0 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.2 C=C(C)CN(C)CF 269982a_100000225649_100015361967 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,0,0,0,0,0|2,0,0]=2 28 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,0,0,0,0,0|2,0,0]=2 29 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,0,0,0,0,0|4,0,0]=4 31 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,0,0,0,0,0|2,0,2]=4 39 B7R0.2 CC(O)CN(C)CF 269982a_100000227577_100015361967 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,0,0,0,0,0|2,0,2]=4 41 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,0,0,0,0,0|2,0,2]=4 42 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,0,0,0,0,0|2,0,2]=4 46 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,0,0,0,0,0|2,0,0]=2 47 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,0,0,0,0,0|2,0,0]=2 48 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,0,0,0,0,0|2,0,0]=2 49 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,0,0,0,0,0|4,0,0]=4 51 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,0,0,0,0,0|4,0,0]=4 52 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,0,0,0,0,0|4,0,0]=4 53 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,0,0,0,0,0|4,0,0]=4 54 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,0,0,0,0,0|4,0,0]=4 55 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,0,0,0,0,0|4,0,0]=4 56 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,0,0,0,0,0|3,0,0]=3 58 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,0,0,0,0,0|3,0,0]=3 59 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,0,0,0,0,0|3,0,0]=3 60 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,0,0,0,0,0|3,0,0]=3 61 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,0,0,0,0,0|3,0,0]=3 62 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,0,0,0,0,0|3,0,0]=3 63 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,0,0,0,0,0|3,0,0]=3 64 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,0,0,0,0,0|3,0,0]=3 65 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,0,0,0,0,0|3,0,0]=3 66 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,0,0,0,0,0|3,0,0]=3 67 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,0,0,0,0,0|2,0,0]=2 68 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,0,0,0,0,0|2,0,0]=2 69 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,0,0,0,0,0|3,0,0]=3 70 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,0,0,0,0,0|2,0,1]=3 71 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.2 CCN(C)C[N+](=O)[O-] 269982a_100000225621_100000761209 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,0,0,0,0,0|2,0,0]=2 81 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,0,0,0,0,0|2,0,0]=2 84 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,0,0,0,0,0|4,0,0]=4 85 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,0,0,0,0,0|4,0,0]=4 86 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [0,0,0,0,0,0|4,0,0]=4 87 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [0,0,0,0,0,0|4,0,0]=4 88 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [0,0,0,0,0,0|4,0,0]=4 89 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [0,0,0,0,0,0|4,0,0]=4 90 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,0,0,0,0,0|2,0,0]=2 91 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,0,0,0,0,0|1,0,1]=2 92 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [0,0,0,0,0,0|4,0,0]=4 93 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [0,0,0,0,0,0|4,0,0]=4 94 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,0,0,0,0,0|4,0,0]=4 95 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,0,0,0,0,0|4,0,0]=4 96 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [0,0,0,0,0,0|3,0,0]=3 97 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [0,0,0,0,0,0|3,0,0]=3 98 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,0,0,0,0,0|3,0,1]=4 99 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,0,0,0,0,0|2,0,1]=3 100 B7R0.2 O=C(CO)C[N+](=O)[O-] 1458a_100000210174_100000761209 [0,0,0,0,0,0|2,0,2]=4 101 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,0,0,0,0,0|1,0,2]=3 102 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,0,0,0,0,0|1,0,1]=2 103 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [1,0,0,0,0,0|3,0,0]=4 106 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [1,0,0,0,0,0|3,0,0]=4 107 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [1,0,0,0,0,0|3,0,0]=4 108 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [1,0,0,0,0,0|3,0,0]=4 109 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [1,0,0,0,0,0|3,0,0]=4 110 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [1,0,0,0,0,0|3,0,0]=4 113 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,0,0,0,0,0|2,0,1]=4 114 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,0,0,0,0,0|2,0,1]=4 115 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,0,0,0,0,0|2,0,0]=3 117 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,0,0,0,0,0|3,0,0]=4 121 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,0,0,0,0,0|3,0,0]=4 122 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,0,0,0,0,0|3,0,0]=4 123 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,0,0,0,0,0|3,0,0]=4 124 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,0,0,0,0,0|3,0,0]=4 125 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,0,0,0,0|3,0,0]=4 126 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,0,0,0,0|3,0,0]=4 127 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,0,0,0,0,0|2,0,0]=3 131 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,0,0,0,0,0|2,0,1]=4 137 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,0,0,0,0,0|2,0,1]=4 140 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,0,0,0,0,0|3,0,0]=4 146 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,0,0,0,0,0|3,0,0]=4 147 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,0,0,0,0,0|3,0,0]=4 149 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,0,0,0,0,0|3,0,0]=4 150 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,0,0,0,0,0|3,0,0]=4 151 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,0,0,0,0|3,0,0]=4 153 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,0,0,0,0|3,0,0]=4 154 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,0,0,0,0,0|2,0,1]=4 159 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,0,0,0,0,0|2,0,0]=3 160 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [1,0,0,0,0,0|3,0,0]=4 161 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,0,0,0,0,0|2,0,0]=3 164 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,0,0,0,0,0|2,0,0]=3 165 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,0,0,0,0,0|2,0,0]=3 166 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [1,0,0,0,0,0|3,0,0]=4 168 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [1,0,0,0,0,0|3,0,0]=4 169 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [1,0,0,0,0,0|3,0,0]=4 170 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [1,0,0,0,0,0|3,0,0]=4 171 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,0,0,0,0,0|2,0,1]=4 173 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,0,0,0,0,0|2,0,1]=4 174 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [1,0,0,0,0,0|3,0,0]=4 175 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [1,0,0,0,0,0|3,0,0]=4 176 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,0,0,0,0,0|2,0,0]=3 177 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [1,0,0,0,0,0|3,0,0]=4 178 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,0,0,0,0,0|2,0,1]=4 179 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,0,0,0,0,0|2,0,1]=4 180 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,0,0,0,0,0|3,0,0]=4 181 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,0,0,0,0,0|3,0,0]=4 182 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,0,0,0,0,0|2,0,0]=3 183 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,0,0,0,0,0|2,0,0]=3 184 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,0,0,0,0,0|3,0,0]=4 185 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,0,0,0,0,0|3,0,0]=4 186 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,0,0,0,0,0|2,0,0]=3 187 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,0,0,0,0,0|2,0,0]=3 188 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,0,0,0,0,0|2,0,1]=4 189 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,0,0,0,0,0|2,0,1]=4 190 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [1,0,0,0,0,0|2,0,1]=4 191 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [1,0,0,0,0,0|2,0,1]=4 192 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,0,0,0,0|1,0,2]=4 193 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [1,0,0,0,0,0|3,0,0]=4 194 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [1,0,0,0,0,0|3,0,0]=4 195 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,0,0,0,0,0|3,0,0]=4 196 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,0,0,0,0,0|3,0,0]=4 197 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,0,0,0,0,0|3,0,0]=4 198 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,0,0,0,0,0|3,0,0]=4 199 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,0,0,0,0,0|1,0,2]=4 200 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [1,0,0,0,0,0|3,0,0]=4 201 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [1,0,0,0,0,0|3,0,0]=4 202 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [1,0,0,0,0,0|3,0,0]=4 203 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [1,0,0,0,0,0|3,0,0]=4 204 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [1,0,0,0,0,0|3,0,0]=4 205 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [1,0,0,0,0,0|3,0,0]=4 206 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [1,0,0,0,0,0|3,0,0]=4 207 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [1,0,0,0,0,0|3,0,0]=4 208 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,0,0,0,0,0|1,0,2]=4 209 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,0,0,0,0,0|1,0,2]=4 210 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,0,0,0,0,0|1,0,2]=4 211 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,0,0,0,0,0|1,0,2]=4 212 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,0,0,0,0,0|0,0,3]=4 213 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,0,0,0,0,0|1,0,0]=2 214 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,0,0,0,0,0|1,0,0]=2 215 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,0,0,0,0|1,0,0]=2 216 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,0,0,0,0,0|3,0,0]=4 217 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,0,0,0,0,0|2,0,0]=3 218 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,0,0,0,0|1,0,0]=2 219 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,0,0,0,0,0|2,0,0]=3 220 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,0,0,0,0,0|2,0,0]=3 221 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,0,0,0,0,0|2,0,0]=3 222 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,0,0,0,0,0|2,0,0]=3 223 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,0,0,0,0,0|2,0,0]=3 224 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,0,0,0,0,0|1,0,0]=2 225 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [1,0,0,0,0,0|3,0,0]=4 226 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [1,0,0,0,0,0|3,0,0]=4 227 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [1,0,0,0,0,0|3,0,0]=4 228 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [1,0,0,0,0,0|3,0,0]=4 229 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [1,0,0,0,0,0|3,0,0]=4 230 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [1,0,0,0,0,0|3,0,0]=4 231 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [1,0,0,0,0,0|3,0,0]=4 232 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [1,0,0,0,0,0|2,0,1]=4 234 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [1,0,0,0,0,0|2,0,1]=4 237 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,0,0,0,0,0|2,0,0]=3 239 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,0,0,0,0,0|2,0,0]=3 240 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,0,0,0,0,0|2,0,0]=3 241 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,0,0,0,0,0|1,0,0]=2 242 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,0,0,0,0,0|2,0,0]=3 243 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,0,0,0,0,0|1,0,1]=3 244 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [1,0,0,0,0,0|2,0,1]=4 245 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,0,0,0,0,0|2,0,0]=3 246 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,0,0,0,0,0|1,0,0]=2 247 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,0,0,0,0|1,0,0]=2 248 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [1,0,0,0,0,0|2,0,1]=4 249 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [1,0,0,0,0,0|2,0,1]=4 250 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,0,0,0,0,0|2,0,0]=3 251 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,0,0,0,0,0|1,0,2]=4 252 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,0,0,0,0|2,0,1]=4 253 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,0,0,0,0|2,0,1]=4 254 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,0,0,0,0|2,0,1]=4 255 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|2,0,1]=4 256 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|2,0,1]=4 257 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|2,0,1]=4 258 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,0,0,0,0,0|1,0,2]=4 259 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,0,0,0,0|2,0,1]=4 260 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|2,0,0]=3 262 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|1,0,0]=2 263 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|3,0,0]=4 264 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|3,0,0]=4 265 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|3,0,0]=4 266 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|3,0,0]=4 267 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|3,0,0]=4 268 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 269 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 270 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 271 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|3,0,0]=4 272 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|2,0,0]=3 273 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|2,0,0]=3 274 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|2,0,0]=3 275 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|2,0,0]=3 276 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|2,0,0]=3 277 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|3,0,0]=4 278 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|3,0,0]=4 279 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|3,0,0]=4 280 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|3,0,0]=4 281 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|3,0,0]=4 282 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|3,0,0]=4 283 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|2,0,0]=3 284 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|3,0,0]=4 285 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|3,0,0]=4 286 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|3,0,0]=4 287 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|3,0,0]=4 288 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|3,0,0]=4 290 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|3,0,0]=4 291 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|3,0,0]=4 292 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|3,0,0]=4 293 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|2,0,1]=4 294 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|2,0,1]=4 295 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,0,0,0,0,0|3,0,0]=4 296 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,0,0,0,0,0|3,0,0]=4 297 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,0,0,0,0,0|3,0,0]=4 298 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,0,0,0,0,0|3,0,0]=4 299 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,0,0,0,0,0|3,0,0]=4 300 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,0,0,0,0,0|3,0,0]=4 301 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|3,0,0]=4 302 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|3,0,0]=4 303 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|3,0,0]=4 304 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|3,0,0]=4 305 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|3,0,0]=4 306 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|3,0,0]=4 307 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|3,0,0]=4 308 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|3,0,0]=4 309 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|3,0,0]=4 310 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|3,0,0]=4 311 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|3,0,0]=4 312 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|3,0,0]=4 313 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|3,0,0]=4 314 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|3,0,0]=4 315 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|3,0,0]=4 316 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|3,0,0]=4 317 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|3,0,0]=4 318 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|3,0,0]=4 319 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|3,0,0]=4 320 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|3,0,0]=4 321 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,0,0,0,0,0|3,0,0]=4 322 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,0,0,0,0,0|3,0,0]=4 323 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,0,0,0,0|2,0,0]=3 324 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,0,0,0,0,0|1,0,2]=4 327 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,0,0,0,0|2,0,1]=4 328 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|3,0,0]=4 329 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|3,0,0]=4 330 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|3,0,0]=4 331 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|3,0,0]=4 332 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|3,0,0]=4 333 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,1,0,0,0,0|2,0,1]=4 334 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,1,0,0,0,0|2,0,0]=3 335 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,1,0,0,0,0|2,0,0]=3 336 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,1,0,0,0,0|2,0,0]=3 337 B8R0.2 CC(C(=O)N)C(=O)CO 1458a_100000210174_100000702099 [0,1,0,0,0,0|2,0,1]=4 338 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,1,0,0,0,0|2,0,0]=3 339 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,1,0,0,0,0|3,0,0]=4 340 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,1,0,0,0,0|3,0,0]=4 341 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,1,0,0,0,0|3,0,0]=4 342 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,1,0,0,0,0|3,0,0]=4 343 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,1,0,0,0,0|3,0,0]=4 344 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,1,0,0,0,0|3,0,0]=4 345 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,1,0,0,0,0|3,0,0]=4 346 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,1,0,0,0,0|3,0,0]=4 347 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,1,0,0,0,0|3,0,0]=4 348 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,1,0,0,0,0|3,0,0]=4 349 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,1,0,0,0,0|3,0,0]=4 350 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,0,0,0,0|2,0,0]=3 351 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,1,0,0,0,0|3,0,0]=4 352 B8R0.2 CCN(C)C(F)C(=O)N 2230a_100000225621_100009813875 [0,1,0,0,0,0|3,0,0]=4 353 B8R0.2 CCN(C)C(F)C(=O)N 269982a_100000225621_100009813875 [0,1,0,0,0,0|3,0,0]=4 354 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,1,0,0,0,0|3,0,0]=4 355 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,1,0,0,0,0|3,0,0]=4 356 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,1,0,0,0,0|3,0,0]=4 357 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,1,0,0,0,0|3,0,0]=4 358 B8R0.2 NC(=O)C(F)C(=O)CO 1458a_100000210174_100009813875 [0,1,0,0,0,0|2,0,1]=4 359 B8R0.2 O=C([O-])C(F)C(=O)CO 1458a_100000210174_100020610796 [0,1,0,0,0,0|1,0,2]=4 360 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,1,0,0,0,0|2,0,0]=3 361 B8R0.5 C#CCN(C)CC(=O)N 2230a_100000225692_100000747473 [0,1,0,0,0,0|3,0,0]=4 362 B8R0.5 C#CCN(C)CC(=O)N 2230a_100000739694_100000038162 [0,1,0,0,0,0|3,0,0]=4 363 B8R0.5 C#CCN(C)CC(=O)N 34a_100000225692_100000187820 [0,1,0,0,0,0|3,0,0]=4 364 B8R0.5 C#CCN(C)CC(=O)O 269956a_100000746989_100000184674 [0,1,0,0,0,0|2,0,0]=3 365 B8R0.5 C#CCN(C)CC(=O)O 269956a_100011236498_200000210301 [0,1,0,0,0,0|2,0,0]=3 366 B8R0.5 C#CCN(C)CC(=O)[O-] 34a_100000225692_100020667443 [0,1,0,0,0,0|2,0,1]=4 367 B8R0.5 C#CCN([13CH3])CC(=O)O 269956a_100011236498_200025704644 [0,1,0,0,0,0|2,0,0]=3 368 B8R0.5 C=C(C)CN(C)CCO 2230a_100000210263_100000748629 [0,1,0,0,0,0|3,0,0]=4 369 B8R0.5 C=C(C)CN(C)CCO 2230a_100000225649_100000211926 [0,1,0,0,0,0|3,0,0]=4 370 B8R0.5 C=C(C)CN(C)CCO 269982a_100000210263_100000748629 [0,1,0,0,0,0|3,0,0]=4 371 B8R0.5 C=C(C)CN(C)CCO 269982a_100000225649_100000211926 [0,1,0,0,0,0|3,0,0]=4 372 B8R0.5 C=C(C)CN(C)COC 2230a_100000225649_100000766300 [0,1,0,0,0,0|3,0,0]=4 373 B8R0.5 C=C(C)CN(C)COC 269982a_100000225649_100000766300 [0,1,0,0,0,0|3,0,0]=4 374 B8R0.5 C=C(F)CN(C)CCO 2230a_100000210263_100009893438 [0,1,0,0,0,0|3,0,0]=4 375 B8R0.5 C=C(F)CN(C)CCO 269982a_100000210263_100009893438 [0,1,0,0,0,0|3,0,0]=4 376 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000225617_100000747473 [0,1,0,0,0,0|3,0,0]=4 377 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000739694_100000210623 [0,1,0,0,0,0|3,0,0]=4 378 B8R0.5 C=CCN(C)CC(=O)N 269982a_100000225617_100000187820 [0,1,0,0,0,0|3,0,0]=4 379 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [0,1,0,0,0,0|2,0,0]=3 380 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [0,1,0,0,0,0|2,0,0]=3 381 B8R0.5 C=CCN(C)CC(=O)[O-] 269982a_100000225617_100020667443 [0,1,0,0,0,0|2,0,1]=4 382 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [0,1,0,0,0,0|2,0,0]=3 383 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,1,0,0,0,0|2,0,1]=4 384 B8R0.5 CC(=O)N[C@@H](C)CC#N 11a_100016994482_100015343762 [0,1,0,0,0,0|3,0,0]=4 385 B8R0.5 CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100015343762 [0,1,0,0,0,0|3,0,0]=4 386 B8R0.5 CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100015343762 [0,1,0,0,0,0|3,0,0]=4 387 B8R0.5 CC(=O)N[C@@H](C)CC#N 527a_100016994482_100103153847 [0,1,0,0,0,0|3,0,0]=4 388 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,1,0,0,0,0|2,0,0]=3 389 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,1,0,0,0,0|2,0,0]=3 390 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,1,0,0,0,0|3,0,0]=4 391 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,1,0,0,0,0|3,0,0]=4 392 B8R0.5 CC(O)CN(C)CCO 2230a_100000210263_100011218427 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.5 CC(O)CN(C)CCO 2230a_100000227577_100000211926 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.5 CC(O)CN(C)CCO 2230a_100000731851_200000210301 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.5 CC(O)CN(C)CCO 269982a_100000210263_100011218427 [0,1,0,0,0,0|2,0,1]=4 396 B8R0.5 CC(O)CN(C)CCO 269982a_100000227577_100000211926 [0,1,0,0,0,0|2,0,1]=4 397 B8R0.5 CC(O)CN(C)CCO 269982a_100000731851_200000210301 [0,1,0,0,0,0|2,0,1]=4 398 B8R0.5 CC(O)CN([13CH3])CCO 2230a_100000731851_200025704644 [0,1,0,0,0,0|2,0,1]=4 399 B8R0.5 CC(O)CN([13CH3])CCO 269982a_100000731851_200025704644 [0,1,0,0,0,0|2,0,1]=4 400 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,1,0,0,0,0|2,0,0]=3 401 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,1,0,0,0,0|2,0,0]=3 402 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,1,0,0,0,0|2,0,0]=3 403 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,1,0,0,0,0|3,0,0]=4 404 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,1,0,0,0,0|3,0,0]=4 405 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,1,0,0,0,0|3,0,0]=4 406 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,1,0,0,0,0|3,0,0]=4 407 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,1,0,0,0,0|3,0,0]=4 408 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,1,0,0,0,0|3,0,0]=4 409 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,1,0,0,0,0|3,0,0]=4 410 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,1,0,0,0,0|2,0,0]=3 411 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,1,0,0,0,0|2,0,1]=4 412 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,1,0,0,0,0|2,0,0]=3 413 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,1,0,0,0,0|2,0,0]=3 414 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,1,0,0,0,0|3,0,0]=4 415 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,1,0,0,0,0|3,0,0]=4 416 B8R0.5 CN(CC#N)CC(=O)N 2230a_100000739694_100011215382 [0,1,0,0,0,0|3,0,0]=4 417 B8R0.5 CN(CC#N)CC(=O)N 2230a_100000748184_100000747473 [0,1,0,0,0,0|3,0,0]=4 418 B8R0.5 CN(CC#N)CC(=O)O 269956a_100000746989_100011215382 [0,1,0,0,0,0|2,0,0]=3 419 B8R0.5 CN(CC=O)CC(=O)N 2230a_100000739694_200015260668 [0,1,0,0,0,0|2,0,1]=4 420 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [0,1,0,0,0,0|1,0,1]=3 421 B8R0.5 CN(CCF)CC(=O)N 2230a_100000739694_100011217306 [0,1,0,0,0,0|3,0,0]=4 422 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,1,0,0,0,0|2,0,0]=3 423 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [0,1,0,0,0,0|2,0,0]=3 424 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [0,1,0,0,0,0|2,0,0]=3 425 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [0,1,0,0,0,0|2,0,0]=3 426 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,1,0,0,0,0|1,0,0]=2 427 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,1,0,0,0,0|1,0,0]=2 428 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [0,1,0,0,0,0|1,0,1]=3 429 B8R0.5 CN(CCO)C[N+](=O)[O-] 269982a_100000210263_100000761209 [0,1,0,0,0,0|2,0,1]=4 430 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,1,0,0,0,0|2,0,0]=3 431 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,1,0,0,0,0|2,0,1]=4 432 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,1,0,0,0,0|1,0,2]=4 433 B8R0.5 COCN(C)CC(=O)N 2230a_100000739694_100000766300 [0,1,0,0,0,0|2,0,0]=3 434 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,1,0,0,0,0|1,0,0]=2 435 B8R0.5 COCN(C)CC(C)O 2230a_100000227577_100000766300 [0,1,0,0,0,0|2,0,1]=4 436 B8R0.5 COCN(C)CC(C)O 269982a_100000227577_100000766300 [0,1,0,0,0,0|2,0,1]=4 437 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,1,0,0,0,0|2,0,0]=3 