 B10R0.35 CCC(C)N(C)C(=O)COC 1626a_100000741768_100000210968 [0,2,0,0,0,0|2,0,0]=4 1062 B10R0.35 CCC(C)N(C)C(=O)COC 240690a_100000741768_100000210968 [0,2,0,0,0,0|2,0,0]=4 1063 B10R0.35 CCC(C)N(C)C(=O)COC 527a_100000741768_100000210968 [0,2,0,0,0,0|2,0,0]=4 1064 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210303 [0,2,0,0,0,0|2,0,0]=4 1065 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000747261_100000211248 [0,2,0,0,0,0|2,0,0]=4 1066 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210303 [0,2,0,0,0,0|2,0,0]=4 1067 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000747261_100000211248 [0,2,0,0,0,0|2,0,0]=4 1068 B10R0.35 CCN(C)C(C)C(=O)CCO 1458a_100011281945_100000211926 [0,2,0,0,0,0|2,0,0]=4 1069 B10R0.35 CCNC(C)C(=O)C(=O)OC 2230a_100015525214_100000692041 [0,2,0,0,0,0|1,0,1]=4 1070 B10R0.35 CCOC(=O)C(C)N(C)CC 2230a_100000225621_100011215307 [0,2,0,0,0,0|2,0,0]=4 1071 B10R0.35 CCOC(=O)C(C)N(C)CC 269982a_100000225621_100011216346 [0,2,0,0,0,0|2,0,0]=4 1072 B10R0.35 CCOC(=O)C(F)N(C)CC 2230a_100000225621_100000760018 [0,2,0,0,0,0|2,0,0]=4 1073 B10R0.35 CCOC(=O)C(F)N(C)CC 269982a_100000225621_100000760018 [0,2,0,0,0,0|2,0,0]=4 1074 B10R0.35 CCOC(C)C(=O)C(=O)OC 34a_100121572206_100000692041 [0,2,0,0,0,0|1,0,1]=4 1075 B10R0.35 CCO[C@H](C)[C@H](N)C(=O)NC 34a_100102634413_100000210202 [0,2,0,0,0,0|1,0,0]=3 1076 B10R0.35 CCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210202 [0,2,0,0,0,0|0,0,0]=2 1077 B10R0.35 CCSC(C)C(=O)C(=O)OC 62a_100000210202_100000692041 [0,2,0,0,0,0|1,0,1]=4 1078 B10R0.35 CCSC(C)C(=O)C(=O)OC 62a_100000692041_100000210202 [0,2,0,0,0,0|1,0,1]=4 1079 B10R0.35 CNC(=O)[C@@H](N)[C@@H](C)OCF 34a_100102634413_100015361967 [0,2,0,0,0,0|2,0,0]=4 1080 B10R0.35 COC(=O)C(C)N(C)CCF 2230a_100000725243_100011217306 [0,2,0,0,0,0|2,0,0]=4 1081 B10R0.35 COC(=O)C(C)N(C)CCF 269982a_100000725243_100011217306 [0,2,0,0,0,0|2,0,0]=4 1082 B10R0.35 COC(=O)C(C)N(C)CCO 2230a_100000210263_100000211248 [0,2,0,0,0,0|2,0,0]=4 1083 B10R0.35 COC(=O)C(C)N(C)CCO 2230a_100000725243_100000211926 [0,2,0,0,0,0|2,0,0]=4 1084 B10R0.35 COC(=O)C(C)N(C)CCO 269982a_100000210263_100000211248 [0,2,0,0,0,0|2,0,0]=4 1085 B10R0.35 COC(=O)C(C)N(C)CCO 269982a_100000725243_100000211926 [0,2,0,0,0,0|2,0,0]=4 1086 B10R0.35 COC(=O)C(C)N(C)CSC 2230a_100000725243_100011218213 [0,2,0,0,0,0|2,0,0]=4 1087 B10R0.35 COC(=O)C(C)N(C)CSC 269982a_100000725243_100011218213 [0,2,0,0,0,0|2,0,0]=4 1088 B10R0.35 COC(=O)[C@@H](N)[C@@H](C)OCF 34a_100000004424_100015361967 [0,2,0,0,0,0|1,0,0]=3 1089 B10R0.35 COCN(C)C(C)C(=O)OC 2230a_100000725243_100000766300 [0,2,0,0,0,0|2,0,0]=4 1090 B10R0.35 COCN(C)C(C)C(=O)OC 269982a_100000725243_100000766300 [0,2,0,0,0,0|2,0,0]=4 1091 B10R0.81 C#CCCN(C)C(C)C(=O)O 269956a_100000749554_100000688953 [0,2,0,0,0,0|2,0,0]=4 1092 B10R0.81 C#CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000184674 [0,2,0,0,0,0|1,0,1]=4 1093 B10R0.81 C/C=C/CN(C)C(C)C(=O)O 269956a_100000749554_100102629194 [0,2,0,0,0,0|2,0,0]=4 1094 B10R0.81 C=CCCN(C)C(C)C(=O)O 269956a_100000749554_100000754431 [0,2,0,0,0,0|2,0,0]=4 1095 B10R0.81 C=CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100015514636 [0,2,0,0,0,0|1,0,1]=4 1096 B10R0.81 CC#CCN(C)C(C)C(=O)O 269956a_100000749554_100000748600 [0,2,0,0,0,0|2,0,0]=4 1097 B10R0.81 CC(C(=O)O)N(C)CCC#N 269956a_100000749554_100011215226 [0,2,0,0,0,0|2,0,0]=4 1098 B10R0.81 CC(C(=O)O)N(C)CCC#N 269956a_100011782742_200000210301 [0,2,0,0,0,0|2,0,0]=4 1099 B10R0.81 CC(C(=O)O)N(C)CCCF 269956a_100000749554_100011934791 [0,2,0,0,0,0|2,0,0]=4 1100 B10R0.81 CC(C(=O)O)N(C)CCCO 269956a_100000749554_100011215043 [0,2,0,0,0,0|2,0,0]=4 1101 B10R0.81 CC(C(=O)O)N([13CH3])CCC#N 269956a_100011782742_200025704644 [0,2,0,0,0,0|2,0,0]=4 1102 B10R0.81 CCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210211 [0,2,0,0,0,0|2,0,0]=4 1103 B10R0.81 CCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210303 [0,2,0,0,0,0|1,0,0]=3 1104 B10R0.81 CCOCN(C)C(C)C(=O)O 269956a_100000749554_100000739092 [0,2,0,0,0,0|2,0,0]=4 