0 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 34a_100000039676_200025704644 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 7a_100000039676_200025704644 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,0,0,0,0,0|1,0,3]=4 24 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,0,0,0,0,0|2,0,2]=4 25 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,0,0,0,0,0|2,0,0]=2 28 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,0,0,0,0,0|2,0,0]=2 29 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,0,0,0,0,0|4,0,0]=4 31 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,0,0,0,0,0|4,0,0]=4 32 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,0,0,0,0,0|3,0,0]=3 34 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,0,0,0,0,0|3,0,0]=3 36 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,0,0,0,0,0|2,0,0]=2 37 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,0,0,0,0,0|2,0,0]=2 38 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,0,0,0,0,0|3,0,0]=3 42 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,0,0,0,0,0|3,0,0]=3 43 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,0,0,0,0,0|3,0,0]=3 44 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,0,0,0,0,0|2,0,0]=2 45 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,0,0,0,0,0|3,0,0]=3 50 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,0,0,0,0,0|3,0,0]=3 51 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,0,0,0,0,0|3,0,0]=3 52 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,0,0,0,0,0|2,0,1]=3 53 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,0,0,0,0,0|2,0,1]=3 54 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,0,0,0,0,0|3,0,0]=3 58 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,0,0,0,0,0|3,0,0]=3 59 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,0,0,0,0,0|3,0,0]=3 60 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,0,0,0,0,0|3,0,0]=3 61 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,0,0,0,0,0|3,0,0]=3 62 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,0,0,0,0,0|3,0,0]=3 63 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,0,0,0,0,0|3,0,0]=3 64 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,0,0,0,0,0|2,0,1]=3 65 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,0,0,0,0,0|2,0,1]=3 66 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,0,0,0,0,0|2,0,0]=2 68 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,0,0,0,0,0|2,0,0]=2 69 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,0,0,0,0,0|3,0,0]=3 71 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,0,0,0,0,0|3,0,0]=3 72 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,0,0,0,0,0|3,0,0]=3 73 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,0,0,0,0,0|3,0,0]=3 74 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,0,0,0,0,0|3,0,0]=3 75 B7R0.5 COCC(C)[N+](=O)[O-] 34a_100000039676_200000210301 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.5 COCC(C)[N+](=O)[O-] 7a_100000039676_200000210301 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,0,0,0,0,0|2,0,0]=2 78 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,0,0,0,0,0|3,0,0]=3 82 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,0,0,0,0,0|3,0,0]=3 83 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,0,0,0,0,0|4,0,0]=4 84 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,0,0,0,0,0|4,0,0]=4 85 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,0,0,0,0,0|4,0,0]=4 86 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,0,0,0,0,0|3,0,0]=3 87 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,0,0,0,0,0|3,0,1]=4 88 B7R0.5 NC(=O)C(F)SCF 62a_100009813875_100015361967 [0,0,0,0,0,0|4,0,0]=4 89 B7R0.5 NC(=O)C(F)SCF 62a_100015361967_100009813875 [0,0,0,0,0,0|4,0,0]=4 90 B7R0.5 O=C([O-])C(F)SCF 62a_100015361967_100020610796 [0,0,0,0,0,0|3,0,1]=4 91 B7R0.5 O=C([O-])C(F)SCF 62a_100020610796_100015361967 [0,0,0,0,0,0|3,0,1]=4 92 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,0,0,0,0,0|2,0,0]=2 93 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,0,0,0,0,0|2,0,0]=2 94 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [1,0,0,0,0,0|3,0,0]=4 96 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [1,0,0,0,0,0|3,0,0]=4 97 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [1,0,0,0,0,0|3,0,0]=4 101 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [1,0,0,0,0,0|3,0,0]=4 103 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [1,0,0,0,0,0|3,0,0]=4 104 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [1,0,0,0,0,0|3,0,0]=4 106 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [1,0,0,0,0,0|3,0,0]=4 107 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [1,0,0,0,0,0|3,0,0]=4 108 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [1,0,0,0,0,0|3,0,0]=4 109 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [1,0,0,0,0,0|2,0,0]=3 111 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|1,0,2]=4 113 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,0,0,0,0|3,0,0]=4 114 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,0,0,0,0|3,0,0]=4 118 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,0,0,0,0|3,0,0]=4 121 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,0,0,0,0|3,0,0]=4 122 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,0,0,0,0|3,0,0]=4 123 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,0,0,0,0|3,0,0]=4 124 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,0,0,0,0|3,0,0]=4 125 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,0,0,0,0|3,0,0]=4 126 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,0,0,0,0|3,0,0]=4 127 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,0,0,0,0,0|2,0,1]=4 129 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,0,0,0,0,0|2,0,1]=4 130 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,0,0,0,0|2,0,1]=4 131 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [1,0,0,0,0,0|2,0,1]=4 137 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,0,0,0,0,0|2,0,1]=4 140 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,0,0,0,0,0|2,0,1]=4 150 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,0,0,0,0,0|2,0,1]=4 152 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [1,0,0,0,0,0|2,0,1]=4 159 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,0,0,0,0|3,0,0]=4 164 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,0,0,0,0,0|3,0,0]=4 165 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,0,0,0,0,0|3,0,0]=4 166 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,0,0,0,0,0|3,0,0]=4 168 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,0,0,0,0,0|3,0,0]=4 169 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,0,0,0,0|2,0,0]=3 170 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,0,0,0,0|2,0,0]=3 171 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,0,0,0,0|2,0,0]=3 172 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,0,0,0,0|2,0,0]=3 173 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,0,0,0,0|2,0,0]=3 174 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,0,0,0,0|3,0,0]=4 175 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,0,0,0,0|3,0,0]=4 176 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,0,0,0,0|3,0,0]=4 177 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,0,0,0,0|3,0,0]=4 178 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,0,0,0,0,0|3,0,0]=4 179 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,0,0,0,0,0|3,0,0]=4 180 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,0,0,0,0,0|3,0,0]=4 181 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,0,0,0,0,0|3,0,0]=4 182 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,0,0,0,0,0|3,0,0]=4 183 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [1,0,0,0,0,0|3,0,0]=4 184 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [1,0,0,0,0,0|3,0,0]=4 185 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [1,0,0,0,0,0|3,0,0]=4 186 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [1,0,0,0,0,0|2,0,1]=4 187 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,0,0,0,0,0|2,0,0]=3 188 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,0,0,0,0,0|3,0,0]=4 189 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,0,0,0,0,0|3,0,0]=4 190 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,0,0,0,0|3,0,0]=4 191 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,0,0,0,0|3,0,0]=4 192 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,0,0,0,0,0|3,0,0]=4 193 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,0,0,0,0|3,0,0]=4 194 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,0,0,0,0,0|3,0,0]=4 195 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,0,0,0,0,0|2,0,1]=4 197 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,0,0,0,0,0|3,0,0]=4 198 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,0,0,0,0,0|3,0,0]=4 199 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,0,0,0,0,0|3,0,0]=4 200 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,0,0,0,0,0|3,0,0]=4 201 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,0,0,0,0,0|3,0,0]=4 202 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,0,0,0,0,0|3,0,0]=4 203 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,0,0,0,0,0|3,0,0]=4 204 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,0,0,0,0,0|3,0,0]=4 205 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [1,0,0,0,0,0|3,0,0]=4 206 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [1,0,0,0,0,0|3,0,0]=4 207 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [1,0,0,0,0,0|2,0,1]=4 208 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,0,0,0,0,0|3,0,0]=4 210 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,0,0,0,0,0|3,0,0]=4 211 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,0,0,0,0,0|3,0,0]=4 212 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,0,0,0,0,0|3,0,0]=4 213 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,0,0,0,0,0|2,0,0]=3 214 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,0,0,0,0,0|3,0,0]=4 216 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [1,0,0,0,0,0|3,0,0]=4 217 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [1,0,0,0,0,0|3,0,0]=4 218 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [1,0,0,0,0,0|2,0,1]=4 219 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [1,0,0,0,0,0|2,0,1]=4 220 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,0,0,0,0|1,0,2]=4 221 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,0,0,0,0|1,0,2]=4 222 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,0,0,0,0|1,0,2]=4 223 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|1,0,2]=4 224 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,0,0,0,0,0|3,0,0]=4 225 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,0,0,0,0,0|3,0,0]=4 226 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,0,0,0,0|3,0,0]=4 227 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,0,0,0,0|3,0,0]=4 228 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,0,0,0,0|3,0,0]=4 229 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,0,0,0,0|3,0,0]=4 230 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,0,0,0,0|3,0,0]=4 231 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,0,0,0,0|3,0,0]=4 232 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,0,0,0,0|3,0,0]=4 233 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,0,0,0,0|3,0,0]=4 234 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,0,0,0,0|3,0,0]=4 235 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,0,0,0,0|3,0,0]=4 236 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,0,0,0,0|3,0,0]=4 237 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,0,0,0,0|3,0,0]=4 238 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,0,0,0,0|3,0,0]=4 239 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,0,0,0,0|3,0,0]=4 240 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,0,0,0,0|3,0,0]=4 241 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,0,0,0,0,0|3,0,0]=4 242 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,0,0,0,0,0|3,0,0]=4 243 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,0,0,0,0,0|3,0,0]=4 244 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,0,0,0,0,0|3,0,0]=4 245 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,0,0,0,0,0|3,0,0]=4 246 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|1,0,2]=4 247 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|1,0,2]=4 248 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|1,0,2]=4 249 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,0,0,0,0|1,0,2]=4 250 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,0,0,0,0|2,0,1]=4 251 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,0,0,0,0|2,0,1]=4 252 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|2,0,0]=3 253 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|2,0,0]=3 254 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|2,0,0]=3 255 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|2,0,0]=3 256 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|2,0,0]=3 257 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|2,0,0]=3 258 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|3,0,0]=4 259 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 260 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 261 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 262 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|3,0,0]=4 263 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|3,0,0]=4 264 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|3,0,0]=4 265 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|3,0,0]=4 266 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|3,0,0]=4 267 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,0,0,0,0|2,0,1]=4 269 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,0,0,0,0|2,0,1]=4 270 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|1,0,2]=4 271 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|1,0,2]=4 272 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|1,0,2]=4 273 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,0,0,0,0|1,0,2]=4 274 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,0,0,0,0|1,0,2]=4 275 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|1,0,2]=4 276 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|1,0,2]=4 277 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|1,0,0]=2 278 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|1,0,0]=2 279 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|1,0,0]=2 280 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,0,0,0,0|3,0,0]=4 281 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,0,0,0,0|3,0,0]=4 282 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,0,0,0,0|3,0,0]=4 283 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,0,0,0,0|3,0,0]=4 284 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,0,0,0,0|3,0,0]=4 285 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,0,0,0,0|3,0,0]=4 286 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 