438 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,1,0,0,0,0|2,0,0]=3 439 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,1,0,0,0,0|2,0,0]=3 440 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,1,0,0,0,0|2,0,0]=3 441 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [0,1,0,0,0,0|2,1,0]=4 442 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,1,0,0,0,0|1,1,0]=3 443 B8R0.5 C[C@@H](O)CN(C)CCO 2230a_100000210263_100009817552 [0,1,0,0,0,0|2,0,1]=4 444 B8R0.5 C[C@@H](O)CN(C)CCO 269982a_100000210263_100009817552 [0,1,0,0,0,0|2,0,1]=4 445 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,1,0,0,0,0|2,0,1]=4 446 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,1,0,0,0,0|2,0,1]=4 447 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,1,0,0,0,0|1,0,2]=4 448 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,1,0,0,0,0|1,0,0]=2 449 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,1,0,0,0,0|2,0,0]=3 450 B8R0.16 C=C[C@@H](CO)NC(=O)C 240690a_100016989147_100015343762 [0,1,0,0,0,0|2,0,1]=4 451 B8R0.16 C=C[C@@H](CO)NC(=O)C 527a_100016989147_100103153847 [0,1,0,0,0,0|2,0,1]=4 452 B8R0.16 CC(=O)NC(CO)CO 240690a_100000759517_100015343762 [0,1,0,0,0,0|2,0,0]=3 453 B8R0.16 CC(=O)NC(CO)CO 527a_100000759517_100103153847 [0,1,0,0,0,0|2,0,0]=3 454 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 2230a_100011830311_200025704644 [0,1,0,0,0,0|2,0,1]=4 455 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 34a_100011830311_200025704644 [0,1,0,0,0,0|2,0,1]=4 456 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,1,0,0,0,0|2,0,0]=3 457 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,1,0,0,0,0|3,0,0]=4 458 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,1,0,0,0,0|3,0,0]=4 459 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,1,0,0,0,0|3,0,0]=4 460 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,1,0,0,0,0|3,0,0]=4 461 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [0,1,0,0,0,0|3,0,0]=4 462 B8R0.16 CCN(CC)CC(=O)N 2230a_100000724800_100000747473 [0,1,0,0,0,0|3,0,0]=4 463 B8R0.16 CCN(CC)CC(=O)N 269956a_100000042499_100000187820 [0,1,0,0,0,0|3,0,0]=4 464 B8R0.16 CCN(CC)CC(=O)N 269982a_100000724800_100000187820 [0,1,0,0,0,0|3,0,0]=4 465 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,1,0,0,0,0|2,0,0]=3 466 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [0,1,0,0,0,0|3,0,0]=4 467 B8R0.16 CCN(CC)CC(=O)[O-] 269956a_100000042499_100020667443 [0,1,0,0,0,0|2,0,1]=4 468 B8R0.16 CCN(CC)CC(=O)[O-] 269982a_100000724800_100020667443 [0,1,0,0,0,0|2,0,1]=4 469 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [0,1,0,0,0,0|2,0,0]=3 470 B8R0.16 CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210202 [0,1,0,0,0,0|1,0,1]=3 471 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [0,1,0,0,0,0|2,0,0]=3 472 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [0,1,0,0,0,0|2,0,0]=3 473 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,1,0,0,0,0|1,0,0]=2 474 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,1,0,0,0,0|1,0,0]=2 475 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,1,0,0,0,0|0,0,0]=1 476 B8R0.16 CN[C@H](CO)CC(C)C 2230a_100011830311_200000210301 [0,1,0,0,0,0|2,0,1]=4 477 B8R0.16 CN[C@H](CO)CC(C)C 34a_100011830311_200000210301 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,1,0,0,0,0|3,0,0]=4 479 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,1,0,0,0,0|3,0,0]=4 480 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,1,0,0,0,0|3,0,0]=4 481 B8R0.16 O=C([O-])CN(CO)CF 269956a_100016989150_100015361967 [0,1,0,0,0,0|1,0,1]=3 482 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,1,0,0,0,0|0,0,0]=1 483 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,1,0,0,0,0|2,0,0]=3 484 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,1,0,0,0,0|3,0,0]=4 485 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,1,0,0,0,0|2,0,0]=3 486 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [0,1,0,0,0,0|1,0,0]=2 487 B8R0.19 C#CC(C)NC(=O)CO 240690a_100000707721_100000210174 [0,1,0,0,0,0|2,0,1]=4 488 B8R0.19 C#CC(C)NC(=O)CO 527a_100000707721_100000210174 [0,1,0,0,0,0|2,0,1]=4 489 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,1,0,0,0,0|2,0,0]=3 490 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,1,0,0,0,0|3,0,0]=4 491 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,1,0,0,0,0|2,0,0]=3 492 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,1,0,0,0,0|1,0,0]=2 493 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,1,0,0,0,0|3,0,0]=4 494 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,1,0,0,0,0|3,0,0]=4 495 B8R0.19 C=CC(=O)N[C@H](C)CF 1626a_100102880703_100000185746 [0,1,0,0,0,0|3,0,0]=4 496 B8R0.19 C=CC(=O)N[C@H](C)CF 240690a_100102880703_200121576911 [0,1,0,0,0,0|3,0,0]=4 497 B8R0.19 C=CC(=O)N[C@H](C)CO 240690a_100000737577_200121576911 [0,1,0,0,0,0|2,0,0]=3 498 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,1,0,0,0,0|2,0,1]=4 499 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [0,1,0,0,0,0|2,0,1]=4 500 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,1,0,0,0,0|2,0,1]=4 501 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,1,0,0,0,0|2,0,1]=4 502 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,1,0,0,0,0|2,0,1]=4 503 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,1,0,0,0,0|2,0,1]=4 504 B8R0.19 CC(C#N)NC(=O)CO 527a_100000737613_100000210174 [0,1,0,0,0,0|2,0,1]=4 505 B8R0.19 CC(CO)N[C@H](C)CO 2230a_100000737577_100012180447 [0,1,0,0,0,0|2,0,1]=4 506 B8R0.19 CC(CO)S[C@H](C)CO 62a_100012180447_100016084084 [0,1,0,0,0,0|2,0,1]=4 507 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,1,0,0,0,0|2,0,1]=4 508 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,0,0,0,0|2,0,1]=4 509 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,0,0,0,0|2,0,1]=4 510 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,0,0,0,0|2,0,0]=3 511 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,0,0,0,0|2,0,0]=3 512 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,0,0,0,0|3,0,0]=4 513 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,0,0,0,0|3,0,0]=4 514 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,1,0,0,0,0|3,0,0]=4 515 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,1,0,0,0,0|3,0,0]=4 516 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,0,0,0,0|2,0,0]=3 517 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,0,0,0,0|1,0,0]=2 518 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,1,0,0,0,0|3,0,0]=4 519 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,1,0,0,0,0|3,0,0]=4 520 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,1,0,0,0,0|3,0,0]=4 521 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,1,0,0,0,0|3,0,0]=4 522 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,1,0,0,0,0|3,0,0]=4 523 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,1,0,0,0,0|3,0,0]=4 524 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,1,0,0,0,0|3,0,0]=4 525 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,1,0,0,0,0|3,0,0]=4 526 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,0,0,0,0|2,0,0]=3 527 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,0,0,0,0|2,0,0]=3 528 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,1,0,0,0,0|2,0,0]=3 529 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,0,0,0,0|1,0,0]=2 530 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,1,0,0,0,0|2,0,0]=3 531 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,1,0,0,0,0|2,0,0]=3 532 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,1,0,0,0,0|2,0,0]=3 533 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,1,0,0,0,0|2,0,0]=3 534 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,0,0,0,0|2,0,0]=3 535 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,0,0,0,0|2,0,0]=3 536 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,1,0,0,0,0|3,0,0]=4 537 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,1,0,0,0,0|3,0,0]=4 538 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,1,0,0,0,0|3,0,0]=4 539 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,1,0,0,0,0|3,0,0]=4 540 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,1,0,0,0,0|3,0,0]=4 541 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,1,0,0,0,0|3,0,0]=4 542 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,1,0,0,0,0|3,0,0]=4 543 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,0,0,0,0|2,0,0]=3 544 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,1,0,0,0,0|3,0,0]=4 545 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,1,0,0,0,0|3,0,0]=4 546 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,1,0,0,0,0|3,0,0]=4 547 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,1,0,0,0,0|3,0,0]=4 548 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,1,0,0,0,0|3,0,0]=4 549 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,1,0,0,0,0|3,0,0]=4 550 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,1,0,0,0,0|3,0,0]=4 551 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,1,0,0,0,0|3,0,0]=4 552 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,0,0,0,0|2,0,0]=3 553 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,0,0,0,0|2,0,0]=3 554 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,0,0,0,0|2,0,0]=3 555 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [0,1,0,0,0,0|3,0,0]=4 556 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [0,1,0,0,0,0|3,0,0]=4 557 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,0,0,0,0|1,0,0]=2 558 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,1,0,0,0,0|2,0,1]=4 559 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,1,0,0,0,0|3,0,0]=4 560 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,1,0,0,0,0|3,0,0]=4 561 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,1,0,0,0,0|3,0,0]=4 562 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,1,0,0,0,0|3,0,0]=4 563 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,1,0,0,0,0|3,0,0]=4 564 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,1,0,0,0,0|2,0,0]=3 565 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,1,0,0,0,0|2,0,0]=3 566 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,1,0,0,0,0|2,0,0]=3 567 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,1,0,0,0,0|2,0,0]=3 568 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,1,0,0,0,0|2,0,0]=3 569 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,1,0,0,0,0|2,0,0]=3 570 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,1,0,0,0,0|2,0,0]=3 571 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,1,0,0,0,0|2,0,1]=4 572 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,1,0,0,0,0|1,0,1]=3 573 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,1,0,0,0,0|2,0,0]=3 574 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,1,0,0,0,0|2,0,0]=3 575 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,1,0,0,0,0|2,0,0]=3 576 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,1,0,0,0,0|2,0,0]=3 577 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,1,0,0,0,0|2,0,0]=3 578 B8R0.19 COC(C)SC(C)CO 62a_100012180447_100009879195 [0,1,0,0,0,0|2,0,1]=4 579 B8R0.19 COC(C)S[C@H](C)CO 62a_100009879195_100016084084 [0,1,0,0,0,0|2,0,1]=4 580 B8R0.19 COC(C)S[C@H](C)CO 62a_100016084084_100009879195 [0,1,0,0,0,0|2,0,1]=4 581 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,1,0,0,0,0|0,0,0]=1 582 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,1,0,0,0,0|2,0,0]=3 583 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,1,0,0,0,0|2,0,0]=3 584 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,1,0,0,0,0|1,0,0]=2 585 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,1,0,0,0,0|1,0,0]=2 586 B8R0.19 C[C@H](CO)S[C@H](C)CO 62a_100016084084_100016084084 [0,1,0,0,0,0|2,0,1]=4 587 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,0,0,0,0|3,0,0]=4 588 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,0,0,0,0|3,0,0]=4 589 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,1,0,0,0,0|3,0,0]=4 590 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,1,0,0,0,0|3,0,0]=4 591 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,1,0,0,0,0|3,0,0]=4 592 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,1,0,0,0,0|3,0,0]=4 593 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,1,0,0,0,0|3,0,0]=4 594 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,1,0,0,0,0|3,0,0]=4 595 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,1,0,0,0,0|2,0,0]=3 596 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,0,0,0,0|3,0,0]=4 597 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,1,0,0,0,0|2,0,1]=4 598 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,0,0,0,0|3,0,0]=4 599 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,1,0,0,0,0|2,0,1]=4 600 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,1,0,0,0,0|1,0,2]=4 601 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,1,0,0,0,0|2,0,1]=4 602 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,1,0,0,0,0|1,0,2]=4 603 B8R0.23 NC(=O)CC(=O)C(O)O 1458a_100000233687_100000187820 [0,1,0,0,0,0|2,0,1]=4 604 B8R0.23 O=C([O-])CC(=O)C(O)O 1458a_100000233687_100020667443 [0,1,0,0,0,0|1,0,2]=4 605 B8R0.24 C[C@H](CO)NS(=O)(=O)C 40a_100000737577_100000738038 [0,1,0,0,0,0|2,0,1]=4 606 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,1,0,0,0,0|3,0,0]=4 607 B8R0.34 CC(=O)NC(C)(C)CO 240690a_100000210608_100015343762 [0,1,0,0,0,0|2,0,0]=3 608 B8R0.34 CC(=O)NC(C)(C)CO 527a_100020618417_100103153847 [0,1,0,0,0,0|2,0,0]=3 609 B8R0.34 CC(C)(CC(=O)N)N[13CH3] 2230a_100000763158_200025704644 [0,1,0,0,0,0|3,0,0]=4 610 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,1,0,0,0,0|2,0,0]=3 611 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,1,0,0,0,0|2,0,0]=3 612 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,1,0,0,0,0|2,0,0]=3 613 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [0,1,0,0,0,0|3,0,0]=4 614 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [0,1,0,0,0,0|3,0,0]=4 615 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [0,1,0,0,0,0|3,0,0]=4 616 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [0,1,0,0,0,0|3,0,0]=4 617 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,1,0,0,0,0|2,0,0]=3 618 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,1,0,0,0,0|2,0,0]=3 619 B8R0.34 CN(C)CC(C)(C)CO 2230a_100000732702_200000210301 [0,1,0,0,0,0|3,0,0]=4 620 B8R0.34 CN(C)CC(C)(C)CO 269982a_100000732702_200000210301 [0,1,0,0,0,0|3,0,0]=4 621 B8R0.34 CN([13CH3])CC(C)(C)CO 2230a_100000732702_200025704644 [0,1,0,0,0,0|3,0,0]=4 622 B8R0.34 CN([13CH3])CC(C)(C)CO 269982a_100000732702_200025704644 [0,1,0,0,0,0|3,0,0]=4 623 B8R0.34 CNC(C)(C)CC(=O)N 2230a_100000763158_200000210301 [0,1,0,0,0,0|3,0,0]=4 624 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,1,0,0,0,0|2,0,0]=3 625 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,1,0,0,0,0|3,0,0]=4 626 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,0,0,1,0,0|3,0,0]=4 627 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [0,0,0,1,0,0|3,0,0]=4 628 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [0,0,0,1,0,0|3,0,0]=4 629 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [0,0,0,1,0,0|3,0,0]=4 630 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,0,0,1,0,0|3,0,0]=4 631 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,0,0,1,0,0|3,0,0]=4 632 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,0,0,1,0,0|3,0,0]=4 633 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,0,0,1,0,0|3,0,0]=4 634 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,0,0,1,0,0|3,0,0]=4 635 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,0,0,1,0,0|3,0,0]=4 636 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [0,0,0,1,0,0|3,0,0]=4 637 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [0,0,0,1,0,0|3,0,0]=4 638 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [0,0,0,1,0,0|3,0,0]=4 639 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,0,0,1,0,0|3,0,0]=4 640 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,0,0,1,0,0|3,0,0]=4 641 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,0,0,1,0,0|3,0,0]=4 642 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,0,0,1,0,0|3,0,0]=4 643 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,1,0,0|3,0,0]=4 644 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,0|2,0,0]=3 645 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,1,0,0|3,0,0]=4 646 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,0|2,0,0]=3 647 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 2230a_200015306588_200000210301 [0,0,0,1,0,0|3,0,0]=4 648 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 269982a_200015306588_200000210301 [0,0,0,1,0,0|3,0,0]=4 649 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 2230a_200015306588_200025704644 [0,0,0,1,0,0|3,0,0]=4 650 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 269982a_200015306588_200025704644 [0,0,0,1,0,0|3,0,0]=4 651 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,0,0,1,0,0|3,0,0]=4 652 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,0,0,1,0,0|3,0,0]=4 653 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,0,0,1,0,0|3,0,0]=4 654 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,0,0,1,0,0|3,0,0]=4 655 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,0,0,1,0,0|3,0,0]=4 656 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,0,0,1,0,0|3,0,0]=4 657 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,0,0,1,0,0|3,0,0]=4 658 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,0,0,1,0,0|3,0,0]=4 659 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,0,0,1,0,0|3,0,0]=4 660 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,0,1,0,0|2,0,0]=3 661 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,0,1,0,0|2,0,0]=3 662 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,0,0,1,0,0|2,0,0]=3 663 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,0,0,1,0,0|2,0,0]=3 664 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,0,0,1,0,0|3,0,0]=4 665 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,0,0,1,0,0|1,0,0]=2 666 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,0,0,1,0,0|1,0,0]=2 667 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,0,0,1,0,0|3,0,0]=4 668 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,0,0,1,0,0|3,0,0]=4 669 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,0,0,1,0,0|3,0,0]=4 670 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,0,0,1,0,0|3,0,0]=4 671 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [0,0,0,1,0,0|2,0,0]=3 672 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [0,0,0,1,0,0|2,0,0]=3 673 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [0,0,0,1,0,0|2,0,0]=3 674 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [0,0,0,1,0,0|2,0,0]=3 675 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [0,0,0,1,0,0|2,1,0]=4 676 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [0,0,0,1,0,0|2,1,0]=4 677 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [0,0,0,1,0,0|2,1,0]=4 678 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [0,0,0,1,0,0|2,1,0]=4 679 B8R1.34 CN(C)CC1COC1 2230a_100102631434_100010264016 [0,0,0,1,0,0|3,0,0]=4 680 B8R1.34 CN(C)CC1COC1 269982a_100102631434_100010264016 [0,0,0,1,0,0|3,0,0]=4 681 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,0,0,1,0,0|3,0,0]=4 682 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,0,0,1,0,0|2,0,1]=4 683 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,0,0,1,0,0|2,0,0]=3 684 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,0,0,1,0,0|1,0,0]=2 685 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,0,0,1,0,0|2,0,0]=3 686 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,0,0,1,0,0|1,0,0]=2 687 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [0,0,0,1,0,0|3,0,0]=4 688 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [0,0,0,1,0,0|3,0,0]=4 689 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [0,0,0,1,0,0|3,0,0]=4 690 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [0,0,0,1,0,0|3,0,0]=4 691 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,0,0,1,0,0|2,0,0]=3 692 B8R1.42 CN(C)CC1(CO1)C 269982a_100102631434_100000760498 [0,0,0,1,0,0|3,0,0]=4 693 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [0,0,0,1,0,0|2,0,1]=4 694 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,0,1,0,0|2,0,0]=3 695 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,0,1,0,0|2,0,0]=3 696 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [0,0,0,1,0,0|2,0,1]=4 697 B8R1.62 CC1(CN(C1)[13CH3])CO 2230a_100015203900_200025704644 [0,0,0,1,0,0|3,0,0]=4 698 B8R1.62 CC1(CN(C1)[13CH3])CO 269982a_100015203900_200025704644 [0,0,0,1,0,0|3,0,0]=4 699 B8R1.62 CN1CC(C1)(C)CO 2230a_100015203900_200000210301 [0,0,0,1,0,0|3,0,0]=4 700 B8R1.62 CN1CC(C1)(C)CO 269982a_100015203900_200000210301 [0,0,0,1,0,0|3,0,0]=4 701 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,0,0,0,1,0|2,0,1]=4 702 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,0,0,0,1,0|2,0,1]=4 703 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,0,0,0,1,0|2,0,1]=4 704 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,0,0,0,1,0|2,0,1]=4 705 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,0,0,0,1,0|2,0,1]=4 706 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,0,0,0,1,0|3,0,0]=4 707 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,0,0,0,1,0|3,0,0]=4 708 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,0,0,0,1,0|3,0,0]=4 709 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,0,0,0,1,0|2,0,0]=3 710 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,0,0,0,1,0|2,0,1]=4 711 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,0,0,0,1,0|3,0,0]=4 712 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,0,0,0,1,0|3,0,0]=4 713 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,0,0,0,1,0|3,0,0]=4 714 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,0,0,0,1,0|3,0,0]=4 715 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,0,0,0,1,0|3,0,0]=4 716 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,0,0,0,1,0|3,0,0]=4 717 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,0,0,0,1,0|3,0,0]=4 718 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,0,0,1,0|2,0,0]=3 719 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,0,0,1,0|2,0,0]=3 720 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,0,0,1,0|2,0,0]=3 721 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,0,0,1,0|3,0,0]=4 722 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,0,0,1,0|3,0,0]=4 723 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,0,0,0,1,0|3,0,0]=4 724 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,0,0,0,1,0|3,0,0]=4 725 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,0,0,0,1,0|3,0,0]=4 726 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,0,0,0,1,0|3,0,0]=4 727 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,0,0,0,1,0|3,0,0]=4 728 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,0,0,0,1,0|3,0,0]=4 729 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,0,0,0,1,0|3,0,0]=4 730 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,0,0,0,1,0|3,0,0]=4 731 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,0,0,0,1,0|3,0,0]=4 732 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,0,0,0,1,0|2,0,0]=3 733 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,0,0,0,1,0|3,0,0]=4 734 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,0,0,0,1,0|3,0,0]=4 735 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,0,0,0,1,0|3,0,0]=4 736 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,0,0,0,1,0|3,0,0]=4 737 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,0,0,0,1,0|3,0,0]=4 738 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,0,0,0,1,0|3,0,0]=4 739 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,0,0,0,1,0|2,0,1]=4 740 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,0,0,0,1,0|3,0,0]=4 741 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,0,0,0,1,0|3,0,0]=4 742 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,0,0,0,1,0|3,0,0]=4 743 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,0,0,0,1,0|3,0,0]=4 744 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,0,0,0,1,0|3,0,0]=4 745 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,0,0,0,1,0|3,0,0]=4 746 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,0,0,0,1,0|3,0,0]=4 747 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,0,0,0,1,0|3,0,0]=4 748 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,0,0,0,1,0|3,0,0]=4 749 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,0,0,0,1,0|3,0,0]=4 750 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,0,0,0,1,0|3,0,0]=4 751 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,0,0,0,1,0|3,0,0]=4 752 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,0,0,0,1,0|3,0,0]=4 753 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,0,0,0,1,0|2,0,0]=3 754 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,0,0,0,1,0|2,0,1]=4 755 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,0,0,0,1,0|2,0,0]=3 756 B8R0.9 C#CC(C)NCC(=O)N 2230a_100000707721_100000747473 [0,0,0,0,0,1|2,0,1]=4 757 B8R0.9 C#CC(C)NCC(=O)N 34a_100000707721_100000187820 [0,0,0,0,0,1|2,0,1]=4 758 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,0,0,0,0,1|1,0,1]=3 759 B8R0.9 C#CC(C)NCC(=O)[O-] 34a_100000707721_100020667443 [0,0,0,0,0,1|1,0,2]=4 760 B8R0.9 C#CC(C)OCC(=O)C 34a_100000211253_200000035995 [0,0,0,0,0,1|2,0,1]=4 761 B8R0.9 C#CC(C)SCC(=O)N 62a_200000035995_100000747473 [0,0,0,0,0,1|2,0,1]=4 762 B8R0.9 C#CC(C)SCC(=O)[O-] 62a_200000035995_100020667443 [0,0,0,0,0,1|1,0,2]=4 763 B8R0.9 C#C[C@@H](C)OCC(=O)N 34a_100009815206_100000187820 [0,0,0,0,0,1|2,0,1]=4 764 B8R0.9 C#C[C@@H](C)OCC(=O)N 7a_100009815206_100000187820 [0,0,0,0,0,1|2,0,1]=4 765 B8R0.9 C#C[C@@H](C)OCC(=O)[O-] 34a_100009815206_100020667443 [0,0,0,0,0,1|1,0,2]=4 766 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,0,0,0,0,1|3,0,0]=4 767 B8R0.9 C=C(C)CN[C@H](C)CO 2230a_100000737577_100000748629 [0,0,0,0,0,1|2,0,0]=3 768 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,0,0,0,0,1|3,0,0]=4 769 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,0,0,0,0,1|3,0,0]=4 770 B8R0.9 C=C(C)COC(C)CF 34a_100016041109_100000748629 [0,0,0,0,0,1|3,0,0]=4 771 B8R0.9 C=C(C)COC(C)CF 7a_100016041109_100000748629 [0,0,0,0,0,1|3,0,0]=4 772 B8R0.9 C=C(C)COC(C)CN 34a_100000210904_100000748629 [0,0,0,0,0,1|3,0,0]=4 773 B8R0.9 C=C(C)COC(C)CO 34a_100000210245_100012180447 [0,0,0,0,0,1|2,0,0]=3 774 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,0,0,0,0,1|3,0,0]=4 775 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,0,0,0,0,1|3,0,0]=4 776 B8R0.9 