1105 B10R0.81 COCCN(C)C(C)C(=O)O 269956a_100000749554_100000233755 [0,2,0,0,0,0|2,0,0]=4 1106 B10R0.81 CSCCN(C)C(C)C(=O)O 269956a_100000749554_100000212216 [0,2,0,0,0,0|2,0,0]=4 1107 B10R0.81 CSCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100011218213 [0,2,0,0,0,0|1,0,0]=3 1108 B10R0.81 C[C@@H](OCC=O)[C@H](N)C(=O)N 34a_100000003557_200009817547 [0,2,0,0,0,0|1,0,1]=4 1109 B10R0.81 C[C@@H](OCCF)[C@H](N)C(=O)N 34a_100000003557_100011217306 [0,2,0,0,0,0|1,0,0]=3 1110 B10R0.81 C[C@@H](OCCO)[C@H](N)C(=O)N 34a_100000003557_100000211926 [0,2,0,0,0,0|1,0,0]=3 1111 B10R0.101 CCCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210207 [0,2,0,0,0,0|2,0,0]=4 1112 B10R0.101 CN(CCF)[C@@H](CO)C(=O)O 269956a_100015362447_100011217306 [0,2,0,0,0,0|2,0,0]=4 1113 B10R0.101 CN(CCO)[C@@H](CO)C(=O)O 269956a_100015362447_100000211926 [0,2,0,0,0,0|2,0,0]=4 1114 B10R0.101 COCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000766300 [0,2,0,0,0,0|2,0,0]=4 1115 B10R0.101 CSCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100011218213 [0,2,0,0,0,0|2,0,0]=4 1116 B10R0.39 CCC(C)(C)N(C)C(=O)CO 240690a_200000755171_100000210174 [0,2,0,0,0,0|2,0,0]=4 1117 B10R0.39 CCC(C)(C)N(C)C(=O)CO 527a_200000755171_100000210174 [0,2,0,0,0,0|2,0,0]=4 1118 B10R0.154 CC(C(=O)O)N(C)C(C)(C)C 269956a_100000749554_100000211941 [0,2,0,0,0,0|2,0,0]=4 1119 B10R0.38 CCC(CC)N(C)C(=O)CO 240690a_100000737045_100000210174 [0,2,0,0,0,0|2,0,0]=4 1120 B10R0.38 CCC(CC)N(C)C(=O)CO 527a_100000737045_100000210174 [0,2,0,0,0,0|2,0,0]=4 1121 B10R0.38 CCN(CC)C(C)C(=O)OC 2230a_100000724800_100000211248 [0,2,0,0,0,0|2,0,0]=4 1122 B10R0.38 CCN(CC)C(C)C(=O)OC 269982a_100000724800_100000211248 [0,2,0,0,0,0|2,0,0]=4 1123 B10R0.51 CCC(=O)C(NC)C(=O)OC 7a_106832991635_100000056495 [0,2,0,0,0,0|1,0,1]=4 1124 B10R0.51 CCC(C(=O)OC)N(C)CC 2230a_100000225621_100000235869 [0,2,0,0,0,0|2,0,0]=4 1125 B10R0.51 CCC(C(=O)OC)N(C)CC 2230a_100000709176_100000210202 [0,2,0,0,0,0|2,0,0]=4 1126 B10R0.51 CCC(C(=O)OC)N(C)CC 269982a_100000225621_100000235869 [0,2,0,0,0,0|2,0,0]=4 1127 B10R0.51 CCC(C(=O)OC)N(C)CC 269982a_100000709176_100000204670 [0,2,0,0,0,0|2,0,0]=4 1128 B10R0.51 CCC(C)N(CC)C(=O)CO 240690a_100000732650_100000210174 [0,2,0,0,0,0|2,0,0]=4 1129 B10R0.51 CCC(C)N(CC)C(=O)CO 527a_100000732650_100000210174 [0,2,0,0,0,0|2,0,0]=4 1130 B10R0.142 CCN(C)C(C)(C)C(=O)OC 2230a_100000225621_100000689032 [0,2,0,0,0,0|2,0,0]=4 1131 B10R0.142 CCN(C)C(C)(F)C(=O)OC 2230a_100000225621_200009867631 [0,2,0,0,0,0|2,0,0]=4 1132 B10R0.142 CCN(C)C(F)(F)C(=O)OC 269982a_100000225621_100000211177 [0,2,0,0,0,0|2,0,0]=4 1133 B10R0.30 CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210202 [0,2,0,0,0,0|0,0,0]=2 1134 B10R0.30 CCN[C@H](C(=O)N)[C@@H](C)CC 2230a_100000758034_100000210202 [0,2,0,0,0,0|1,0,0]=3 1135 B10R0.30 CCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210202 [0,2,0,0,0,0|1,0,0]=3 1136 B10R0.30 CC[C@H](C)[C@@H](NCF)C(=O)O 269956a_100009815163_100015361967 [0,2,0,0,0,0|0,0,0]=2 1137 B10R0.30 CO[C@H](C)[C@H](NCF)C(=O)O 269956a_100015335849_100015361967 [0,2,0,0,0,0|1,0,0]=3 1138 B10R0.76 CC(C)N(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210206 [0,2,0,0,0,0|2,0,0]=4 1139 B10R0.118 CCC(C)C(C(=O)O)N(C)C 269956a_100000694001_200000210301 [0,2,0,0,0,0|0,0,0]=2 1140 B10R0.118 CCC(C)C(C(=O)O)N(C)[13CH3] 269956a_100000694001_200025704644 [0,2,0,0,0,0|0,0,0]=2 1141 B10R0.118 CCN(C)[C@H](C(=O)O)C(C)C 269956a_100015941355_100000210202 [0,2,0,0,0,0|2,0,0]=4 1142 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [1,0,0,1,0,0|2,0,0]=4 1143 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [1,0,0,1,0,0|2,0,0]=4 1144 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,0,0,1,0,0|2,0,0]=4 1145 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|2,0,0]=4 1146 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [1,0,0,1,0,0|2,0,0]=4 1147 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,1,0,0|2,0,0]=4 1148 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,0,0,1,0,0|2,0,0]=4 