287 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 288 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 289 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|2,0,0]=3 290 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|2,0,0]=3 291 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|2,0,0]=3 292 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|1,0,0]=2 293 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 294 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,0,0,0,0|2,0,1]=4 295 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 296 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,0,0,0,0|2,0,1]=4 297 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,0,0,0,0|3,0,0]=4 298 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|2,0,0]=3 299 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|2,0,0]=3 300 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|2,0,0]=3 301 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|2,0,0]=3 302 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|1,0,1]=3 303 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,0,0,0,0|2,0,1]=4 304 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,0,0,0,0|2,0,1]=4 305 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,0,0,0,0,0|2,0,1]=4 306 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|2,0,0]=3 307 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|2,0,0]=3 308 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|2,0,0]=3 309 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|2,0,0]=3 310 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|1,0,1]=3 311 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|1,0,1]=3 312 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,0,0,0,0|2,0,1]=4 313 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,0,0,0,0|2,0,1]=4 314 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,0,0,0,0|2,0,1]=4 315 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,0,0,0,0|2,0,1]=4 316 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,0,0,0,0,0|2,0,1]=4 317 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|2,0,0]=3 318 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 319 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|2,0,0]=3 320 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 321 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,0,0,0,0|2,0,1]=4 322 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,0,0,0,0|2,0,1]=4 323 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|3,0,0]=4 326 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|2,0,0]=3 327 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|2,0,0]=3 328 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|2,0,0]=3 329 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|2,0,0]=3 330 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|2,0,0]=3 331 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 332 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|2,0,0]=3 333 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 334 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|2,0,0]=3 335 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,0,0,0,0|2,0,1]=4 336 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|3,0,0]=4 337 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|2,0,0]=3 338 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|2,0,0]=3 339 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|2,0,0]=3 340 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|2,0,0]=3 341 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|2,0,0]=3 342 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|2,0,0]=3 343 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|2,0,0]=3 344 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,0,0,0,0|2,0,1]=4 345 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,0,0,0,0|2,0,1]=4 346 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|3,0,0]=4 347 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|3,0,0]=4 348 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,0,0,0,0,0|3,0,0]=4 349 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,0,0,0,0,0|3,0,0]=4 350 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,0,0,0,0|2,0,0]=3 351 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,0,0,0,0,0|2,0,1]=4 352 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,0,0,0,0,0|2,0,1]=4 353 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|2,0,0]=3 355 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 356 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 357 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|2,0,0]=3 358 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|2,0,0]=3 359 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,1,0,0,0,0|3,0,0]=4 360 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,1,0,0,0,0|3,0,0]=4 361 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,1,0,0,0,0|2,0,1]=4 362 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,1,0,0,0,0|2,0,1]=4 363 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,1,0,0,0,0|2,0,1]=4 364 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [0,1,0,0,0,0|2,0,1]=4 365 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [0,1,0,0,0,0|1,0,2]=4 366 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,1,0,0,0,0|3,0,0]=4 367 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,1,0,0,0,0|3,0,0]=4 368 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,1,0,0,0,0|3,0,0]=4 369 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,1,0,0,0,0|3,0,0]=4 370 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,1,0,0,0,0|3,0,0]=4 371 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,1,0,0,0,0|3,0,0]=4 372 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,1,0,0,0,0|3,0,0]=4 373 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,1,0,0,0,0|3,0,0]=4 374 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,1,0,0,0,0|3,0,0]=4 375 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,1,0,0,0,0|3,0,0]=4 376 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,1,0,0,0,0|3,0,0]=4 377 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,0,0,0,0|2,0,0]=3 378 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,1,0,0,0,0|3,0,0]=4 379 B8R0.2 CCN(C)C(F)C(=O)N 2230a_100000225621_100009813875 [0,1,0,0,0,0|3,0,0]=4 380 B8R0.2 CCN(C)C(F)C(=O)N 269982a_100000225621_100009813875 [0,1,0,0,0,0|3,0,0]=4 381 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,1,0,0,0,0|3,0,0]=4 382 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,1,0,0,0,0|3,0,0]=4 383 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,1,0,0,0,0|2,0,0]=3 384 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,1,0,0,0,0|2,0,0]=3 385 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,1,0,0,0,0|3,0,0]=4 386 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,1,0,0,0,0|2,0,0]=3 387 B8R0.3 C#CC(=O)C(C)CCO 1458a_100000211873_100009893172 [0,1,0,0,0,0|3,0,0]=4 388 B8R0.3 C#CC(=O)C(C)COC 1458a_100000211873_100000765312 [0,1,0,0,0,0|3,0,0]=4 389 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,1,0,0,0,0|2,0,1]=4 390 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,1,0,0,0,0|2,0,1]=4 391 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,1,0,0,0,0|2,0,0]=3 396 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [0,1,0,0,0,0|3,0,0]=4 397 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [0,1,0,0,0,0|3,0,0]=4 398 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [0,1,0,0,0,0|3,0,0]=4 399 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [0,1,0,0,0,0|3,0,0]=4 400 B8R0.3 CC(CC#N)C(=O)CO 1458a_100000210174_100009813641 [0,1,0,0,0,0|2,0,1]=4 401 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,1,0,0,0,0|2,0,0]=3 402 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,1,0,0,0,0|3,0,0]=4 403 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,1,0,0,0,0|3,0,0]=4 404 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,1,0,0,0,0|3,0,0]=4 405 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,1,0,0,0,0|3,0,0]=4 406 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,0,0,0,0|2,0,1]=4 407 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,0,0,0,0|2,0,0]=3 408 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,0,0,0,0|2,0,0]=3 409 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,0,0,0,0|2,0,0]=3 410 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,0,0,0,0|1,0,0]=2 411 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,0,0,0,0|2,0,0]=3 412 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,0,0,0,0|2,0,0]=3 413 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,0,0,0,0|2,0,0]=3 414 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,0,0,0,0|2,0,0]=3 415 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,1,0,0,0,0|2,0,1]=4 416 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,1,0,0,0,0|2,0,1]=4 417 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,1,0,0,0,0|2,0,1]=4 418 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,1,0,0,0,0|2,0,1]=4 419 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 420 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 421 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 422 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 423 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,1,0,0,0,0|2,0,0]=3 424 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,1,0,0,0,0|2,0,0]=3 425 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,1,0,0,0,0|3,0,0]=4 426 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,1,0,0,0,0|3,0,0]=4 427 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,0,0,0,0|2,0,0]=3 428 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,1,0,0,0,0|2,0,0]=3 429 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,1,0,0,0,0|2,0,0]=3 430 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,1,0,0,0,0|2,0,1]=4 431 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,1,0,0,0,0|2,0,1]=4 432 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,1,0,0,0,0|2,0,1]=4 433 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,1,0,0,0,0|3,0,0]=4 434 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,1,0,0,0,0|3,0,0]=4 435 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,1,0,0,0,0|2,0,0]=3 436 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,1,0,0,0,0|3,0,0]=4 437 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,1,0,0,0,0|3,0,0]=4 438 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,1,0,0,0,0|3,0,0]=4 439 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,0,0,0,0|3,0,0]=4 440 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,1,0,0,0,0|3,0,0]=4 441 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,1,0,0,0,0|3,0,0]=4 442 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,1,0,0,0,0|3,0,0]=4 443 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,1,0,0,0,0|3,0,0]=4 444 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,1,0,0,0,0|3,0,0]=4 445 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,1,0,0,0,0|3,0,0]=4 446 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,1,0,0,0,0|3,0,0]=4 447 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,0,0,0,0|2,0,0]=3 448 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,0,0,0,0|2,0,0]=3 449 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,1,0,0,0,0|3,0,0]=4 450 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,1,0,0,0,0|3,0,0]=4 451 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,1,0,0,0,0|3,0,0]=4 452 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,1,0,0,0,0|3,0,0]=4 453 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,1,0,0,0,0|3,0,0]=4 454 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,1,0,0,0,0|3,0,0]=4 455 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,1,0,0,0,0|3,0,0]=4 456 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,1,0,0,0,0|3,0,0]=4 457 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,1,0,0,0,0|3,0,0]=4 458 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,1,0,0,0,0|3,0,0]=4 459 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,1,0,0,0,0|3,0,0]=4 460 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,0,0,0,0|2,0,0]=3 461 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,0,0,0,0|2,0,0]=3 462 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,1,0,0,0,0|3,0,0]=4 463 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,1,0,0,0,0|3,0,0]=4 464 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,1,0,0,0,0|3,0,0]=4 465 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,1,0,0,0,0|3,0,0]=4 466 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,1,0,0,0,0|3,0,0]=4 467 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,1,0,0,0,0|3,0,0]=4 468 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,1,0,0,0,0|3,0,0]=4 469 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,1,0,0,0,0|3,0,0]=4 470 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,1,0,0,0,0|3,0,0]=4 471 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,1,0,0,0,0|3,0,0]=4 472 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,1,0,0,0,0|3,0,0]=4 473 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,1,0,0,0,0|3,0,0]=4 474 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,1,0,0,0,0|3,0,0]=4 475 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,1,0,0,0,0|3,0,0]=4 476 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,1,0,0,0,0|2,0,1]=4 477 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,1,0,0,0,0|3,0,0]=4 478 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,1,0,0,0,0|3,0,0]=4 479 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,1,0,0,0,0|2,0,0]=3 480 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,1,0,0,0,0|2,0,1]=4 481 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,1,0,0,0,0|2,0,1]=4 482 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,1,0,0,0,0|2,0,1]=4 483 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,1,0,0,0,0|2,0,1]=4 484 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,1,0,0,0,0|2,0,0]=3 485 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,1,0,0,0,0|2,0,0]=3 486 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,1,0,0,0,0|2,0,0]=3 487 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,1,0,0,0,0|2,0,0]=3 488 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,1,0,0,0,0|2,0,0]=3 489 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,1,0,0,0,0|2,0,0]=3 490 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,1,0,0,0,0|3,0,0]=4 491 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,1,0,0,0,0|3,0,0]=4 492 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,1,0,0,0,0|3,0,0]=4 493 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,1,0,0,0,0|2,0,0]=3 494 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,1,0,0,0,0|1,0,0]=2 495 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,1,0,0,0,0|2,0,1]=4 496 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,1,0,0,0,0|3,0,0]=4 