C=C(C)CSC(C)CO 62a_100012180447_100000211660 [0,0,0,0,0,1|2,0,0]=3 777 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100000748629_100016084084 [0,0,0,0,0,1|2,0,0]=3 778 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100016084084_100000211660 [0,0,0,0,0,1|2,0,0]=3 779 B8R0.9 C=C(F)CNC(C)CC 2230a_100000209981_100009893438 [0,0,0,0,0,1|3,0,0]=4 780 B8R0.9 C=C(F)CN[C@H](C)CO 2230a_100000737577_100009893438 [0,0,0,0,0,1|2,0,0]=3 781 B8R0.9 C=C(F)COC(C)CC 34a_200010262243_100011215416 [0,0,0,0,0,1|3,0,0]=4 782 B8R0.9 C=C(F)COC(C)CC 7a_100000210228_100000042424 [0,0,0,0,0,1|3,0,0]=4 783 B8R0.9 C=C(F)COC(C)CF 34a_100016041109_100009893438 [0,0,0,0,0,1|3,0,0]=4 784 B8R0.9 C=C(F)COC(C)CF 7a_100016041109_100000042424 [0,0,0,0,0,1|3,0,0]=4 785 B8R0.9 C=C(F)COC(C)CN 34a_100000210904_100009893438 [0,0,0,0,0,1|3,0,0]=4 786 B8R0.9 C=C(F)COC(C)CO 34a_200010262243_100012180447 [0,0,0,0,0,1|2,0,0]=3 787 B8R0.9 C=C(F)CSC(C)CC 62a_100000042424_100000758301 [0,0,0,0,0,1|3,0,0]=4 788 B8R0.9 C=C(F)CSC(C)CC 62a_100000758301_100000042424 [0,0,0,0,0,1|3,0,0]=4 789 B8R0.9 C=C(F)CSC(C)CO 62a_100012180447_100000042424 [0,0,0,0,0,1|2,0,0]=3 790 B8R0.9 C=C(F)CS[C@H](C)CO 62a_100000042424_100016084084 [0,0,0,0,0,1|2,0,0]=3 791 B8R0.9 C=C(F)CS[C@H](C)CO 62a_100016084084_100000042424 [0,0,0,0,0,1|2,0,0]=3 792 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,0,0,0,0,1|1,0,1]=3 793 B8R0.9 C=CC(C)OCC(=O)N 34a_100000695699_100000187820 [0,0,0,0,0,1|2,0,1]=4 794 B8R0.9 C=CC(C)OCC(=O)[O-] 34a_100000695699_100020667443 [0,0,0,0,0,1|1,0,2]=4 795 B8R0.9 C=CC(C)SCC(=O)N 62a_100011215867_100000747473 [0,0,0,0,0,1|2,0,1]=4 796 B8R0.9 C=CC(C)SCC(=O)[O-] 62a_100011215867_100020667443 [0,0,0,0,0,1|1,0,2]=4 797 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,0,0,0,0,1|1,0,0]=2 798 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,0,0,0,0,1|1,0,0]=2 799 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,0,0,0,0,1|1,0,0]=2 800 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [0,0,0,0,0,1|2,0,0]=3 801 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [0,0,0,0,0,1|2,0,0]=3 802 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,0,0,0,0,1|2,0,0]=3 803 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,0,0,0,0,1|2,0,0]=3 804 B8R0.9 CC(=O)NN=C(C)CO 4a_100000189765_100000211253 [0,0,0,0,0,1|2,0,1]=4 805 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [0,0,0,0,0,1|2,0,1]=4 806 B8R0.9 CC(C#N)NCC(=O)N 2230a_100000711301_100000184139 [0,0,0,0,0,1|2,0,1]=4 807 B8R0.9 CC(C#N)NCC(=O)N 2230a_100000737613_100000747473 [0,0,0,0,0,1|2,0,1]=4 808 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,0,0,0,0,1|1,0,1]=3 809 B8R0.9 CC(C#N)OCC(=O)N 34a_100011218135_100000187820 [0,0,0,0,0,1|2,0,1]=4 810 B8R0.9 CC(C#N)OCC(=O)[O-] 34a_100011218135_100020667443 [0,0,0,0,0,1|1,0,2]=4 811 B8R0.9 CC(C#N)SCC(=O)N 62a_100000703298_100000747473 [0,0,0,0,0,1|2,0,1]=4 812 B8R0.9 CC(C#N)SCC(=O)N 62a_100000747473_100000703298 [0,0,0,0,0,1|2,0,1]=4 813 B8R0.9 CC(C#N)SCC(=O)[O-] 62a_100000703298_100020667443 [0,0,0,0,0,1|1,0,2]=4 814 B8R0.9 CC(C#N)SCC(=O)[O-] 62a_100020667443_100000703298 [0,0,0,0,0,1|1,0,2]=4 815 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [0,0,0,0,0,1|2,0,1]=4 816 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [0,0,0,0,0,1|2,0,1]=4 817 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [0,0,0,0,0,1|2,0,1]=4 818 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [0,0,0,0,0,1|2,0,1]=4 819 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [0,0,0,0,0,1|2,0,1]=4 820 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [0,0,0,0,0,1|2,0,1]=4 821 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [0,0,0,0,0,1|2,0,1]=4 822 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [0,0,0,0,0,1|2,0,1]=4 823 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [0,0,0,0,0,1|2,0,1]=4 824 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [0,0,0,0,0,1|2,0,1]=4 825 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [0,0,0,0,0,1|2,0,1]=4 826 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [0,0,0,0,0,1|2,0,1]=4 827 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [0,0,0,0,0,1|2,0,1]=4 828 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,0,0,0,0,1|2,0,0]=3 829 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,0,0,0,0,1|2,0,0]=3 830 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,0,0,0,0,1|1,0,1]=3 831 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [0,0,0,0,0,1|2,0,1]=4 832 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [0,0,0,0,0,1|2,0,1]=4 833 B8R0.9 CC(CF)OC[N+](=O)[O-] 34a_100016041109_100000761209 [0,0,0,0,0,1|2,0,1]=4 834 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,0,0,0,0,1|2,0,0]=3 835 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,0,0,0,0,1|1,0,1]=3 836 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,0,0,0,0,1|2,0,1]=4 837 B8R0.9 CC(CN)OC[N+](=O)[O-] 34a_100000210904_100000761209 [0,0,0,0,0,1|2,0,1]=4 838 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [0,0,0,0,0,1|2,0,1]=4 839 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,0,0,0,0,1|1,0,0]=2 840 B8R0.9 CC(CO)NCC(F)F 34a_100000765723_100012180447 [0,0,0,0,0,1|2,0,1]=4 841 B8R0.9 CC(CO)OCC(F)F 34a_100000743014_100012180447 [0,0,0,0,0,1|2,0,1]=4 842 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [0,0,0,0,0,1|2,0,1]=4 843 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [0,0,0,0,0,1|2,0,1]=4 844 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,0,0,0,0,1|1,0,0]=2 845 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,0,0,0,0,1|0,0,1]=2 846 B8R0.9 CC(CO)SCC(F)F 62a_100012180447_100011934356 [0,0,0,0,0,1|2,0,1]=4 847 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,0,0,0,0,1|1,0,1]=3 848 B8R0.9 CC(CO)SC[N+](=O)[O-] 62a_100012180447_100000761209 [0,0,0,0,0,1|1,0,1]=3 849 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [0,0,0,0,0,1|2,0,1]=4 850 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,0,0,0,0,1|1,0,1]=3 851 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,0,0,0,0,1|1,0,1]=3 852 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,0,0,0,0,1|1,0,1]=3 853 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [0,0,0,0,0,1|2,0,1]=4 854 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [0,0,0,0,0,1|2,0,1]=4 855 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,0,0,0,0,1|2,0,1]=4 856 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,0,0,0,0,1|1,0,1]=3 857 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,0,0,0,0,1|1,0,1]=3 858 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,0,0,0,0,1|1,0,1]=3 859 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,0,0,0,0,1|2,0,0]=3 860 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,0,0,0,0,1|2,0,0]=3 861 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,0,0,0,0,1|2,0,0]=3 862 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,0,0,0,0,1|2,0,0]=3 863 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,0,0,0,0,1|2,0,0]=3 864 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,0,0,0,0,1|2,0,0]=3 865 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,0,0,0,0,1|2,0,0]=3 866 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,0,0,0,0,1|2,0,0]=3 867 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,0,0,0,0,1|1,0,0]=2 868 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,0,0,0,0,1|2,0,1]=4 869 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,0,0,0,0,1|2,0,1]=4 870 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,0,0,0,0,1|2,0,1]=4 871 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,0,0,0,0,1|2,0,1]=4 872 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,0,0,0,0,1|3,0,0]=4 873 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,0,0,0,0,1|2,0,0]=3 874 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,0,0,0,0,1|2,0,0]=3 875 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,0,0,0,0,1|2,0,1]=4 876 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,0,0,0,0,1|2,0,1]=4 877 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,0,0,0,0,1|2,0,0]=3 878 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,0,0,0,0,1|2,0,0]=3 879 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,0,0,0,0,1|1,0,1]=3 880 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,0,0,0,0,1|1,0,1]=3 881 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,0,0,0,0,1|2,0,1]=4 882 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,0,0,0,0,1|2,0,1]=4 883 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,0,0,0,0,1|2,0,1]=4 884 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,0,0,0,0,1|2,0,1]=4 885 B8R0.9 CCC(C)SC[N+](=O)[O-] 62a_100000758301_100000761209 [0,0,0,0,0,1|2,0,1]=4 886 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,0,0,0,0,1|3,0,0]=4 887 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,0,0,0,0,1|3,0,0]=4 888 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,0,0,0,0,1|3,0,0]=4 889 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,0,0,0,0,1|3,0,0]=4 890 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,0,0,0,0,1|3,0,0]=4 891 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,0,0,0,0,1|3,0,0]=4 892 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,0,0,0,0,1|3,0,0]=4 893 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,0,0,0,0,1|3,0,0]=4 894 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,0,0,0,0,1|3,0,0]=4 895 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,0,0,0,0,1|3,0,0]=4 896 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,0,0,0,0,1|3,0,0]=4 897 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,0,0,0,0,1|3,0,0]=4 898 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,0,0,0,0,1|3,0,0]=4 899 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,0,0,0,0,1|2,0,0]=3 900 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,0,0,0,0,1|3,0,0]=4 901 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,0,0,0,0,1|3,0,0]=4 902 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,0,0,0,0,1|2,0,1]=4 903 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,0,0,0,0,1|2,0,1]=4 904 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,0,0,0,0,1|3,0,0]=4 905 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,0,0,0,0,1|3,0,0]=4 906 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,0,0,0,0,1|3,0,0]=4 907 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,0,0,0,0,1|3,0,0]=4 908 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,0,0,0,0,1|1,0,0]=2 909 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,0,0,0,0,1|0,0,0]=1 910 B8R0.9 C[C@H](CO)NCC(F)F 2230a_100000737577_100011934356 [0,0,0,0,0,1|2,0,1]=4 911 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,0,0,0,0,1|1,0,1]=3 912 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,0,0,0,0,1|1,0,0]=2 913 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,0,0,0,0,1|1,0,0]=2 914 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,0,0,0,0,1|0,0,1]=2 915 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,0,0,0,0,1|0,0,1]=2 916 B8R0.9 C[C@H](CO)SCC(F)F 62a_100011934356_100016084084 [0,0,0,0,0,1|2,0,1]=4 917 B8R0.9 C[C@H](CO)SCC(F)F 62a_100016084084_100011934356 [0,0,0,0,0,1|2,0,1]=4 918 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,0,0,0,0,1|1,0,1]=3 919 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,0,0,0,0,1|1,0,1]=3 920 B8R0.9 C[C@H](CO)SC[N+](=O)[O-] 62a_100016084084_100000761209 [0,0,0,0,0,1|1,0,1]=3 921 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [0,0,0,0,0,1|2,0,1]=4 922 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [0,0,0,0,0,1|2,0,1]=4 923 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [2,0,0,0,0,0|2,0,0]=4 924 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [2,0,0,0,0,0|2,0,0]=4 925 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [2,0,0,0,0,0|2,0,0]=4 926 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [2,0,0,0,0,0|2,0,0]=4 927 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [2,0,0,0,0,0|2,0,0]=4 928 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [2,0,0,0,0,0|2,0,0]=4 929 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|2,0,0]=4 930 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,0]=3 931 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,0]=3 932 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|2,0,0]=4 933 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [2,0,0,0,0,0|2,0,0]=4 934 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [2,0,0,0,0,0|2,0,0]=4 935 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|2,0,0]=4 936 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|2,0,0]=4 937 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|2,0,0]=4 938 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [2,0,0,0,0,0|2,0,0]=4 939 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [2,0,0,0,0,0|2,0,0]=4 940 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [2,0,0,0,0,0|2,0,0]=4 941 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [2,0,0,0,0,0|2,0,0]=4 942 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,0]=3 943 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,0]=3 944 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,0]=3 945 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 946 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 947 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|2,0,0]=4 948 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 949 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 950 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [2,0,0,0,0,0|1,0,1]=4 951 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [2,0,0,0,0,0|1,0,1]=4 952 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [2,0,0,0,0,0|1,0,1]=4 953 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [2,0,0,0,0,0|1,0,1]=4 954 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [2,0,0,0,0,0|1,0,1]=4 955 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [2,0,0,0,0,0|1,0,1]=4 956 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 957 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 958 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 959 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 960 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 961 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 962 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [2,0,0,0,0,0|2,0,0]=4 963 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [2,0,0,0,0,0|2,0,0]=4 964 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [2,0,0,0,0,0|2,0,0]=4 965 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [2,0,0,0,0,0|2,0,0]=4 966 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [2,0,0,0,0,0|2,0,0]=4 967 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [2,0,0,0,0,0|2,0,0]=4 968 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [2,0,0,0,0,0|2,0,0]=4 969 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [2,0,0,0,0,0|2,0,0]=4 970 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [2,0,0,0,0,0|2,0,0]=4 971 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [2,0,0,0,0,0|2,0,0]=4 972 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [2,0,0,0,0,0|2,0,0]=4 973 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [2,0,0,0,0,0|2,0,0]=4 974 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [2,0,0,0,0,0|2,0,0]=4 975 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [2,0,0,0,0,0|2,0,0]=4 976 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|2,0,0]=4 977 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|2,0,0]=4 978 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 979 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|2,0,0]=4 980 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 981 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|2,0,0]=4 982 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|2,0,0]=4 983 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [2,0,0,0,0,0|2,0,0]=4 984 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [2,0,0,0,0,0|2,0,0]=4 985 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|2,0,0]=4 986 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 987 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 988 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|2,0,0]=4 989 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 990 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 991 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|2,0,0]=4 992 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|2,0,0]=4 993 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [2,0,0,0,0,0|2,0,0]=4 994 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [2,0,0,0,0,0|2,0,0]=4 995 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [2,0,0,0,0,0|2,0,0]=4 996 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [2,0,0,0,0,0|2,0,0]=4 997 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [2,0,0,0,0,0|2,0,0]=4 998 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [2,0,0,0,0,0|2,0,0]=4 999 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,0]=3 1000 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1001 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 1002 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 1003 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 1004 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 1005 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 1006 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|2,0,0]=4 1007 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|2,0,0]=4 1008 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|2,0,0]=4 1009 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|2,0,0]=4 1010 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|2,0,0]=4 1011 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|2,0,0]=4 1012 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|2,0,0]=4 1013 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|2,0,0]=4 1014 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|2,0,0]=4 1015 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|2,0,0]=4 1016 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [2,0,0,0,0,0|2,0,0]=4 1017 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [2,0,0,0,0,0|2,0,0]=4 1018 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|2,0,0]=4 1019 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|2,0,0]=4 1020 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [2,0,0,0,0,0|1,0,1]=4 1021 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [2,0,0,0,0,0|1,0,1]=4 1022 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [2,0,0,0,0,0|1,0,1]=4 1023 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [2,0,0,0,0,0|1,0,1]=4 1024 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [2,0,0,0,0,0|1,0,1]=4 1025 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [2,0,0,0,0,0|1,0,1]=4 1026 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [2,0,0,0,0,0|1,0,1]=4 1027 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [2,0,0,0,0,0|1,0,1]=4 1028 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [2,0,0,0,0,0|1,0,1]=4 1029 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [2,0,0,0,0,0|1,0,1]=4 1030 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [2,0,0,0,0,0|1,0,1]=4 1031 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [2,0,0,0,0,0|1,0,1]=4 1032 B7R0.3 C#CC(C)NCC=O 2230a_100000707721_200015260668 [1,1,0,0,0,0|1,0,1]=4 1033 B7R0.3 C#CC(C)NCC=O 34a_100000707721_200009817547 [1,1,0,0,0,0|1,0,1]=4 1034 B7R0.3 C#CC(C)SCC=O 62a_200000035995_200015260668 [1,1,0,0,0,0|1,0,1]=4 1035 B7R0.3 C#CCNC(C)CO 34a_100000212058_100012180447 [1,1,0,0,0,0|1,0,1]=4 1036 B7R0.3 C#CCN[C@H](C)CO 2230a_100000737577_100000038162 [1,1,0,0,0,0|1,0,1]=4 1037 B7R0.3 C#CCOC(C)CO 34a_100000210247_100012180447 [1,1,0,0,0,0|1,0,1]=4 1038 B7R0.3 C#CCS[C@H](C)CO 62a_100000038162_100016084084 [1,1,0,0,0,0|1,0,1]=4 1039 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [1,1,0,0,0,0|1,0,1]=4 1040 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [1,1,0,0,0,0|1,0,1]=4 1041 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [1,1,0,0,0,0|1,0,1]=4 1042 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [1,1,0,0,0,0|1,0,1]=4 1043 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [1,1,0,0,0,0|2,0,0]=4 1044 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [1,1,0,0,0,0|2,0,0]=4 1045 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [1,1,0,0,0,0|1,0,0]=3 1046 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [1,1,0,0,0,0|1,0,0]=3 1047 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [1,1,0,0,0,0|2,0,0]=4 1048 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [1,1,0,0,0,0|2,0,0]=4 1049 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [1,1,0,0,0,0|2,0,0]=4 1050 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [1,1,0,0,0,0|2,0,0]=4 1051 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [1,1,0,0,0,0|2,0,0]=4 1052 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [1,1,0,0,0,0|1,0,0]=3 1053 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [1,1,0,0,0,0|2,0,0]=4 1054 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [1,1,0,0,0,0|2,0,0]=4 1055 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [1,1,0,0,0,0|1,0,0]=3 1056 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [1,1,0,0,0,0|1,0,0]=3 1057 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [1,1,0,0,0,0|1,0,0]=3 1058 B7R0.3 CC(C#N)NCC=O 2230a_100000737613_200015260668 [1,1,0,0,0,0|1,0,1]=4 1059 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [1,1,0,0,0,0|1,0,1]=4 1060 B7R0.3 CC(C#N)SCC=O 62a_100000703298_200015260668 [1,1,0,0,0,0|1,0,1]=4 1061 B7R0.3 CC(C#N)SCC=O 62a_200015260668_100000703298 [1,1,0,0,0,0|1,0,1]=4 1062 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [1,1,0,0,0,0|1,0,0]=3 1063 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [1,1,0,0,0,0|1,0,0]=3 1064 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [1,1,0,0,0,0|1,0,1]=4 1065 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [1,1,0,0,0,0|1,0,1]=4 1066 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [1,1,0,0,0,0|1,0,0]=3 1067 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [1,1,0,0,0,0|1,0,1]=4 1068 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [1,1,0,0,0,0|1,0,1]=4 1069 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|1,0,1]=4 1070 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [1,1,0,0,0,0|1,0,1]=4 1071 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [1,1,0,0,0,0|1,0,1]=4 1072 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [1,1,0,0,0,0|0,0,1]=3 1073 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [1,1,0,0,0,0|0,0,1]=3 1074 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [1,1,0,0,0,0|1,0,1]=4 1075 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [1,1,0,0,0,0|1,0,1]=4 1076 B7R0.3 CC(CO)SCC#N 62a_100012180447_100011215382 [1,1,0,0,0,0|1,0,1]=4 1077 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [1,1,0,0,0,0|0,0,0]=2 1078 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [1,1,0,0,0,0|1,0,1]=4 1079 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [1,1,0,0,0,0|0,0,1]=3 1080 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,1,0,0,0,0|1,0,1]=4 1081 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,1,0,0,0,0|1,0,1]=4 1082 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [1,1,0,0,0,0|1,0,0]=3 1083 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [1,1,0,0,0,0|1,0,1]=4 1084 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [1,1,0,0,0,0|1,0,1]=4 1085 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [1,1,0,0,0,0|1,0,1]=4 1086 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [1,1,0,0,0,0|1,0,0]=3 1087 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,1,0,0,0,0|1,0,1]=4 1088 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,1,0,0,0,0|1,0,0]=3 1089 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,1,0,0,0,0|1,0,0]=3 1090 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,1,0,0,0,0|1,0,1]=4 1091 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,1,0,0,0,0|1,0,1]=4 1092 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,1,0,0,0,0|1,0,1]=4 1093 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,1,0,0,0,0|1,0,1]=4 1094 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,1,0,0,0,0|1,0,1]=4 1095 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,1,0,0,0,0|1,0,1]=4 1096 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,1,0,0,0,0|1,0,1]=4 1097 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,1,0,0,0,0|1,0,1]=4 1098 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,1,0,0,0,0|1,0,1]=4 1099 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,1,0,0,0,0|1,0,1]=4 1100 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,1,0,0,0,0|1,0,1]=4 1101 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,1,0,0,0,0|1,0,1]=4 1102 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [1,1,0,0,0,0|1,0,1]=4 1103 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [1,1,0,0,0,0|1,0,1]=4 1104 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [1,1,0,0,0,0|2,0,0]=4 1105 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [1,1,0,0,0,0|2,0,0]=4 1106 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [1,1,0,0,0,0|1,0,1]=4 1107 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [1,1,0,0,0,0|1,0,1]=4 1108 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [1,1,0,0,0,0|1,0,1]=4 1109 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [1,1,0,0,0,0|1,0,1]=4 1110 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [1,1,0,0,0,0|2,0,0]=4 1111 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [1,1,0,0,0,0|2,0,0]=4 1112 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [1,1,0,0,0,0|2,0,0]=4 1113 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [1,1,0,0,0,0|2,0,0]=4 1114 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [1,1,0,0,0,0|1,0,1]=4 1115 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [1,1,0,0,0,0|1,0,1]=4 1116 B7R0.3 C[C@H](CO)NCC#N 2230a_100000737577_100011215382 [1,1,0,0,0,0|1,0,1]=4 1117 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [1,1,0,0,0,0|0,0,0]=2 1118 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [1,1,0,0,0,0|1,0,1]=4 1119 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [1,1,0,0,0,0|0,0,1]=3 1120 B7R0.3 C[C@H](CO)SCC#N 62a_100011215382_100016084084 [1,1,0,0,0,0|1,0,1]=4 1121 B7R0.3 C[C@H](CO)SCC#N 62a_100016084084_100011215382 [1,1,0,0,0,0|1,0,1]=4 1122 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [1,1,0,0,0,0|0,0,0]=2 1123 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [1,1,0,0,0,0|0,0,0]=2 1124 