1149 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [1,0,0,1,0,0|2,0,0]=4 1150 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|2,0,0]=4 1151 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [1,0,0,1,0,0|2,0,0]=4 1152 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,0,0,1,0,0|2,0,0]=4 1153 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [1,0,0,1,0,0|2,0,0]=4 1154 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|1,0,0]=3 1155 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [1,0,0,1,0,0|2,0,0]=4 1156 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|1,0,0]=3 1157 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 1158 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 1159 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|2,0,0]=4 1160 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|1,0,0]=3 1161 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|1,0,0]=3 1162 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|1,0,0]=3 1163 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|1,0,0]=3 1164 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|2,0,0]=4 1165 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|2,0,0]=4 1166 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|2,0,0]=4 1167 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 1168 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 1169 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 1170 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|2,0,0]=4 1171 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [1,0,0,1,0,0|2,0,0]=4 1172 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [1,0,0,1,0,0|1,0,1]=4 1173 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|1,0,0]=3 1174 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|2,0,0]=4 1175 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [1,0,0,1,0,0|1,0,0]=3 1176 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [1,0,0,1,0,0|2,0,0]=4 1177 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [1,0,0,1,0,0|2,0,0]=4 1178 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [1,0,0,1,0,0|2,0,0]=4 1179 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [1,0,0,1,0,0|2,0,0]=4 1180 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [1,0,0,1,0,0|2,0,0]=4 1181 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [1,0,0,1,0,0|1,0,0]=3 1182 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|1,0,0]=3 1183 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|1,0,0]=3 1184 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|2,0,0]=4 1185 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|2,0,0]=4 1186 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|2,0,0]=4 1187 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|2,0,0]=4 1188 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|2,0,0]=4 1189 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|2,0,0]=4 1190 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|2,0,0]=4 1191 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [1,0,0,1,0,0|2,0,0]=4 1192 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [1,0,0,1,0,0|2,0,0]=4 1193 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [1,0,0,1,0,0|2,0,0]=4 1194 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [1,0,0,1,0,0|2,0,0]=4 1195 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [1,0,0,1,0,0|2,0,0]=4 1196 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [1,0,0,1,0,0|2,0,0]=4 1197 B8R1.11 CO[C@H]1COC[C@@H]1N 34a_100015191717_200000210301 [1,0,0,1,0,0|1,0,1]=4 1198 B8R1.11 [13CH3]O[C@H]1COC[C@@H]1N 34a_100015191717_200025704644 [1,0,0,1,0,0|1,0,1]=4 1199 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [1,0,0,1,0,0|2,0,0]=4 1200 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [1,0,0,1,0,0|2,0,0]=4 1201 B10R1.266 CC(=O)NC(C)C1CCC1 11a_100016994624_100015343762 [0,0,0,1,0,1|2,0,0]=4 1202 B10R1.266 CC(=O)NC(C)C1CCC1 1626a_100016994624_100015343762 [0,0,0,1,0,1|2,0,0]=4 1203 B10R1.266 