497 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,1,0,0,0,0|2,0,0]=3 498 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,1,0,0,0,0|2,0,0]=3 499 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,1,0,0,0,0|2,0,0]=3 500 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,1,0,0,0,0|2,0,0]=3 501 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,1,0,0,0,0|2,0,0]=3 502 B8R0.3 COCC(N)C(=O)NN 34a_100016989258_200000210301 [0,1,0,0,0,0|2,0,0]=3 503 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,1,0,0,0,0|1,0,0]=2 504 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,1,0,0,0,0|3,0,0]=4 505 B8R0.3 [13CH3]OCC(N)C(=O)NN 34a_100016989258_200025704644 [0,1,0,0,0,0|2,0,0]=3 506 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,1,0,0,0,0|1,0,2]=4 507 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,1,0,0,0,0|3,0,0]=4 508 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,1,0,0,0,0|1,0,2]=4 509 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,1,0,0,0,0|3,0,0]=4 510 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,1,0,0,0,0|3,0,0]=4 511 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,1,0,0,0,0|3,0,0]=4 512 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,1,0,0,0,0|3,0,0]=4 513 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,1,0,0,0,0|3,0,0]=4 514 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,1,0,0,0,0|3,0,0]=4 515 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,1,0,0,0,0|3,0,0]=4 516 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,1,0,0,0,0|3,0,0]=4 517 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,1,0,0,0,0|3,0,0]=4 518 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,1,0,0,0,0|3,0,0]=4 519 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,1,0,0,0,0|3,0,0]=4 520 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [0,1,0,0,0,0|2,0,1]=4 521 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,1,0,0,0,0|2,0,0]=3 522 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,1,0,0,0,0|3,0,0]=4 523 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,1,0,0,0,0|3,0,0]=4 524 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,1,0,0,0,0|3,0,0]=4 525 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,1,0,0,0,0|3,0,0]=4 526 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,1,0,0,0,0|3,0,0]=4 527 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,1,0,0,0,0|3,0,0]=4 528 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,1,0,0,0,0|3,0,0]=4 529 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,1,0,0,0,0|3,0,0]=4 530 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,1,0,0,0,0|3,0,0]=4 531 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,1,0,0,0,0|2,0,1]=4 532 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,1,0,0,0,0|2,0,1]=4 533 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,1,0,0,0,0|2,0,0]=3 534 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,1,0,0,0,0|2,0,0]=3 535 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,1,0,0,0,0|2,0,0]=3 536 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,1,0,0,0,0|2,0,0]=3 537 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,1,0,0,0,0|2,0,0]=3 538 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,1,0,0,0,0|3,0,0]=4 539 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,1,0,0,0,0|3,0,0]=4 540 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,1,0,0,0,0|3,0,0]=4 541 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,1,0,0,0,0|3,0,0]=4 542 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,0,0,0,0|2,0,1]=4 543 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,1,0,0,0,0|2,0,1]=4 544 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,0,0,0,0|2,0,1]=4 545 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,1,0,0,0,0|1,0,0]=2 546 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,1,0,0,0,0|2,0,0]=3 547 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,1,0,0,0,0|2,0,0]=3 548 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,1,0,0,0,0|2,0,0]=3 549 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,1,0,0,0,0|2,0,0]=3 550 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,1,0,0,0,0|2,0,0]=3 551 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,1,0,0,0,0|1,0,1]=3 552 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,1,0,0,0,0|1,0,1]=3 553 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,1,0,0,0,0|2,0,0]=3 554 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,1,0,0,0,0|2,0,0]=3 555 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,1,0,0,0,0|2,0,0]=3 556 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,1,0,0,0,0|2,0,0]=3 557 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,1,0,0,0,0|2,0,0]=3 558 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,1,0,0,0,0|2,0,0]=3 559 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,1,0,0,0,0|2,0,0]=3 560 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,1,0,0,0,0|2,0,0]=3 561 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,1,0,0,0,0|1,0,1]=3 562 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,1,0,0,0,0|1,0,1]=3 563 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,1,0,0,0,0|1,0,0]=2 564 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,1,0,0,0,0|1,0,0]=2 565 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,1,0,0,0,0|2,0,1]=4 566 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,1,0,0,0,0|2,0,0]=3 567 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,1,0,0,0,0|2,0,0]=3 568 B8R0.8 CCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210202 [0,1,0,0,0,0|2,0,1]=4 569 B8R0.8 CCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210202 [0,1,0,0,0,0|2,0,1]=4 570 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,1,0,0,0,0|1,0,0]=2 571 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,1,0,0,0,0|2,0,1]=4 572 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,1,0,0,0,0|2,0,1]=4 573 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,1,0,0,0,0|2,0,1]=4 574 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [0,1,0,0,0,0|2,0,1]=4 575 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,1,0,0,0,0|3,0,0]=4 576 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,1,0,0,0,0|3,0,0]=4 577 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,1,0,0,0,0|3,0,0]=4 578 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,1,0,0,0,0|3,0,0]=4 579 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,1,0,0,0,0|2,0,0]=3 580 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [0,1,0,0,0,0|3,0,0]=4 581 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,1,0,0,0,0|3,0,0]=4 582 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,1,0,0,0,0|3,0,0]=4 583 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [0,1,0,0,0,0|3,0,0]=4 584 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [0,1,0,0,0,0|3,0,0]=4 585 B8R0.8 COCSC(F)C(=O)N 62a_100000766300_100009813875 [0,1,0,0,0,0|3,0,0]=4 586 B8R0.8 COCSC(F)C(=O)N 62a_100009813875_100000766300 [0,1,0,0,0,0|3,0,0]=4 587 B8R0.8 COCSC(F)C(=O)[O-] 62a_100000766300_100020610796 [0,1,0,0,0,0|2,0,1]=4 588 B8R0.8 COCSC(F)C(=O)[O-] 62a_100020610796_100000766300 [0,1,0,0,0,0|2,0,1]=4 589 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,1,0,0,0,0|2,0,0]=3 590 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,1,0,0,0,0|2,0,0]=3 591 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,1,0,0,0,0|3,0,0]=4 592 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,1,0,0,0,0|3,0,0]=4 593 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,1,0,0,0,0|3,0,0]=4 594 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,1,0,0,0,0|3,0,0]=4 595 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,1,0,0,0,0|2,0,0]=3 596 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,1,0,0,0,0|3,0,0]=4 597 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,1,0,0,0,0|3,0,0]=4 598 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,1,0,0,0,0|3,0,0]=4 599 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,1,0,0,0,0|3,0,0]=4 600 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,1,0,0,0,0|3,0,0]=4 601 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,1,0,0,0,0|3,0,0]=4 602 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,1,0,0,0,0|3,0,0]=4 603 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,1,0,0,0,0|3,0,0]=4 604 B8R0.8 CSCSC(F)C(=O)N 62a_100009813875_100011218213 [0,1,0,0,0,0|3,0,0]=4 605 B8R0.8 CSCSC(F)C(=O)N 62a_100011218213_100009813875 [0,1,0,0,0,0|3,0,0]=4 606 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100011218213_100020610796 [0,1,0,0,0,0|2,0,1]=4 607 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100020610796_100011218213 [0,1,0,0,0,0|2,0,1]=4 608 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,1,0,0,0,0|3,0,0]=4 609 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,1,0,0,0,0|3,0,0]=4 610 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,1,0,0,0,0|3,0,0]=4 611 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,1,0,0,0,0|3,0,0]=4 612 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,1,0,0,0,0|3,0,0]=4 613 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,1,0,0,0,0|3,0,0]=4 614 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,1,0,0,0,0|3,0,0]=4 615 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,1,0,0,0,0|3,0,0]=4 616 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,1,0,0,0,0|2,0,1]=4 617 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,1,0,0,0,0|2,0,1]=4 618 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,1,0,0,0,0|2,0,0]=3 619 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,1,0,0,0,0|2,0,0]=3 620 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,1,0,0,0,0|2,0,1]=4 621 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,1,0,0,0,0|2,0,1]=4 622 B8R0.8 NC(=O)C(F)NCCF 34a_100000724931_100009813875 [0,1,0,0,0,0|3,0,0]=4 623 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [0,1,0,0,0,0|3,0,0]=4 624 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [0,1,0,0,0,0|3,0,0]=4 625 B8R0.8 NC(=O)C(F)OCCBr 34a_100000211926_100009813875 [0,1,0,0,0,0|3,0,0]=4 626 B8R0.8 NC(=O)C(F)SCCF 62a_100009813875_100011217306 [0,1,0,0,0,0|3,0,0]=4 627 B8R0.8 NC(=O)C(F)SCCF 62a_100011217306_100009813875 [0,1,0,0,0,0|3,0,0]=4 628 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [0,1,0,0,0,0|3,0,0]=4 629 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [0,1,0,0,0,0|3,0,0]=4 630 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [0,1,0,0,0,0|2,0,0]=3 631 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,1,0,0,0,0|3,0,0]=4 632 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,1,0,0,0,0|2,0,1]=4 633 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,1,0,0,0,0|2,0,0]=3 634 B8R0.8 O=C([O-])C(F)NCCF 34a_100000724931_100020610796 [0,1,0,0,0,0|2,0,1]=4 635 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [0,1,0,0,0,0|2,0,1]=4 636 B8R0.8 O=C([O-])C(F)OCCBr 34a_100000211926_100020610796 [0,1,0,0,0,0|2,0,1]=4 637 B8R0.8 O=C([O-])C(F)SCCF 62a_100011217306_100020610796 [0,1,0,0,0,0|2,0,1]=4 638 B8R0.8 O=C([O-])C(F)SCCF 62a_100020610796_100011217306 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [0,1,0,0,0,0|2,0,1]=4 640 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [0,1,0,0,0,0|2,0,1]=4 641 B8R0.12 CC(C)(CN[13CH3])C(=O)N 2230a_100000740840_200025704644 [0,1,0,0,0,0|3,0,0]=4 642 B8R0.12 CC(C)(CN[13CH3])C(=O)N 34a_100000740840_200025704644 [0,1,0,0,0,0|3,0,0]=4 643 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,1,0,0,0,0|2,0,0]=3 644 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200009895572_200025704644 [0,1,0,0,0,0|3,0,0]=4 645 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200025704644_200009895572 [0,1,0,0,0,0|3,0,0]=4 646 B8R0.12 CC(C)(ON[13CH3])C(=O)O 269956a_100016989451_200025704644 [0,1,0,0,0,0|3,0,0]=4 647 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,1,0,0,0,0|2,0,0]=3 648 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,1,0,0,0,0|2,0,0]=3 649 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [0,1,0,0,0,0|3,0,0]=4 650 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [0,1,0,0,0,0|3,0,0]=4 651 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [0,1,0,0,0,0|3,0,0]=4 652 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,1,0,0,0,0|3,0,0]=4 653 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,1,0,0,0,0|3,0,0]=4 654 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,1,0,0,0,0|3,0,0]=4 655 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,1,0,0,0,0|3,0,0]=4 656 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,1,0,0,0,0|3,0,0]=4 657 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,1,0,0,0,0|3,0,0]=4 658 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,1,0,0,0,0|3,0,0]=4 659 B8R0.12 CCOC(F)(F)C(=O)[O-] 34a_100121572206_100020612412 [0,1,0,0,0,0|2,0,1]=4 660 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,1,0,0,0,0|3,0,0]=4 661 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,1,0,0,0,0|3,0,0]=4 662 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000210202_100000702505 [0,1,0,0,0,0|3,0,0]=4 663 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000702505_100000210202 [0,1,0,0,0,0|3,0,0]=4 664 B8R0.12 CCSC(F)(F)C(=O)N 62a_100000210202_100009811971 [0,1,0,0,0,0|3,0,0]=4 665 B8R0.12 CCSC(F)(F)C(=O)N 62a_100009811971_100000210202 [0,1,0,0,0,0|3,0,0]=4 666 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000210202_100000745680 [0,1,0,0,0,0|2,0,1]=4 667 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210202 [0,1,0,0,0,0|2,0,1]=4 668 B8R0.12 CNCC(C)(C)C(=O)N 2230a_100000740840_200000210301 [0,1,0,0,0,0|3,0,0]=4 669 B8R0.12 CNCC(C)(C)C(=O)N 34a_100000740840_200000210301 [0,1,0,0,0,0|3,0,0]=4 670 B8R0.12 CNCC(C)(C)C(=O)N 34a_100102657272_200009895572 [0,1,0,0,0,0|3,0,0]=4 671 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,1,0,0,0,0|2,0,0]=3 672 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,1,0,0,0,0|2,0,0]=3 673 B8R0.12 CNOC(C)(C)C(=O)O 269956a_100016989451_200000210301 [0,1,0,0,0,0|3,0,0]=4 674 B8R0.12 COCC(C)(C)C(=O)N 34a_100138415774_200009895572 [0,1,0,0,0,0|3,0,0]=4 675 B8R0.12 CSCC(C)(C)C(=O)N 62a_200000210301_200009895572 [0,1,0,0,0,0|3,0,0]=4 676 B8R0.12 CSCC(C)(C)C(=O)N 62a_200009895572_200000210301 [0,1,0,0,0,0|3,0,0]=4 677 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,1,0,0,0,0|2,0,0]=3 678 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,1,0,0,0,0|2,0,0]=3 679 B8R0.15 C=C[C@H](NCF)C(=O)O 269956a_100016992060_100015361967 [0,1,0,0,0,0|3,0,0]=4 680 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,1,0,0,0,0|2,0,0]=3 681 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,1,0,0,0,0|2,0,0]=3 682 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,1,0,0,0,0|2,0,0]=3 683 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,1,0,0,0,0|2,0,0]=3 684 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,1,0,0,0,0|2,0,0]=3 685 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,1,0,0,0,0|2,0,0]=3 686 