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [1,1,0,0,0,0|1,0,1]=4 1125 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [1,1,0,0,0,0|1,0,1]=4 1126 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [1,1,0,0,0,0|0,0,1]=3 1127 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [1,1,0,0,0,0|0,0,1]=3 1128 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [1,1,0,0,0,0|2,0,0]=4 1129 B7R0.7 C#CCN(C)CC=O 2230a_100000225692_200015260668 [1,1,0,0,0,0|2,0,0]=4 1130 B7R0.7 C#CCN(C)CC=O 34a_100000225692_200009817547 [1,1,0,0,0,0|2,0,0]=4 1131 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [1,1,0,0,0,0|1,0,0]=3 1132 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [1,1,0,0,0,0|1,0,0]=3 1133 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [1,1,0,0,0,0|1,0,0]=3 1134 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [1,1,0,0,0,0|1,0,0]=3 1135 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [1,1,0,0,0,0|2,0,0]=4 1136 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [1,1,0,0,0,0|2,0,0]=4 1137 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [1,1,0,0,0,0|2,0,0]=4 1138 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [1,1,0,0,0,0|2,0,0]=4 1139 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [1,1,0,0,0,0|2,0,0]=4 1140 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [1,1,0,0,0,0|2,0,0]=4 1141 B7R0.7 C=CCN(C)COC 2230a_100000225617_100000766300 [1,1,0,0,0,0|2,0,0]=4 1142 B7R0.7 C=CCN(C)COC 269982a_100000225617_100000766300 [1,1,0,0,0,0|2,0,0]=4 1143 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [1,1,0,0,0,0|2,0,0]=4 1144 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [1,1,0,0,0,0|2,0,0]=4 1145 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [1,1,0,0,0,0|2,0,0]=4 1146 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [1,1,0,0,0,0|2,0,0]=4 1147 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [1,1,0,0,0,0|2,0,0]=4 1148 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [1,1,0,0,0,0|2,0,0]=4 1149 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|1,0,1]=4 1150 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [1,1,0,0,0,0|1,0,1]=4 1151 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [1,1,0,0,0,0|1,0,1]=4 1152 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [1,1,0,0,0,0|1,0,1]=4 1153 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [1,1,0,0,0,0|1,0,1]=4 1154 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [1,1,0,0,0,0|1,0,1]=4 1155 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [1,1,0,0,0,0|1,0,1]=4 1156 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [1,1,0,0,0,0|1,0,1]=4 1157 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [1,1,0,0,0,0|2,0,0]=4 1158 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [1,1,0,0,0,0|2,0,0]=4 1159 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [1,1,0,0,0,0|1,0,1]=4 1160 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [1,1,0,0,0,0|1,0,1]=4 1161 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [1,1,0,0,0,0|1,0,1]=4 1162 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,1,0,0,0,0|1,0,1]=4 1163 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [1,1,0,0,0,0|1,0,1]=4 1164 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [1,1,0,0,0,0|1,0,1]=4 1165 B7R0.7 CN(CC#N)CC=O 2230a_100000748184_200015260668 [1,1,0,0,0,0|2,0,0]=4 1166 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [1,1,0,0,0,0|1,0,0]=3 1167 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [1,1,0,0,0,0|1,0,0]=3 1168 B7R0.7 CN(CCO)CCO 2230a_100000210263_100000211926 [1,1,0,0,0,0|1,0,1]=4 1169 B7R0.7 CN(CCO)CCO 2230a_100000210587_200000210301 [1,1,0,0,0,0|1,0,1]=4 1170 B7R0.7 CN(CCO)CCO 269982a_100000210263_100000211926 [1,1,0,0,0,0|1,0,1]=4 1171 B7R0.7 CN(CCO)CCO 269982a_100000210587_200000210301 [1,1,0,0,0,0|1,0,1]=4 1172 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [1,1,0,0,0,0|1,0,1]=4 1173 B7R0.7 COCN(C)CCO 2230a_100000210263_100000766300 [1,1,0,0,0,0|1,0,1]=4 1174 B7R0.7 COCN(C)CCO 269982a_100000210263_100000766300 [1,1,0,0,0,0|1,0,1]=4 1175 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [1,1,0,0,0,0|1,0,1]=4 1176 B7R0.7 [13CH3]N(CCO)CCO 2230a_100000210587_200025704644 [1,1,0,0,0,0|1,0,1]=4 1177 B7R0.7 [13CH3]N(CCO)CCO 269982a_100000210587_200025704644 [1,1,0,0,0,0|1,0,1]=4 1178 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [1,1,0,0,0,0|2,0,0]=4 1179 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [1,1,0,0,0,0|2,0,0]=4 1180 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [1,1,0,0,0,0|2,0,0]=4 1181 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [1,1,0,0,0,0|2,0,0]=4 1182 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [1,1,0,0,0,0|2,0,0]=4 1183 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [1,1,0,0,0,0|2,0,0]=4 1184 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [1,1,0,0,0,0|2,0,0]=4 1185 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [1,1,0,0,0,0|2,0,0]=4 1186 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [1,1,0,0,0,0|2,0,0]=4 1187 B7R0.12 C=CC[C@H](CO)NC 2230a_100020615467_200000210301 [1,1,0,0,0,0|1,0,0]=3 1188 B7R0.12 C=CC[C@H](CO)N[13CH3] 2230a_100020615467_200025704644 [1,1,0,0,0,0|1,0,0]=3 1189 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [1,1,0,0,0,0|1,0,1]=4 1190 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [1,1,0,0,0,0|1,0,1]=4 1191 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [1,1,0,0,0,0|1,0,1]=4 1192 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|1,0,1]=4 1193 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [1,1,0,0,0,0|2,0,0]=4 1194 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [1,1,0,0,0,0|2,0,0]=4 1195 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [1,1,0,0,0,0|2,0,0]=4 1196 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [1,1,0,0,0,0|2,0,0]=4 1197 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [1,1,0,0,0,0|2,0,0]=4 1198 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [1,1,0,0,0,0|2,0,0]=4 1199 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [1,1,0,0,0,0|2,0,0]=4 1200 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [1,1,0,0,0,0|1,0,0]=3 1201 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [1,1,0,0,0,0|1,0,0]=3 1202 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [1,1,0,0,0,0|2,0,0]=4 1203 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [1,1,0,0,0,0|1,1,0]=4 1204 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [1,1,0,0,0,0|1,1,0]=4 1205 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [1,1,0,0,0,0|2,0,0]=4 1206 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [1,1,0,0,0,0|2,0,0]=4 1207 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [1,1,0,0,0,0|2,0,0]=4 1208 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [1,1,0,0,0,0|2,0,0]=4 1209 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [1,1,0,0,0,0|1,0,0]=3 1210 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [1,1,0,0,0,0|1,0,0]=3 1211 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [1,1,0,0,0,0|2,0,0]=4 1212 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [1,1,0,0,0,0|1,1,0]=4 1213 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,1,0,0,0,0|1,0,0]=3 1214 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [1,1,0,0,0,0|2,0,0]=4 1215 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [1,1,0,0,0,0|2,0,0]=4 1216 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 1217 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 1218 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 1219 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [1,1,0,0,0,0|2,0,0]=4 1220 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [1,1,0,0,0,0|2,0,0]=4 1221 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,1,0,0,0,0|1,0,0]=3 1222 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [1,1,0,0,0,0|2,0,0]=4 1223 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [1,1,0,0,0,0|2,0,0]=4 1224 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,1,0,0,0,0|1,0,0]=3 1225 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,1,0,0,0,0|1,0,0]=3 1226 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,1,0,0,0,0|1,0,0]=3 1227 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,1,0,0,0,0|1,0,0]=3 1228 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [1,1,0,0,0,0|2,0,0]=4 1229 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [1,1,0,0,0,0|2,0,0]=4 1230 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [1,1,0,0,0,0|2,0,0]=4 1231 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,1,0,0,0,0|2,0,0]=4 1232 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,1,0,0,0,0|2,0,0]=4 1233 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,1,0,0,0,0|2,0,0]=4 1234 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,1,0,0,0,0|1,0,1]=4 1235 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [1,1,0,0,0,0|2,0,0]=4 1236 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [1,1,0,0,0,0|2,0,0]=4 1237 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [1,1,0,0,0,0|2,0,0]=4 1238 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,1,0,0,0,0|2,0,0]=4 1239 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,1,0,0,0,0|2,0,0]=4 1240 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [1,1,0,0,0,0|2,0,0]=4 1241 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [1,1,0,0,0,0|2,0,0]=4 1242 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [1,1,0,0,0,0|2,0,0]=4 1243 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [1,1,0,0,0,0|2,0,0]=4 1244 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [1,1,0,0,0,0|2,0,0]=4 1245 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|2,0,0]=4 1246 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|2,0,0]=4 1247 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|2,0,0]=4 1248 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,1,0,0,0,0|1,0,1]=4 1249 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [1,1,0,0,0,0|1,0,1]=4 1250 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,1,0,0,0,0|2,0,0]=4 1251 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,1,0,0,0,0|2,0,0]=4 1252 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,1,0,0,0,0|2,0,0]=4 1253 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,1,0,0,0,0|1,0,0]=3 1254 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,1,0,0,0,0|1,0,0]=3 1255 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,1,0,0,0,0|1,0,0]=3 1256 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,1,0,0,0,0|1,0,0]=3 1257 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|1,1,0]=4 1258 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|1,1,0]=4 1259 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,1,0,0,0,0|2,0,0]=4 1260 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,1,0,0,0,0|2,0,0]=4 1261 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,1,0,0,0,0|2,0,0]=4 1262 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,1,0,0,0,0|2,0,0]=4 1263 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,1,0,0,0,0|2,0,0]=4 1264 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,1,0,0,0,0|1,0,0]=3 1265 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,1,0,0,0,0|1,0,0]=3 1266 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1267 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1268 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1269 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,1,0,0,0,0|2,0,0]=4 1270 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,1,0,0,0,0|1,0,0]=3 1271 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,1,0,0,0,0|1,0,0]=3 1272 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,1,0,0,0,0|2,0,0]=4 1273 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,1,0,0,0,0|2,0,0]=4 1274 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,1,0,0,0,0|1,0,1]=4 1275 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,1,0,0,0,0|1,0,1]=4 1276 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,1,0,0,0,0|1,0,1]=4 1277 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,1,0,0,0,0|1,0,1]=4 1278 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,1,0,0,0,0|1,0,1]=4 1279 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,1,0,0,0,0|1,0,1]=4 1280 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|2,0,0]=4 1281 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|2,0,0]=4 1282 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|2,0,0]=4 1283 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,1,0,0,0,0|2,0,0]=4 1284 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,1,0,0,0,0|2,0,0]=4 1285 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,1,0,0,0,0|2,0,0]=4 1286 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,1,0,0,0,0|2,0,0]=4 1287 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,1,0,0,0,0|2,0,0]=4 1288 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|1,0,0]=3 1289 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|2,0,0]=4 1290 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|2,0,0]=4 1291 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,1,0,0,0,0|2,0,0]=4 1292 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|2,0,0]=4 1293 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,1,0,0,0,0|1,0,1]=4 1294 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|2,0,0]=4 1295 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,1,0,0,0,0|2,0,0]=4 1296 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,1,0,0,0,0|2,0,0]=4 1297 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|2,0,0]=4 1298 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,1,0,0,0,0|1,0,1]=4 1299 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,1,0,0,0,0|1,0,1]=4 1300 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,1,0,0,0,0|2,0,0]=4 1301 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,1,0,0,0,0|2,0,0]=4 1302 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|2,0,0]=4 1303 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|2,0,0]=4 1304 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|2,0,0]=4 1305 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|2,0,0]=4 1306 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,1,0,0,0,0|2,0,0]=4 1307 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,1,0,0,0,0|2,0,0]=4 1308 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,1,0,0,0,0|2,0,0]=4 1309 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|2,0,0]=4 1310 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|2,0,0]=4 1311 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|2,0,0]=4 1312 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|2,0,0]=4 1313 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|2,0,0]=4 1314 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,1,0,0,0,0|2,0,0]=4 1315 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,1,0,0,0,0|2,0,0]=4 1316 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|2,0,0]=4 1317 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,1,0,0,0,0|2,0,0]=4 1318 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,1,0,0,0,0|2,0,0]=4 1319 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,1,0,0,0,0|2,0,0]=4 1320 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,1,0,0,0,0|2,0,0]=4 1321 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,1,0,0,0,0|2,0,0]=4 1322 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,1,0,0,0,0|1,0,0]=3 1323 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,1,0,0,0,0|1,0,0]=3 1324 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,1,0,0,0,0|1,0,0]=3 1325 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,1,0,0,0,0|1,0,0]=3 1326 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,1,0,0,0,0|1,0,0]=3 1327 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,1,0,0,0,0|1,0,0]=3 1328 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,1,0,0,0,0|1,0,0]=3 1329 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,1,0,0,0,0|1,0,1]=4 1330 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,1,0,0,0,0|1,0,1]=4 1331 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,1,0,0,0,0|2,0,0]=4 1332 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,1,0,0,0,0|2,0,0]=4 1333 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,1,0,0,0,0|2,0,0]=4 1334 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,1,0,0,0,0|2,0,0]=4 1335 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,1,0,0,0,0|2,0,0]=4 1336 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,1,0,0,0,0|2,0,0]=4 1337 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,1,0,0,0,0|2,0,0]=4 1338 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,1,0,0,0,0|2,0,0]=4 1339 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,1,0,0,0,0|2,0,0]=4 1340 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,1,0,0,0,0|1,0,0]=3 1341 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,1,0,0,0,0|2,0,0]=4 1342 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,1,0,0,0,0|2,0,0]=4 1343 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,1,0,0,0,0|1,0,1]=4 1344 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,1,0,0,0,0|1,0,1]=4 1345 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|1,1,0]=4 1346 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|1,1,0]=4 1347 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|1,1,0]=4 1348 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,1,0,0,0,0|1,1,0]=4 1349 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,1,0,0,0,0|1,1,0]=4 1350 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|1,1,0]=4 1351 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,1,0,0,0,0|1,1,0]=4 1352 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,1,0,0,0,0|1,0,1]=4 1353 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,1,0,0,0,0|1,0,1]=4 1354 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,1,0,0,0,0|1,0,1]=4 1355 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,1,0,0,0,0|1,0,1]=4 1356 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,1,0,0,0,0|1,0,1]=4 1357 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 1358 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 1359 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,1,0,0,0,0|2,0,0]=4 1360 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,1,0,0,0,0|2,0,0]=4 1361 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,1,0,0,0,0|2,0,0]=4 1362 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,1,0,0,0,0|2,0,0]=4 1363 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,1,0,0,0,0|1,0,0]=3 1364 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,1,0,0,0,0|1,0,0]=3 1365 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,1,0,0,0,0|1,0,0]=3 1366 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,1,0,0,0,0|2,0,0]=4 1367 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,1,0,0,0,0|2,0,0]=4 1368 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,1,0,0,0,0|2,0,0]=4 1369 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,1,0,0,0,0|1,0,0]=3 1370 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,1,0,0,0,0|1,0,0]=3 1371 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,1,0,0,0,0|2,0,0]=4 1372 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,1,0,0,0,0|1,0,1]=4 1373 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,1,0,0,0,0|1,0,0]=3 1374 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,1,0,0,0,0|0,0,0]=2 1375 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,1,0,0,0,0|2,0,0]=4 1376 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,1,0,0,0,0|1,0,1]=4 1377 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,1,0,0,0,0|0,0,1]=3 1378 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,1,0,0,0,0|1,0,1]=4 1379 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,1,0,0,0,0|1,0,1]=4 1380 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,1,0,0,0,0|1,0,1]=4 1381 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,1,0,0,0,0|0,0,1]=3 1382 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,1,0,0,0,0|0,0,1]=3 1383 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,1,0,0,0,0|0,0,2]=4 1384 B7R0.4 O=[N+]([O-])CNCCO 34a_100016990907_100000761209 [1,1,0,0,0,0|1,0,1]=4 1385 B7R0.4 O=[N+]([O-])CSCCO 62a_100000211926_100000761209 [1,1,0,0,0,0|1,0,1]=4 1386 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,1,0,0,0,0|2,0,0]=4 1387 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,1,0,0,0,0|1,0,0]=3 1388 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,1,0,0,0,0|1,0,0]=3 1389 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,1,0,0,0,0|2,0,0]=4 1390 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,1,0,0,0,0|1,0,1]=4 1391 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,1,0,0,0,0|2,0,0]=4 1392 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,1,0,0,0,0|2,0,0]=4 1393 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,1,0,0,0,0|1,1,0]=4 1394 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,1,0,0,0,0|1,1,0]=4 1395 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|2,0,0]=4 1396 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|2,0,0]=4 1397 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|1,0,0]=3 1398 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 1399 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 1400 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,1,0,0,0,0|2,0,0]=4 1401 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|2,0,0]=4 1402 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,1,0,0,0,0|2,0,0]=4 1403 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [0,1,0,0,1,0|2,0,0]=4 1404 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,1,0,0,1,0|1,0,0]=3 1405 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [0,1,0,0,1,0|2,0,0]=4 1406 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,1,0,0,1,0|1,0,0]=3 1407 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,1,0,0,1,0|2,0,0]=4 1408 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,1,0,0,1,0|2,0,0]=4 1409 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,1,0,0,1,0|2,0,0]=4 1410 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,1,0,0,1,0|2,0,0]=4 1411 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,1,0,0,1,0|1,0,1]=4 1412 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,1,0,0,1,0|1,0,1]=4 1413 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,1,0,0,1,0|2,0,0]=4 1414 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,1,0,0,1,0|2,0,0]=4 1415 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,1,0,0,1,0|2,0,0]=4 1416 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,1,0,0,1,0|2,0,0]=4 1417 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,1,0,0,1,0|2,0,0]=4 1418 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,1,0,0,1,0|2,0,0]=4 1419 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,1,0,0,1,0|2,0,0]=4 1420 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,1,0,0,1,0|2,0,0]=4 1421 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,1,0,0,1,0|2,0,0]=4 1422 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,1,0,0,1,0|2,0,0]=4 1423 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,1,0,0,1,0|2,0,0]=4 1424 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,1,0,0,1,0|2,0,0]=4 1425 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,1,0,0,1,0|2,0,0]=4 1426 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,1,0,0,1,0|2,0,0]=4 1427 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,1,0,0,1,0|2,0,0]=4 1428 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,1,0,0,1,0|2,0,0]=4 1429 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,1,0,0,1,0|2,0,0]=4 1430 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,1,0,0,1,0|1,0,0]=3 1431 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,1,0,0,1,0|1,0,0]=3 1432 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,1,0,0,1,0|0,0,0]=2 1433 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,1,0,0,1,0|1,0,0]=3 1434 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,1,0|1,0,0]=3 1435 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,1,0,0,1,0|1,0,1]=4 1436 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,1,0,0,1,0|1,0,1]=4 1437 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,1,0,0,1,0|1,0,1]=4 1438 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,1,0,0,1,0|1,0,1]=4 1439 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,1,0,0,1,0|0,0,0]=2 1440 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,1,0,0,1,0|1,0,0]=3 1441 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,1,0|1,0,0]=3 1442 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,1,0,0,0,1|0,0,2]=4 1443 B9R0.7 CC(C)C(C)NCC(=O)N 2230a_100000211541_100000747473 [0,1,0,0,0,1|2,0,0]=4 1444 B9R0.7 CC(C)C(C)OCC(=O)N 7a_100000748068_100000187820 [0,1,0,0,0,1|2,0,0]=4 1445 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,1,0,0,0,1|1,0,1]=4 1446 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,1,0,0,0,1|0,0,2]=4 1447 B9R0.21 CC(CO)CNS(=O)(=O)C 40a_100000744482_100000738038 [0,1,0,0,0,1|1,0,1]=4 1448 B9R0.21 CC(CO)NCC(C)(C)O 2230a_100000751335_100012180447 [0,1,0,0,0,1|1,0,1]=4 1449 B9R0.21 CC(CO)SCC(C)(C)O 62a_100012180447_100000764493 [0,1,0,0,0,1|1,0,1]=4 1450 B9R0.21 CC(CO)SCS(=O)(=O)N 62a_100012180447_100000741382 [0,1,0,0,0,1|1,0,1]=4 1451 B9R0.21 CC(CO)SCS(=O)(=O)[O-] 62a_100012180447_100009817235 [0,1,0,0,0,1|1,0,1]=4 1452 B9R0.21 C[C@H](CO)SCC(C)(C)O 62a_100000764493_100016084084 [0,1,0,0,0,1|1,0,1]=4 1453 B9R0.21 C[C@H](CO)SCC(C)(C)O 62a_100016084084_100000764493 [0,1,0,0,0,1|1,0,1]=4 1454 B9R0.21 C[C@H](CO)SCS(=O)(=O)N 62a_100000741382_100016084084 [0,1,0,0,0,1|1,0,1]=4 1455 B9R0.21 C[C@H](CO)SCS(=O)(=O)N 62a_100016084084_100000741382 [0,1,0,0,0,1|1,0,1]=4 1456 B9R0.21 C[C@H](CO)SCS(=O)(=O)[O-] 62a_100009817235_100016084084 [0,1,0,0,0,1|1,0,1]=4 1457 B9R0.21 C[C@H](CO)SCS(=O)(=O)[O-] 62a_100016084084_100009817235 [0,1,0,0,0,1|1,0,1]=4 1458 B9R0.23 C#CC(C)N(C)CC(=O)O 269956a_100000746989_200000035995 [0,1,0,0,0,1|1,0,1]=4 1459 B9R0.23 C=C(C)CN(C)C(C)CO 2230a_100000225649_100012180447 [0,1,0,0,0,1|2,0,0]=4 1460 B9R0.23 C=C(C)CN(C)C(C)CO 2230a_100000693034_100000748629 [0,1,0,0,0,1|2,0,0]=4 1461 B9R0.23 C=C(C)CN(C)C(C)CO 269982a_100000693034_100000748629 [0,1,0,0,0,1|2,0,0]=4 1462 B9R0.23 C=C(C)CN(C)[C@H](C)CO 269982a_100000225649_100016084084 [0,1,0,0,0,1|2,0,0]=4 1463 B9R0.23 C=C(F)CN(C)C(C)CO 2230a_100000693034_100009893438 [0,1,0,0,0,1|2,0,0]=4 1464 B9R0.23 C=C(F)CN(C)C(C)CO 269982a_100000693034_100009893438 [0,1,0,0,0,1|2,0,0]=4 1465 B9R0.23 C=CC(C)N(C)CC(=O)O 269956a_100000746989_100011215867 [0,1,0,0,0,1|1,0,1]=4 1466 B9R0.23 CC(C#N)N(C)CC(=O)O 269956a_100000746989_100000184139 [0,1,0,0,0,1|1,0,1]=4 1467 