CC(=O)NC(C)C1CCC1 240690a_100016994624_100015343762 [0,0,0,1,0,1|2,0,0]=4 1204 B10R1.266 CC(=O)NC(C)C1CCC1 527a_100016994624_100103153847 [0,0,0,1,0,1|2,0,0]=4 1205 B10R1.266 CN(CC(=O)O)C1CCC1 269956a_100000746989_100000749161 [0,0,0,1,0,1|2,0,0]=4 1206 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,0,0,1,0,1|2,0,0]=4 1207 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,0,0,1,0,1|2,0,0]=4 1208 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,0,1,0,1|2,0,0]=4 1209 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,0,1,0,1|2,0,0]=4 1210 B10R1.116 CC(=O)C(C)N1CCC1C 269982a_100000755817_100009814033 [0,0,0,1,0,1|2,0,0]=4 1211 B10R1.116 CC1CCN1C(C)C(=O)N 269982a_100000755817_100000184083 [0,0,0,1,0,1|2,0,0]=4 1212 B10R1.116 CC1CCN1C(C)C(=O)N 34a_100000755817_100000702099 [0,0,0,1,0,1|2,0,0]=4 1213 B10R1.116 CC1CCN1C(F)C(=O)N 269982a_100000755817_100009813875 [0,0,0,1,0,1|2,0,0]=4 1214 B10R1.116 CC1CCN1C(F)C(=O)N 34a_100000755817_100009813875 [0,0,0,1,0,1|2,0,0]=4 1215 B10R1.116 CC1CCN1C(F)C(=O)[O-] 34a_100000755817_100020610796 [0,0,0,1,0,1|1,0,1]=4 1216 B10R1.203 CC(=O)C(C)NC1(CC1)C 2230a_100000757604_100009814033 [0,0,0,1,0,1|2,0,0]=4 1217 B10R1.203 CC(=O)C(C)OC1(CC1)C 7a_100011725673_100000179758 [0,0,0,1,0,1|2,0,0]=4 1218 B10R1.203 CC(NC1(CC1)C)C(=O)N 2230a_100000757604_100000702099 [0,0,0,1,0,1|2,0,0]=4 1219 B10R1.203 CC(OC1(CC1)C)C(=O)N 7a_100011725673_100000702099 [0,0,0,1,0,1|2,0,0]=4 1220 B10R1.203 CC1(CC1)NC(F)C(=O)N 2230a_100000757604_100009813875 [0,0,0,1,0,1|2,0,0]=4 1221 B10R1.203 CC1(CC1)OC(F)C(=O)N 7a_100011725673_100009813875 [0,0,0,1,0,1|2,0,0]=4 1222 B10R1.204 CC(=O)C(C)NC1CCC1 2230a_100000749019_100009814033 [0,0,0,1,0,1|2,0,0]=4 1223 B10R1.204 CC(=O)C(C)OC1CCC1 34a_100000212229_100000749161 [0,0,0,1,0,1|2,0,0]=4 1224 B10R1.204 CC(=O)C(C)SC1CCC1 62a_100009814033_100000749161 [0,0,0,1,0,1|2,0,0]=4 1225 B10R1.204 CC(NC1CCC1)C(=O)N 2230a_100000749019_100000702099 [0,0,0,1,0,1|2,0,0]=4 1226 B10R1.204 CC(NC1CCC1)C(=O)N 34a_100000749019_100000702099 [0,0,0,1,0,1|2,0,0]=4 1227 B10R1.204 CC(OC1CCC1)C(=O)N 34a_100000748187_100000702099 [0,0,0,1,0,1|2,0,0]=4 1228 B10R1.204 CC(SC1CCC1)C(=O)N 62a_100000702099_100000749161 [0,0,0,1,0,1|2,0,0]=4 1229 B10R1.204 C[C@@H](NC1CCC1)C(=O)N 270004a_100000119354_100000241760 [0,0,0,1,0,1|2,0,0]=4 1230 B10R1.204 C[C@@H](NC1CCC1)C(=O)N 34a_100000119354_100000749161 [0,0,0,1,0,1|2,0,0]=4 1231 B10R1.204 C[C@@H](OC1CCC1)C(=O)N 34a_100000731257_100000749161 [0,0,0,1,0,1|2,0,0]=4 1232 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,0,0,1,0,1|1,0,0]=3 1233 B10R1.204 C[C@H](NC1COC1)C(=O)O 269956a_100000743915_100009818527 [0,0,0,1,0,1|2,0,0]=4 1234 B10R1.204 NC(=O)C(F)NC1CCC1 2230a_100000749019_100009813875 [0,0,0,1,0,1|2,0,0]=4 1235 B10R1.204 NC(=O)C(F)NC1CCC1 34a_100000749019_100009813875 [0,0,0,1,0,1|2,0,0]=4 1236 B10R1.204 NC(=O)C(F)OC1CCC1 34a_100000748187_100009813875 [0,0,0,1,0,1|2,0,0]=4 1237 B10R1.204 NC(=O)C(F)SC1CCC1 62a_100009813875_100000749161 [0,0,0,1,0,1|2,0,0]=4 1238 B10R1.204 O=C([O-])C(F)NC1CCC1 34a_100000749019_100020610796 [0,0,0,1,0,1|1,0,1]=4 1239 B10R1.204 O=C([O-])C(F)OC1CCC1 34a_100000748187_100020610796 [0,0,0,1,0,1|1,0,1]=4 1240 B10R1.204 O=C([O-])C(F)SC1CCC1 62a_100020610796_100000749161 [0,0,0,1,0,1|1,0,1]=4 1241 B10R1.463 CCC(C)OC1CCC1=O 7a_100000210228_100009892977 [0,0,0,1,0,1|2,0,0]=4 1242 B10R1.463 CCC(C)SC1CCC1=O 62a_100000758301_100009892977 [0,0,0,1,0,1|2,0,0]=4 1243 B10R1.463 CCC(C)SC1CCC1=O 62a_100009892977_100000758301 [0,0,0,1,0,1|2,0,0]=4 1244 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [0,1,0,1,0,0|2,0,0]=4 1245 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [0,1,0,1,0,0|2,0,0]=4 1246 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [0,1,0,1,0,0|2,0,0]=4 1247 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [0,1,0,1,0,0|2,0,0]=4 1248 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,1,0,1,0,0|2,0,0]=4 1249 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,1,0,1,0,0|2,0,0]=4 1250 