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,1,0,0,0,0|2,0,0]=3 687 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,1,0,0,0,0|3,0,0]=4 688 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,1,0,0,0,0|3,0,0]=4 689 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,1,0,0,0,0|3,0,0]=4 690 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,1,0,0,0,0|3,0,0]=4 691 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,1,0,0,0,0|1,0,0]=2 692 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,1,0,0,0,0|1,0,0]=2 693 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,1,0,0,0,0|0,0,0]=1 694 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,1,0,0,0,0|1,0,0]=2 695 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,1,0,0,0,0|1,0,0]=2 696 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,1,0,0,0,0|0,0,0]=1 697 B8R0.15 CCNC(C#N)C(=O)N 2230a_100000039599_100000210202 [0,1,0,0,0,0|2,0,1]=4 698 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,1,0,0,0,0|3,0,0]=4 699 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,1,0,0,0,0|3,0,0]=4 700 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,1,0,0,0,0|3,0,0]=4 701 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,1,0,0,0,0|2,0,0]=3 702 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [0,1,0,0,0,0|3,0,0]=4 703 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [0,1,0,0,0,0|3,0,0]=4 704 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,1,0,0,0,0|2,0,0]=3 705 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,1,0,0,0,0|3,0,0]=4 706 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,1,0,0,0,0|3,0,0]=4 707 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,1,0,0,0,0|3,0,0]=4 708 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,1,0,0,0,0|3,0,0]=4 709 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,1,0,0,0,0|1,0,0]=2 710 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,1,0,0,0,0|1,0,0]=2 711 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,1,0,0,0,0|1,0,0]=2 712 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,1,0,0,0,0|1,0,0]=2 713 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,1,0,0,0,0|1,0,0]=2 714 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,1,0,0,0,0|1,0,0]=2 715 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,1,0,0,0,0|3,0,0]=4 716 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,0,0,0,0|2,0,0]=3 717 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,1,0,0,0,0|3,0,0]=4 718 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,0,0,0,0|3,0,0]=4 719 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,0,0,0,0|3,0,0]=4 720 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,0,0,0,0|3,0,0]=4 721 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,0,0,0,0|3,0,0]=4 722 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,1,0,0,0,0|3,0,0]=4 723 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,1,0,0,0,0|3,0,0]=4 724 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,1,0,0,0,0|3,0,0]=4 725 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,1,0,0,0,0|3,0,0]=4 726 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,1,0,0,0,0|3,0,0]=4 727 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,1,0,0,0,0|3,0,0]=4 728 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,0,0,0,0|2,0,0]=3 729 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,0,0,0,0|2,0,0]=3 730 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,1,0,0,0,0|3,0,0]=4 731 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,1,0,0,0,0|3,0,0]=4 732 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,1,0,0,0,0|3,0,0]=4 733 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,1,0,0,0,0|3,0,0]=4 734 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,1,0,0,0,0|2,0,1]=4 735 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,0,0,0,0|2,0,0]=3 736 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,1,0,0,0,0|3,0,0]=4 737 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,1,0,0,0,0|3,0,0]=4 738 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,1,0,0,0,0|3,0,0]=4 739 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,1,0,0,0,0|3,0,0]=4 740 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,1,0,0,0,0|2,0,1]=4 741 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,1,0,0,0,0|2,0,1]=4 742 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,1,0,0,0,0|3,0,0]=4 743 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,1,0,0,0,0|3,0,0]=4 744 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,1,0,0,0,0|3,0,0]=4 745 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,1,0,0,0,0|3,0,0]=4 746 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,1,0,0,0,0|3,0,0]=4 747 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,1,0,0,0,0|3,0,0]=4 748 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,1,0,0,0,0|2,0,1]=4 750 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,1,0,0,0,0|3,0,0]=4 751 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,1,0,0|2,0,1]=4 752 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,1,0,0|2,0,0]=3 753 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,1,0,0|2,0,0]=3 754 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,1,0,0|2,0,0]=3 755 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,0,0,1,0,0|3,0,0]=4 756 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,0,0,1,0,0|3,0,0]=4 757 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,0,1,0,0|3,0,0]=4 758 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,0,1,0,0|3,0,0]=4 759 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,1,0,0|2,0,0]=3 760 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,1,0,0|2,0,1]=4 761 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,1,0,0|2,0,0]=3 762 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,1,0,0|2,0,0]=3 763 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,0,0,1,0,0|3,0,0]=4 764 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,1,0,0|2,0,0]=3 765 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,0,0,1,0,0|3,0,0]=4 766 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,0,0,1,0,0|3,0,0]=4 767 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,0,0,1,0,0|3,0,0]=4 768 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,1,0,0|2,0,0]=3 769 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,0,0,1,0,0|3,0,0]=4 770 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,0,0,1,0,0|3,0,0]=4 771 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,0,0,1,0,0|3,0,0]=4 772 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,0,0,1,0,0|3,0,0]=4 773 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,0,0,1,0,0|3,0,0]=4 774 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,0,0,1,0,0|2,0,1]=4 775 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,0,0,1,0,0|3,0,0]=4 776 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,1,0,0|2,0,0]=3 777 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,0,0,1,0,0|3,0,0]=4 778 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,0,0,1,0,0|3,0,0]=4 779 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,0,0,1,0,0|3,0,0]=4 780 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,0,0,1,0,0|2,0,1]=4 781 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,0,0,1,0,0|3,0,0]=4 782 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,0,0,1,0,0|3,0,0]=4 783 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,0,1,0,0|2,0,0]=3 784 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,0,1,0,0|2,0,0]=3 785 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [0,0,0,1,0,0|3,0,0]=4 786 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [0,0,0,1,0,0|3,0,0]=4 787 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [0,0,0,1,0,0|3,0,0]=4 788 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [0,0,0,1,0,0|3,0,0]=4 789 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,0,0,1,0,0|2,0,0]=3 790 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,0,0,1,0,0|2,0,0]=3 791 B8R1.78 CC(=O)C1(COC1)C 1458a_100000094709_200000210301 [0,0,0,1,0,0|3,0,0]=4 792 B8R1.78 CC(=O)C1(COC1)O 1458a_100010273515_200000210301 [0,0,0,1,0,0|3,0,0]=4 793 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,0,0,1,0,0|2,0,0]=3 794 B8R1.78 CC1(COC1)C(=O)[13CH3] 1458a_100000094709_200025704644 [0,0,0,1,0,0|3,0,0]=4 795 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,0,0,1,0,0|2,0,0]=3 796 B8R1.78 [13CH3]C(=O)C1(COC1)O 1458a_100010273515_200025704644 [0,0,0,1,0,0|3,0,0]=4 797 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,0,0,0,0,1|2,0,1]=4 798 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,0,0,0,0,1|2,0,1]=4 799 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,0,0,0,0,1|3,0,0]=4 800 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,0,0,0,0,1|3,0,0]=4 801 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,0,0,0,0,1|2,0,1]=4 802 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,0,0,0,0,1|2,0,1]=4 803 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,0,0,0,1|2,0,1]=4 804 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,0,0,0,0,1|2,0,1]=4 805 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,0,0,0,0,1|2,0,1]=4 806 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,0,0,0,0,1|1,0,2]=4 807 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,0,0,0,0,1|2,0,0]=3 808 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,0,0,0,0,1|2,0,0]=3 809 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,0,0,0,0,1|2,0,0]=3 810 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,0,0,0,0,1|2,0,0]=3 811 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,0,0,0,0,1|2,0,0]=3 812 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,0,0,0,0,1|2,0,0]=3 813 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,0,0,0,0,1|2,0,0]=3 814 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,0,0,0,0,1|3,0,0]=4 815 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,0,0,0,0,1|3,0,0]=4 816 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,0,0,0,0,1|3,0,0]=4 817 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,0,0,0,0,1|2,0,0]=3 818 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,0,0,0,0,1|2,0,1]=4 819 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,0,0,0,0,1|3,0,0]=4 820 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,0,0,0,0,1|3,0,0]=4 821 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,0,0,0,0,1|3,0,0]=4 822 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,0,0,0,0,1|3,0,0]=4 823 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,0,0,0,0,1|3,0,0]=4 824 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,0,0,0,0,1|3,0,0]=4 825 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,0,0,0,0,1|3,0,0]=4 826 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,0,0,0,0,1|3,0,0]=4 827 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,0,0,0,0,1|3,0,0]=4 828 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,0,0,0,0,1|2,0,0]=3 829 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,0,0,0,0,1|3,0,0]=4 830 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,0,0,0,0,1|3,0,0]=4 831 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,0,0,0,0,1|3,0,0]=4 832 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,0,0,0,0,1|3,0,0]=4 833 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,0,0,0,0,1|3,0,0]=4 834 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,0,0,0,0,1|3,0,0]=4 835 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,0,0,0,0,1|3,0,0]=4 836 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,0,0,0,0,1|2,0,0]=3 837 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|2,0,0]=4 838 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|2,0,0]=4 839 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|2,0,0]=4 840 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|2,0,0]=4 841 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [2,0,0,0,0,0|2,0,0]=4 842 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [2,0,0,0,0,0|2,0,0]=4 843 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [2,0,0,0,0,0|2,0,0]=4 844 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [2,0,0,0,0,0|2,0,0]=4 845 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,0]=3 846 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,0]=3 847 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,0]=3 848 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 849 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 850 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|2,0,0]=4 851 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|1,0,1]=4 852 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|1,0,1]=4 853 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|1,0,1]=4 854 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|1,0,1]=4 855 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 856 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 857 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [2,0,0,0,0,0|2,0,0]=4 858 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [2,0,0,0,0,0|2,0,0]=4 859 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [2,0,0,0,0,0|2,0,0]=4 860 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [2,0,0,0,0,0|2,0,0]=4 861 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [2,0,0,0,0,0|2,0,0]=4 862 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [2,0,0,0,0,0|2,0,0]=4 863 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [2,0,0,0,0,0|2,0,0]=4 864 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [2,0,0,0,0,0|2,0,0]=4 865 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|2,0,0]=4 866 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|2,0,0]=4 867 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|1,0,1]=4 868 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|2,0,0]=4 869 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 870 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [2,0,0,0,0,0|2,0,0]=4 871 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [2,0,0,0,0,0|1,0,1]=4 872 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [2,0,0,0,0,0|2,0,0]=4 873 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|2,0,0]=4 874 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|1,0,1]=4 875 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|1,0,1]=4 876 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|2,0,0]=4 877 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 878 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 879 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [2,0,0,0,0,0|2,0,0]=4 880 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [2,0,0,0,0,0|2,0,0]=4 881 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [2,0,0,0,0,0|2,0,0]=4 882 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [2,0,0,0,0,0|2,0,0]=4 883 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [2,0,0,0,0,0|1,0,1]=4 884 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [2,0,0,0,0,0|2,0,0]=4 885 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [2,0,0,0,0,0|2,0,0]=4 