B9R0.23 CC(CO)N(C)CC(=O)N 2230a_100000693034_100000747473 [0,1,0,0,0,1|1,0,0]=3 1468 B9R0.23 CC(CO)N(C)CC(=O)N 2230a_100000739694_100012180447 [0,1,0,0,0,1|1,0,0]=3 1469 B9R0.23 CC(CO)N(C)CC(=O)N 269982a_100000693034_100000187820 [0,1,0,0,0,1|1,0,0]=3 1470 B9R0.23 CC(CO)N(C)CC(=O)[O-] 269982a_100000693034_100020667443 [0,1,0,0,0,1|0,0,1]=3 1471 B9R0.23 CC(CO)N(C)C[C@@H](C)O 2230a_100000693034_100009817552 [0,1,0,0,0,1|1,0,1]=4 1472 B9R0.23 CC(CO)N(C)C[C@@H](C)O 269982a_100000693034_100009817552 [0,1,0,0,0,1|1,0,1]=4 1473 B9R0.23 CC(CO)N(C)C[N+](=O)[O-] 269982a_100000693034_100000761209 [0,1,0,0,0,1|1,0,1]=4 1474 B9R0.23 CC(O)CN(C)C(C)CO 2230a_100000227577_100012180447 [0,1,0,0,0,1|1,0,1]=4 1475 B9R0.23 CC(O)CN(C)C(C)CO 2230a_100000693034_100011218427 [0,1,0,0,0,1|1,0,1]=4 1476 B9R0.23 CC(O)CN(C)C(C)CO 269982a_100000693034_100011218427 [0,1,0,0,0,1|1,0,1]=4 1477 B9R0.23 CC(O)CN(C)[C@H](C)CO 269982a_100000227577_100016084084 [0,1,0,0,0,1|1,0,1]=4 1478 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [0,1,0,0,0,1|2,0,0]=4 1479 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [0,1,0,0,0,1|2,0,0]=4 1480 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [0,1,0,0,0,1|1,0,1]=4 1481 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000739694_100000758301 [0,1,0,0,0,1|2,0,0]=4 1482 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000741768_100000747473 [0,1,0,0,0,1|2,0,0]=4 1483 B9R0.23 CCC(C)N(C)CC(=O)N 269982a_100000741768_100000187820 [0,1,0,0,0,1|2,0,0]=4 1484 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,1,0,0,0,1|1,0,0]=3 1485 B9R0.23 CCC(C)N(C)CC(=O)[O-] 269982a_100000741768_100020667443 [0,1,0,0,0,1|1,0,1]=4 1486 B9R0.23 COC(C)N(C)CC(=O)O 269956a_100000746989_100009879195 [0,1,0,0,0,1|2,0,0]=4 1487 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [0,1,0,0,0,1|0,0,0]=2 1488 B9R0.23 NC(=O)CC(=O)C(O)CO 1458a_100011215603_100000187820 [0,1,0,0,0,1|2,0,0]=4 1489 B9R0.23 O=C([O-])CC(=O)C(O)CO 1458a_100011215603_100020667443 [0,1,0,0,0,1|1,0,1]=4 1490 B9R0.24 C#CC(C)NCC(=O)OC 2230a_100000707721_100000747449 [0,1,0,0,0,1|1,0,1]=4 1491 B9R0.24 C#CC(C)NCC(=O)OC 34a_100000707721_100000747449 [0,1,0,0,0,1|1,0,1]=4 1492 B9R0.24 C#CC(C)SCC(=O)OC 62a_200000035995_100000747449 [0,1,0,0,0,1|1,0,1]=4 1493 B9R0.24 C#C[C@@H](C)OCC(=O)OC 34a_100009815206_100000747449 [0,1,0,0,0,1|1,0,1]=4 1494 B9R0.24 C#C[C@@H](C)OCC(=O)OC 7a_100009815206_100000747449 [0,1,0,0,0,1|1,0,1]=4 1495 B9R0.24 C=C(C#N)CN[C@H](C)CO 2230a_100000737577_100000694840 [0,1,0,0,0,1|2,0,0]=4 1496 B9R0.24 C=C(C#N)CSC(C)CO 62a_100012180447_100000694840 [0,1,0,0,0,1|2,0,0]=4 1497 B9R0.24 C=C(C#N)CS[C@H](C)CO 62a_100016084084_100000694840 [0,1,0,0,0,1|2,0,0]=4 1498 B9R0.24 C=CC(=O)NCC(C)CC 1626a_100020588543_100000185746 [0,1,0,0,0,1|2,0,0]=4 1499 B9R0.24 C=CC(=O)NCC(C)CC 240690a_100020588543_200121576911 [0,1,0,0,0,1|2,0,0]=4 1500 B9R0.24 C=CC(=O)NCC(C)CO 240690a_100000744482_200121576911 [0,1,0,0,0,1|1,0,0]=3 1501 B9R0.24 C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_200121576911 [0,1,0,0,0,1|2,0,0]=4 1502 B9R0.24 C=CC(=O)NC[C@H](O)CO 240690a_100020644852_200121576911 [0,1,0,0,0,1|2,0,0]=4 1503 B9R0.24 C=CC(C)OCC(=O)OC 34a_100000695699_100000747449 [0,1,0,0,0,1|1,0,1]=4 1504 B9R0.24 C=CC(C)SCC(=O)OC 62a_100011215867_100000747449 [0,1,0,0,0,1|1,0,1]=4 1505 B9R0.24 C=CC(O)CN[C@H](C)CO 2230a_100000737577_100000730141 [0,1,0,0,0,1|1,0,1]=4 1506 B9R0.24 C=CC(O)CSC(C)CO 62a_100012180447_100000730141 [0,1,0,0,0,1|1,0,1]=4 1507 B9R0.24 C=CC(O)CS[C@H](C)CO 62a_100000730141_100016084084 [0,1,0,0,0,1|1,0,1]=4 1508 B9R0.24 C=CC(O)CS[C@H](C)CO 62a_100016084084_100000730141 [0,1,0,0,0,1|1,0,1]=4 1509 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [0,1,0,0,0,1|0,0,0]=2 1510 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [0,1,0,0,0,1|0,0,0]=2 1511 B9R0.24 CC(CO)CNC(C)CO 34a_100000744482_100012180447 [0,1,0,0,0,1|1,0,1]=4 1512 B9R0.24 CC(CO)NC[C@@H](F)CO 34a_100015665980_100012180447 [0,1,0,0,0,1|1,0,1]=4 1513 B9R0.24 CC(CO)NC[C@H](O)CO 2230a_100020644852_100012180447 [0,1,0,0,0,1|0,0,2]=4 1514 B9R0.24 CC(CO)SCC(O)CO 62a_100012180447_100011219619 [0,1,0,0,0,1|0,0,2]=4 1515 B9R0.24 CC(CO)SC[C@@H](C)CO 62a_100012180447_100000059175 [0,1,0,0,0,1|1,0,1]=4 1516 B9R0.24 CC(CO)SC[C@@H](O)CF 62a_100012180447_100015614560 [0,1,0,0,0,1|1,0,1]=4 1517 B9R0.24 CC(CO)SC[C@@H](O)CO 62a_100012180447_100009815848 [0,1,0,0,0,1|0,0,2]=4 1518 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,1,0,0,0,1|2,0,0]=4 1519 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,1,0,0,0,1|2,0,0]=4 1520 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,1,0,0,0,1|2,0,0]=4 1521 B9R0.24 CCC(=O)COC(C)CF 7a_100016041109_100000747405 [0,1,0,0,0,1|2,0,0]=4 1522 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [0,1,0,0,0,1|1,0,0]=3 1523 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,1,0,0,0,1|2,0,0]=4 1524 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,1,0,0,0,1|2,0,0]=4 1525 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [0,1,0,0,0,1|1,0,0]=3 1526 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [0,1,0,0,0,1|1,0,0]=3 1527 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [0,1,0,0,0,1|1,0,0]=3 1528 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,1,0,0,0,1|2,0,0]=4 1529 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,1,0,0,0,1|2,0,0]=4 1530 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,1,0,0,0,1|2,0,0]=4 1531 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,1,0,0,0,1|2,0,0]=4 1532 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,1,0,0,0,1|1,0,0]=3 1533 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,1,0,0,0,1|1,0,0]=3 1534 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [0,1,0,0,0,1|2,0,0]=4 1535 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [0,1,0,0,0,1|2,0,0]=4 1536 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [0,1,0,0,0,1|2,0,0]=4 1537 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [0,1,0,0,0,1|2,0,0]=4 1538 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,1,0,0,0,1|2,0,0]=4 1539 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,1,0,0,0,1|2,0,0]=4 1540 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,1,0,0,0,1|2,0,0]=4 1541 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,1,0,0,0,1|2,0,0]=4 1542 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,1,0,0,0,1|2,0,0]=4 1543 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,1,0,0,0,1|1,0,0]=3 1544 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,1,0,0,0,1|1,0,0]=3 1545 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [0,1,0,0,0,1|2,0,0]=4 1546 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [0,1,0,0,0,1|2,0,0]=4 1547 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [0,1,0,0,0,1|2,0,0]=4 1548 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [0,1,0,0,0,1|2,0,0]=4 1549 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [0,1,0,0,0,1|2,0,0]=4 1550 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [0,1,0,0,0,1|2,0,0]=4 1551 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [0,1,0,0,0,1|2,0,0]=4 1552 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [0,1,0,0,0,1|2,0,0]=4 1553 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,1,0,0,0,1|1,0,0]=3 1554 B9R0.24 CCC(C)NNC(=O)CO 22a_100000718999_100000210174 [0,1,0,0,0,1|2,0,0]=4 1555 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [0,1,0,0,0,1|2,0,0]=4 1556 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [0,1,0,0,0,1|2,0,0]=4 1557 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,1,0,0,0,1|1,0,0]=3 1558 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [0,1,0,0,0,1|2,0,0]=4 1559 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [0,1,0,0,0,1|2,0,0]=4 1560 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,1,0,0,0,1|1,0,0]=3 1561 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,1,0,0,0,1|1,0,0]=3 1562 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,1,0,0,0,1|2,0,0]=4 1563 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,1,0,0,0,1|2,0,0]=4 1564 B9R0.24 CCC(O)CNC(C)CO 2230a_100011218483_100012180447 [0,1,0,0,0,1|1,0,1]=4 1565 B9R0.24 CCC(O)CN[C@H](C)CO 2230a_100000737577_100011218378 [0,1,0,0,0,1|1,0,1]=4 1566 B9R0.24 CCC(O)CSC(C)CO 62a_100012180447_100011218378 [0,1,0,0,0,1|1,0,1]=4 1567 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100011218378_100016084084 [0,1,0,0,0,1|1,0,1]=4 1568 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100016084084_100011218378 [0,1,0,0,0,1|1,0,1]=4 1569 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,1,0,0,0,1|2,0,0]=4 1570 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,1,0,0,0,1|2,0,0]=4 1571 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,1,0,0,0,1|2,0,0]=4 1572 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,1,0,0,0,1|2,0,0]=4 1573 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,1,0,0,0,1|2,0,0]=4 1574 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,1,0,0,0,1|2,0,0]=4 1575 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,1,0,0,0,1|2,0,0]=4 1576 B9R0.24 CNC(=O)CNC(C)CO 2230a_100000693194_100012180447 [0,1,0,0,0,1|1,0,0]=3 1577 B9R0.24 CNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183359 [0,1,0,0,0,1|1,0,0]=3 1578 B9R0.24 CNC(=O)COC(C)CF 34a_100016041109_100000183359 [0,1,0,0,0,1|2,0,0]=4 1579 B9R0.24 CNC(=O)COC(C)CF 7a_100016041109_100000183359 [0,1,0,0,0,1|2,0,0]=4 1580 B9R0.24 CNC(=O)COC(C)CN 34a_100000210904_100000183359 [0,1,0,0,0,1|2,0,0]=4 1581 B9R0.24 CNC(=O)COC(C)CO 34a_100000750040_100012180447 [0,1,0,0,0,1|1,0,0]=3 1582 B9R0.24 CNC(=O)CSC(C)CO 62a_100012180447_100000183359 [0,1,0,0,0,1|1,0,0]=3 1583 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100000183359_100016084084 [0,1,0,0,0,1|1,0,0]=3 1584 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100016084084_100000183359 [0,1,0,0,0,1|1,0,0]=3 1585 B9R0.24 CNC(=O)NCC(C)CO 2708a_100102657272_100000744482 [0,1,0,0,0,1|1,0,0]=3 1586 B9R0.24 CNC(=O)NCC(C)CO 273464a_100000744482_100102657272 [0,1,0,0,0,1|1,0,0]=3 1587 B9R0.24 CNC(=O)NCC(C)CO 273464a_100102657272_100000744482 [0,1,0,0,0,1|1,0,0]=3 1588 B9R0.24 CNC(=O)NCC(C)CO 512a_100000744482_100102657272 [0,1,0,0,0,1|1,0,0]=3 1589 B9R0.24 CNC(=O)NCC(C)CO 512a_106832991638_100000744482 [0,1,0,0,0,1|1,0,0]=3 1590 B9R0.24 CNC(=O)NC[C@@H](F)CO 2708a_100102657272_100015665980 [0,1,0,0,0,1|2,0,0]=4 1591 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100015665980_100102657272 [0,1,0,0,0,1|2,0,0]=4 1592 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100102657272_100015665980 [0,1,0,0,0,1|2,0,0]=4 1593 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_100015665980_100102657272 [0,1,0,0,0,1|2,0,0]=4 1594 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_106832991638_100015665980 [0,1,0,0,0,1|2,0,0]=4 1595 B9R0.24 CNC(=O)NC[C@H](O)CO 2708a_100102657272_100020644852 [0,1,0,0,0,1|2,0,0]=4 1596 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100020644852_100102657272 [0,1,0,0,0,1|2,0,0]=4 1597 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100102657272_100020644852 [0,1,0,0,0,1|2,0,0]=4 1598 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,1,0,0,0,1|2,0,0]=4 1599 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [0,1,0,0,0,1|1,0,1]=4 1600 B9R0.24 COC(=O)CNC(C)C#N 2230a_100000737613_100000747449 [0,1,0,0,0,1|1,0,1]=4 1601 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,1,0,0,0,1|0,0,0]=2 1602 B9R0.24 COC(=O)COC(C)C#N 34a_100011218135_100000747449 [0,1,0,0,0,1|1,0,1]=4 1603 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,1,0,0,0,1|1,0,0]=3 1604 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,1,0,0,0,1|1,0,0]=3 1605 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,1,0,0,0,1|1,0,0]=3 1606 B9R0.24 COC(=O)CSC(C)C#N 62a_100000703298_100000747449 [0,1,0,0,0,1|1,0,1]=4 1607 B9R0.24 COC(=O)CSC(C)C#N 62a_100000747449_100000703298 [0,1,0,0,0,1|1,0,1]=4 1608 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,1,0,0,0,1|0,0,0]=2 1609 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,1,0,0,0,1|2,0,0]=4 1610 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,1,0,0,0,1|2,0,0]=4 1611 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,1,0,0,0,1|0,0,0]=2 1612 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,1,0,0,0,1|0,0,0]=2 1613 B9R0.24 COC(C)COC(C)CO 34a_100000690652_100012180447 [0,1,0,0,0,1|1,0,1]=4 1614 B9R0.24 COC(C)SC[C@@H](C)CO 62a_100000059175_100009879195 [0,1,0,0,0,1|1,0,1]=4 1615 B9R0.24 COC(C)SC[C@@H](C)CO 62a_100009879195_100000059175 [0,1,0,0,0,1|1,0,1]=4 1616 B9R0.24 CO[C@H](C)CNC(=O)CO 240690a_100020591295_100000210174 [0,1,0,0,0,1|2,0,0]=4 1617 B9R0.24 CO[C@H](C)CNC(=O)CO 527a_100020591295_100000210174 [0,1,0,0,0,1|2,0,0]=4 1618 B9R0.24 CO[C@H](C)CNC(C)CO 2230a_100020591295_100012180447 [0,1,0,0,0,1|1,0,1]=4 1619 B9R0.24 C[C@@H](CO)CN[C@H](C)CO 2230a_100000737577_100000059175 [0,1,0,0,0,1|1,0,1]=4 1620 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100000059175_100016084084 [0,1,0,0,0,1|1,0,1]=4 1621 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100016084084_100000059175 [0,1,0,0,0,1|1,0,1]=4 1622 B9R0.24 C[C@H](CO)NCC(O)CO 2230a_100000737577_100011219619 [0,1,0,0,0,1|0,0,2]=4 1623 B9R0.24 C[C@H](CO)NC[C@@H](O)CF 2230a_100000737577_100015614560 [0,1,0,0,0,1|1,0,1]=4 1624 B9R0.24 C[C@H](CO)NC[C@@H](O)CO 2230a_100000737577_100009815848 [0,1,0,0,0,1|0,0,2]=4 1625 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100011219619_100016084084 [0,1,0,0,0,1|0,0,2]=4 1626 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100016084084_100011219619 [0,1,0,0,0,1|0,0,2]=4 1627 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100015614560_100016084084 [0,1,0,0,0,1|1,0,1]=4 1628 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100016084084_100015614560 [0,1,0,0,0,1|1,0,1]=4 1629 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100009815848_100016084084 [0,1,0,0,0,1|0,0,2]=4 1630 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100016084084_100009815848 [0,1,0,0,0,1|0,0,2]=4 1631 B9R0.24 O=C(CO)NC[C@@H](F)CO 240690a_100015665980_100000210174 [0,1,0,0,0,1|1,0,0]=3 1632 B9R0.24 O=C(CO)NC[C@@H](F)CO 527a_100015665980_100000210174 [0,1,0,0,0,1|1,0,0]=3 1633 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [0,1,0,0,0,1|1,0,0]=3 1634 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [0,1,0,0,0,1|1,0,0]=3 1635 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200000035995 [0,1,0,0,0,1|1,0,1]=4 1636 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [0,1,0,0,0,1|2,0,0]=4 1637 B9R0.42 C=C(C)C(C)N[C@H](C)CO 269862a_100000737577_100011216138 [0,1,0,0,0,1|2,0,0]=4 1638 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [0,1,0,0,0,1|1,0,1]=4 1639 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,1,0,0,0,1|1,0,0]=3 1640 B9R0.42 CC(=O)C(C)OC(C)CF 7a_100016041109_100000179758 [0,1,0,0,0,1|2,0,0]=4 1641 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,1,0,0,0,1|1,0,0]=3 1642 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,1,0,0,0,1|1,0,0]=3 1643 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,1,0,0,0,1|1,0,0]=3 1644 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,1,0,0,0,1|1,0,0]=3 1645 B9R0.42 CC(=O)N(C)CC(O)CO 240690a_100011216503_100015343762 [0,1,0,0,0,1|2,0,0]=4 1646 B9R0.42 CC(=O)N(C)CC(O)CO 527a_100011216503_100103153847 [0,1,0,0,0,1|2,0,0]=4 1647 B9R0.42 CC(C#N)N[C@@H](C)C(=O)O 269956a_100000743915_100000184139 [0,1,0,0,0,1|1,0,1]=4 1648 B9R0.42 CC(CF)OC(C)C(=O)N 34a_100016041109_100000702099 [0,1,0,0,0,1|2,0,0]=4 1649 B9R0.42 CC(CF)OC(C)C(=O)N 7a_100016041109_100000702099 [0,1,0,0,0,1|2,0,0]=4 1650 B9R0.42 CC(CF)OC(F)C(=O)N 34a_100016041109_100009813875 [0,1,0,0,0,1|2,0,0]=4 1651 B9R0.42 CC(CF)OC(F)C(=O)N 7a_100016041109_100009813875 [0,1,0,0,0,1|2,0,0]=4 1652 B9R0.42 CC(CF)OC(F)C(=O)[O-] 34a_100016041109_100020610796 [0,1,0,0,0,1|1,0,1]=4 1653 B9R0.42 CC(CN)OC(C)C(=O)N 34a_100000210904_100000702099 [0,1,0,0,0,1|2,0,0]=4 1654 B9R0.42 CC(CN)OC(F)C(=O)N 34a_100000210904_100009813875 [0,1,0,0,0,1|2,0,0]=4 1655 B9R0.42 CC(CN)OC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,1,0,0,0,1|1,0,1]=4 1656 B9R0.42 CC(CO)N[C@H](C)C(=O)N 2230a_100000119354_100012180447 [0,1,0,0,0,1|1,0,0]=3 1657 B9R0.42 CC(CO)N[C@H](C)C(=O)N 34a_100000119354_100012180447 [0,1,0,0,0,1|1,0,0]=3 1658 B9R0.42 CC(CO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100012180447 [0,1,0,0,0,1|0,0,1]=3 1659 B9R0.42 CC(CO)O[C@H](C)C(=O)N 34a_100000731257_100012180447 [0,1,0,0,0,1|1,0,0]=3 1660 B9R0.42 CC(CO)O[C@H](C)C(=O)N 7a_100000731257_100012180447 [0,1,0,0,0,1|1,0,0]=3 1661 B9R0.42 CC(CO)SC(C)C(=O)N 62a_100012180447_100000702099 [0,1,0,0,0,1|1,0,0]=3 1662 B9R0.42 CC(CO)SC(F)C(=O)N 62a_100012180447_100009813875 [0,1,0,0,0,1|1,0,0]=3 1663 B9R0.42 CC(CO)SC(F)C(=O)[O-] 62a_100012180447_100020610796 [0,1,0,0,0,1|0,0,1]=3 1664 B9R0.42 CC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000702099 [0,1,0,0,0,1|1,0,0]=3 1665 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100000702099_100016084084 [0,1,0,0,0,1|1,0,0]=3 1666 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000702099 [0,1,0,0,0,1|1,0,0]=3 1667 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,1,0,0,0,1|2,0,0]=4 1668 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,1,0,0,0,1|2,0,0]=4 1669 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,1,0,0,0,1|2,0,0]=4 1670 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,1,0,0,0,1|2,0,0]=4 1671 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,1,0,0,0,1|2,0,0]=4 1672 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,1,0,0,0,1|2,0,0]=4 1673 B9R0.42 CCC(C)NC(F)C(=O)N 2230a_100000209981_100009813875 [0,1,0,0,0,1|2,0,0]=4 1674 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,0,0,0,1|1,0,0]=3 1675 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,1,0,0,0,1|2,0,0]=4 1676 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,1,0,0,0,1|2,0,0]=4 1677 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,1,0,0,0,1|2,0,0]=4 1678 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,1,0,0,0,1|2,0,0]=4 1679 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [0,1,0,0,0,1|2,0,0]=4 1680 B9R0.42 CCC(C)OC(F)C(=O)N 7a_100000210228_100009813875 [0,1,0,0,0,1|2,0,0]=4 1681 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [0,1,0,0,0,1|1,0,1]=4 1682 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [0,1,0,0,0,1|2,0,0]=4 1683 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [0,1,0,0,0,1|2,0,0]=4 1684 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,1,0,0,0,1|2,0,0]=4 1685 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,1,0,0,0,1|2,0,0]=4 1686 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,1,0,0,0,1|2,0,0]=4 1687 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,1,0,0,0,1|2,0,0]=4 1688 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100000758301_100009813875 [0,1,0,0,0,1|2,0,0]=4 1689 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100009813875_100000758301 [0,1,0,0,0,1|2,0,0]=4 1690 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100000758301_100020610796 [0,1,0,0,0,1|1,0,1]=4 1691 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000758301 [0,1,0,0,0,1|1,0,1]=4 1692 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,1,0,0,0,1|2,0,0]=4 1693 B9R0.42 C[C@@H](CO)CC(=O)C(O)O 1458a_100000233687_100000059175 [0,1,0,0,0,1|0,0,2]=4 1694 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,1,0,0,0,1|1,0,1]=4 1695 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,1,0,0,0,1|1,0,1]=4 1696 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 240690a_100000737577_100011215815 [0,1,0,0,0,1|1,0,1]=4 1697 B9R0.42 C[C@H](CO)NC(F)C(=O)N 2230a_100000737577_100009813875 [0,1,0,0,0,1|1,0,0]=3 1698 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,1,0,0,0,1|0,0,0]=2 1699 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100009813875_100016084084 [0,1,0,0,0,1|1,0,0]=3 1700 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100016084084_100009813875 [0,1,0,0,0,1|1,0,0]=3 1701 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100016084084_100020610796 [0,1,0,0,0,1|0,0,1]=3 1702 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100020610796_100016084084 [0,1,0,0,0,1|0,0,1]=3 1703 B9R0.43 C=C(C)CNC(CO)CO 2230a_100000759517_100000748629 [0,1,0,0,0,1|2,0,0]=4 1704 B9R0.43 C=C(C)CN[C@@H](CC)CO 2230a_100000709445_100000748629 [0,1,0,0,0,1|2,0,0]=4 1705 B9R0.43 C=C(F)CNC(CO)CO 2230a_100000759517_100009893438 [0,1,0,0,0,1|2,0,0]=4 1706 B9R0.43 C=C(F)CN[C@@H](CC)CO 2230a_100000709445_100009893438 [0,1,0,0,0,1|2,0,0]=4 1707 B9R0.43 C=C[C@@H](CO)NCC(=O)N 2230a_100016989147_100000747473 [0,1,0,0,0,1|1,0,1]=4 1708 B9R0.43 C=C[C@@H](CO)NCC(=O)N 34a_100016989147_100000187820 [0,1,0,0,0,1|1,0,1]=4 1709 B9R0.43 C=C[C@@H](CO)NCC(=O)[O-] 34a_100016989147_100020667443 [0,1,0,0,0,1|0,0,2]=4 1710 B9R0.43 CC(=O)OCC(CCl)O[13CH3] 7a_200000139349_200025704644 [0,1,0,0,0,1|2,0,0]=4 1711 B9R0.43 CC(O)CNC(CO)CO 2230a_100000759517_100011218427 [0,1,0,0,0,1|1,0,1]=4 1712 B9R0.43 CCC(CC)CNC(=O)C 11a_100102946423_100015343762 [0,1,0,0,0,1|2,0,0]=4 1713 B9R0.43 CCC(CC)CNC(=O)C 1626a_100102946423_100015343762 [0,1,0,0,0,1|2,0,0]=4 1714 B9R0.43 CCC(CC)CNC(=O)C 240690a_100102946423_100015343762 [0,1,0,0,0,1|2,0,0]=4 1715 B9R0.43 CCC(CC)CNC(=O)C 527a_100102946423_100103153847 [0,1,0,0,0,1|2,0,0]=4 1716 B9R0.43 CCC(CC)NCC(=O)N 2230a_100000199018_100000747473 [0,1,0,0,0,1|2,0,0]=4 1717 B9R0.43 CCC(CC)NCC(=O)O 269956a_100016091260_100000210505 [0,1,0,0,0,1|1,0,0]=3 1718 B9R0.43 CCC(CC)OCC(=O)C 1458a_100012002705_200000210301 [0,1,0,0,0,1|2,0,0]=4 1719 B9R0.43 CCC(CC)OCC(=O)N 7a_100000688536_100000187820 [0,1,0,0,0,1|2,0,0]=4 1720 B9R0.43 CCC(CC)OCC(=O)[13CH3] 1458a_100012002705_200025704644 [0,1,0,0,0,1|2,0,0]=4 1721 B9R0.43 CCC(CC)SCC(=O)N 62a_100000210505_100000747473 [0,1,0,0,0,1|2,0,0]=4 1722 B9R0.43 CCC(CC)SCC(=O)N 62a_100000747473_100000210505 [0,1,0,0,0,1|2,0,0]=4 1723 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100000210505_100020667443 [0,1,0,0,0,1|1,0,1]=4 1724 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100020667443_100000210505 [0,1,0,0,0,1|1,0,1]=4 1725 B9R0.43 CCC(CNC(=O)C)OC 11a_100000731041_100015343762 [0,1,0,0,0,1|2,0,0]=4 1726 B9R0.43 CCC(CNC(=O)C)OC 1626a_100000731041_100015343762 [0,1,0,0,0,1|2,0,0]=4 1727 B9R0.43 CCC(CNC(=O)C)OC 240690a_100000731041_100015343762 [0,1,0,0,0,1|2,0,0]=4 1728 B9R0.43 CCC(CNC(=O)C)OC 527a_100000731041_100103153847 [0,1,0,0,0,1|2,0,0]=4 1729 B9R0.43 CC[C@@H](CO)NCC(=O)N 2230a_100000709445_100000747473 [0,1,0,0,0,1|1,0,0]=3 1730 B9R0.43 CC[C@@H](CO)NCC(C)O 2230a_100000709445_100011218427 [0,1,0,0,0,1|1,0,1]=4 1731 B9R0.43 CC[C@@H](CO)NC[C@@H](C)O 2230a_100000709445_100009817552 [0,1,0,0,0,1|1,0,1]=4 1732 B9R0.43 COC(CCl)COC(=O)C 7a_200000139349_200000210301 [0,1,0,0,0,1|2,0,0]=4 1733 B9R0.43 C[C@@H](O)CNC(CO)CO 2230a_100000759517_100009817552 [0,1,0,0,0,1|1,0,1]=4 1734 B9R0.43 NC(=O)CNC(CO)CO 2230a_100000759517_100000747473 [0,1,0,0,0,1|1,0,0]=3 1735 B9R0.43 NC(=O)COC(CCl)CCl 7a_100000737055_100000187820 [0,1,0,0,0,1|2,0,0]=4 1736 B9R0.43 NC(=O)COC(CF)CF 34a_100000032261_100000187820 [0,1,0,0,0,1|2,0,0]=4 1737 B9R0.43 NC(=O)COC(CF)CF 7a_100000032261_100000187820 [0,1,0,0,0,1|2,0,0]=4 1738 B9R0.43 NC(=O)CO[C@@H](CF)CCl 34a_100015614560_100000187820 [0,1,0,0,0,1|2,0,0]=4 1739 B9R0.43 NC(=O)CO[C@@H](CF)CCl 7a_100015614560_100000187820 [0,1,0,0,0,1|2,0,0]=4 1740 B9R0.43 NCC(CN)OCC(=O)N 34a_100000031598_100000187820 [0,1,0,0,0,1|2,0,0]=4 1741 B9R0.43 NCC(CN)OCC(=O)[O-] 34a_100000031598_100020667443 [0,1,0,0,0,1|1,0,1]=4 1742 B9R0.43 O=C([O-])COC(CF)CF 34a_100000032261_100020667443 [0,1,0,0,0,1|1,0,1]=4 1743 B9R0.43 O=C([O-])CO[C@@H](CF)CCl 34a_100015614560_100020667443 [0,1,0,0,0,1|1,0,1]=4 1744 B9R0.48 C#CCC(C)OCC(=O)N 34a_100000685586_100000187820 [0,1,0,0,0,1|2,0,0]=4 1745 B9R0.48 C#CCC(C)OCC(=O)N 7a_100000685586_100000187820 [0,1,0,0,0,1|2,0,0]=4 1746 B9R0.48 C#CCC(C)OCC(=O)[O-] 34a_100000685586_100020667443 [0,1,0,0,0,1|1,0,1]=4 1747 B9R0.48 C=C(C)CN[C@H](C)CCO 2230a_100000706166_100000748629 [0,1,0,0,0,1|2,0,0]=4 1748 B9R0.48 C=C(C)CN[C@H](C)CCO 34a_100000706166_100000748629 [0,1,0,0,0,1|2,0,0]=4 1749 B9R0.48 C=C(C)CN[C@H](C)COC 2230a_100000764878_100000748629 [0,1,0,0,0,1|2,0,0]=4 1750 B9R0.48 C=C(C)COC(C)CCO 34a_100000210245_100009893172 [0,1,0,0,0,1|2,0,0]=4 1751 B9R0.48 C=C(C)COC(C)COC 34a_100000210245_100000765312 [0,1,0,0,0,1|2,0,0]=4 1752 B9R0.48 C=C(C)CO[C@H](C)COC 34a_100011934205_100000748629 [0,1,0,0,0,1|2,0,0]=4 1753 B9R0.48 C=C(C)CSC(C)CCO 62a_100000748629_100009893172 [0,1,0,0,0,1|2,0,0]=4 1754 B9R0.48 C=C(C)CSC(C)CCO 62a_100009893172_100000211660 [0,1,0,0,0,1|2,0,0]=4 1755 B9R0.48 C=C(C)CSC(C)COC 62a_100000748629_100000765312 [0,1,0,0,0,1|2,0,0]=4 1756 B9R0.48 C=C(C)CSC(C)COC 62a_100000765312_100000211660 [0,1,0,0,0,1|2,0,0]=4 1757 B9R0.48 C=C(F)CN[C@H](C)CCO 2230a_100000706166_100009893438 [0,1,0,0,0,1|2,0,0]=4 1758 B9R0.48 C=C(F)CN[C@H](C)CCO 34a_100000706166_100009893438 [0,1,0,0,0,1|2,0,0]=4 1759 B9R0.48 C=C(F)CN[C@H](C)COC 2230a_100000764878_100009893438 [0,1,0,0,0,1|2,0,0]=4 1760 B9R0.48 C=C(F)COC(C)CCO 34a_200010262243_100009893172 [0,1,0,0,0,1|2,0,0]=4 1761 B9R0.48 C=C(F)COC(C)COC 34a_200010262243_100000765312 [0,1,0,0,0,1|2,0,0]=4 1762 B9R0.48 C=C(F)CO[C@H](C)COC 34a_100011934205_100009893438 [0,1,0,0,0,1|2,0,0]=4 1763 B9R0.48 C=C(F)CSC(C)CCO 62a_100000042424_100009893172 [0,1,0,0,0,1|2,0,0]=4 1764 B9R0.48 C=C(F)CSC(C)CCO 62a_100009893172_100000042424 [0,1,0,0,0,1|2,0,0]=4 1765 B9R0.48 C=C(F)CSC(C)COC 62a_100000042424_100000765312 [0,1,0,0,0,1|2,0,0]=4 1766 B9R0.48 C=C(F)CSC(C)COC 62a_100000765312_100000042424 [0,1,0,0,0,1|2,0,0]=4 1767 B9R0.48 C=CC[C@@H](C)OCC(=O)N 34a_100000731007_100000187820 [0,1,0,0,0,1|2,0,0]=4 1768 B9R0.48 C=CC[C@@H](C)OCC(=O)N 7a_100000731007_100000187820 [0,1,0,0,0,1|2,0,0]=4 1769 B9R0.48 C=CC[C@@H](C)OCC(=O)[O-] 34a_100000731007_100020667443 [0,1,0,0,0,1|1,0,1]=4 1770 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,1,0,0,0,1|2,0,0]=4 1771 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [0,1,0,0,0,1|1,0,0]=3 1772 B9R0.48 CC(=O)OCN(C)CCO 269982a_100000210263_100000076356 [0,1,0,0,0,1|2,0,0]=4 1773 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200000116872_200025704644 [0,1,0,0,0,1|1,1,0]=4 1774 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200025704644_200000116872 [0,1,0,0,0,1|1,1,0]=4 1775 B9R0.48 CC(CC#N)NCC(=O)N 2230a_100000711301_100009813641 [0,1,0,0,0,1|2,0,0]=4 1776 B9R0.48 CC(CC#N)NCC(=O)O 269956a_100016091260_100009813641 [0,1,0,0,0,1|1,0,0]=3 1777 B9R0.48 CC(CC#N)SCC(=O)N 62a_100000747473_100009813641 [0,1,0,0,0,1|2,0,0]=4 1778 B9R0.48 CC(CC#N)SCC(=O)N 62a_100009813641_100000747473 [0,1,0,0,0,1|2,0,0]=4 