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,1,0,1,0,0|2,0,0]=4 1251 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,1,0,1,0,0|2,0,0]=4 1252 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,1,0,1,0,0|2,0,0]=4 1253 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [0,1,0,1,0,0|2,0,0]=4 1254 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,1,0,1,0,0|2,0,0]=4 1255 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,1,0,1,0,0|2,0,0]=4 1256 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,1,0,1,0,0|2,0,0]=4 1257 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [0,1,0,1,0,0|2,0,0]=4 1258 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,1,0,1,0,0|2,0,0]=4 1259 B10R1.86 COCN1CCC1C(=O)O 269956a_100000021838_100000766300 [0,1,0,1,0,0|2,0,0]=4 1260 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [0,1,0,1,0,0|2,0,0]=4 1261 B10R1.86 O=C(O)C1CCN1CCF 269956a_100000021838_100011217306 [0,1,0,1,0,0|2,0,0]=4 1262 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [0,1,0,1,0,0|2,0,0]=4 1263 B10R1.278 CC(C(=O)O)N(C)C1CC1 269956a_100000749554_100000211595 [0,1,0,1,0,0|2,0,0]=4 1264 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,1,0,1,0,0|2,0,0]=4 1265 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,1,0,1,0,0|2,0,0]=4 1266 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,1,0,1,0,0|2,0,0]=4 1267 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,1,0,1,0,0|2,0,0]=4 1268 B10R1.149 CCN(C)C1CCOC1=O 2230a_100000225621_100000211211 [0,1,0,1,0,0|2,0,0]=4 1269 B10R1.149 CCN(C)C1CCOC1=O 269982a_100000225621_100000211211 [0,1,0,1,0,0|2,0,0]=4 1270 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [0,1,0,1,0,0|2,0,0]=4 1271 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [0,1,0,1,0,0|2,0,0]=4 1272 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [0,1,0,1,0,0|2,0,0]=4 1273 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [0,1,0,1,0,0|2,0,0]=4 1274 B10R1.149 COC(=O)C1SCCN1C 2230a_100015296106_200000210301 [0,1,0,1,0,0|2,0,0]=4 1275 B10R1.149 COC(=O)C1SCCN1C 269982a_100015296106_200000210301 [0,1,0,1,0,0|2,0,0]=4 1276 B10R1.149 COC(=O)C1SCCN1[13CH3] 2230a_100015296106_200025704644 [0,1,0,1,0,0|2,0,0]=4 1277 B10R1.149 COC(=O)C1SCCN1[13CH3] 269982a_100015296106_200025704644 [0,1,0,1,0,0|2,0,0]=4 1278 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,1,0,1,0,0|2,0,0]=4 1279 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,1,0,1,0,0|2,0,0]=4 1280 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,1,0,1,0,0|2,0,0]=4 1281 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,1,0,1,0,0|2,0,0]=4 1282 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,1,0,1,0,0|2,0,0]=4 1283 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,1,0,1,0,0|2,0,0]=4 1284 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,1,0,1,0,0|2,0,0]=4 1285 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,1,0,1,0,0|2,0,0]=4 1286 B10R1.175 CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210202 [0,1,0,1,0,0|2,0,0]=4 1287 B10R1.175 CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000204670 [0,1,0,1,0,0|2,0,0]=4 1288 B10R1.182 CN(C(=O)CO)C1CCC1 240690a_100000758072_100000210174 [0,1,0,1,0,0|2,0,0]=4 1289 B10R1.182 CN(C(=O)CO)C1CCC1 527a_100000758072_100000210174 [0,1,0,1,0,0|2,0,0]=4 1290 B10R1.182 COC(=O)C(C)N1CCC1 269982a_100000754969_100000211248 [0,1,0,1,0,0|2,0,0]=4 1291 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [0,1,0,1,0,0|2,0,0]=4 1292 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,1,0,1,0,0|2,0,0]=4 1293 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [0,1,0,1,0,0|2,0,0]=4 1294 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [0,1,0,1,0,0|2,0,0]=4 1295 B10R1.39 O=C(O)C1SCCN1CF 269956a_100000035718_100015361967 [0,1,0,1,0,0|2,0,0]=4 1296 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [0,1,0,1,0,0|2,0,0]=4 1297 B10R1.219 CNC(C(=O)O)C1CCC1 269956a_100000765838_200000210301 [0,1,0,1,0,0|0,0,0]=2 1298 B10R1.219 [13CH3]NC(C(=O)O)C1CCC1 