886 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|2,0,0]=4 887 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|1,0,1]=4 888 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 889 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|1,0,1]=4 890 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|1,0,1]=4 891 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 892 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 893 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|2,0,0]=4 894 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|2,0,0]=4 895 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|2,0,0]=4 896 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|2,0,0]=4 897 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|2,0,0]=4 898 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|2,0,0]=4 899 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|2,0,0]=4 900 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|2,0,0]=4 901 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|2,0,0]=4 902 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|2,0,0]=4 903 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|2,0,0]=4 904 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|2,0,0]=4 905 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|2,0,0]=4 906 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|2,0,0]=4 907 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|2,0,0]=4 908 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|2,0,0]=4 909 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|2,0,0]=4 910 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|2,0,0]=4 911 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|2,0,0]=4 912 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|2,0,0]=4 913 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|2,0,0]=4 914 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|2,0,0]=4 915 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|2,0,0]=4 916 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|2,0,0]=4 917 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|2,0,0]=4 918 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|2,0,0]=4 919 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|2,0,0]=4 920 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|2,0,0]=4 921 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|2,0,0]=4 922 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|2,0,0]=4 923 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|2,0,0]=4 924 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|2,0,0]=4 925 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|2,0,0]=4 926 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|2,0,0]=4 927 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,0]=3 928 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|1,0,1]=4 929 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|1,0,1]=4 930 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|1,0,1]=4 931 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,0]=3 932 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,0,1]=4 933 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,0]=3 934 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,0]=3 935 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,0,1]=4 936 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,0,1]=4 937 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|1,0,1]=4 938 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|1,0,1]=4 939 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|1,0,1]=4 940 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|1,0,1]=4 941 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|1,0,1]=4 942 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|1,0,1]=4 943 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [2,0,0,0,0,0|2,0,0]=4 944 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [2,0,0,0,0,0|2,0,0]=4 945 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|1,0,1]=4 946 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|1,0,1]=4 947 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [2,0,0,0,0,0|2,0,0]=4 948 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [2,0,0,0,0,0|2,0,0]=4 949 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [2,0,0,0,0,0|2,0,0]=4 950 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [2,0,0,0,0,0|2,0,0]=4 951 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [2,0,0,0,0,0|2,0,0]=4 952 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [2,0,0,0,0,0|2,0,0]=4 953 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [2,0,0,0,0,0|2,0,0]=4 954 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [2,0,0,0,0,0|2,0,0]=4 955 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [2,0,0,0,0,0|2,0,0]=4 956 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,1,0,0,0,0|2,0,0]=4 957 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,1,0,0,0,0|2,0,0]=4 958 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,1,0,0,0,0|2,0,0]=4 959 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,1,0,0,0,0|2,0,0]=4 960 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [1,1,0,0,0,0|2,0,0]=4 961 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [1,1,0,0,0,0|2,0,0]=4 962 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [1,1,0,0,0,0|2,0,0]=4 963 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [1,1,0,0,0,0|2,0,0]=4 964 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [1,1,0,0,0,0|1,0,0]=3 965 B7R0.3 C=C[C@H](N)COCF 34a_100016989147_100015361967 [1,1,0,0,0,0|2,0,0]=4 966 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [1,1,0,0,0,0|1,0,1]=4 967 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|1,0,1]=4 968 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,1,0,0,0,0|1,0,1]=4 969 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,1,0,0,0,0|1,0,1]=4 970 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,1,0,0,0,0|1,0,1]=4 971 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,1,0,0,0,0|1,0,1]=4 972 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,1,0,0,0,0|1,0,1]=4 973 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,1,0,0,0,0|1,0,1]=4 974 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [1,1,0,0,0,0|1,0,1]=4 975 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,1,0,0,0,0|1,0,1]=4 976 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [1,1,0,0,0,0|1,0,1]=4 977 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [1,1,0,0,0,0|1,0,1]=4 978 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [1,1,0,0,0,0|1,0,1]=4 979 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [1,1,0,0,0,0|1,0,1]=4 980 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,1,0,0,0,0|1,0,1]=4 981 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [1,1,0,0,0,0|1,0,1]=4 982 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [1,1,0,0,0,0|1,0,1]=4 983 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [1,1,0,0,0,0|1,0,1]=4 984 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,1,0,0,0,0|1,0,1]=4 985 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,1,0,0,0,0|1,0,1]=4 986 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [1,1,0,0,0,0|1,0,1]=4 987 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [1,1,0,0,0,0|1,0,1]=4 988 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [1,1,0,0,0,0|1,0,1]=4 989 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [1,1,0,0,0,0|1,0,1]=4 990 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [1,1,0,0,0,0|1,0,1]=4 991 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [1,1,0,0,0,0|1,0,1]=4 992 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [1,1,0,0,0,0|2,0,0]=4 993 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [1,1,0,0,0,0|2,0,0]=4 994 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [1,1,0,0,0,0|1,0,1]=4 995 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [1,1,0,0,0,0|1,0,1]=4 996 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [1,1,0,0,0,0|1,0,1]=4 997 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [1,1,0,0,0,0|1,0,1]=4 998 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [1,1,0,0,0,0|1,0,1]=4 999 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [1,1,0,0,0,0|2,0,0]=4 1000 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [1,1,0,0,0,0|2,0,0]=4 1001 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [1,1,0,0,0,0|0,0,1]=3 1002 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|0,0,1]=3 1003 B7R0.7 COCC(N)COC 34a_100000724102_200000210301 [1,1,0,0,0,0|1,0,1]=4 1004 B7R0.7 COCC(N)CO[13CH3] 34a_100000724102_200025704644 [1,1,0,0,0,0|1,0,1]=4 1005 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [1,1,0,0,0,0|2,0,0]=4 1006 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [1,1,0,0,0,0|2,0,0]=4 1007 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [1,1,0,0,0,0|2,0,0]=4 1008 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [1,1,0,0,0,0|2,0,0]=4 1009 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [1,1,0,0,0,0|1,0,1]=4 1010 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [1,1,0,0,0,0|1,0,1]=4 1011 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [1,1,0,0,0,0|1,0,1]=4 1012 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [1,1,0,0,0,0|1,0,1]=4 1013 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [1,1,0,0,0,0|0,0,1]=3 1014 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [1,1,0,0,0,0|0,0,1]=3 1015 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [1,1,0,0,0,0|0,0,1]=3 1016 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|0,0,1]=3 1017 B7R0.12 CCNC(C=O)C=O 2230a_100015525214_100000736813 [1,1,0,0,0,0|2,0,0]=4 1018 B7R0.12 CCOC(C=O)C=O 34a_100121572206_100000736813 [1,1,0,0,0,0|2,0,0]=4 1019 B7R0.12 CCSC(C=O)C=O 62a_100000210202_100000736813 [1,1,0,0,0,0|2,0,0]=4 1020 B7R0.12 CCSC(C=O)C=O 62a_100000736813_100000210202 [1,1,0,0,0,0|2,0,0]=4 1021 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [1,1,0,0,0,0|1,0,1]=4 1022 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [1,1,0,0,0,0|1,0,1]=4 1023 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [1,1,0,0,0,0|1,0,1]=4 1024 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [1,1,0,0,0,0|1,0,1]=4 1025 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [1,1,0,0,0,0|2,0,0]=4 1026 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [1,1,0,0,0,0|2,0,0]=4 1027 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [1,1,0,0,0,0|2,0,0]=4 1028 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [1,1,0,0,0,0|2,0,0]=4 1029 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [1,1,0,0,0,0|2,0,0]=4 1030 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [1,1,0,0,0,0|2,0,0]=4 1031 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [1,1,0,0,0,0|0,0,2]=4 1032 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [1,1,0,0,0,0|0,0,2]=4 1033 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,1,0,0,0,0|2,0,0]=4 1034 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,1,0,0,0,0|2,0,0]=4 1035 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,1,0,0,0,0|2,0,0]=4 1036 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [1,1,0,0,0,0|1,0,0]=3 1037 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [1,1,0,0,0,0|1,0,0]=3 1038 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [1,1,0,0,0,0|1,0,0]=3 1039 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [1,1,0,0,0,0|1,0,0]=3 1040 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [1,1,0,0,0,0|1,0,0]=3 1041 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [1,1,0,0,0,0|1,0,0]=3 1042 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [1,1,0,0,0,0|1,0,0]=3 1043 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,1,0,0,0,0|2,0,0]=4 1044 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [1,1,0,0,0,0|2,0,0]=4 1045 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,1,0,0,0,0|2,0,0]=4 1046 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [1,1,0,0,0,0|2,0,0]=4 1047 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [1,1,0,0,0,0|2,0,0]=4 1048 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [1,1,0,0,0,0|2,0,0]=4 1049 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [1,1,0,0,0,0|2,0,0]=4 1050 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,1,0,0,0,0|0,0,0]=2 1051 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,1,0,0,0,0|0,0,0]=2 1052 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [1,1,0,0,0,0|1,0,1]=4 1053 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [1,1,0,0,0,0|1,0,1]=4 1054 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [1,1,0,0,0,0|1,0,1]=4 1055 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [1,1,0,0,0,0|1,0,1]=4 1056 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [1,1,0,0,0,0|1,0,0]=3 1057 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [1,1,0,0,0,0|2,0,0]=4 1058 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [1,1,0,0,0,0|2,0,0]=4 1059 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [1,1,0,0,0,0|1,0,0]=3 1060 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [1,1,0,0,0,0|2,0,0]=4 1061 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [1,1,0,0,0,0|2,0,0]=4 1062 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,1,0,0,0,0|2,0,0]=4 1063 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,1,0,0,0,0|2,0,0]=4 1064 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,1,0,0,0,0|2,0,0]=4 1065 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,1,0,0,0,0|2,0,0]=4 1066 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,1,0,0,0,0|2,0,0]=4 1067 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,1,0,0,0,0|2,0,0]=4 1068 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,1,0,0,0,0|1,0,1]=4 1069 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,1,0,0,0,0|1,0,1]=4 1070 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,1,0,0,0,0|1,0,1]=4 1071 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,1,0,0,0,0|0,0,2]=4 1072 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,1,0,0,0,0|2,0,0]=4 1073 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,1,0,0,0,0|2,0,0]=4 1074 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,1,0,0,0,0|2,0,0]=4 1075 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,1,0,0,0,0|2,0,0]=4 1076 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,1,0,0,0,0|2,0,0]=4 1077 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,1,0,0,0,0|2,0,0]=4 1078 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,1,0,0,0,0|2,0,0]=4 1079 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,1,0,0,0,0|2,0,0]=4 1080 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,1,0,0,0,0|2,0,0]=4 1081 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,1,0,0,0,0|2,0,0]=4 1082 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,1,0,0,0,0|2,0,0]=4 1083 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,1,0,0,0,0|2,0,0]=4 1084 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,1,0,0,0,0|2,0,0]=4 1085 