1779 B9R0.48 CC(CC#N)SCC(=O)[O-] 62a_100009813641_100020667443 [0,1,0,0,0,1|1,0,1]=4 1780 B9R0.48 CC(CC#N)SCC(=O)[O-] 62a_100020667443_100009813641 [0,1,0,0,0,1|1,0,1]=4 1781 B9R0.48 CC(CCBr)OCC(=O)N 34a_100012276601_100000187820 [0,1,0,0,0,1|2,0,0]=4 1782 B9R0.48 CC(CCBr)OCC(=O)[O-] 34a_100012276601_100020667443 [0,1,0,0,0,1|1,0,1]=4 1783 B9R0.48 CC(CCO)NCC(=O)N 2230a_100000711301_100009893172 [0,1,0,0,0,1|1,0,0]=3 1784 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,1,0,0,0,1|0,0,0]=2 1785 B9R0.48 CC(CCO)SCC(=O)N 62a_100000747473_100009893172 [0,1,0,0,0,1|1,0,0]=3 1786 B9R0.48 CC(CCO)SCC(=O)N 62a_100009893172_100000747473 [0,1,0,0,0,1|1,0,0]=3 1787 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100009893172_100020667443 [0,1,0,0,0,1|0,0,1]=3 1788 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100020667443_100009893172 [0,1,0,0,0,1|0,0,1]=3 1789 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009817552_100009893172 [0,1,0,0,0,1|1,0,1]=4 1790 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009893172_100009817552 [0,1,0,0,0,1|1,0,1]=4 1791 B9R0.48 CC(CCO)SC[N+](=O)[O-] 62a_100009893172_100000761209 [0,1,0,0,0,1|1,0,1]=4 1792 B9R0.48 CC(O)CNC(C)CCO 2230a_100000210904_100009893172 [0,1,0,0,0,1|1,0,1]=4 1793 B9R0.48 CC(O)CNC(C)CCO 34a_100000210904_100009893172 [0,1,0,0,0,1|1,0,1]=4 1794 B9R0.48 CC(O)CN[C@H](C)CCO 2230a_100000706166_100011218427 [0,1,0,0,0,1|1,0,1]=4 1795 B9R0.48 CC(O)CN[C@H](C)CCO 34a_100000706166_100011218427 [0,1,0,0,0,1|1,0,1]=4 1796 B9R0.48 CC(O)CSC(C)CCO 62a_100009893172_100011218427 [0,1,0,0,0,1|1,0,1]=4 1797 B9R0.48 CC(O)CSC(C)CCO 62a_100011218427_100009893172 [0,1,0,0,0,1|1,0,1]=4 1798 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [0,1,0,0,0,1|2,0,0]=4 1799 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [0,1,0,0,0,1|2,0,0]=4 1800 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,1,0,0,0,1|1,0,0]=3 1801 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,1,0,0,0,1|2,0,0]=4 1802 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [0,1,0,0,0,1|2,0,0]=4 1803 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [0,1,0,0,0,1|2,0,0]=4 1804 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [0,1,0,0,0,1|1,0,1]=4 1805 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [0,1,0,0,0,1|2,0,0]=4 1806 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [0,1,0,0,0,1|2,0,0]=4 1807 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [0,1,0,0,0,1|1,0,1]=4 1808 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [0,1,0,0,0,1|1,0,1]=4 1809 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,1,0,0,0,1|2,0,0]=4 1810 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000210263_100000744528 [0,1,0,0,0,1|2,0,0]=4 1811 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000730477_100000211926 [0,1,0,0,0,1|2,0,0]=4 1812 B9R0.48 CN(CCO)CCC(=O)N 269982a_100000210263_100000744528 [0,1,0,0,0,1|2,0,0]=4 1813 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [0,1,0,0,0,1|2,0,0]=4 1814 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [0,1,0,0,0,1|2,0,0]=4 1815 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [0,1,0,0,0,1|2,0,0]=4 1816 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [0,1,0,0,0,1|1,0,0]=3 1817 B9R0.48 COCC(C)NCC(=O)N 2230a_100000711301_100000765312 [0,1,0,0,0,1|1,0,0]=3 1818 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,1,0,0,0,1|0,0,0]=2 1819 B9R0.48 COCC(C)NCC(C)O 2230a_100000210904_100000765312 [0,1,0,0,0,1|1,0,1]=4 1820 B9R0.48 COCC(C)NCC(C)O 270004a_100000210904_100000749346 [0,1,0,0,0,1|1,0,1]=4 1821 B9R0.48 COCC(C)NCC(C)O 34a_100000210904_100000765312 [0,1,0,0,0,1|1,0,1]=4 1822 B9R0.48 COCC(C)OCC(=O)C 34a_100000211253_100000765312 [0,1,0,0,0,1|1,0,0]=3 1823 B9R0.48 COCC(C)SCC(=O)N 62a_100000747473_100000765312 [0,1,0,0,0,1|1,0,0]=3 1824 B9R0.48 COCC(C)SCC(=O)N 62a_100000765312_100000747473 [0,1,0,0,0,1|1,0,0]=3 1825 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100000765312_100020667443 [0,1,0,0,0,1|0,0,1]=3 1826 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100020667443_100000765312 [0,1,0,0,0,1|0,0,1]=3 1827 B9R0.48 COCC(C)SCC(C)O 62a_100000765312_100011218427 [0,1,0,0,0,1|1,0,1]=4 1828 B9R0.48 COCC(C)SCC(C)O 62a_100011218427_100000765312 [0,1,0,0,0,1|1,0,1]=4 1829 B9R0.48 COCC(C)SC[C@@H](C)O 62a_100000765312_100009817552 [0,1,0,0,0,1|1,0,1]=4 1830 B9R0.48 COCC(C)SC[C@@H](C)O 62a_100009817552_100000765312 [0,1,0,0,0,1|1,0,1]=4 1831 B9R0.48 COCC(C)SC[N+](=O)[O-] 62a_100000765312_100000761209 [0,1,0,0,0,1|1,0,1]=4 1832 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [0,1,0,0,0,1|2,0,0]=4 1833 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [0,1,0,0,0,1|2,0,0]=4 1834 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [0,1,0,0,0,1|2,0,0]=4 1835 B9R0.48 COCN(C)CCC(=O)N 2230a_100000730477_100000766300 [0,1,0,0,0,1|2,0,0]=4 1836 B9R0.48 COC[C@@H](C)NCC(=O)N 2230a_100000764878_100000747473 [0,1,0,0,0,1|1,0,0]=3 1837 B9R0.48 COC[C@@H](C)NCC(C)O 2230a_100000764878_100011218427 [0,1,0,0,0,1|1,0,1]=4 1838 B9R0.48 COC[C@@H](C)NC[C@@H](C)O 2230a_100000764878_100009817552 [0,1,0,0,0,1|1,0,1]=4 1839 B9R0.48 COC[C@@H](C)OCC(=O)N 34a_100011934205_100000187820 [0,1,0,0,0,1|1,0,0]=3 1840 B9R0.48 COC[C@@H](C)OCC(=O)[O-] 34a_100011934205_100020667443 [0,1,0,0,0,1|0,0,1]=3 1841 B9R0.48 COC[C@@H](C)OCC(C)O 34a_100011934205_100011218427 [0,1,0,0,0,1|1,0,1]=4 1842 B9R0.48 COC[C@@H](C)OC[C@@H](C)O 34a_100011934205_100009817552 [0,1,0,0,0,1|1,0,1]=4 1843 B9R0.48 COC[C@@H](C)OC[N+](=O)[O-] 34a_100011934205_100000761209 [0,1,0,0,0,1|1,0,1]=4 1844 B9R0.48 CSCC(C)CSC(=O)C 62a_200000116872_200000210301 [0,1,0,0,0,1|1,1,0]=4 1845 B9R0.48 CSCC(C)CSC(=O)C 62a_200000210301_200000116872 [0,1,0,0,0,1|1,1,0]=4 1846 B9R0.48 C[C@@H](CC#N)NCC(=O)N 2230a_100016994482_100000747473 [0,1,0,0,0,1|2,0,0]=4 1847 B9R0.48 C[C@H](CCO)NCC(=O)N 2230a_100000706166_100000747473 [0,1,0,0,0,1|1,0,0]=3 1848 B9R0.48 C[C@H](CCO)NCC(=O)N 34a_100000706166_100000187820 [0,1,0,0,0,1|1,0,0]=3 1849 B9R0.48 C[C@H](CCO)NCC(=O)[O-] 34a_100000706166_100020667443 [0,1,0,0,0,1|0,0,1]=3 1850 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 2230a_100000706166_100009817552 [0,1,0,0,0,1|1,0,1]=4 1851 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 34a_100000706166_100009817552 [0,1,0,0,0,1|1,0,1]=4 1852 B9R0.48 C[C@H](CCO)NC[N+](=O)[O-] 34a_100000706166_100000761209 [0,1,0,0,0,1|1,0,1]=4 1853 B9R0.64 C#CC(C)(C)NCC(=O)O 269956a_100016091260_100000038118 [0,1,0,0,0,1|1,0,1]=4 1854 B9R0.64 C=C(C)CNC(C)(C)CO 2230a_100000210608_100000748629 [0,1,0,0,0,1|2,0,0]=4 1855 B9R0.64 C=C(F)CNC(C)(C)CO 2230a_100000210608_100009893438 [0,1,0,0,0,1|2,0,0]=4 1856 B9R0.64 CC(=O)NCC(C)(C)CO 240690a_100020635058_100015343762 [0,1,0,0,0,1|1,0,0]=3 1857 B9R0.64 CC(=O)NCC(C)(C)CO 527a_100020635058_100103153847 [0,1,0,0,0,1|1,0,0]=3 1858 B9R0.64 CC(=O)NCC(F)(F)CO 240690a_100000703232_100015343762 [0,1,0,0,0,1|2,0,0]=4 1859 B9R0.64 CC(=O)NCC(F)(F)CO 527a_100000703232_100103153847 [0,1,0,0,0,1|2,0,0]=4 1860 B9R0.64 CC(C)(CCl)OCC(=O)N 7a_100000764493_100000187820 [0,1,0,0,0,1|2,0,0]=4 1861 B9R0.64 CC(C)(CO)NCC(=O)N 2230a_100000210608_100000747473 [0,1,0,0,0,1|1,0,0]=3 1862 B9R0.64 CC(O)CNC(C)(C)CO 2230a_100000210608_100011218427 [0,1,0,0,0,1|1,0,1]=4 1863 B9R0.64 CCC(C)(C)NCC(=O)N 2230a_100000211385_100000747473 [0,1,0,0,0,1|2,0,0]=4 1864 B9R0.64 CCC(C)(C)NCC(=O)O 269956a_100016091260_100000032637 [0,1,0,0,0,1|1,0,0]=3 1865 B9R0.64 CCC(C)(C)OCC(=O)N 7a_100000210230_100000187820 [0,1,0,0,0,1|2,0,0]=4 1866 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000032637_100000747473 [0,1,0,0,0,1|2,0,0]=4 1867 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000747473_100000032637 [0,1,0,0,0,1|2,0,0]=4 1868 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100000032637_100020667443 [0,1,0,0,0,1|1,0,1]=4 1869 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100020667443_100000032637 [0,1,0,0,0,1|1,0,1]=4 1870 B9R0.64 C[C@@H](O)CNC(C)(C)CO 2230a_100000210608_100009817552 [0,1,0,0,0,1|1,0,1]=4 1871 B9R0.64 NC(=O)CSC(F)(F)CO 62a_100000747473_100011217949 [0,1,0,0,0,1|2,0,0]=4 1872 B9R0.64 NC(=O)CSC(F)(F)CO 62a_100011217949_100000747473 [0,1,0,0,0,1|2,0,0]=4 1873 B9R0.64 O=C(O)CNC(F)(F)CO 269956a_100016091260_100011217949 [0,1,0,0,0,1|1,0,0]=3 1874 B9R0.64 O=C([O-])CSC(F)(F)CO 62a_100011217949_100020667443 [0,1,0,0,0,1|1,0,1]=4 1875 B9R0.64 O=C([O-])CSC(F)(F)CO 62a_100020667443_100011217949 [0,1,0,0,0,1|1,0,1]=4 1876 B9R0.6 C#CCN(C)C(C)C(=O)O 269956a_100000749554_100000184674 [0,2,0,0,0,0|2,0,0]=4 1877 B9R0.6 C=CCN(C)C(C)C(=O)O 269956a_100000749554_100000210623 [0,2,0,0,0,0|2,0,0]=4 1878 B9R0.6 CC(=O)C(C)N(C)CCO 2230a_100000210263_100009814033 [0,2,0,0,0,0|2,0,0]=4 1879 B9R0.6 CC(=O)C(C)N(C)CCO 269982a_100000210263_100009814033 [0,2,0,0,0,0|2,0,0]=4 1880 B9R0.6 CC(=O)N(C)C(C)CCO 240690a_100000731037_100015343762 [0,2,0,0,0,0|2,0,0]=4 1881 B9R0.6 CC(=O)N(C)C(C)CCO 527a_100000731037_100103153847 [0,2,0,0,0,0|2,0,0]=4 1882 B9R0.6 CC(C(=O)N)N(C)CCO 2230a_100000210263_100000702099 [0,2,0,0,0,0|2,0,0]=4 1883 B9R0.6 CC(C(=O)N)N(C)CCO 269982a_100000210263_100000184083 [0,2,0,0,0,0|2,0,0]=4 1884 B9R0.6 CC(C(=O)O)N(C)CC#N 269956a_100000749554_100011215382 [0,2,0,0,0,0|2,0,0]=4 1885 B9R0.6 CC(C(=O)O)N(C)CC=O 269956a_100000749554_200015260668 [0,2,0,0,0,0|1,0,1]=4 1886 B9R0.6 CC(C(=O)O)N(C)CCF 269956a_100000749554_100011217306 [0,2,0,0,0,0|2,0,0]=4 1887 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [0,2,0,0,0,0|1,0,0]=3 1888 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [0,2,0,0,0,0|1,0,0]=3 1889 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [0,2,0,0,0,0|1,0,0]=3 1890 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,2,0,0,0,0|2,0,0]=4 1891 B9R0.6 CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210202 [0,2,0,0,0,0|2,0,0]=4 1892 B9R0.6 CN(CCO)C(F)C(=O)N 2230a_100000210263_100009813875 [0,2,0,0,0,0|2,0,0]=4 1893 B9R0.6 CN(CCO)C(F)C(=O)N 269982a_100000210263_100009813875 [0,2,0,0,0,0|2,0,0]=4 1894 B9R0.6 COCN(C)C(C)C(=O)O 269956a_100000749554_100000766300 [0,2,0,0,0,0|1,0,0]=3 1895 B9R0.6 CSCN(C)C(C)C(=O)O 269956a_100000749554_100011218213 [0,2,0,0,0,0|1,1,0]=4 1896 B9R0.6 C[C@@H](OCF)[C@H](N)C(=O)N 34a_100000003557_100015361967 [0,2,0,0,0,0|2,0,0]=4 1897 B9R0.27 C=CC(=O)N(C)C(C)CO 240690a_100000693034_200121576911 [0,2,0,0,0,0|2,0,0]=4 1898 B9R0.27 CC(CO)N(C)C(=O)CO 240690a_100000693034_100000210174 [0,2,0,0,0,0|1,0,0]=3 1899 B9R0.27 CC(CO)N(C)C(=O)CO 527a_100000693034_100000210174 [0,2,0,0,0,0|1,0,0]=3 1900 B9R0.27 CCC(=O)N(C)C(C)CO 240690a_100000693034_100000210414 [0,2,0,0,0,0|2,0,0]=4 1901 B9R0.27 CCC(=O)N(C)C(C)CO 527a_100000693034_100000210414 [0,2,0,0,0,0|2,0,0]=4 1902 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [0,2,0,0,0,0|2,0,0]=4 1903 B9R0.27 CCC(C)N(C)C(=O)CO 240690a_100000741768_100000210174 [0,2,0,0,0,0|2,0,0]=4 1904 B9R0.27 CCC(C)N(C)C(=O)CO 527a_100000741768_100000210174 [0,2,0,0,0,0|2,0,0]=4 1905 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000225621_100000211248 [0,2,0,0,0,0|2,0,0]=4 1906 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000725243_100000210202 [0,2,0,0,0,0|2,0,0]=4 1907 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000225621_100000211248 [0,2,0,0,0,0|2,0,0]=4 1908 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000725243_100000204670 [0,2,0,0,0,0|2,0,0]=4 1909 B9R0.27 CNC(=O)N(C)C(C)CO 2708a_100102657272_100000693034 [0,2,0,0,0,0|2,0,0]=4 1910 B9R0.27 CNC(=O)[C@H](O)[C@H](O)CO 240690a_100102657272_100015448053 [0,2,0,0,0,0|2,0,0]=4 1911 B9R0.27 COC(=O)C(C)C(=O)CO 1458a_100000210174_100000211248 [0,2,0,0,0,0|1,0,1]=4 1912 B9R0.27 COC(=O)C(C)N(C)CF 269982a_100000725243_100015361967 [0,2,0,0,0,0|2,0,0]=4 1913 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC 34a_100000004424_200000210301 [0,2,0,0,0,0|2,0,0]=4 1914 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100000004424_200025704644 [0,2,0,0,0,0|2,0,0]=4 1915 B9R0.27 O=C(CF)[C@H](O)[C@H](O)CO 1458a_100015448053_100015361967 [0,2,0,0,0,0|2,0,0]=4 1916 B9R0.29 CCN(C(=O)C)C(C)CO 240690a_100000731049_100015343762 [0,2,0,0,0,0|2,0,0]=4 1917 B9R0.29 CCN(C(=O)C)C(C)CO 527a_100000731049_100103153847 [0,2,0,0,0,0|2,0,0]=4 1918 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [0,2,0,0,0,0|2,0,0]=4 1919 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [0,2,0,0,0,0|1,0,0]=3 1920 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [0,2,0,0,0,0|1,0,0]=3 1921 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)N 2230a_100000758034_200000210301 [0,2,0,0,0,0|2,0,0]=4 1922 B9R0.29 CC[C@H](C)[C@H](N[13CH3])C(=O)N 2230a_100000758034_200025704644 [0,2,0,0,0,0|2,0,0]=4 1923 B9R0.29 CN(CF)[C@@H](CO)C(=O)O 269956a_100015362447_100015361967 [0,2,0,0,0,0|2,0,0]=4 1924 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [0,2,0,0,0,0|2,0,0]=4 1925 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [0,2,0,0,0,0|2,0,0]=4 1926 B9R0.32 CC(=O)N(C)C(C)(C)CO 240690a_100015204102_100015343762 [0,2,0,0,0,0|2,0,0]=4 1927 B9R0.32 CC(=O)N(C)C(C)(C)CO 527a_100015204102_100103153847 [0,2,0,0,0,0|2,0,0]=4 1928 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,2,0,0,0,0|2,0,0]=4 1929 B9R0.4 C#CCCN(C)CC(=O)O 269956a_100000746989_100000688953 [0,2,0,0,0,0|2,0,0]=4 1930 B9R0.4 C/C=C/CN(C)CC(=O)O 269956a_100000746989_100102629194 [0,2,0,0,0,0|2,0,0]=4 1931 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [0,2,0,0,0,0|2,0,0]=4 1932 B9R0.4 CC#CCN(C)CC(=O)O 269956a_100000746989_100000748600 [0,2,0,0,0,0|2,0,0]=4 1933 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [0,2,0,0,0,0|2,0,0]=4 1934 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [0,2,0,0,0,0|2,0,0]=4 1935 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,2,0,0,0,0|2,0,0]=4 1936 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,2,0,0,0,0|2,0,0]=4 1937 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [0,2,0,0,0,0|1,0,0]=3 1938 B9R0.4 CN(CCC#N)CC(=O)O 269956a_100000746989_100011215226 [0,2,0,0,0,0|2,0,0]=4 1939 B9R0.4 CN(CCC#N)CC(=O)O 269956a_100011218032_200000210301 [0,2,0,0,0,0|2,0,0]=4 1940 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [0,2,0,0,0,0|2,0,0]=4 1941 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000213112_100000747473 [0,2,0,0,0,0|2,0,0]=4 1942 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000739694_100000230001 [0,2,0,0,0,0|2,0,0]=4 1943 B9R0.4 CN(CCCO)CC(=O)N 269982a_100000213112_100000187820 [0,2,0,0,0,0|2,0,0]=4 1944 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [0,2,0,0,0,0|1,0,0]=3 1945 B9R0.4 CN(CCCO)CC(=O)[O-] 269982a_100000213112_100020667443 [0,2,0,0,0,0|1,0,1]=4 1946 B9R0.4 CN(CSC#N)CC(=O)O 269956a_100000746989_100000211825 [0,2,0,0,0,0|1,1,0]=4 1947 B9R0.4 COCCN(C)CC(=O)N 2230a_100000739694_100011201679 [0,2,0,0,0,0|2,0,0]=4 1948 B9R0.4 COCCN(C)CC(=O)N 2230a_100000743101_100000747473 [0,2,0,0,0,0|2,0,0]=4 1949 B9R0.4 COCCN(C)CC(=O)N 269982a_100000743101_100000187820 [0,2,0,0,0,0|2,0,0]=4 1950 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [0,2,0,0,0,0|1,0,0]=3 1951 B9R0.4 COCCN(C)CC(=O)[O-] 269982a_100000743101_100020667443 [0,2,0,0,0,0|1,0,1]=4 1952 B9R0.4 COCSC(C)OC(=O)C 62a_100000766300_100009818208 [0,2,0,0,0,0|2,0,0]=4 1953 B9R0.4 COCSC(C)OC(=O)C 62a_100009818208_100000766300 [0,2,0,0,0,0|2,0,0]=4 1954 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,2,0,0,0,0|1,1,0]=4 1955 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [0,2,0,0,0,0|2,0,0]=4 1956 B9R0.4 [13CH3]N(CCC#N)CC(=O)O 269956a_100011218032_200025704644 [0,2,0,0,0,0|2,0,0]=4 1957 B9R0.14 C#CCN(CC)CC(=O)O 269956a_100000746405_100000184674 [0,2,0,0,0,0|2,0,0]=4 1958 B9R0.14 C#CCN(CC)CC(=O)O 269956a_100011236498_100000210202 [0,2,0,0,0,0|2,0,0]=4 1959 B9R0.14 C#CCN(CF)CC(=O)O 269956a_100011236498_100015361967 [0,2,0,0,0,0|2,0,0]=4 1960 B9R0.14 C#CCN(CO)CC(=O)[O-] 269956a_100016989150_100000184674 [0,2,0,0,0,0|1,0,1]=4 1961 B9R0.14 C=CCN(CC)CC(=O)O 269956a_100000744315_100000210202 [0,2,0,0,0,0|2,0,0]=4 1962 B9R0.14 C=CCN(CC)CC(=O)O 269956a_100000746405_100000210623 [0,2,0,0,0,0|2,0,0]=4 1963 B9R0.14 C=CCN(CF)CC(=O)O 269956a_100000744315_100015361967 [0,2,0,0,0,0|2,0,0]=4 1964 B9R0.14 C=CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210623 [0,2,0,0,0,0|1,0,1]=4 1965 B9R0.14 C=CC[C@H](CO)NC(=O)C 240690a_100020615467_100015343762 [0,2,0,0,0,0|2,0,0]=4 1966 B9R0.14 C=CC[C@H](CO)NC(=O)C 527a_100020615467_100103153847 [0,2,0,0,0,0|2,0,0]=4 1967 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [0,2,0,0,0,0|2,0,0]=4 1968 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [0,2,0,0,0,0|2,0,0]=4 1969 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [0,2,0,0,0,0|2,0,0]=4 1970 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [0,2,0,0,0,0|2,0,0]=4 1971 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [0,2,0,0,0,0|2,0,0]=4 1972 B9R0.14 CCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210207 [0,2,0,0,0,0|1,0,1]=4 1973 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [0,2,0,0,0,0|2,0,0]=4 1974 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [0,2,0,0,0,0|2,0,0]=4 1975 B9R0.14 CCN(CC#N)CC(=O)O 269956a_100000746405_100011215382 [0,2,0,0,0,0|2,0,0]=4 1976 B9R0.14 CCN(CC=O)CC(=O)O 269956a_100000746405_200015260668 [0,2,0,0,0,0|1,0,1]=4 1977 B9R0.14 CCN(CCF)CC(=O)O 269956a_100000746405_100011217306 [0,2,0,0,0,0|2,0,0]=4 1978 B9R0.14 CCN(CCO)CC(=O)N 2230a_100000210973_100000747473 [0,2,0,0,0,0|2,0,0]=4 1979 B9R0.14 CCN(CCO)CC(=O)N 269982a_100000210973_100000187820 [0,2,0,0,0,0|2,0,0]=4 1980 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000746405_100000211926 [0,2,0,0,0,0|1,0,0]=3 1981 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000747938_100000210202 [0,2,0,0,0,0|1,0,0]=3 1982 B9R0.14 CCN(CCO)CC(=O)[O-] 269982a_100000210973_100020667443 [0,2,0,0,0,0|1,0,1]=4 1983 B9R0.14 CCN(COC)CC(=O)O 269956a_100000746405_100000766300 [0,2,0,0,0,0|1,0,0]=3 1984 B9R0.14 CCN(CSC)CC(=O)O 269956a_100000746405_100011218213 [0,2,0,0,0,0|1,1,0]=4 1985 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [0,2,0,0,0,0|1,0,0]=3 1986 B9R0.14 CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210202 [0,2,0,0,0,0|0,0,0]=2 1987 B9R0.14 CC[C@H](CC(=O)O)NCF 269956a_100016995926_100015361967 [0,2,0,0,0,0|1,0,0]=3 1988 B9R0.14 COCC(CO)NC(=O)C 240690a_100000724102_100015343762 [0,2,0,0,0,0|2,0,0]=4 1989 B9R0.14 COCC(CO)NC(=O)C 527a_100000724102_100103153847 [0,2,0,0,0,0|2,0,0]=4 1990 B9R0.14 COCN(CO)CC(=O)[O-] 269956a_100016989150_100000766300 [0,2,0,0,0,0|1,0,1]=4 1991 B9R0.14 CSCN(CO)CC(=O)[O-] 269956a_100016989150_100011218213 [0,2,0,0,0,0|1,0,1]=4 1992 B9R0.14 N#CCN(CO)CC(=O)[O-] 269956a_100016989150_100011215382 [0,2,0,0,0,0|1,0,1]=4 1993 B9R0.14 O=C(O)CN(CF)CCO 269956a_100000747938_100015361967 [0,2,0,0,0,0|1,0,0]=3 1994 B9R0.14 O=C(O)C[C@@H](CO)NCF 269956a_100009816507_100015361967 [0,2,0,0,0,0|0,0,0]=2 1995 B9R0.14 O=C([O-])CN(CO)CCF 269956a_100016989150_100011217306 [0,2,0,0,0,0|1,0,1]=4 1996 B9R0.14 O=C([O-])CN(CO)CCO 269956a_100016989150_100000211926 [0,2,0,0,0,0|1,0,1]=4 1997 B9R0.14 O=CCN(CO)CC(=O)[O-] 269956a_100016989150_200015260668 [0,2,0,0,0,0|1,0,1]=4 1998 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [0,2,0,0,0,0|2,0,0]=4 1999 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100000708755_100000184674 [0,2,0,0,0,0|2,0,0]=4 2000 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100011220946_100000748023 [0,2,0,0,0,0|2,0,0]=4 2001 B9R0.34 C#CCC(=O)C[C@@H](C)CC 1458a_100011220946_100009816398 [0,2,0,0,0,0|2,0,0]=4 2002 B9R0.34 C#CCC(=O)C[C@@H](C)CO 1458a_100011220946_100000059175 [0,2,0,0,0,0|1,0,0]=3 2003 B9R0.34 C#CCC(=O)N[C@H](C)CO 527a_100000737577_100011220946 [0,2,0,0,0,0|2,0,0]=4 2004 B9R0.34 C#CCN(C)CC(=O)OC 2230a_100000198492_100000038162 [0,2,0,0,0,0|2,0,0]=4 2005 B9R0.34 C#CCN(C)CC(=O)OC 2230a_100000225692_100000747449 [0,2,0,0,0,0|2,0,0]=4 2006 B9R0.34 C#CCN(C)CC(=O)OC 34a_100000225692_100000747449 [0,2,0,0,0,0|2,0,0]=4 2007 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [0,2,0,0,0,0|2,0,0]=4 2008 B9R0.34 C=CC(=O)N[C@H](C)CCO 240690a_100000706166_200121576911 [0,2,0,0,0,0|2,0,0]=4 2009 B9R0.34 C=CC(=O)N[C@H](C)COC 1626a_100000764878_100000185746 [0,2,0,0,0,0|2,0,0]=4 2010 B9R0.34 C=CC(=O)N[C@H](C)COC 240690a_100000764878_200121576911 [0,2,0,0,0,0|2,0,0]=4 2011 B9R0.34 C=CC(C)CC(=O)CCO 1458a_100011934298_100000211926 [0,2,0,0,0,0|1,0,1]=4 2012 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000210193_100000748023 [0,2,0,0,0,0|2,0,0]=4 2013 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000708755_100000210623 [0,2,0,0,0,0|2,0,0]=4 2014 B9R0.34 C=CCC(=O)C[C@@H](C)CC 1458a_100000210193_100009816398 [0,2,0,0,0,0|2,0,0]=4 2015 B9R0.34 C=CCC(=O)C[C@@H](C)CO 1458a_100000210193_100000059175 [0,2,0,0,0,0|1,0,0]=3 2016 B9R0.34 C=CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210193 [0,2,0,0,0,0|2,0,0]=4 2017 B9R0.34 C=CCC(=O)N[C@H](C)CO 527a_100000737577_100000210193 [0,2,0,0,0,0|2,0,0]=4 2018 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000198492_100000210623 [0,2,0,0,0,0|2,0,0]=4 2019 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000225617_100000747449 [0,2,0,0,0,0|2,0,0]=4 2020 B9R0.34 C=CCN(C)CC(=O)OC 269982a_100000225617_100000747449 [0,2,0,0,0,0|2,0,0]=4 2021 B9R0.34 C=COC(=O)CC(=O)CO 1458a_100000210174_100000036128 [0,2,0,0,0,0|1,0,1]=4 2022 B9R0.34 C=COC(=O)CN(C)CC 2230a_100000225621_100000036128 [0,2,0,0,0,0|2,0,0]=4 2023 B9R0.34 C=COC(=O)CN(C)CC 269982a_100000225621_100000036128 [0,2,0,0,0,0|2,0,0]=4 2024 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [0,2,0,0,0,0|2,0,0]=4 2025 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [0,2,0,0,0,0|2,0,0]=4 2026 B9R0.34 CC#CC(=O)C[C@@H](C)CO 1458a_100000763181_100000059175 [0,2,0,0,0,0|1,0,0]=3 2027 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,2,0,0,0,0|2,0,0]=4 2028 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,2,0,0,0,0|2,0,0]=4 2029 B9R0.34 CC=CC(=O)C[C@@H](C)CO 1458a_100000210699_100000059175 [0,2,0,0,0,0|1,0,0]=3 2030 B9R0.34 CC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000210699 [0,2,0,0,0,0|2,0,0]=4 2031 B9R0.34 CCC(=O)CN(C)CCO 269982a_100000210263_100000747405 [0,2,0,0,0,0|2,0,0]=4 2032 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [0,2,0,0,0,0|2,0,0]=4 2033 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [0,2,0,0,0,0|2,0,0]=4 2034 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 2035 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 2036 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 2037 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 2038 B9R0.34 CCC(C)CC(=O)C=CBr 1458a_100016273825_100000748023 [0,2,0,0,0,0|2,0,0]=4 2039 B9R0.34 CCC(C)CC(=O)C=CCl 1458a_200016279998_100000748023 [0,2,0,0,0,0|2,0,0]=4 2040 B9R0.34 CCC(C)CC(=O)C=CI 1458a_100016256311_100000748023 [0,2,0,0,0,0|2,0,0]=4 2041 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100000708755_100011214920 [0,2,0,0,0,0|2,0,0]=4 2042 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100051588842_100000748023 [0,2,0,0,0,0|2,0,0]=4 2043 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [0,2,0,0,0,0|2,0,0]=4 2044 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,2,0,0,0,0|1,0,0]=3 2045 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,2,0,0,0,0|1,0,0]=3 2046 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,2,0,0,0,0|1,0,0]=3 2047 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [0,2,0,0,0,0|1,1,0]=4 2048 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [0,2,0,0,0,0|2,0,0]=4 2049 B9R0.34 CCC(C)NC(=O)CCO 240690a_100000209981_100011216618 [0,2,0,0,0,0|2,0,0]=4 2050 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [0,2,0,0,0,0|2,0,0]=4 2051 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [0,2,0,0,0,0|2,0,0]=4 2052 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [0,2,0,0,0,0|2,0,0]=4 2053 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [0,2,0,0,0,0|2,0,0]=4 2054 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [0,2,0,0,0,0|2,0,0]=4 2055 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,2,0,0,0,0|2,0,0]=4 2056 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,2,0,0,0,0|2,0,0]=4 2057 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [0,2,0,0,0,0|2,0,0]=4 2058 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,2,0,0,0,0|2,0,0]=4 2059 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,2,0,0,0,0|2,0,0]=4 2060 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,2,0,0,0,0|2,0,0]=4 2061 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,2,0,0,0,0|1,0,0]=3 2062 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [0,2,0,0,0,0|2,0,0]=4 2063 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [0,2,0,0,0,0|2,0,0]=4 2064 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,2,0,0,0,0|2,0,0]=4 2065 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,2,0,0,0,0|2,0,0]=4 2066 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,2,0,0,0,0|2,0,0]=4 2067 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,2,0,0,0,0|1,0,0]=3 2068 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,2,0,0,0,0|2,0,0]=4 2069 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,2,0,0,0,0|2,0,0]=4 2070 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,2,0,0,0,0|2,0,0]=4 2071 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,2,0,0,0,0|2,0,0]=4 2072 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [0,2,0,0,0,0|2,0,0]=4 2073 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [0,2,0,0,0,0|2,0,0]=4 2074 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,2,0,0,0,0|2,0,0]=4 2075 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,2,0,0,0,0|2,0,0]=4 2076 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,2,0,0,0,0|2,0,0]=4 2077 B9R0.34 CCN(C)CC(=O)CCO 1458a_100116209913_100000211926 [0,2,0,0,0,0|2,0,0]=4 2078 B9R0.34 CCN(C)CC(=O)NCO 2230a_100000225621_100000185155 [0,2,0,0,0,0|2,0,0]=4 2079 B9R0.34 CCN(C)CC(=O)NCO 269982a_100000225621_100000185155 [0,2,0,0,0,0|2,0,0]=4 2080 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,2,0,0,0,0|2,0,0]=4 2081 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,2,0,0,0,0|2,0,0]=4 2082 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,2,0,0,0,0|2,0,0]=4 2083 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [0,2,0,0,0,0|2,0,0]=4 2084 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [0,2,0,0,0,0|2,0,0]=4 2085 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [0,2,0,0,0,0|2,0,0]=4 2086 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [0,2,0,0,0,0|2,0,0]=4 2087 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,2,0,0,0,0|1,0,0]=3 2088 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,2,0,0,0,0|1,0,1]=4 2089 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,2,0,0,0,0|2,0,0]=4 