269956a_100000765838_200025704644 [0,1,0,1,0,0|0,0,0]=2 1299 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [0,1,0,1,0,0|2,0,0]=4 1300 B10R2.638 CC(=O)C1CC12CCC2 1458a_100000687150_200000210301 [0,0,0,2,0,0|2,0,0]=4 1301 B10R2.638 [13CH3]C(=O)C1CC12CCC2 1458a_100000687150_200025704644 [0,0,0,2,0,0|2,0,0]=4 1302 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [1,0,0,0,0,1|0,0,2]=4 1303 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [1,0,0,0,0,1|2,0,0]=4 1304 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [1,0,0,0,0,1|2,0,0]=4 1305 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [1,0,0,0,0,1|2,0,0]=4 1306 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [1,0,0,0,0,1|2,0,0]=4 1307 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [1,0,0,0,0,1|2,0,0]=4 1308 B8R0.9 C=C(F)CNC(C)CC 2230a_100000209981_100009893438 [1,0,0,0,0,1|2,0,0]=4 1309 B8R0.9 C=C(F)COC(C)CC 34a_200010262243_100011215416 [1,0,0,0,0,1|2,0,0]=4 1310 B8R0.9 C=C(F)COC(C)CC 7a_100000210228_100000042424 [1,0,0,0,0,1|2,0,0]=4 1311 B8R0.9 C=C(F)CSC(C)CC 62a_100000042424_100000758301 [1,0,0,0,0,1|2,0,0]=4 1312 B8R0.9 C=C(F)CSC(C)CC 62a_100000758301_100000042424 [1,0,0,0,0,1|2,0,0]=4 1313 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [1,0,0,0,0,1|0,0,2]=4 1314 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [1,0,0,0,0,1|2,0,0]=4 1315 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [1,0,0,0,0,1|2,0,0]=4 1316 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [1,0,0,0,0,1|2,0,0]=4 1317 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [1,0,0,0,0,1|1,0,1]=4 1318 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [1,0,0,0,0,1|2,0,0]=4 1319 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [1,0,0,0,0,1|2,0,0]=4 1320 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [1,0,0,0,0,1|1,0,1]=4 1321 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [1,0,0,0,0,1|2,0,0]=4 1322 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [1,0,0,0,0,1|1,0,1]=4 1323 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [1,0,0,0,0,1|2,0,0]=4 1324 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [1,0,0,0,0,1|2,0,0]=4 1325 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [1,0,0,0,0,1|1,0,1]=4 1326 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,0,0,0,0,1|1,0,0]=3 1327 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,0,0,0,0,1|1,0,0]=3 1328 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,0,0,0,0,1|1,0,0]=3 1329 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,0,0,0,0,1|1,0,0]=3 1330 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,0,0,0,0,1|1,0,0]=3 1331 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,0,0,0,0,1|1,0,0]=3 1332 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [1,0,0,0,0,1|1,0,0]=3 1333 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [1,0,0,0,0,1|1,0,0]=3 1334 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [1,0,0,0,0,1|0,0,0]=2 1335 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [1,0,0,0,0,1|1,0,1]=4 1336 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [1,0,0,0,0,1|1,0,1]=4 1337 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [1,0,0,0,0,1|1,0,1]=4 1338 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [1,0,0,0,0,1|1,0,1]=4 1339 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [1,0,0,0,0,1|2,0,0]=4 1340 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [1,0,0,0,0,1|1,0,0]=3 1341 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [1,0,0,0,0,1|1,0,0]=3 1342 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [1,0,0,0,0,1|1,0,1]=4 1343 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [1,0,0,0,0,1|1,0,1]=4 1344 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [1,0,0,0,0,1|1,0,0]=3 1345 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [1,0,0,0,0,1|1,0,0]=3 1346 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [1,0,0,0,0,1|0,0,1]=3 1347 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [1,0,0,0,0,1|0,0,1]=3 1348 