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,1,0,0,0,0|2,0,0]=4 1086 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|1,0,1]=4 1087 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|1,0,1]=4 1088 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|1,0,1]=4 1089 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,1,0,0,0,0|0,0,2]=4 1090 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,1,0,0,0,0|1,0,1]=4 1091 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,1,0,0,0,0|1,0,1]=4 1092 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,1,0,0,0,0|1,0,0]=3 1093 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,1,0,0,0,0|1,0,0]=3 1094 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,1,0,0,0,0|1,0,0]=3 1095 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,1,0,0,0,0|1,0,0]=3 1096 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,1,0,0,0,0|1,0,0]=3 1097 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|1,0,0]=3 1098 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|1,0,0]=3 1099 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,1,0,0,0,0|2,0,0]=4 1100 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,1,0,0,0,0|2,0,0]=4 1101 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,1,0,0,0,0|2,0,0]=4 1102 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,1,0,0,0,0|2,0,0]=4 1103 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,1,0,0,0,0|2,0,0]=4 1104 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,1,0,0,0,0|2,0,0]=4 1105 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,1,0,0,0,0|2,0,0]=4 1106 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1107 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1108 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1109 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,1,0,0,0,0|2,0,0]=4 1110 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,1,0,0,0,0|2,0,0]=4 1111 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,1,0,0,0,0|2,0,0]=4 1112 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,1,0,0,0,0|2,0,0]=4 1113 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,1,0,0,0,0|2,0,0]=4 1114 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,1,0,0,0,0|2,0,0]=4 1115 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,1,0,0,0,0|2,0,0]=4 1116 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,1,0,0,0,0|2,0,0]=4 1117 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,1,0,0,0,0|2,0,0]=4 1118 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,1,0,0,0,0|1,0,1]=4 1119 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,1,0,0,0,0|1,0,1]=4 1120 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|1,0,1]=4 1121 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|1,0,1]=4 1122 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|1,0,1]=4 1123 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,1,0,0,0,0|1,0,1]=4 1124 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,1,0,0,0,0|1,0,1]=4 1125 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,1,0,0,0,0|1,0,1]=4 1126 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|1,0,1]=4 1127 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|1,0,1]=4 1128 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|1,0,0]=3 1129 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|1,0,0]=3 1130 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|1,0,0]=3 1131 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 1132 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 1133 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 1134 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,1,0,0,0,0|1,0,0]=3 1135 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,1,0,0,0,0|1,0,0]=3 1136 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|0,0,0]=2 1137 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,1,0,0,0,0|1,0,1]=4 1138 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,1,0,0,0,0|1,0,1]=4 1139 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,1,0,0,0,0|2,0,0]=4 1140 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|1,0,0]=3 1141 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|1,0,0]=3 1142 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,1,0,0,0,0|1,0,0]=3 1143 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|1,0,0]=3 1144 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,1,0,0,0,0|0,0,1]=3 1145 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,1,0,0,0,0|1,0,1]=4 1146 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,1,0,0,0,0|1,0,1]=4 1147 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,1,0,0,0,0|1,0,1]=4 1148 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|1,0,0]=3 1149 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,1,0,0,0,0|1,0,0]=3 1150 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,1,0,0,0,0|1,0,0]=3 1151 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|1,0,0]=3 1152 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,1,0,0,0,0|0,0,1]=3 1153 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,1,0,0,0,0|0,0,1]=3 1154 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,1,0,0,0,0|1,0,1]=4 1155 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,1,0,0,0,0|1,0,1]=4 1156 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,1,0,0,0,0|1,0,1]=4 1157 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,1,0,0,0,0|1,0,1]=4 1158 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,1,0,0,0,0|1,0,1]=4 1159 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,1,0,0,0,0|1,0,0]=3 1160 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,1,0,0,0,0|1,0,1]=4 1161 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,1,0,0,0,0|1,0,1]=4 1162 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,1,0,0,0,0|1,0,0]=3 1163 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|1,0,0]=3 1164 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|1,0,0]=3 1165 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|1,0,0]=3 1166 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|1,0,0]=3 1167 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,1,0,0,0,0|1,0,0]=3 1168 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,1,0,0,0,0|1,0,0]=3 1169 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,1,0,0,0,0|1,0,0]=3 1170 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|1,0,0]=3 1171 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|1,0,1]=4 1172 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,1,0,0,0,0|2,0,0]=4 1173 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|1,0,0]=3 1174 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|1,0,0]=3 1175 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|1,0,0]=3 1176 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|1,0,0]=3 1177 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,1,0,0,0,0|1,0,0]=3 1178 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,1,0,0,0,0|1,0,0]=3 1179 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|1,0,0]=3 1180 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,1,0,0,0,0|1,0,1]=4 1181 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,1,0,0,0,0|1,0,1]=4 1182 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,1,0,0,0,0|2,0,0]=4 1183 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,1,0,0,0,0|2,0,0]=4 1184 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,1,0,0,0,0|1,0,0]=3 1185 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,1,0,0,0,0|1,0,0]=3 1186 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,1,0,0,0,0|1,0,0]=3 1187 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,1,0,0,0,0|1,0,0]=3 1188 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,1,0,0,0,0|1,0,0]=3 1189 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,1,0,0,0,0|1,0,1]=4 1190 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,1,0,0,0,0|1,0,1]=4 1191 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,1,0,0,0,0|1,0,1]=4 1192 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,1,0,0,0,0|2,0,0]=4 1193 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,1,0,0,0,0|2,0,0]=4 1194 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,1,0,0,0,0|2,0,0]=4 1195 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,1,0,0,0,0|2,0,0]=4 1196 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 1197 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,1,0,0,0,0|2,0,0]=4 1198 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 1199 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,1,0,0,0,0|2,0,0]=4 1200 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,1,0,0,0,0|2,0,0]=4 1201 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,1,0,0,0,0|2,0,0]=4 1202 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,1,0,0,0,0|2,0,0]=4 1203 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,1,0,0,0,0|1,0,0]=3 1204 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,1,0,0,0,0|1,0,0]=3 1205 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,1,0,0,0,0|1,0,0]=3 1206 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,1,0,0,0,0|1,0,0]=3 1207 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,1,0,0,0,0|1,0,0]=3 1208 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,1,0,0,0,0|1,0,0]=3 1209 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,1,0,0,0,0|1,0,0]=3 1210 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,1,0,0,0,0|1,0,1]=4 1211 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,1,0,0,0,0|1,0,1]=4 1212 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,1,0,0,0,0|2,0,0]=4 1213 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,1,0,0,0,0|2,0,0]=4 1214 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,1,0,0,0,0|2,0,0]=4 1215 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,1,0,0,0,0|2,0,0]=4 1216 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,1,0,0,0,0|2,0,0]=4 1217 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,1,0,0,0,0|2,0,0]=4 1218 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,1,0,0,0,0|2,0,0]=4 1219 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,1,0,0,0,0|2,0,0]=4 1220 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,1,0,0,0,0|2,0,0]=4 1221 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,1,0,0,0,0|1,0,0]=3 1222 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,1,0,0,0,0|2,0,0]=4 1223 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,1,0,0,0,0|2,0,0]=4 1224 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,1,0,0,0,0|1,0,1]=4 1225 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,1,0,0,0,0|1,0,1]=4 1226 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,1,0,0,0,0|2,0,0]=4 1227 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|1,0,0]=3 1228 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|1,0,0]=3 1229 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|1,0,0]=3 1230 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,1,0,0,0,0|1,0,0]=3 1231 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,1,0,0,0,0|1,0,0]=3 1232 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|1,0,0]=3 1233 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,1,0,0,0,0|1,0,1]=4 1234 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,1,0,0,0,0|1,0,1]=4 1235 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 1236 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 1237 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 1238 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,1,0,0,0,0|2,0,0]=4 1239 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,1,0,0,0,0|2,0,0]=4 1240 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,1,0,0,0,0|2,0,0]=4 1241 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,1,0,0,0,0|2,0,0]=4 1242 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,1,0,0,0,0|2,0,0]=4 1243 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,1,0,0,0,0|2,0,0]=4 1244 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,1,0,0,0,0|2,0,0]=4 1245 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,1,0,0,0,0|2,0,0]=4 1246 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,1,0,0,0,0|2,0,0]=4 1247 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,1,0,0,0,0|2,0,0]=4 1248 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,1,0,0,0,0|1,0,0]=3 1249 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,1,0,0,0,0|2,0,0]=4 1250 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,1,0,0,0,0|2,0,0]=4 1251 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,1,0,0,0,0|2,0,0]=4 1252 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,1,0,0,0,0|1,0,1]=4 1253 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,1,0,0,0,0|1,0,1]=4 1254 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,1,0,0,0,0|1,0,1]=4 1255 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 1256 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 1257 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,1,0,0,0,0|2,0,0]=4 1258 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,1,0,0,0,0|2,0,0]=4 1259 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,1,0,0,0,0|2,0,0]=4 1260 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,1,0,0,0,0|2,0,0]=4 1261 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,1,0,0,0,0|2,0,0]=4 1262 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,1,0,0,0,0|2,0,0]=4 1263 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,1,0,0,0,0|2,0,0]=4 1264 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,1,0,0,0,0|2,0,0]=4 1265 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,1,0,0,0,0|2,0,0]=4 1266 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,1,0,0,0,0|2,0,0]=4 1267 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,1,0,0,0,0|2,0,0]=4 1268 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,1,0,0,0,0|2,0,0]=4 1269 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,1,0,0,0,0|2,0,0]=4 1270 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,1,0,0,0,0|1,0,1]=4 1271 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,1,0,0,0,0|1,0,0]=3 1272 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,1,0,0,0,0|1,0,0]=3 1273 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,1,0,0,0,0|2,0,0]=4 1274 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,1,0,0,0,0|1,0,1]=4 1275 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,1,0,0,0,0|1,0,1]=4 1276 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,1,0,0,0,0|1,0,1]=4 1277 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,1,0,0,0,0|1,0,1]=4 1278 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,1,0,0,0,0|1,0,1]=4 1279 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,1,0,0,0,0|1,0,1]=4 1280 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,1,0,0,0,0|1,0,1]=4 1281 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,1,0,0,0,0|1,0,1]=4 1282 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,1,0,0,0,0|1,0,1]=4 1283 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,1,0,0,0,0|1,0,0]=3 1284 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,1,0,0,0,0|2,0,0]=4 