2090 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,2,0,0,0,0|2,0,0]=4 2091 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,2,0,0,0,0|2,0,0]=4 2092 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,2,0,0,0,0|2,0,0]=4 2093 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,2,0,0,0,0|2,0,0]=4 2094 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,2,0,0,0,0|2,0,0]=4 2095 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,2,0,0,0,0|2,0,0]=4 2096 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,2,0,0,0,0|2,0,0]=4 2097 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,2,0,0,0,0|2,0,0]=4 2098 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,2,0,0,0,0|2,0,0]=4 2099 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,2,0,0,0,0|2,0,0]=4 2100 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,2,0,0,0,0|2,0,0]=4 2101 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,2,0,0,0,0|2,0,0]=4 2102 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,2,0,0,0,0|2,0,0]=4 2103 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,2,0,0,0,0|2,0,0]=4 2104 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,2,0,0,0,0|1,0,0]=3 2105 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,2,0,0,0,0|2,0,0]=4 2106 B9R0.34 CCSC(C)CC(=O)CF 1458a_200011311441_100015361967 [0,2,0,0,0,0|2,0,0]=4 2107 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [0,2,0,0,0,0|2,0,0]=4 2108 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [0,2,0,0,0,0|2,0,0]=4 2109 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [0,2,0,0,0,0|2,0,0]=4 2110 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [0,2,0,0,0,0|2,0,0]=4 2111 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,2,0,0,0,0|1,0,0]=3 2112 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,2,0,0,0,0|1,0,0]=3 2113 B9R0.34 CC[C@H](C)CC(=O)C=CBr 1458a_100016273825_100009816398 [0,2,0,0,0,0|2,0,0]=4 2114 B9R0.34 CC[C@H](C)CC(=O)C=CCl 1458a_200016279998_100009816398 [0,2,0,0,0,0|2,0,0]=4 2115 B9R0.34 CC[C@H](C)CC(=O)C=CI 1458a_100016256311_100009816398 [0,2,0,0,0,0|2,0,0]=4 2116 B9R0.34 CC[C@H](C)CC(=O)CC#N 1458a_100051588842_100009816398 [0,2,0,0,0,0|2,0,0]=4 2117 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,2,0,0,0,0|1,0,0]=3 2118 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,2,0,0,0,0|1,0,0]=3 2119 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [0,2,0,0,0,0|1,1,0]=4 2120 B9R0.34 CNC(=O)CN(C)CCO 2230a_100000189611_100000211926 [0,2,0,0,0,0|2,0,0]=4 2121 B9R0.34 CNC(=O)CN(C)CCO 2230a_100000210263_100000183359 [0,2,0,0,0,0|2,0,0]=4 2122 B9R0.34 CNC(=O)CN(C)CCO 269982a_100000210263_100000183359 [0,2,0,0,0,0|2,0,0]=4 2123 B9R0.34 CNC(=O)CN(C)COC 2230a_100000189611_100000766300 [0,2,0,0,0,0|2,0,0]=4 2124 B9R0.34 CNC(=O)N[C@H](C)CCO 2708a_100102657272_100000706166 [0,2,0,0,0,0|2,0,0]=4 2125 B9R0.34 CNC(=O)N[C@H](C)CCO 273464a_100000706166_100102657272 [0,2,0,0,0,0|2,0,0]=4 2126 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_100000706166_100102657272 [0,2,0,0,0,0|2,0,0]=4 2127 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_106832991638_100000706166 [0,2,0,0,0,0|2,0,0]=4 2128 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100000764878_106832991635 [0,2,0,0,0,0|2,0,0]=4 2129 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100102657272_100000764878 [0,2,0,0,0,0|2,0,0]=4 2130 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100000764878_100102657272 [0,2,0,0,0,0|2,0,0]=4 2131 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100102657272_100000764878 [0,2,0,0,0,0|2,0,0]=4 2132 B9R0.34 CNC(=O)N[C@H](C)COC 512a_100000764878_100102657272 [0,2,0,0,0,0|2,0,0]=4 2133 B9R0.34 CNC(=O)N[C@H](C)COC 512a_106832991638_100000764878 [0,2,0,0,0,0|2,0,0]=4 2134 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [0,2,0,0,0,0|2,0,0]=4 2135 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [0,2,0,0,0,0|2,0,0]=4 2136 B9R0.34 CNNC(=O)N[C@H](C)CO 273464a_100000737577_100016993582 [0,2,0,0,0,0|2,0,0]=4 2137 B9R0.34 CNNC(=O)N[C@H](C)CO 512a_100000737577_100016993582 [0,2,0,0,0,0|2,0,0]=4 2138 B9R0.34 CNNC(=O)N[C@H](C)CO 512a_100016993582_100000737577 [0,2,0,0,0,0|2,0,0]=4 2139 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [0,2,0,0,0,0|1,0,1]=4 2140 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [0,2,0,0,0,0|1,0,1]=4 2141 B9R0.34 COC(=O)CC(C)SCF 62a_100009817358_100015361967 [0,2,0,0,0,0|1,0,0]=3 2142 B9R0.34 COC(=O)CC(C)SCF 62a_100015361967_100009817358 [0,2,0,0,0,0|1,0,0]=3 2143 B9R0.34 COC(=O)CN(C)CC#N 2230a_100000198492_100011215382 [0,2,0,0,0,0|2,0,0]=4 2144 B9R0.34 COC(=O)CN(C)CC#N 2230a_100000748184_100000747449 [0,2,0,0,0,0|2,0,0]=4 2145 B9R0.34 COC(=O)CN(C)CC=O 2230a_100000198492_200015260668 [0,2,0,0,0,0|1,0,1]=4 2146 B9R0.34 COC(=O)CN(C)CCF 2230a_100000198492_100011217306 [0,2,0,0,0,0|2,0,0]=4 2147 B9R0.34 COC(=O)CN(C)CCO 2230a_100000198492_100000211926 [0,2,0,0,0,0|1,0,0]=3 2148 B9R0.34 COC(=O)CN(C)CCO 2230a_100000210263_100000747449 [0,2,0,0,0,0|1,0,0]=3 2149 B9R0.34 COC(=O)CN(C)CCO 269982a_100000210263_100000747449 [0,2,0,0,0,0|1,0,0]=3 2150 B9R0.34 COC(=O)CN(C)CSC 2230a_100000198492_100011218213 [0,2,0,0,0,0|1,1,0]=4 2151 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [0,2,0,0,0,0|1,1,0]=4 2152 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [0,2,0,0,0,0|1,1,0]=4 2153 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [0,2,0,0,0,0|1,1,0]=4 2154 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [0,2,0,0,0,0|1,1,0]=4 2155 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [0,2,0,0,0,0|1,0,1]=4 2156 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,2,0,0,0,0|0,0,0]=2 2157 B9R0.34 COCC(=O)N[C@H](C)CF 11a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 2158 B9R0.34 COCC(=O)N[C@H](C)CF 1626a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 2159 B9R0.34 COCC(=O)N[C@H](C)CF 240690a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 2160 B9R0.34 COCC(=O)N[C@H](C)CF 527a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 2161 B9R0.34 COCC(=O)N[C@H](C)CO 240690a_100000737577_100000210968 [0,2,0,0,0,0|1,0,0]=3 2162 B9R0.34 COCC(=O)N[C@H](C)CO 527a_100000737577_100000210968 [0,2,0,0,0,0|1,0,0]=3 2163 B9R0.34 COCN(C)CC(=O)OC 2230a_100000198492_100000766300 [0,2,0,0,0,0|1,0,0]=3 2164 B9R0.34 COC[C@@H](C)NC(=O)CO 240690a_100000764878_100000210174 [0,2,0,0,0,0|1,0,0]=3 2165 B9R0.34 COC[C@@H](C)NC(=O)CO 527a_100000764878_100000210174 [0,2,0,0,0,0|1,0,0]=3 2166 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,2,0,0,0,0|1,0,0]=3 2167 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [0,2,0,0,0,0|0,1,0]=3 2168 B9R0.34 CSCC(=O)N[C@H](C)CO 240690a_100000737577_100000184570 [0,2,0,0,0,0|1,1,0]=4 2169 B9R0.34 CSCC(=O)N[C@H](C)CO 527a_100000737577_100000184570 [0,2,0,0,0,0|1,1,0]=4 2170 B9R0.34 C[C@@H](CC#N)NC(=O)CO 240690a_100016994482_100000210174 [0,2,0,0,0,0|2,0,0]=4 2171 B9R0.34 C[C@@H](CC#N)NC(=O)CO 527a_100016994482_100000210174 [0,2,0,0,0,0|2,0,0]=4 2172 B9R0.34 C[C@@H](CO)CC(=O)C=CBr 1458a_100016273825_100000059175 [0,2,0,0,0,0|1,0,0]=3 2173 B9R0.34 C[C@@H](CO)CC(=O)C=CCl 1458a_200016279998_100000059175 [0,2,0,0,0,0|1,0,0]=3 2174 B9R0.34 C[C@@H](CO)CC(=O)C=CI 1458a_100016256311_100000059175 [0,2,0,0,0,0|1,0,0]=3 2175 B9R0.34 C[C@@H](CO)CC(=O)CC#N 1458a_100051588842_100000059175 [0,2,0,0,0,0|1,0,0]=3 2176 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,2,0,0,0,0|0,0,0]=2 2177 B9R0.34 C[C@@H](CO)CN(C)CCO 2230a_100000210263_100000059175 [0,2,0,0,0,0|2,0,0]=4 2178 B9R0.34 C[C@@H](CO)CN(C)CCO 269982a_100000210263_100000059175 [0,2,0,0,0,0|2,0,0]=4 2179 B9R0.34 C[C@H](CCO)NC(=O)CO 240690a_100000706166_100000210174 [0,2,0,0,0,0|1,0,0]=3 2180 B9R0.34 C[C@H](CCO)NC(=O)CO 527a_100000706166_100000210174 [0,2,0,0,0,0|1,0,0]=3 2181 B9R0.34 C[C@H](CF)NC(=O)CCO 240690a_100102880703_100011216618 [0,2,0,0,0,0|2,0,0]=4 2182 B9R0.34 C[C@H](CO)NC(=O)C=CBr 240690a_100000737577_100016273825 [0,2,0,0,0,0|2,0,0]=4 2183 B9R0.34 C[C@H](CO)NC(=O)C=CCl 240690a_100000737577_200016279998 [0,2,0,0,0,0|2,0,0]=4 2184 B9R0.34 C[C@H](CO)NC(=O)CC#N 240690a_100000737577_100051588842 [0,2,0,0,0,0|2,0,0]=4 2185 B9R0.34 C[C@H](CO)NC(=O)CCO 240690a_100000737577_100011216618 [0,2,0,0,0,0|1,0,0]=3 2186 B9R0.34 O=C(CO)CC(=O)NCO 1458a_100000210174_100000185155 [0,2,0,0,0,0|1,0,1]=4 2187 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [0,2,0,0,0,0|2,0,0]=4 2188 B9R0.53 C=C(F)CN(C)CC(=O)O 269956a_100000746989_100000042424 [0,2,0,0,0,0|2,0,0]=4 2189 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,2,0,0,0,0|2,0,0]=4 2190 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000227577_100000747473 [0,2,0,0,0,0|2,0,0]=4 2191 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000739694_100011218427 [0,2,0,0,0,0|2,0,0]=4 2192 B9R0.53 CC(O)CN(C)CC(=O)N 269982a_100000227577_100000187820 [0,2,0,0,0,0|2,0,0]=4 2193 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,2,0,0,0,0|1,0,0]=3 2194 B9R0.53 CC(O)CN(C)CC(=O)[O-] 269982a_100000227577_100020667443 [0,2,0,0,0,0|1,0,1]=4 2195 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [0,2,0,0,0,0|1,0,1]=4 2196 B9R0.53 CN(CC(=O)O)CC(F)F 269956a_100000746989_100011934356 [0,2,0,0,0,0|2,0,0]=4 2197 B9R0.53 CN(CC(=O)O)C[N+](=O)[O-] 269956a_100000746989_100000761209 [0,2,0,0,0,0|1,0,1]=4 2198 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [0,2,0,0,0,0|1,0,1]=4 2199 B9R0.53 C[C@@H](O)CN(C)CC(=O)N 2230a_100000739694_100009817552 [0,2,0,0,0,0|2,0,0]=4 2200 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,2,0,0,0,0|1,0,0]=3 2201 B9R0.58 CC(=O)CC(C)(C)OCF 7a_100000210262_100015361967 [0,2,0,0,0,0|2,0,0]=4 2202 B9R0.58 CC(=O)NC(C)(C)CCO 240690a_100000763138_100015343762 [0,2,0,0,0,0|2,0,0]=4 2203 B9R0.58 CC(=O)NC(C)(C)CCO 527a_100000763138_100103153847 [0,2,0,0,0,0|2,0,0]=4 2204 B9R0.58 CC(C)(CC(=O)O)NCF 269956a_100000755897_100015361967 [0,2,0,0,0,0|1,0,0]=3 2205 B9R0.58 CCCC(C)(O)CC(=O)C 1458a_100011667670_200000210301 [0,2,0,0,0,0|2,0,0]=4 2206 B9R0.58 CCCC(C)(O)CC(=O)[13CH3] 1458a_100011667670_200025704644 [0,2,0,0,0,0|2,0,0]=4 2207 B9R0.58 CCNC(C)(C)CC(=O)N 2230a_100000763158_100000210202 [0,2,0,0,0,0|2,0,0]=4 2208 B9R0.58 CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210202 [0,2,0,0,0,0|1,0,0]=3 2209 B9R0.58 CCOC(C)(C)CC(=O)C 7a_100000210262_100000210202 [0,2,0,0,0,0|2,0,0]=4 2210 B9R0.58 COCC(C)(C)NC(=O)C 11a_100000752728_100015343762 [0,2,0,0,0,0|2,0,0]=4 2211 B9R0.58 COCC(C)(C)NC(=O)C 1626a_100000752728_100015343762 [0,2,0,0,0,0|2,0,0]=4 2212 B9R0.58 COCC(C)(C)NC(=O)C 240690a_100000752728_100015343762 [0,2,0,0,0,0|2,0,0]=4 2213 B9R0.58 COCC(C)(C)NC(=O)C 527a_100000752728_100103153847 [0,2,0,0,0,0|2,0,0]=4 2214 B9R0.26 C#CC(=O)CC(CC)CC 1458a_100000211873_100011215472 [0,2,0,0,0,0|2,0,0]=4 2215 B9R0.26 C=CC(=O)CC(CC)CC 1458a_100000185746_100011215472 [0,2,0,0,0,0|2,0,0]=4 2216 B9R0.26 C=CC(=O)NC(CO)CO 240690a_100000759517_200121576911 [0,2,0,0,0,0|2,0,0]=4 2217 B9R0.26 C=CC(=O)N[C@@H](CC)CO 240690a_100000709445_200121576911 [0,2,0,0,0,0|2,0,0]=4 2218 B9R0.26 C=C[C@@H](CO)NC(=O)CO 240690a_100016989147_100000210174 [0,2,0,0,0,0|1,0,1]=4 2219 B9R0.26 C=C[C@@H](CO)NC(=O)CO 527a_100016989147_100000210174 [0,2,0,0,0,0|1,0,1]=4 2220 B9R0.26 CCC(=O)CC(CC)CC 1458a_100000210414_100011215472 [0,2,0,0,0,0|2,0,0]=4 2221 B9R0.26 CCC(=O)NC(CO)CO 240690a_100000759517_100000210414 [0,2,0,0,0,0|2,0,0]=4 2222 B9R0.26 CCC(=O)NC(CO)CO 527a_100000759517_100000210414 [0,2,0,0,0,0|2,0,0]=4 2223 B9R0.26 CCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000210414 [0,2,0,0,0,0|2,0,0]=4 2224 B9R0.26 CCC(=O)N[C@@H](CC)CO 527a_100000709445_100000210414 [0,2,0,0,0,0|2,0,0]=4 2225 B9R0.26 CCC(CC)CC(=O)CO 1458a_100000210174_100011215472 [0,2,0,0,0,0|1,0,0]=3 2226 B9R0.26 CCC(CC)NC(=O)CO 240690a_100000199018_100000210174 [0,2,0,0,0,0|2,0,0]=4 2227 B9R0.26 CCC(CC)NC(=O)CO 527a_100000199018_100000210174 [0,2,0,0,0,0|2,0,0]=4 2228 B9R0.26 CCN(CC)CC(=O)OC 2230a_100000724800_100000747449 [0,2,0,0,0,0|2,0,0]=4 2229 B9R0.26 CCN(CC)CC(=O)OC 269956a_100000042499_100000747449 [0,2,0,0,0,0|2,0,0]=4 2230 B9R0.26 CCN(CC)CC(=O)OC 269982a_100000724800_100000747449 [0,2,0,0,0,0|2,0,0]=4 2231 B9R0.26 CC[C@@H](CC(=O)OC)OC 7a_200015357724_200000210301 [0,2,0,0,0,0|1,0,0]=3 2232 B9R0.26 CC[C@@H](CC(=O)OC)O[13CH3] 7a_200015357724_200025704644 [0,2,0,0,0,0|1,0,0]=3 2233 B9R0.26 CC[C@@H](CO)NC(=O)CO 240690a_100000709445_100000210174 [0,2,0,0,0,0|1,0,0]=3 2234 B9R0.26 CC[C@@H](CO)NC(=O)CO 527a_100000709445_100000210174 [0,2,0,0,0,0|1,0,0]=3 2235 B9R0.26 CC[C@@H](CO)NC(=O)NC 2708a_100102657272_100000709445 [0,2,0,0,0,0|2,0,0]=4 2236 B9R0.26 CC[C@@H](CO)NC(=O)NC 273464a_100000709445_100102657272 [0,2,0,0,0,0|2,0,0]=4 2237 B9R0.26 CC[C@@H](CO)NC(=O)NC 273464a_100102657272_100000709445 [0,2,0,0,0,0|2,0,0]=4 2238 B9R0.26 CC[C@@H](CO)NC(=O)NC 512a_100000709445_100102657272 [0,2,0,0,0,0|2,0,0]=4 2239 B9R0.26 CC[C@@H](CO)NC(=O)NC 512a_106832991638_100000709445 [0,2,0,0,0,0|2,0,0]=4 2240 B9R0.26 CNC(=O)NC(CO)CO 2708a_100102657272_100000759517 [0,2,0,0,0,0|2,0,0]=4 2241 B9R0.26 CNC(=O)NC(CO)CO 273464a_100000759517_100102657272 [0,2,0,0,0,0|2,0,0]=4 2242 B9R0.26 CNC(=O)NC(CO)CO 273464a_100102657272_100000759517 [0,2,0,0,0,0|2,0,0]=4 2243 B9R0.26 CNC(=O)NC(CO)CO 512a_106832991638_100000759517 [0,2,0,0,0,0|2,0,0]=4 2244 B9R0.26 COC(=O)C[C@H](CCl)OC 7a_100000754131_200000210301 [0,2,0,0,0,0|1,0,0]=3 2245 B9R0.26 COC(=O)C[C@H](CCl)O[13CH3] 7a_100000754131_200025704644 [0,2,0,0,0,0|1,0,0]=3 2246 B9R0.26 COC(CC(=O)CO)OC 1458a_100000210174_100000751394 [0,2,0,0,0,0|2,0,0]=4 2247 B9R0.26 O=C(CO)NC(CO)CO 240690a_100000759517_100000210174 [0,2,0,0,0,0|1,0,0]=3 2248 B9R0.26 O=C(CO)NC(CO)CO 527a_100000759517_100000210174 [0,2,0,0,0,0|1,0,0]=3 2249 B9R0.39 CC(=O)NC(CO)C(=O)C 1458a_200011194110_200000210301 [0,2,0,0,0,0|2,0,0]=4 2250 B9R0.39 CC(=O)NC(CO)C(=O)[13CH3] 1458a_200011194110_200025704644 [0,2,0,0,0,0|2,0,0]=4 2251 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 240690a_100011830312_100015343762 [0,2,0,0,0,0|2,0,0]=4 2252 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 527a_100011830312_100103153847 [0,2,0,0,0,0|2,0,0]=4 2253 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100015343762 [0,2,0,0,0,0|2,0,0]=4 2254 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O 527a_100015196842_100103153847 [0,2,0,0,0,0|2,0,0]=4 2255 B9R0.39 CC(C)C(CC(=O)O)N[13CH3] 269956a_100000695669_200025704644 [0,2,0,0,0,0|1,0,0]=3 2256 B9R0.39 CC(C)N(CO)CC(=O)[O-] 269956a_100016989150_100000210206 [0,2,0,0,0,0|1,0,1]=4 2257 B9R0.39 CCN(CC(=O)O)C(C)C 269956a_100000746405_100000210206 [0,2,0,0,0,0|2,0,0]=4 2258 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 11a_100161114882_100015343762 [0,2,0,0,0,0|2,0,0]=4 2259 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 1626a_100161114882_100015343762 [0,2,0,0,0,0|2,0,0]=4 2260 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 240690a_100161114882_100015343762 [0,2,0,0,0,0|2,0,0]=4 2261 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 527a_100161114882_100103153847 [0,2,0,0,0,0|2,0,0]=4 2262 B9R0.39 CNC(CC(=O)O)C(C)C 269956a_100000695669_200000210301 [0,2,0,0,0,0|1,0,0]=3 2263 B9R0.63 CC(=O)NC(C)(CO)CO 240690a_100000764395_100015343762 [0,2,0,0,0,0|2,0,0]=4 2264 B9R0.63 CC(=O)NC(C)(CO)CO 527a_100000764395_100103153847 [0,2,0,0,0,0|2,0,0]=4 2265 B9R0.63 CCC(C)(CO)NC(=O)C 240690a_100000747662_100015343762 [0,2,0,0,0,0|2,0,0]=4 2266 B9R0.63 CCC(C)(CO)NC(=O)C 527a_100000747662_100103153847 [0,2,0,0,0,0|2,0,0]=4 2267 B9R0.22 C=CC(=O)NC(C)(C)CO 240690a_100000210608_200121576911 [0,2,0,0,0,0|2,0,0]=4 2268 B9R0.22 CC(C)(CO)NC(=O)CO 240690a_100000210608_100000210174 [0,2,0,0,0,0|1,0,0]=3 2269 B9R0.22 CC(C)(CO)NC(=O)CO 527a_100020618417_100000210174 [0,2,0,0,0,0|1,0,0]=3 2270 B9R0.22 CCC(=O)CC(C)(C)CC 1458a_200000763500_100000210202 [0,2,0,0,0,0|2,0,0]=4 2271 B9R0.22 CCC(=O)CC(C)(O)CC 1458a_200011219800_100000210202 [0,2,0,0,0,0|2,0,0]=4 2272 B9R0.22 CCC(=O)NC(C)(C)CO 240690a_100000210608_100000210414 [0,2,0,0,0,0|2,0,0]=4 2273 B9R0.22 CCC(=O)NC(C)(C)CO 527a_100020618417_100000210414 [0,2,0,0,0,0|2,0,0]=4 2274 B9R0.22 CCC(C)(C)CC(=O)CF 1458a_200000763500_100015361967 [0,2,0,0,0,0|2,0,0]=4 2275 B9R0.22 CCC(C)(C)CC(=O)NC 11a_106832991635_200000763500 [0,2,0,0,0,0|2,0,0]=4 2276 B9R0.22 CCC(C)(C)CC(=O)NC 1626a_100102657272_200000763500 [0,2,0,0,0,0|2,0,0]=4 2277 B9R0.22 CCC(C)(C)CC(=O)NC 240690a_100102657272_200000763500 [0,2,0,0,0,0|2,0,0]=4 2278 B9R0.22 CCC(C)(C)CC(=O)NC 527a_100102657272_200000763500 [0,2,0,0,0,0|2,0,0]=4 2279 B9R0.22 CCC(C)(C)NC(=O)CO 240690a_100000211385_100000210174 [0,2,0,0,0,0|2,0,0]=4 2280 B9R0.22 CCC(C)(C)NC(=O)CO 527a_100000211385_100000210174 [0,2,0,0,0,0|2,0,0]=4 2281 B9R0.22 CCC(C)(O)CC(=O)CF 1458a_200011219800_100015361967 [0,2,0,0,0,0|2,0,0]=4 2282 B9R0.22 CCC(C)(O)CC(=O)NC 240690a_100102657272_200011219800 [0,2,0,0,0,0|2,0,0]=4 2283 B9R0.22 CCC(C)(O)CC(=O)NC 527a_100102657272_200011219800 [0,2,0,0,0,0|2,0,0]=4 2284 B9R0.22 CNC(=O)NC(C)(C)CO 2708a_100102657272_100000210608 [0,2,0,0,0,0|2,0,0]=4 2285 B9R0.22 CNC(=O)NC(C)(C)CO 273464a_100000210608_100102657272 [0,2,0,0,0,0|2,0,0]=4 2286 B9R0.22 CNC(=O)NC(C)(C)CO 273464a_100102657272_100000210608 [0,2,0,0,0,0|2,0,0]=4 2287 B9R0.22 CNC(=O)NC(C)(C)CO 512a_100000210608_100102657272 [0,2,0,0,0,0|2,0,0]=4 2288 B9R0.22 COC(=O)CC(C)(C)OC 7a_100015205050_200000210301 [0,2,0,0,0,0|2,0,0]=4 2289 B9R0.22 COC(=O)CC(C)(C)O[13CH3] 7a_100015205050_200025704644 [0,2,0,0,0,0|2,0,0]=4 2290 B9R0.10 CC(=O)CC(C)C(F)(F)F 1458a_100000031924_200000210301 [0,2,0,0,0,0|2,0,0]=4 2291 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100015343762 [0,2,0,0,0,0|2,0,0]=4 2292 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100015343762 [0,2,0,0,0,0|2,0,0]=4 2293 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100015343762 [0,2,0,0,0,0|2,0,0]=4 2294 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100103153847 [0,2,0,0,0,0|2,0,0]=4 2295 B9R0.10 CC(C)(C)N([13CH3])CC(=O)O 269956a_100000745166_200025704644 [0,2,0,0,0,0|2,0,0]=4 2296 B9R0.10 CC(CC(=O)[13CH3])C(F)(F)F 1458a_100000031924_200025704644 [0,2,0,0,0,0|2,0,0]=4 2297 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000745166_200000210301 [0,2,0,0,0,0|2,0,0]=4 2298 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000746989_100000211941 [0,2,0,0,0,0|2,0,0]=4 2299 B9R0.10 CN(CC(=O)O)C(F)(F)F 269956a_100000746989_200000243211 [0,2,0,0,0,0|2,0,0]=4 2300 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|2,0,0]=4 2301 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|2,0,0]=4 2302 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [1,0,0,1,0,0|2,0,0]=4 2303 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [1,0,0,1,0,0|2,0,0]=4 2304 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [1,0,0,1,0,0|2,0,0]=4 2305 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [1,0,0,1,0,0|2,0,0]=4 2306 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [1,0,0,1,0,0|2,0,0]=4 2307 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [1,0,0,1,0,0|2,0,0]=4 2308 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [1,0,0,1,0,0|2,0,0]=4 2309 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [1,0,0,1,0,0|2,0,0]=4 2310 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [1,0,0,1,0,0|2,0,0]=4 2311 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [1,0,0,1,0,0|2,0,0]=4 2312 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [1,0,0,1,0,0|2,0,0]=4 2313 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [1,0,0,1,0,0|2,0,0]=4 2314 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [1,0,0,1,0,0|2,0,0]=4 2315 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [1,0,0,1,0,0|2,0,0]=4 2316 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [1,0,0,1,0,0|2,0,0]=4 2317 B7R1.10 CN1CC(C1)CO 269982a_100016987283_200000210301 [1,0,0,1,0,0|2,0,0]=4 2318 B7R1.10 CN1CC(C1)CO 34a_100016987283_200000210301 [1,0,0,1,0,0|2,0,0]=4 2319 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [1,0,0,1,0,0|2,0,0]=4 2320 B7R1.10 [13CH3]N1CC(C1)CO 269982a_100016987283_200025704644 [1,0,0,1,0,0|2,0,0]=4 2321 B7R1.10 [13CH3]N1CC(C1)CO 34a_100016987283_200025704644 [1,0,0,1,0,0|2,0,0]=4 2322 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [1,0,0,1,0,0|2,0,0]=4 2323 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [1,0,0,1,0,0|2,0,0]=4 2324 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [1,0,0,1,0,0|2,0,0]=4 2325 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [1,0,0,1,0,0|2,0,0]=4 2326 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [1,0,0,1,0,0|2,0,0]=4 2327 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [1,0,0,1,0,0|2,0,0]=4 2328 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [1,0,0,1,0,0|2,0,0]=4 2329 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|1,0,0]=3 2330 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,0,0,1,0,0|2,0,0]=4 2331 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|1,0,0]=3 2332 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,0,0,1,0,0|2,0,0]=4 2333 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|1,0,0]=3 2334 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|1,0,0]=3 2335 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|1,0,0]=3 2336 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|1,1,0]=4 2337 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|1,0,0]=3 2338 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 2339 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 2340 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|2,0,0]=4 2341 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|1,0,0]=3 2342 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|2,0,0]=4 2343 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|2,0,0]=4 2344 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|1,0,0]=3 2345 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|2,0,0]=4 2346 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|1,0,0]=3 2347 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,0,0,1,1,0|2,0,0]=4 2348 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,0,0,1,1,0|2,0,0]=4 2349 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,0,0,1,0,1|2,0,0]=4 2350 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,0,0,1,0,1|2,0,0]=4 2351 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,0,0,1,0,1|2,0,0]=4 2352 B9R1.46 NC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747473 [0,0,0,1,0,1|2,0,0]=4 2353 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747473 [0,0,0,1,0,1|2,0,0]=4 2354 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000187820 [0,0,0,1,0,1|2,0,0]=4 2355 B9R1.46 O=C([O-])CN[C@@H]1C[C@H]1F 34a_100025746932_100020667443 [0,0,0,1,0,1|1,0,1]=4 2356 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [0,0,0,1,0,1|2,0,0]=4 2357 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [0,0,0,1,0,1|2,0,0]=4 2358 B9R1.67 CC1CCN1CC(=O)[O-] 269982a_100000755817_100020667443 [0,0,0,1,0,1|1,0,1]=4 2359 B9R1.67 CC1CCN1CC(=O)[O-] 34a_100000755817_100020667443 [0,0,0,1,0,1|1,0,1]=4 2360 B9R1.80 CC(CO)OC[C@@H]1CO1 34a_100000757423_100012180447 [0,0,0,1,0,1|1,0,1]=4 2361 B9R1.80 CC(CO)SCC1CO1 62a_100012180447_102125554688 [0,0,0,1,0,1|1,0,1]=4 2362 B9R1.80 CC(CO)SC[C@@H]1CO1 62a_100012180447_100000745022 [0,0,0,1,0,1|1,0,1]=4 2363 B9R1.80 C[C@H](CO)NCC1CO1 2230a_100000737577_100011216344 [0,0,0,1,0,1|1,0,1]=4 2364 B9R1.80 C[C@H](CO)SCC1CO1 62a_100016084084_102125554688 [0,0,0,1,0,1|1,0,1]=4 2365 B9R1.80 C[C@H](CO)SCC1CO1 62a_102125554688_100016084084 [0,0,0,1,0,1|1,0,1]=4 2366 B9R1.80 C[C@H](CO)SC[C@@H]1CO1 62a_100000745022_100016084084 [0,0,0,1,0,1|1,0,1]=4 2367 B9R1.80 C[C@H](CO)SC[C@@H]1CO1 62a_100016084084_100000745022 [0,0,0,1,0,1|1,0,1]=4 2368 B9R1.82 C[C@H](CO)N1CC(C1)O 269982a_100000749847_100016084084 [0,0,0,1,0,1|1,0,1]=4 2369 B9R1.84 C=C(C)CNC1COC1 2230a_100016991112_100000748629 [0,0,0,1,0,1|2,0,0]=4 2370 B9R1.84 C=C(C)COC1COC1 34a_100000210245_100009818527 [0,0,0,1,0,1|2,0,0]=4 2371 B9R1.84 C=C(C)CSC1COC1 62a_100000748629_100009818527 [0,0,0,1,0,1|2,0,0]=4 2372 B9R1.84 C=C(F)CNC1COC1 2230a_100016991112_100009893438 [0,0,0,1,0,1|2,0,0]=4 2373 B9R1.84 C=C(F)COC1COC1 34a_200010262243_100009818527 [0,0,0,1,0,1|2,0,0]=4 2374 B9R1.84 C=C(F)CSC1COC1 62a_100000042424_100009818527 [0,0,0,1,0,1|2,0,0]=4 2375 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,0,0,1,0,1|2,0,0]=4 2376 B9R1.84 CC(=O)COC1COC1 34a_100000211253_100009818527 [0,0,0,1,0,1|1,0,0]=3 2377 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,0,0,1,0,1|2,0,0]=4 2378 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,0,0,1,0,1|2,0,0]=4 2379 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,0,0,1,0,1|2,0,0]=4 2380 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,0,0,1,0,1|2,0,0]=4 2381 B9R1.84 CC(=O)NCC1COC1 11a_100015281925_100015343762 [0,0,0,1,0,1|1,0,0]=3 2382 B9R1.84 CC(=O)NCC1COC1 1626a_100015281925_100015343762 [0,0,0,1,0,1|1,0,0]=3 2383 B9R1.84 CC(=O)NCC1COC1 240690a_100015281925_100015343762 [0,0,0,1,0,1|1,0,0]=3 2384 B9R1.84 CC(=O)NCC1COC1 527a_100015281925_100103153847 [0,0,0,1,0,1|1,0,0]=3 2385 B9R1.84 CC(=O)NNC1COC1 22a_100015188821_100000070787 [0,0,0,1,0,1|2,0,0]=4 2386 B9R1.84 CC(O)CNC1COC1 2230a_100016991112_100011218427 [0,0,0,1,0,1|1,0,1]=4 2387 B9R1.84 CC(O)CNC1COC1 34a_100000210904_100009818527 [0,0,0,1,0,1|1,0,1]=4 2388 B9R1.84 CC(O)CSC1COC1 62a_100011218427_100009818527 [0,0,0,1,0,1|1,0,1]=4 2389 B9R1.84 C[C@@H](O)CNC1COC1 2230a_100016991112_100009817552 [0,0,0,1,0,1|1,0,1]=4 2390 B9R1.84 C[C@@H](O)CSC1COC1 62a_100009817552_100009818527 [0,0,0,1,0,1|1,0,1]=4 2391 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [0,0,0,1,0,1|2,0,0]=4 2392 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [0,0,0,1,0,1|2,0,0]=4 2393 B9R1.84 NC(=O)CNC1COC1 2230a_100016991112_100000747473 [0,0,0,1,0,1|1,0,0]=3 2394 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [0,0,0,1,0,1|2,0,0]=4 2395 B9R1.84 NC(=O)COC1CSC1 7a_100000072292_100000187820 [0,0,0,1,0,1|1,1,0]=4 2396 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [0,0,0,1,0,1|2,0,0]=4 2397 B9R1.84 NC(=O)CSC1COC1 62a_100000747473_100009818527 [0,0,0,1,0,1|1,0,0]=3 2398 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,0,0,1,0,1|1,0,0]=3 2399 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [0,0,0,1,0,1|0,0,0]=2 2400 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [0,0,0,1,0,1|1,0,1]=4 2401 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [0,0,0,1,0,1|1,0,1]=4 2402 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [0,0,0,1,0,1|1,0,1]=4 2403 B9R1.84 O=C([O-])CSC1COC1 62a_100020667443_100009818527 [0,0,0,1,0,1|0,0,1]=3 2404 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,0,0,1,0,1|1,0,0]=3 2405 B9R1.95 CC(=O)N1CC(C1)CF 11a_100010363649_100015343762 [0,0,0,1,0,1|2,0,0]=4 2406 B9R1.95 CC(=O)N1CC(C1)CF 240690a_100010363649_100015343762 [0,0,0,1,0,1|2,0,0]=4 2407 B9R1.95 CC(=O)N1CC(C1)CF 527a_100010363649_100103153847 [0,0,0,1,0,1|2,0,0]=4 2408 B9R1.95 CC(=O)N1CC(C1)CO 240690a_100016987283_100015343762 [0,0,0,1,0,1|1,0,0]=3 2409 B9R1.95 CC(=O)N1CC(C1)CO 527a_100016987283_100103153847 [0,0,0,1,0,1|1,0,0]=3 2410 B9R1.95 CCC1CN(C1)C(=O)C 11a_100015205115_100015343762 [0,0,0,1,0,1|2,0,0]=4 2411 B9R1.95 CCC1CN(C1)C(=O)C 1626a_100015205115_100015343762 [0,0,0,1,0,1|2,0,0]=4 2412 B9R1.95 CCC1CN(C1)C(=O)C 240690a_100015205115_100015343762 [0,0,0,1,0,1|2,0,0]=4 2413 B9R1.95 CCC1CN(C1)C(=O)C 527a_100015205115_100103153847 [0,0,0,1,0,1|2,0,0]=4 2414 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,0,0,1,0,1|2,0,0]=4 2415 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,0,0,1,0,1|1,0,0]=3 2416 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,0,0,1,0,1|2,0,0]=4 2417 B9R1.147 CC(=O)NCC1(CC1)C 11a_100000766693_100015343762 [0,0,0,1,0,1|2,0,0]=4 2418 B9R1.147 CC(=O)NCC1(CC1)C 1626a_100000766693_100015343762 [0,0,0,1,0,1|2,0,0]=4 2419 B9R1.147 CC(=O)NCC1(CC1)C 240690a_100000766693_100015343762 [0,0,0,1,0,1|2,0,0]=4 2420 B9R1.147 CC(=O)NCC1(CC1)C 527a_100000766693_100103153847 [0,0,0,1,0,1|2,0,0]=4 2421 B9R1.147 CC1(CC1)NCC(=O)N 2230a_100000757604_100000747473 [0,0,0,1,0,1|2,0,0]=4 2422 B9R1.147 CC1(CC1)OCC(=O)N 7a_100011725673_100000187820 [0,0,0,1,0,1|2,0,0]=4 2423 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,1,0,1,0,0|2,0,0]=4 2424 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,1,0,1,0,0|2,0,0]=4 2425 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,1,0,1,0,0|2,0,0]=4 2426 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,1,0,1,0,0|2,0,0]=4 2427 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,1,0,1,0,0|1,1,0]=4 2428 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,1,0,1,0,0|1,1,0]=4 2429 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,1,0,1,0,0|2,0,0]=4 2430 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,1,0,1,0,0|2,0,0]=4 2431 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,1,0,1,0,0|1,1,0]=4 2432 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,1,0,1,0,0|1,1,0]=4 2433 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [0,1,0,1,0,0|2,0,0]=4 2434 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [0,1,0,1,0,0|2,0,0]=4 2435 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [0,1,0,1,0,0|2,0,0]=4 2436 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [0,1,0,1,0,0|2,0,0]=4 2437 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [0,1,0,1,0,0|2,0,0]=4 2438 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [0,1,0,1,0,0|2,0,0]=4 2439 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,1,0,1,0,0|2,0,0]=4 2440 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,1,0,1,0,0|2,0,0]=4 2441 B9R1.110 CC(=O)N(C)C1COC1 11a_100102693430_100015343762 [0,1,0,1,0,0|2,0,0]=4 2442 B9R1.110 CC(=O)N(C)C1COC1 1626a_100102693430_100015343762 [0,1,0,1,0,0|2,0,0]=4 2443 B9R1.110 CC(=O)N(C)C1COC1 240690a_100102693430_100015343762 [0,1,0,1,0,0|2,0,0]=4 2444 B9R1.110 CC(=O)N(C)C1COC1 527a_100102693430_100103153847 [0,1,0,1,0,0|2,0,0]=4 2445 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,1,0,1,0,0|2,0,0]=4 2446 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,1,0,1,0,0|2,0,0]=4 2447 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,1,0,1,0,0|2,0,0]=4 2448 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,1,0,1,0,0|2,0,0]=4 2449 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,1,0,1,0,0|2,0,0]=4 2450 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,1,0,1,0,0|2,0,0]=4 2451 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,1,0,1,0,0|2,0,0]=4 2452 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,1,0,1,0,0|2,0,0]=4 2453 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,1,0,1,0,0|2,0,0]=4 2454 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,1,0,1,0,0|2,0,0]=4 2455 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,1,0,1,0,0|2,0,0]=4 2456 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,1,0,1,0,0|0,0,2]=4 2457 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,1,0,1,0,0|2,0,0]=4 2458 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,1,0,1,0,0|1,0,0]=3 2459 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,1,0,1,0,0|2,0,0]=4 2460 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,1,0,1,0,0|2,0,0]=4 2461 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,1,0,1,0,0|1,0,0]=3 2462 B9R1.7 COCN1CNC(=O)C1 2230a_200000708111_100000766300 [0,1,0,1,0,0|2,0,0]=4 2463 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,1,0,1,0,0|1,0,0]=3 2464 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,1,0,1,0,0|1,1,0]=4 2465 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,1,0,1,0,0|1,1,0]=4 2466 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,1,0,1,0,0|1,1,0]=4 2467 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,1,0,1,0,0|1,1,0]=4 2468 B9R1.7 O=C1CC(CN1)OCF 34a_100000690082_100015361967 [0,1,0,1,0,0|2,0,0]=4 2469 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,1,0,1,0,0|2,0,0]=4 2470 B9R1.7 O=C1CN(CN1)CCO 2230a_200000708111_100000211926 [0,1,0,1,0,0|2,0,0]=4 2471 B9R1.7 O=C1OCC(O1)SCF 62a_100015361967_100000032252 [0,1,0,1,0,0|2,0,0]=4 2472 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,1,0,1,0,0|2,0,0]=4 2473 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,1,0,1,0,0|2,0,0]=4 2474 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,1,0,1,0,0|2,0,0]=4 2475 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,1,0,1,0,0|1,0,0]=3 2476 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,1,0,1,0,0|2,0,0]=4 2477 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,1,0,1,0,0|1,1,0]=4 2478 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,1,0,1,0,0|1,1,0]=4 2479 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,1,0,1,0,0|1,1,0]=4 2480 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,1,0,1,0,0|1,1,0]=4 2481 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [0,1,0,1,0,0|2,0,0]=4 2482 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,1,0,1,0,0|2,0,0]=4 2483 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,1,0,1,0,0|2,0,0]=4 2484 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,1,0,1,0,0|2,0,0]=4 2485 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,1,0,1,0,0|1,0,0]=3 2486 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,1,0,1,0,0|1,0,0]=3 2487 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [0,1,0,1,0,0|2,0,0]=4 2488 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [0,1,0,1,0,0|2,0,0]=4 2489 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [0,1,0,1,0,0|2,0,0]=4 2490 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [0,1,0,1,0,0|2,0,0]=4 2491 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [0,1,0,1,0,0|2,0,0]=4 2492 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [0,1,0,1,0,0|2,0,0]=4 2493 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [0,1,0,1,0,0|2,0,0]=4 2494 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,1,0,1,0,0|2,0,0]=4 2495 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,1,0,1,0,0|1,0,0]=3 2496 B9R1.22 CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200000210301 [0,1,0,1,0,0|1,0,1]=4 2497 B9R1.22 CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200000210301 [0,1,0,1,0,0|1,0,1]=4 2498 B9R1.22 [13CH3]N1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200025704644 [0,1,0,1,0,0|1,0,1]=4 2499 B9R1.22 [13CH3]N1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200025704644 [0,1,0,1,0,0|1,0,1]=4 2500 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [0,1,0,1,0,0|1,0,1]=4 2501 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100015343762 [0,1,0,1,0,0|2,0,0]=4 2502 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100015343762 [0,1,0,1,0,0|2,0,0]=4 2503 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100015343762 [0,1,0,1,0,0|2,0,0]=4 2504 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100103153847 [0,1,0,1,0,0|2,0,0]=4 2505 B9R1.53 CN1CC(C1)CC(=O)O 269956a_100016993960_200000210301 [0,1,0,1,0,0|1,0,0]=3 2506 B9R1.53 NC(=O)CN1CC(C1)O 269982a_100000749847_100000187820 [0,1,0,1,0,0|2,0,0]=4 2507 B9R1.53 O=C([O-])CN1CC(C1)O 269982a_100000749847_100020667443 [0,1,0,1,0,0|1,0,1]=4 2508 B9R1.53 [13CH3]N1CC(C1)CC(=O)O 269956a_100016993960_200025704644 [0,1,0,1,0,0|1,0,0]=3 2509 B9R1.137 CN(CC(=O)O)C1CC1 269956a_100000746989_100000211595 [0,1,0,1,0,0|2,0,0]=4 2510 B9R1.171 CC(=O)CC1(CCC1)C 1458a_100000070787_100000726658 [0,1,0,1,0,0|2,0,0]=4 2511 B9R1.171 CC(=O)CC1(COC1)C 1458a_100000070787_100000066812 [0,1,0,1,0,0|1,0,0]=3 2512 B9R1.171 CC(=O)NC1(COC1)C 11a_100000732644_100015343762 [0,1,0,1,0,0|2,0,0]=4 2513 B9R1.171 CC(=O)NC1(COC1)C 1626a_100000732644_100015343762 [0,1,0,1,0,0|2,0,0]=4 2514 B9R1.171 CC(=O)NC1(COC1)C 527a_100000732644_100103153847 [0,1,0,1,0,0|2,0,0]=4 2515 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,1,0,0|2,0,0]=4 2516 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,1,0,0|2,0,0]=4 2517 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,1,0,0|2,0,0]=4 2518 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,1,0,0|2,0,0]=4 2519 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,1,0,0|2,0,0]=4 2520 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,1,0,0|2,0,0]=4 2521 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,1,0,0|2,0,0]=4 2522 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,1,0,0|2,0,0]=4 2523 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,1,0,0|2,0,0]=4 2524 B9R1.128 CC(=O)NC1(CC1)CO 240690a_100000692850_100015343762 [0,1,0,1,0,0|2,0,0]=4 2525 B9R1.128 CC(=O)NC1(CC1)CO 527a_100000692850_100103153847 [0,1,0,1,0,0|2,0,0]=4 2526 B9R1.128 CCC1(CO1)CC(=O)C 1458a_100000070787_200000139556 [0,1,0,1,0,0|1,0,0]=3 2527 B9R1.79 C#CC(=O)CC1CCC1 1458a_100000211873_100000763275 [0,1,0,1,0,0|2,0,0]=4 2528 B9R1.79 C#CC(=O)CC1COC1 1458a_100000211873_100010264016 [0,1,0,1,0,0|1,0,0]=3 2529 B9R1.79 C=CC(=O)CC1CCC1 1458a_100000185746_100000763275 [0,1,0,1,0,0|2,0,0]=4 2530 B9R1.79 C=CC(=O)CC1COC1 1458a_100000185746_100010264016 [0,1,0,1,0,0|1,0,0]=3 2531 B9R1.79 C=CC(=O)NC1COC1 1626a_100016991112_100000185746 [0,1,0,1,0,0|2,0,0]=4 2532 B9R1.79 C=CC(=O)NC1COC1 240690a_100016991112_200121576911 [0,1,0,1,0,0|2,0,0]=4 2533 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,1,0,1,0,0|2,0,0]=4 2534 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,1,0,1,0,0|2,0,0]=4 2535 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [0,1,0,1,0,0|1,0,0]=3 2536 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [0,1,0,1,0,0|1,0,0]=3 2537 B9R1.79 CCC(=O)NC1COC1 11a_100016991112_100000210414 [0,1,0,1,0,0|2,0,0]=4 2538 B9R1.79 CCC(=O)NC1COC1 1626a_100016991112_100000210414 [0,1,0,1,0,0|2,0,0]=4 2539 B9R1.79 CCC(=O)NC1COC1 240690a_100016991112_100000210414 [0,1,0,1,0,0|2,0,0]=4 2540 B9R1.79 CCC(=O)NC1COC1 527a_100016991112_100000210414 [0,1,0,1,0,0|2,0,0]=4 2541 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [0,1,0,1,0,0|2,0,0]=4 2542 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [0,1,0,1,0,0|2,0,0]=4 2543 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [0,1,0,1,0,0|2,0,0]=4 2544 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [0,1,0,1,0,0|2,0,0]=4 2545 B9R1.79 CNC(=O)CC1COC1 11a_106832991635_100000687760 [0,1,0,1,0,0|1,0,0]=3 2546 B9R1.79 CNC(=O)CC1COC1 1626a_100102657272_100000687760 [0,1,0,1,0,0|1,0,0]=3 2547 B9R1.79 CNC(=O)NC1COC1 2708a_100016991112_106832991635 [0,1,0,1,0,0|2,0,0]=4 2548 B9R1.79 CNC(=O)NC1COC1 2708a_100102657272_100016991112 [0,1,0,1,0,0|2,0,0]=4 2549 B9R1.79 CNC(=O)NC1COC1 273464a_100016991112_100102657272 [0,1,0,1,0,0|2,0,0]=4 2550 B9R1.79 CNC(=O)NC1COC1 273464a_100102657272_100016991112 [0,1,0,1,0,0|2,0,0]=4 2551 B9R1.79 CNC(=O)NC1COC1 512a_100016991112_100102657272 [0,1,0,1,0,0|2,0,0]=4 2552 B9R1.79 CNC(=O)NC1COC1 512a_106832991638_100016991112 [0,1,0,1,0,0|2,0,0]=4 2553 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [0,1,0,1,0,0|2,0,0]=4 2554 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [0,1,0,1,0,0|2,0,0]=4 2555 B9R1.79 O=C(CF)CC1COC1 1458a_100000687760_100015361967 [0,1,0,1,0,0|1,0,0]=3 2556 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,1,0,1,0,0|1,0,0]=3 2557 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [0,1,0,1,0,0|2,0,0]=4 2558 B9R1.79 O=C(CO)CC1COC1 1458a_100000210174_100010264016 [0,1,0,1,0,0|0,0,0]=2 2559 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [0,1,0,1,0,0|2,0,0]=4 2560 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [0,1,0,1,0,0|2,0,0]=4 2561 B9R1.79 O=C(CO)NC1COC1 240690a_100016991112_100000210174 [0,1,0,1,0,0|1,0,0]=3 2562 B9R1.79 O=C(CO)NC1COC1 527a_100016991112_100000210174 [0,1,0,1,0,0|1,0,0]=3 2563 B9R1.79 O=C(CO)NC1CSC1 240690a_100016994217_100000210174 [0,1,0,1,0,0|1,1,0]=4 2564 B9R1.79 O=C(CO)NC1CSC1 527a_100016994217_100000210174 [0,1,0,1,0,0|1,1,0]=4 2565 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,1,0,1,0,0|2,0,0]=4 2566 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [0,1,0,1,0,0|2,0,0]=4 2567 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,1,0,1,0,0|2,0,0]=4 2568 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,1,0,1,0,0|2,0,0]=4 2569 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,1,0,1,0,0|2,0,0]=4 2570 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,1,0,1,0,0|2,0,0]=4 2571 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [0,1,0,1,0,0|2,0,0]=4 2572 B9R1.113 C#CC(=O)CC1(CO1)C 1458a_100000211873_100000760498 [0,1,0,1,0,0|1,0,0]=3 2573 B9R1.113 C=CC(=O)CC1(CO1)C 1458a_100000185746_100000760498 [0,1,0,1,0,0|1,0,0]=3 2574 B9R1.113 CC1(CC1)CC(=O)CF 1458a_100000112800_100015361967 [0,1,0,1,0,0|2,0,0]=4 2575 B9R1.113 CC1(CC1)NC(=O)CO 240690a_100000757604_100000210174 [0,1,0,1,0,0|2,0,0]=4 2576 B9R1.113 CC1(CC1)NC(=O)CO 527a_100000757604_100000210174 [0,1,0,1,0,0|2,0,0]=4 2577 B9R1.113 CC1(CO1)CC(=O)CO 1458a_100000210174_100000760498 [0,1,0,1,0,0|0,0,0]=2 2578 B9R1.113 CCC(=O)CC1(CC1)C 1458a_100000112800_100000210202 [0,1,0,1,0,0|2,0,0]=4 2579 B9R1.113 CCC(=O)CC1(CO1)C 1458a_100000210414_100000760498 [0,1,0,1,0,0|1,0,0]=3 2580 B9R1.113 CNC(=O)CC1(CC1)C 11a_106832991635_100000112800 [0,1,0,1,0,0|2,0,0]=4 2581 B9R1.113 CNC(=O)CC1(CC1)C 1626a_100102657272_100000112800 [0,1,0,1,0,0|2,0,0]=4 2582 B9R1.113 CNC(=O)CC1(CC1)C 240690a_100102657272_100000112800 [0,1,0,1,0,0|2,0,0]=4 2583 B9R1.113 CNC(=O)CC1(CC1)C 527a_100102657272_100000112800 [0,1,0,1,0,0|2,0,0]=4 2584 B9R1.170 CC(=O)CC1CC1(F)F 1458a_100000070787_100009817841 [0,1,0,1,0,0|2,0,0]=4 2585 B9R1.170 CC(=O)CC1CC1(F)F 1458a_100000138109_200000210301 [0,1,0,1,0,0|2,0,0]=4 2586 B9R1.170 [13CH3]C(=O)CC1CC1(F)F 1458a_100000138109_200025704644 [0,1,0,1,0,0|2,0,0]=4 2587 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,0,0,1,0|1,0,0]=3 2588 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,0,0,1,0|1,0,0]=3 2589 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,0,0,1,0|2,0,0]=4 2590 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,0,0,0,1,0|2,0,0]=4 2591 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,0,0,1,0|2,0,0]=4 2592 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,0,0,1,0|2,0,0]=4 2593 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,0,0,1,0|2,0,0]=4 2594 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,0,0,1,0|2,0,0]=4 2595 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,0,0,1,0|1,0,0]=3 2596 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,0,0,1,0|1,0,0]=3 2597 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,0,0,1,0|1,0,0]=3 2598 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,0,0,1,0|2,0,0]=4 2599 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,0,0,1,0|1,0,0]=3 2600 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,0,0,1,0|1,0,0]=3 2601 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,0,0,0,1,0|2,0,0]=4 2602 B9R0.1 C#CC(C)NOCC(=O)O 269956a_100000106656_200000035995 [0,0,0,0,0,2|1,0,1]=4 2603 B9R0.1 C=C(Br)CCOC(C)CO 34a_100009813270_100012180447 [0,0,0,0,0,2|2,0,0]=4 2604 B9R0.1 C=C(C)CCN[C@H](C)CO 2230a_100000737577_100000730704 [0,0,0,0,0,2|2,0,0]=4 2605 B9R0.1 C=C(C)CCOC(C)CO 34a_100000764851_100012180447 [0,0,0,0,0,2|2,0,0]=4 2606 B9R0.1 C=C(C)CCSC(C)CO 62a_100012180447_100000730704 [0,0,0,0,0,2|2,0,0]=4 2607 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100000730704_100016084084 [0,0,0,0,0,2|2,0,0]=4 2608 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100016084084_100000730704 [0,0,0,0,0,2|2,0,0]=4 2609 B9R0.1 C=C(C)CNCC(C)CO 34a_100000744482_100000748629 [0,0,0,0,0,2|2,0,0]=4 2610 B9R0.1 C=C(C)COC[C@@H](C)CO 34a_100000210245_100000059175 [0,0,0,0,0,2|2,0,0]=4 2611 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000059175_100000211660 [0,0,0,0,0,2|2,0,0]=4 2612 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000748629_100000059175 [0,0,0,0,0,2|2,0,0]=4 2613 B9R0.1 C=C(F)CNCC(C)CO 34a_100000744482_100009893438 [0,0,0,0,0,2|2,0,0]=4 2614 B9R0.1 C=C(F)COC[C@@H](C)CO 34a_200010262243_100000059175 [0,0,0,0,0,2|2,0,0]=4 2615 B9R0.1 C=C(F)CSC[C@@H](C)CO 62a_100000042424_100000059175 [0,0,0,0,0,2|2,0,0]=4 2616 B9R0.1 C=C(F)CSC[C@@H](C)CO 62a_100000059175_100000042424 [0,0,0,0,0,2|2,0,0]=4 2617 B9R0.1 C=CC(C)NOCC(=O)O 269956a_100000106656_100011215867 [0,0,0,0,0,2|1,0,1]=4 2618 B9R0.1 CC(=CCNC(C)CO)C 34a_100000718196_100012180447 [0,0,0,0,0,2|2,0,0]=4 2619 B9R0.1 CC(=CCN[C@H](C)CO)C 2230a_100000737577_100000761012 [0,0,0,0,0,2|2,0,0]=4 2620 B9R0.1 CC(=CCOC(C)CO)C 34a_100000753907_100012180447 [0,0,0,0,0,2|2,0,0]=4 2621 B9R0.1 CC(=CCSC(C)CO)C 62a_100012180447_100000761012 [0,0,0,0,0,2|2,0,0]=4 2622 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100000761012_100016084084 [0,0,0,0,0,2|2,0,0]=4 2623 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100016084084_100000761012 [0,0,0,0,0,2|2,0,0]=4 2624 B9R0.1 CC(=O)CCOC(C)CF 7a_100016041109_100000053229 [0,0,0,0,0,2|2,0,0]=4 2625 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,0,0,0,0,2|1,0,0]=3 2626 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,0,0,0,0,2|1,0,0]=3 2627 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,0,0,0,0,2|1,0,0]=3 2628 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,0,0,0,0,2|1,0,0]=3 2629 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,0,0,0,0,2|1,0,0]=3 2630 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,0,0,0,0,2|2,0,0]=4 2631 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,0,0,0,0,2|1,0,0]=3 2632 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,0,0,0,0,2|2,0,0]=4 2633 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,0,0,0,0,2|1,0,0]=3 2634 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,0,0,0,0,2|1,0,0]=3 2635 B9R0.1 CC(=O)OCOC(C)CF 34a_100016041109_100009813279 [0,0,0,0,0,2|2,0,0]=4 2636 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [0,0,0,0,0,2|2,0,0]=4 2637 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [0,0,0,0,0,2|1,0,0]=3 2638 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [0,0,0,0,0,2|1,0,0]=3 2639 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [0,0,0,0,0,2|1,0,0]=3 2640 B9R0.1 CC(C#N)NOCC(=O)O 269956a_100000106656_100000184139 [0,0,0,0,0,2|1,0,1]=4 2641 B9R0.1 CC(CF)OCCC(=O)N 34a_100016041109_100000731001 [0,0,0,0,0,2|2,0,0]=4 2642 B9R0.1 CC(CF)OCCC(=O)N 7a_100016041109_100000744528 [0,0,0,0,0,2|2,0,0]=4 2643 B9R0.1 CC(CN)COCC(=O)N 34a_100000744482_100000187820 [0,0,0,0,0,2|2,0,0]=4 2644 B9R0.1 CC(CN)COCC(=O)[O-] 34a_100000744482_100020667443 [0,0,0,0,0,2|1,0,1]=4 2645 B9R0.1 CC(CN)OCCC(=O)N 34a_100000210904_100000731001 [0,0,0,0,0,2|2,0,0]=4 2646 B9R0.1 CC(CO)CNCC(=O)N 34a_100000744482_100000187820 [0,0,0,0,0,2|1,0,0]=3 2647 B9R0.1 CC(CO)CNCC(=O)[O-] 34a_100000744482_100020667443 [0,0,0,0,0,2|0,0,1]=3 2648 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [0,0,0,0,0,2|1,0,1]=4 2649 B9R0.1 CC(CO)CNC[N+](=O)[O-] 34a_100000744482_100000761209 [0,0,0,0,0,2|1,0,1]=4 2650 B9R0.1 CC(CO)OCCC(=O)N 34a_100000757172_100012180447 [0,0,0,0,0,2|1,0,0]=3 2651 B9R0.1 CC(CO)OCCC(=O)N 7a_100000757172_100012180447 [0,0,0,0,0,2|1,0,0]=3 2652 B9R0.1 CC(CO)SCCC(=O)N 62a_100012180447_100000744528 [0,0,0,0,0,2|1,0,0]=3 2653 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [0,0,0,0,0,2|1,0,1]=4 2654 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [0,0,0,0,0,2|1,0,1]=4 2655 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [0,0,0,0,0,2|1,0,1]=4 2656 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [0,0,0,0,0,2|1,0,1]=4 2657 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [0,0,0,0,0,2|1,0,1]=4 2658 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [0,0,0,0,0,2|1,0,1]=4 2659 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [0,0,0,0,0,2|1,0,1]=4 2660 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [0,0,0,0,0,2|1,0,1]=4 2661 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [0,0,0,0,0,2|1,0,1]=4 2662 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [0,0,0,0,0,2|1,0,1]=4 2663 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,0,0,0,0,2|2,0,0]=4 2664 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,0,0,0,0,2|2,0,0]=4 2665 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,0,0,0,0,2|2,0,0]=4 2666 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,0,0,0,0,2|2,0,0]=4 2667 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [0,0,0,0,0,2|2,0,0]=4 2668 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [0,0,0,0,0,2|2,0,0]=4 2669 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,0,0,0,0,2|1,0,0]=3 2670 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,0,0,0,0,2|2,0,0]=4 2671 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [0,0,0,0,0,2|2,0,0]=4 2672 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [0,0,0,0,0,2|2,0,0]=4 2673 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [0,0,0,0,0,2|1,0,1]=4 2674 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [0,0,0,0,0,2|1,0,1]=4 2675 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [0,0,0,0,0,2|2,0,0]=4 2676 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [0,0,0,0,0,2|1,0,0]=3 2677 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,0,0,0,0,2|2,0,0]=4 2678 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,0,0,0,0,2|2,0,0]=4 2679 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,0,0,0,0,2|2,0,0]=4 2680 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [0,0,0,0,0,2|2,0,0]=4 2681 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [0,0,0,0,0,2|2,0,0]=4 2682 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [0,0,0,0,0,2|2,0,0]=4 2683 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,0,0,0,0,2|2,0,0]=4 2684 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,0,0,0,0,2|2,0,0]=4 2685 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,0,0,0,0,2|2,0,0]=4 2686 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,0,0,0,0,2|2,0,0]=4 2687 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,0,0,0,0,2|2,0,0]=4 2688 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,0,0,0,0,2|2,0,0]=4 2689 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,0,0,0,0,2|2,0,0]=4 2690 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,0,0,0,0,2|2,0,0]=4 2691 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [0,0,0,0,0,2|2,0,0]=4 2692 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,0,0,0,0,2|1,0,0]=3 2693 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,0,0,0,0,2|2,0,0]=4 2694 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [0,0,0,0,0,2|2,0,0]=4 2695 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [0,0,0,0,0,2|2,0,0]=4 2696 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [0,0,0,0,0,2|2,0,0]=4 2697 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [0,0,0,0,0,2|1,0,1]=4 2698 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [0,0,0,0,0,2|1,0,1]=4 2699 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,0,0,0,0,2|2,0,0]=4 2700 B9R0.1 COC(C)NOCC(=O)O 269956a_100000106656_100009879195 [0,0,0,0,0,2|2,0,0]=4 2701 B9R0.1 C[C@@H](CO)CNCC(=O)N 2230a_100000711301_100000059175 [0,0,0,0,0,2|1,0,0]=3 2702 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,0,0,0,0,2|0,0,0]=2 2703 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000059175_100000747473 [0,0,0,0,0,2|1,0,0]=3 2704 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000747473_100000059175 [0,0,0,0,0,2|1,0,0]=3 2705 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100000059175_100020667443 [0,0,0,0,0,2|0,0,1]=3 2706 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100020667443_100000059175 [0,0,0,0,0,2|0,0,1]=3 2707 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [0,0,0,0,0,2|1,0,1]=4 2708 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [0,0,0,0,0,2|1,0,1]=4 2709 B9R0.1 C[C@@H](CO)CSC[N+](=O)[O-] 62a_100000059175_100000761209 [0,0,0,0,0,2|1,0,1]=4 2710 B9R0.1 C[C@H](CO)NCCC(=O)N 2230a_100000737577_100000744528 [0,0,0,0,0,2|1,0,0]=3 2711 B9R0.1 C[C@H](CO)NOCC(=O)O 269956a_100000106656_100016084084 [0,0,0,0,0,2|0,0,0]=2 2712 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100000744528_100016084084 [0,0,0,0,0,2|1,0,0]=3 2713 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100016084084_100000744528 [0,0,0,0,0,2|1,0,0]=3 2714 B9R0.1 NC(=O)CNCC(O)CO 2230a_100000711301_100011219619 [0,0,0,0,0,2|2,0,0]=4 2715 B9R0.1 NC(=O)CNC[C@@H](F)CO 34a_100015665980_100000187820 [0,0,0,0,0,2|2,0,0]=4 2716 B9R0.1 NC(=O)CNC[C@@H](O)CO 2230a_100000711301_100009815848 [0,0,0,0,0,2|2,0,0]=4 2717 B9R0.1 NC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747473 [0,0,0,0,0,2|2,0,0]=4 2718 B9R0.1 NC(=O)CSCC(O)CO 62a_100000747473_100011219619 [0,0,0,0,0,2|2,0,0]=4 2719 B9R0.1 NC(=O)CSCC(O)CO 62a_100011219619_100000747473 [0,0,0,0,0,2|2,0,0]=4 2720 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100000747473_100009815848 [0,0,0,0,0,2|2,0,0]=4 2721 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747473 [0,0,0,0,0,2|2,0,0]=4 2722 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,0,0,0,0,2|1,0,0]=3 2723 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,0,0,0,0,2|2,0,0]=4 2724 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,0,0,0,0,2|1,0,0]=3 2725 B9R0.1 O=C([O-])CNC[C@@H](F)CO 34a_100015665980_100020667443 [0,0,0,0,0,2|1,0,1]=4 2726 B9R0.1 O=C([O-])CSCC(O)CO 62a_100011219619_100020667443 [0,0,0,0,0,2|1,0,1]=4 2727 B9R0.1 O=C([O-])CSCC(O)CO 62a_100020667443_100011219619 [0,0,0,0,0,2|1,0,1]=4 2728 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100009815848_100020667443 [0,0,0,0,0,2|1,0,1]=4 2729 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100020667443_100009815848 [0,0,0,0,0,2|1,0,1]=4