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [1,0,0,0,0,1|1,0,1]=4 1349 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [1,0,0,0,0,1|1,0,1]=4 1350 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [1,0,0,0,0,1|1,0,1]=4 1351 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [1,0,0,0,0,1|1,0,1]=4 1352 B8R0.9 CCC(C)SC[N+](=O)[O-] 62a_100000758301_100000761209 [1,0,0,0,0,1|1,0,1]=4 1353 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,0,0,0,0,1|2,0,0]=4 1354 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,0,0,0,0,1|2,0,0]=4 1355 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,0,0,0,0,1|2,0,0]=4 1356 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [1,0,0,0,0,1|2,0,0]=4 1357 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [1,0,0,0,0,1|2,0,0]=4 1358 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [1,0,0,0,0,1|2,0,0]=4 1359 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [1,0,0,0,0,1|2,0,0]=4 1360 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [1,0,0,0,0,1|2,0,0]=4 1361 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [1,0,0,0,0,1|2,0,0]=4 1362 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [1,0,0,0,0,1|2,0,0]=4 1363 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [1,0,0,0,0,1|2,0,0]=4 1364 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [1,0,0,0,0,1|2,0,0]=4 1365 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [1,0,0,0,0,1|2,0,0]=4 1366 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [1,0,0,0,0,1|1,0,0]=3 1367 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [1,0,0,0,0,1|2,0,0]=4 1368 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [1,0,0,0,0,1|2,0,0]=4 1369 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [1,0,0,0,0,1|1,0,1]=4 1370 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [1,0,0,0,0,1|1,0,1]=4 1371 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [1,0,0,0,0,1|2,0,0]=4 1372 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [1,0,0,0,0,1|2,0,0]=4 1373 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [1,0,0,0,0,1|2,0,0]=4 1374 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [1,0,0,0,0,1|2,0,0]=4 1375 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [1,0,0,0,0,1|2,0,0]=4 1376 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [1,0,0,0,0,1|1,0,0]=3 1377 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [1,0,0,0,0,1|2,0,0]=4 1378 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [1,0,0,0,0,1|2,0,0]=4 1379 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [1,0,0,0,0,1|1,0,1]=4 1380 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [1,0,0,0,0,1|1,0,1]=4 1381 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [0,0,0,0,0,2|2,0,0]=4 1382 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [0,0,0,0,0,2|2,0,0]=4 1383 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [0,0,0,0,0,2|2,0,0]=4 1384 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [0,0,0,0,0,2|2,0,0]=4 1385 B10R0.44 CCC(C)CN(C)CC(=O)O 269956a_100000746989_100000748023 [0,0,0,0,0,2|2,0,0]=4 1386 B10R0.44 CCC(C)SC(C)OC(=O)C 62a_100000758301_100009818208 [0,0,0,0,0,2|2,0,0]=4 1387 B10R0.44 CCC(C)SC(C)OC(=O)C 62a_100009818208_100000758301 [0,0,0,0,0,2|2,0,0]=4 1388 B10R0.44 CC[C@H](C)CN(C)CC(=O)O 269956a_100000746989_100009816398 [0,0,0,0,0,2|2,0,0]=4 1389 B10R0.57 CCC(C)C(C)OCC(=O)N 7a_100011215189_100000187820 [0,0,0,0,0,2|2,0,0]=4 1390 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,0,0,0,0,2|2,0,0]=4 1391 B10R0.82 CC(CO)OC[C@H](N)C(=O)N 34a_100000729942_100012180447 [0,0,0,0,0,2|2,0,0]=4 1392 B10R0.82 CCC(C)CNC(C)C(=O)C 2230a_100020588543_100009814033 [0,0,0,0,0,2|2,0,0]=4 1393 B10R0.82 CCC(C)CNC(C)C(=O)N 2230a_100020588543_100000702099 [0,0,0,0,0,2|2,0,0]=4 1394 B10R0.82 CCC(C)CNC(F)C(=O)N 2230a_100020588543_100009813875 [0,0,0,0,0,2|2,0,0]=4 1395 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,0,0,0,0,2|1,0,0]=3 1396 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748023 [0,0,0,0,0,2|2,0,0]=4 1397 