1285 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,1,0,0,0,0|1,0,0]=3 1286 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,1,0,0,0,0|2,0,0]=4 1287 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,1,0,0,0,0|1,0,1]=4 1288 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,1,0,0,0,0|2,0,0]=4 1289 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,1,0,0,0,0|2,0,0]=4 1290 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,1,0,0,0,0|1,0,0]=3 1291 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,1,0,0,0,0|1,0,0]=3 1292 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,1,0,0,0,0|2,0,0]=4 1293 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,1,0,0,0,0|2,0,0]=4 1294 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,1,0,0,0,0|2,0,0]=4 1295 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,1,0,0,0,0|2,0,0]=4 1296 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,1,0,0,0,0|1,0,1]=4 1297 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,1,0,0,0,0|1,0,1]=4 1298 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,1,0,0,0,0|1,0,1]=4 1299 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,1,0,0,0,0|1,0,1]=4 1300 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|1,0,0]=3 1301 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|1,0,0]=3 1302 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|1,0,0]=3 1303 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,1,0,0,0,0|2,0,0]=4 1304 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,1,0,0,0,0|2,0,0]=4 1305 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,1,0,0,0,0|2,0,0]=4 1306 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,1,0,0,0,0|2,0,0]=4 1307 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,1,0,0,0,0|2,0,0]=4 1308 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 1309 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 1310 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 1311 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,1,0,0,0,0|2,0,0]=4 1312 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 1313 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 1314 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,1,0,0,0,0|2,0,0]=4 1315 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|1,0,0]=3 1316 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,1,0,0,0,0|2,0,0]=4 1317 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,1,0,0,0,0|2,0,0]=4 1318 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,1,0,0,0,0|2,0,0]=4 1319 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,1,0,0,0,0|1,0,0]=3 1320 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,1,0,0,0,0|1,0,1]=4 1321 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,1,0,0,0,0|2,0,0]=4 1322 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,1,0,0,0,0|2,0,0]=4 1323 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,1,0,0,0,0|1,0,1]=4 1324 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,1,0,0,0,0|2,0,0]=4 1325 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,1,0,0,0,0|2,0,0]=4 1326 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,1,0,0,0,0|2,0,0]=4 1327 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,1,0,0,0,0|1,0,1]=4 1328 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,1,0,0,0,0|1,0,1]=4 1329 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,1,0,0,0,0|2,0,0]=4 1330 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 1331 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 1332 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,1,0,0,0,0|2,0,0]=4 1333 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,1,0,0,0,0|2,0,0]=4 1334 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,1,0,0,0,0|1,0,1]=4 1335 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,1,0,0,0,1|2,0,0]=4 1336 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,1,0,0,0,1|2,0,0]=4 1337 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,1,0,0,0,1|2,0,0]=4 1338 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,1,0,0,0,1|2,0,0]=4 1339 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,1,0,0,0,1|2,0,0]=4 1340 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,1,0,0,0,1|2,0,0]=4 1341 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,1,0,0,0,1|2,0,0]=4 1342 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,1,0,0,0,1|1,0,0]=3 1343 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [0,1,0,0,0,1|2,0,0]=4 1344 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [0,1,0,0,0,1|2,0,0]=4 1345 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [0,1,0,0,0,1|2,0,0]=4 1346 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [0,1,0,0,0,1|2,0,0]=4 1347 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,1,0,0,0,1|2,0,0]=4 1348 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [0,1,0,0,0,1|2,0,0]=4 1349 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,1,0,0,0,1|2,0,0]=4 1350 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [0,1,0,0,0,1|2,0,0]=4 1351 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [0,1,0,0,0,1|2,0,0]=4 1352 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [0,1,0,0,0,1|2,0,0]=4 1353 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [0,1,0,0,0,1|2,0,0]=4 1354 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [0,1,0,0,0,1|2,0,0]=4 1355 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [0,1,0,0,0,1|2,0,0]=4 1356 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [0,1,0,0,0,1|2,0,0]=4 1357 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [0,1,0,0,0,1|2,0,0]=4 1358 B9R0.14 CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210202 [0,1,0,0,0,1|2,0,0]=4 1359 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,1,0,0,0,1|2,0,0]=4 1360 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [0,1,0,0,0,1|2,0,0]=4 1361 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [0,1,0,0,0,1|2,0,0]=4 1362 B9R0.34 C=CC(=O)NC(C)CCC 1626a_100000741246_100000185746 [0,1,0,0,0,1|2,0,0]=4 1363 B9R0.34 C=CC(=O)NC(C)CCC 240690a_100000741246_200121576911 [0,1,0,0,0,1|2,0,0]=4 1364 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,1,0,0,0,1|1,0,1]=4 1365 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,1,0,0,0,1|1,0,1]=4 1366 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,1,0,0,0,1|1,0,1]=4 1367 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,1,0,0,0,1|2,0,0]=4 1368 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,1,0,0,0,1|2,0,0]=4 1369 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,1,0,0,0,1|2,0,0]=4 1370 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,1,0,0,0,1|1,0,0]=3 1371 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,1,0,0,0,1|2,0,0]=4 1372 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,1,0,0,0,1|2,0,0]=4 1373 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,1,0,0,0,1|2,0,0]=4 1374 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,1,0,0,0,1|2,0,0]=4 1375 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,1,0,0,0,1|2,0,0]=4 1376 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,1,0,0,0,1|2,0,0]=4 1377 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,1,0,0,0,1|2,0,0]=4 1378 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,1,0,0,0,1|2,0,0]=4 1379 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [0,1,0,0,0,1|1,0,0]=3 1380 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [0,1,0,0,0,1|1,0,0]=3 1381 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [0,1,0,0,0,1|2,0,0]=4 1382 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [0,1,0,0,0,1|2,0,0]=4 1383 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [0,1,0,0,0,1|2,0,0]=4 1384 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [0,1,0,0,0,1|2,0,0]=4 1385 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [0,1,0,0,0,1|2,0,0]=4 1386 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,1,0,0,0,1|2,0,0]=4 1387 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,1,0,0,0,1|2,0,0]=4 1388 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,1,0,0,0,1|2,0,0]=4 1389 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,1,0,0,0,1|2,0,0]=4 1390 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,1,0,0,0,1|2,0,0]=4 1391 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,1,0,0,0,1|2,0,0]=4 1392 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,1,0,0,0,1|2,0,0]=4 1393 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [0,1,0,0,0,1|2,0,0]=4 1394 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [0,1,0,0,0,1|2,0,0]=4 1395 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [0,1,0,0,0,1|2,0,0]=4 1396 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [0,1,0,0,0,1|2,0,0]=4 1397 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [0,1,0,0,0,1|2,0,0]=4 1398 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [0,1,0,0,0,1|2,0,0]=4 1399 B9R0.34 COC[C@@H](C)NC(=O)CO 240690a_100000764878_100000210174 [0,1,0,0,0,1|2,0,0]=4 1400 B9R0.34 COC[C@@H](C)NC(=O)CO 527a_100000764878_100000210174 [0,1,0,0,0,1|2,0,0]=4 1401 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,1,0,0,0,1|2,0,0]=4 1402 B9R0.34 C[C@H](CCO)NC(=O)CO 240690a_100000706166_100000210174 [0,1,0,0,0,1|2,0,0]=4 1403 B9R0.34 C[C@H](CCO)NC(=O)CO 527a_100000706166_100000210174 [0,1,0,0,0,1|2,0,0]=4 1404 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,1,0,0,0,1|2,0,0]=4 1405 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,1,0,0,0,1|2,0,0]=4 1406 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,1,0,0,0,1|2,0,0]=4 1407 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,1,0,0,0,1|2,0,0]=4 1408 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,1,0,0,0,1|2,0,0]=4 1409 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,1,0,0,0,1|2,0,0]=4 1410 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,1,0,0,0,1|2,0,0]=4 1411 B9R0.58 CCCC(C)(O)CC(=O)C 1458a_100011667670_200000210301 [0,1,0,0,0,1|2,0,0]=4 1412 B9R0.58 CCCC(C)(O)CC(=O)[13CH3] 1458a_100011667670_200025704644 [0,1,0,0,0,1|2,0,0]=4 1413 B9R0.58 CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210202 [0,1,0,0,0,1|2,0,0]=4 1414 B9R0.27 CCC(=O)C(C)C(=O)CO 1458a_100000210174_100000742827 [0,2,0,0,0,0|1,0,1]=4 1415 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100000210414_100000211248 [0,2,0,0,0,0|1,0,1]=4 1416 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210202 [0,2,0,0,0,0|1,0,1]=4 1417 B9R0.27 CCC(C)N(C)C(=O)CO 240690a_100000741768_100000210174 [0,2,0,0,0,0|2,0,0]=4 1418 B9R0.27 CCC(C)N(C)C(=O)CO 527a_100000741768_100000210174 [0,2,0,0,0,0|2,0,0]=4 1419 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000225621_100000211248 [0,2,0,0,0,0|2,0,0]=4 1420 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000725243_100000210202 [0,2,0,0,0,0|2,0,0]=4 1421 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000225621_100000211248 [0,2,0,0,0,0|2,0,0]=4 1422 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000725243_100000204670 [0,2,0,0,0,0|2,0,0]=4 1423 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)OC 34a_100102634413_200000210301 [0,2,0,0,0,0|2,0,0]=4 1424 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100102634413_200025704644 [0,2,0,0,0,0|2,0,0]=4 1425 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC 34a_100000004424_200000210301 [0,2,0,0,0,0|1,0,0]=3 1426 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100000004424_200025704644 [0,2,0,0,0,0|1,0,0]=3 1427 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [0,2,0,0,0,0|2,0,0]=4 1428 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [0,2,0,0,0,0|0,0,0]=2 1429 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [0,2,0,0,0,0|0,0,0]=2 1430 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)N 2230a_100000758034_200000210301 [0,2,0,0,0,0|1,0,0]=3 1431 B9R0.29 CC[C@H](C)[C@H](N[13CH3])C(=O)N 2230a_100000758034_200025704644 [0,2,0,0,0,0|1,0,0]=3 1432 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [0,2,0,0,0,0|1,0,0]=3 1433 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [0,2,0,0,0,0|1,0,0]=3 1434 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,2,0,0,0,0|2,0,0]=4 1435 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,2,0,0,0,0|2,0,0]=4 1436 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,2,0,0,0,0|1,0,1]=4 1437 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,2,0,0,0,0|1,0,1]=4 1438 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,2,0,0,0,0|1,0,1]=4 1439 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,2,0,0,0,0|2,0,0]=4 1440 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,2,0,0,0,0|2,0,0]=4 1441 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,2,0,0,0,0|2,0,0]=4 1442 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,2,0,0,0,0|2,0,0]=4 1443 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,2,0,0,0,0|2,0,0]=4 1444 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,2,0,0,0,0|1,0,0]=3 1445 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,2,0,0,0,0|2,0,0]=4 1446 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,2,0,0,0,0|2,0,0]=4 1447 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,2,0,0,0,0|2,0,0]=4 1448 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,2,0,0,0,0|2,0,0]=4 1449 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,2,0,0,0,0|2,0,0]=4 1450 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,2,0,0,0,0|2,0,0]=4 1451 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,2,0,0,0,0|2,0,0]=4 1452 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,2,0,0,0,0|2,0,0]=4 1453 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,2,0,0,0,0|2,0,0]=4 1454 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,2,0,0,0,0|2,0,0]=4 1455 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 1456 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 1457 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 1458 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 1459 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,2,0,0,0,0|2,0,0]=4 1460 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,2,0,0,0,0|2,0,0]=4 1461 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,2,0,0,0,0|2,0,0]=4 1462 B9R0.8 CCCOC(C)C(=O)NN 34a_100000725659_100000210303 [0,2,0,0,0,0|2,0,0]=4 1463 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,2,0,0,0,0|1,0,0]=3 1464 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,2,0,0,0,0|1,0,0]=3 1465 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [0,2,0,0,0,0|2,0,0]=4 1466 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,2,0,0,0,0|2,0,0]=4 1467 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,2,0,0,0,0|2,0,0]=4 1468 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,2,0,0,0,0|2,0,0]=4 1469 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,2,0,0,0,0|2,0,0]=4 1470 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,2,0,0,0,0|1,0,0]=3 1471 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,2,0,0,0,0|1,0,0]=3 1472 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [0,2,0,0,0,0|2,0,0]=4 