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000243153 [0,0,0,0,0,2|2,0,0]=4 1398 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748023 [0,0,0,0,0,2|2,0,0]=4 1399 B10R0.82 CCC(C)COC(C)C(=O)C 34a_100000212229_100000748023 [0,0,0,0,0,2|2,0,0]=4 1400 B10R0.82 CCC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748023 [0,0,0,0,0,2|1,0,1]=4 1401 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748023 [0,0,0,0,0,2|2,0,0]=4 1402 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748023 [0,0,0,0,0,2|2,0,0]=4 1403 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100000748023_100009814033 [0,0,0,0,0,2|2,0,0]=4 1404 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100009814033_100000748023 [0,0,0,0,0,2|2,0,0]=4 1405 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000702099_100000748023 [0,0,0,0,0,2|2,0,0]=4 1406 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000748023_100000702099 [0,0,0,0,0,2|2,0,0]=4 1407 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100000748023_100009813875 [0,0,0,0,0,2|2,0,0]=4 1408 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100009813875_100000748023 [0,0,0,0,0,2|2,0,0]=4 1409 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100000748023_100020610796 [0,0,0,0,0,2|1,0,1]=4 1410 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000748023 [0,0,0,0,0,2|1,0,1]=4 1411 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,0,0,0,0,2|1,0,0]=3 1412 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,0,0,0,0,2|1,0,0]=3 1413 B10R0.82 CCC(C)OCC(C)C(=O)C 34a_100000032740_100011215416 [0,0,0,0,0,2|2,0,0]=4 1414 B10R0.82 CCC(C)OCC(C)C(=O)C 7a_100000032740_100000758301 [0,0,0,0,0,2|2,0,0]=4 1415 B10R0.82 CCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100011215416 [0,0,0,0,0,2|1,0,0]=3 1416 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,0,0,0,0,2|2,0,0]=4 1417 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,0,0,0,0,2|1,0,0]=3 1418 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 2230a_100000119354_100009816398 [0,0,0,0,0,2|2,0,0]=4 1419 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 34a_100000119354_100009816398 [0,0,0,0,0,2|2,0,0]=4 1420 B10R0.82 CC[C@H](C)COC(C)C(=O)C 34a_100000212229_100009816398 [0,0,0,0,0,2|2,0,0]=4 1421 B10R0.82 CC[C@H](C)COC(C)C(=O)C 7a_100009816381_100000179758 [0,0,0,0,0,2|2,0,0]=4 1422 B10R0.82 CC[C@H](C)COC(C)C(=O)N 7a_100009816381_100000702099 [0,0,0,0,0,2|2,0,0]=4 1423 B10R0.82 CC[C@H](C)COC(F)C(=O)N 7a_100009816381_100009813875 [0,0,0,0,0,2|2,0,0]=4 1424 B10R0.82 CC[C@H](C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100009816398 [0,0,0,0,0,2|1,0,1]=4 1425 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 34a_100000731257_100009816398 [0,0,0,0,0,2|2,0,0]=4 1426 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 7a_100000731257_100009816398 [0,0,0,0,0,2|2,0,0]=4 1427 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009814033_100009816398 [0,0,0,0,0,2|2,0,0]=4 1428 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009816398_100009814033 [0,0,0,0,0,2|2,0,0]=4 1429 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100000702099_100009816398 [0,0,0,0,0,2|2,0,0]=4 1430 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100009816398_100000702099 [0,0,0,0,0,2|2,0,0]=4 1431 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009813875_100009816398 [0,0,0,0,0,2|2,0,0]=4 1432 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009816398_100009813875 [0,0,0,0,0,2|2,0,0]=4 1433 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100009816398_100020610796 [0,0,0,0,0,2|1,0,1]=4 1434 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100020610796_100009816398 [0,0,0,0,0,2|1,0,1]=4 1435 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,0,0,0,0,2|2,0,0]=4 1436 B10R0.82 COC(C)NCC(F)C(=O)O 269956a_100000084737_100009879195 [0,0,0,0,0,2|2,0,0]=4 1437 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,0,0,0,0,2|2,0,0]=4 1438 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,0,0,0,0,2|2,0,0]=4