1473 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [0,2,0,0,0,0|2,0,0]=4 1474 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [0,2,0,0,0,0|2,0,0]=4 1475 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [0,2,0,0,0,0|2,0,0]=4 1476 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,2,0,0,0,0|1,0,1]=4 1477 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,2,0,0,0,0|1,0,0]=3 1478 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,2,0,0,0,0|1,0,0]=3 1479 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,2,0,0,0,0|1,0,0]=3 1480 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,2,0,0,0,0|1,0,0]=3 1481 B9R0.8 CCOCC(N)C(=O)NN 34a_100016989258_100000210202 [0,2,0,0,0,0|1,0,0]=3 1482 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,2,0,0,0,0|0,0,0]=2 1483 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,2,0,0,0,0|1,0,1]=4 1484 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,2,0,0,0,0|1,0,1]=4 1485 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,2,0,0,0,0|1,0,0]=3 1486 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,2,0,0,0,0|1,0,0]=3 1487 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [0,2,0,0,0,0|2,0,0]=4 1488 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [0,2,0,0,0,0|2,0,0]=4 1489 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,2,0,0,0,0|2,0,0]=4 1490 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,2,0,0,0,0|1,0,0]=3 1491 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,2,0,0,0,0|1,0,0]=3 1492 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,2,0,0,0,0|1,0,0]=3 1493 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,2,0,0,0,0|1,0,0]=3 1494 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,2,0,0,0,0|1,0,0]=3 1495 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,2,0,0,0,0|1,0,0]=3 1496 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,2,0,0,0,0|1,0,0]=3 1497 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [0,2,0,0,0,0|2,0,0]=4 1498 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [0,2,0,0,0,0|2,0,0]=4 1499 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [0,2,0,0,0,0|2,0,0]=4 1500 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [0,2,0,0,0,0|2,0,0]=4 1501 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,2,0,0,0,0|2,0,0]=4 1502 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,2,0,0,0,0|2,0,0]=4 1503 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,2,0,0,0,0|2,0,0]=4 1504 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,2,0,0,0,0|2,0,0]=4 1505 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,2,0,0,0,0|2,0,0]=4 1506 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,2,0,0,0,0|2,0,0]=4 1507 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,2,0,0,0,0|2,0,0]=4 1508 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,2,0,0,0,0|2,0,0]=4 1509 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,2,0,0,0,0|2,0,0]=4 1510 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,2,0,0,0,0|2,0,0]=4 1511 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,2,0,0,0,0|2,0,0]=4 1512 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,2,0,0,0,0|2,0,0]=4 1513 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [0,2,0,0,0,0|2,0,0]=4 1514 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [0,2,0,0,0,0|2,0,0]=4 1515 B9R0.8 COC(=O)C(F)COCF 34a_200009849844_100015361967 [0,2,0,0,0,0|2,0,0]=4 1516 B9R0.8 COC(=O)[C@H](N)COCF 34a_100000003586_100015361967 [0,2,0,0,0,0|1,0,0]=3 1517 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,2,0,0,0,0|1,0,0]=3 1518 B9R0.8 COCCN(C)C(=O)CO 240690a_100000743101_100000210174 [0,2,0,0,0,0|2,0,0]=4 1519 B9R0.8 COCCN(C)C(=O)CO 527a_100000743101_100000210174 [0,2,0,0,0,0|2,0,0]=4 1520 B9R0.8 COCSC(C)C(=O)OC 62a_100000211248_100000766300 [0,2,0,0,0,0|2,0,0]=4 1521 B9R0.8 COCSC(C)C(=O)OC 62a_100000766300_100000211248 [0,2,0,0,0,0|2,0,0]=4 1522 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,2,0,0,0,0|2,0,0]=4 1523 B9R0.8 CSCCN(C)C(=O)CO 240690a_100000686725_100000210174 [0,2,0,0,0,0|2,0,0]=4 1524 B9R0.8 CSCCN(C)C(=O)CO 527a_100000686725_100000210174 [0,2,0,0,0,0|2,0,0]=4 1525 B9R0.8 NNC(=O)C(N)COCF 34a_100016989258_100015361967 [0,2,0,0,0,0|2,0,0]=4 1526 B9R0.12 C#CC(=O)C(CC)CCC 1458a_100000211873_100011219200 [0,2,0,0,0,0|2,0,0]=4 1527 B9R0.12 C=CC(=O)C(CC)CCC 1458a_100000185746_100011219200 [0,2,0,0,0,0|2,0,0]=4 1528 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [0,2,0,0,0,0|2,0,0]=4 1529 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [0,2,0,0,0,0|2,0,0]=4 1530 B9R0.12 CCCC(CC)C(=O)CF 1458a_100011416436_100015361967 [0,2,0,0,0,0|2,0,0]=4 1531 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [0,2,0,0,0,0|1,0,0]=3 1532 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [0,2,0,0,0,0|2,0,0]=4 1533 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [0,2,0,0,0,0|2,0,0]=4 1534 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [0,2,0,0,0,0|2,0,0]=4 1535 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [0,2,0,0,0,0|2,0,0]=4 1536 B9R0.12 CCCC(NC)C(=O)NC 2230a_106256046333_200000210301 [0,2,0,0,0,0|1,0,0]=3 1537 B9R0.12 CCCC(NC)C(=O)NC 34a_106256046333_200000210301 [0,2,0,0,0,0|1,0,0]=3 1538 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [0,2,0,0,0,0|0,0,0]=2 1539 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [0,2,0,0,0,0|0,0,0]=2 1540 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [0,2,0,0,0,0|0,0,0]=2 1541 B9R0.12 CCCC(N[13CH3])C(=O)NC 2230a_106256046333_200025704644 [0,2,0,0,0,0|1,0,0]=3 1542 B9R0.12 CCCC(N[13CH3])C(=O)NC 34a_106256046333_200025704644 [0,2,0,0,0,0|1,0,0]=3 1543 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [0,2,0,0,0,0|1,0,0]=3 1544 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [0,2,0,0,0,0|1,0,0]=3 1545 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [0,2,0,0,0,0|1,0,0]=3 1546 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [0,2,0,0,0,0|1,0,0]=3 1547 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [0,2,0,0,0,0|1,0,0]=3 1548 B9R0.12 CCCN(CC)C(=O)CO 240690a_100000226822_100000210174 [0,2,0,0,0,0|2,0,0]=4 1549 B9R0.12 CCCN(CC)C(=O)CO 527a_100000226822_100000210174 [0,2,0,0,0,0|2,0,0]=4 1550 B9R0.12 CCNC(CC)C(=O)OC 2230a_100015525214_100000235869 [0,2,0,0,0,0|2,0,0]=4 1551 B9R0.12 CCOC(C=O)C(=O)OC 34a_100121572206_100000046368 [0,2,0,0,0,0|2,0,0]=4 1552 B9R0.12 CCOC(CC)C(=O)OC 34a_100000695916_100000210202 [0,2,0,0,0,0|2,0,0]=4 1553 B9R0.12 CCOC(CC)C(=O)OC 34a_100121572206_100000235869 [0,2,0,0,0,0|2,0,0]=4 1554 B9R0.12 CCOC(CC)C(=O)OC 7a_100000695916_100000210202 [0,2,0,0,0,0|2,0,0]=4 1555 B9R0.12 CCOC(CN)C(=O)OC 34a_100000695228_100000210202 [0,2,0,0,0,0|1,0,0]=3 1556 B9R0.12 CCOC(CO)C(=O)OC 34a_100121572206_100012276630 [0,2,0,0,0,0|2,0,0]=4 1557 B9R0.12 CCOC(OC)C(=O)OC 34a_100000036821_100000210202 [0,2,0,0,0,0|2,0,0]=4 1558 B9R0.12 CCOC(OC)C(=O)OC 34a_100121572206_100000101307 [0,2,0,0,0,0|2,0,0]=4 1559 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000046368_100000210202 [0,2,0,0,0,0|2,0,0]=4 1560 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000210202_100000046368 [0,2,0,0,0,0|2,0,0]=4 1561 B9R0.12 CCSC(CC)C(=O)OC 62a_100000210202_100000235869 [0,2,0,0,0,0|2,0,0]=4 1562 B9R0.12 CCSC(CC)C(=O)OC 62a_100000235869_100000210202 [0,2,0,0,0,0|2,0,0]=4 1563 B9R0.12 CCSC(CO)C(=O)OC 62a_100000210202_100012276630 [0,2,0,0,0,0|2,0,0]=4 1564 B9R0.12 CCSC(CO)C(=O)OC 62a_100012276630_100000210202 [0,2,0,0,0,0|2,0,0]=4 1565 B9R0.12 CCSC(OC)C(=O)OC 62a_100000101307_100000210202 [0,2,0,0,0,0|2,0,0]=4 1566 B9R0.12 CCSC(OC)C(=O)OC 62a_100000210202_100000101307 [0,2,0,0,0,0|2,0,0]=4 1567 B9R0.12 CNC(COC)C(=O)OC 34a_100102657272_100000717350 [0,2,0,0,0,0|1,0,0]=3 1568 B9R0.12 COC(=O)C(CN)OCF 34a_100000695228_100015361967 [0,2,0,0,0,0|2,0,0]=4 1569 B9R0.12 COCC(OC)C(=O)OC 34a_100138415774_100000717350 [0,2,0,0,0,0|2,0,0]=4 1570 B9R0.12 COCC(SC)C(=O)OC 62a_100000717350_200000210301 [0,2,0,0,0,0|2,0,0]=4 1571 B9R0.12 COCC(SC)C(=O)OC 62a_200000210301_100000717350 [0,2,0,0,0,0|2,0,0]=4 1572 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_100000717350_200025704644 [0,2,0,0,0,0|2,0,0]=4 1573 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_200025704644_100000717350 [0,2,0,0,0,0|2,0,0]=4 1574 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100000210906_100000184674 [0,2,0,0,0,0|2,0,0]=4 1575 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100011220946_100000766640 [0,2,0,0,0,0|2,0,0]=4 1576 B9R0.35 C#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000184674 [0,2,0,0,0,0|2,0,0]=4 1577 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210193_100000766640 [0,2,0,0,0,0|2,0,0]=4 1578 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210906_100000210623 [0,2,0,0,0,0|2,0,0]=4 1579 B9R0.35 C=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210623 [0,2,0,0,0,0|2,0,0]=4 1580 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [0,2,0,0,0,0|2,0,0]=4 1581 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [0,2,0,0,0,0|2,0,0]=4 1582 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,2,0,0,0,0|2,0,0]=4 1583 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,2,0,0,0,0|2,0,0]=4 1584 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,2,0,0,0,0|2,0,0]=4 1585 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,2,0,0,0,0|2,0,0]=4 1586 B9R0.35 CCCC(C)C(=O)C=CBr 1458a_100016273825_100000766640 [0,2,0,0,0,0|2,0,0]=4 1587 B9R0.35 CCCC(C)C(=O)C=CCl 1458a_200016279998_100000766640 [0,2,0,0,0,0|2,0,0]=4 1588 B9R0.35 CCCC(C)C(=O)C=CI 1458a_100016256311_100000766640 [0,2,0,0,0,0|2,0,0]=4 1589 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100000210906_100011214920 [0,2,0,0,0,0|2,0,0]=4 1590 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100051588842_100000766640 [0,2,0,0,0,0|2,0,0]=4 1591 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,2,0,0,0,0|2,0,0]=4 1592 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,2,0,0,0,0|1,0,0]=3 1593 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,2,0,0,0,0|1,0,0]=3 1594 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,2,0,0,0,0|1,0,0]=3 1595 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,2,0,0,0,0|1,1,0]=4 1596 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 1597 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 1598 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 1599 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [0,2,0,0,0,0|2,0,0]=4 1600 B9R0.35 CCCN(C)C(=O)CCO 240690a_100000747261_100011216618 [0,2,0,0,0,0|2,0,0]=4 1601 B9R0.35 CCCN(C)C(=O)COC 11a_100000747261_100000210968 [0,2,0,0,0,0|2,0,0]=4 1602 B9R0.35 CCCN(C)C(=O)COC 1626a_100000747261_100000210968 [0,2,0,0,0,0|2,0,0]=4 1603 B9R0.35 CCCN(C)C(=O)COC 240690a_100000747261_100000210968 [0,2,0,0,0,0|2,0,0]=4 1604 B9R0.35 CCCN(C)C(=O)COC 527a_100000747261_100000210968 [0,2,0,0,0,0|2,0,0]=4 1605 B9R0.35 CCC[C@H](O)C(=O)CC#N 1458a_100009822183_100011214920 [0,2,0,0,0,0|2,0,0]=4 1606 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,2,0,0,0,0|2,0,0]=4 1607 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,2,0,0,0,0|1,0,0]=3 1608 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,2,0,0,0,0|2,0,0]=4 1609 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [0,2,0,0,0,0|2,0,0]=4 1610 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,2,0,0,0,0|2,0,0]=4 1611 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,2,0,0,0,0|2,0,0]=4 1612 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,2,0,0,0,0|2,0,0]=4 1613 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,2,0,0,0,0|2,0,0]=4 1614 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,2,0,0,0,0|2,0,0]=4 1615 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,2,0,0,0,0|2,0,0]=4 1616 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,2,0,0,0,0|2,0,0]=4 1617 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,2,0,0,0,0|2,0,0]=4 1618 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,2,0,0,0,0|2,0,0]=4 1619 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,2,0,0,0,0|2,0,0]=4 1620 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [0,2,0,0,0,0|2,0,0]=4 1621 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [0,2,0,0,0,0|2,0,0]=4 1622 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [0,2,0,0,0,0|2,0,0]=4 1623 B9R0.35 COCC(C)C(=O)CCO 1458a_100000751857_100000211926 [0,2,0,0,0,0|2,0,0]=4 1624 B9R0.35 COCC(C)C(=O)CCO 1458a_100011216618_100000765312 [0,2,0,0,0,0|2,0,0]=4 1625 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [0,2,0,0,0,0|2,0,0]=4 1626 B9R0.60 CCCC(C)(C)C(=O)CC 1458a_100011215034_100000210202 [0,2,0,0,0,0|2,0,0]=4 1627 B9R0.60 CCCC(C)(C)C(=O)CF 1458a_100011215034_100015361967 [0,2,0,0,0,0|2,0,0]=4 1628 B9R0.60 CCCC(C)(C)C(=O)NC 11a_106832991635_100011215034 [0,2,0,0,0,0|2,0,0]=4 1629 B9R0.60 CCCC(C)(C)C(=O)NC 1626a_100102657272_100011215034 [0,2,0,0,0,0|2,0,0]=4 1630 B9R0.60 CCCC(C)(C)C(=O)NC 240690a_100102657272_100011215034 [0,2,0,0,0,0|2,0,0]=4 1631 B9R0.60 CCCC(C)(C)C(=O)NC 527a_100102657272_100011215034 [0,2,0,0,0,0|2,0,0]=4 1632 B9R0.60 CCNC(C)(C)C(=O)OC 2230a_100015525214_100000689032 [0,2,0,0,0,0|2,0,0]=4 1633 B9R0.60 CCNC(C)(F)C(=O)OC 2230a_100015525214_200009867631 [0,2,0,0,0,0|2,0,0]=4 1634 B9R0.60 CCOC(C)(C)C(=O)OC 34a_100011217581_100000210202 [0,2,0,0,0,0|2,0,0]=4 1635 B9R0.60 CCOC(C)(C)C(=O)OC 7a_100011217581_100000210202 [0,2,0,0,0,0|2,0,0]=4 1636 B9R0.60 CCOC(C)(F)C(=O)OC 34a_100121572206_200009867631 [0,2,0,0,0,0|2,0,0]=4 1637 B9R0.60 CCOC(F)(F)C(=O)OC 34a_100121572206_100000211177 [0,2,0,0,0,0|2,0,0]=4 1638 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000210202_100000689032 [0,2,0,0,0,0|2,0,0]=4 1639 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000689032_100000210202 [0,2,0,0,0,0|2,0,0]=4 1640 B9R0.60 CCSC(C)(F)C(=O)OC 62a_100000210202_200009867631 [0,2,0,0,0,0|2,0,0]=4 1641 B9R0.60 CCSC(C)(F)C(=O)OC 62a_200009867631_100000210202 [0,2,0,0,0,0|2,0,0]=4 1642 B9R0.60 CCSC(F)(F)C(=O)OC 62a_100000210202_100000211177 [0,2,0,0,0,0|2,0,0]=4 1643 B9R0.60 CCSC(F)(F)C(=O)OC 62a_100000211177_100000210202 [0,2,0,0,0,0|2,0,0]=4 1644 B9R0.60 CNCC(F)(F)C(=O)OC 34a_100102657272_100010295740 [0,2,0,0,0,0|2,0,0]=4 1645 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 34a_100000709632_200025704644 [0,2,0,0,0,0|2,0,0]=4 1646 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 7a_100000709632_200025704644 [0,2,0,0,0,0|2,0,0]=4 1647 B9R0.60 COC(=O)C(C)(C)CSC 62a_100000684552_200000210301 [0,2,0,0,0,0|2,0,0]=4 1648 B9R0.60 COC(=O)C(C)(C)CSC 62a_200000210301_100000684552 [0,2,0,0,0,0|2,0,0]=4 1649 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_100000684552_200025704644 [0,2,0,0,0,0|2,0,0]=4 1650 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100000684552 [0,2,0,0,0,0|2,0,0]=4 1651 B9R0.60 COC(=O)C(F)(F)CSC 62a_100010295740_200000210301 [0,2,0,0,0,0|2,0,0]=4 1652 B9R0.60 COC(=O)C(F)(F)CSC 62a_200000210301_100010295740 [0,2,0,0,0,0|2,0,0]=4 1653 B9R0.60 COC(=O)C(F)(F)CS[13CH3] 62a_100010295740_200025704644 [0,2,0,0,0,0|2,0,0]=4 1654 B9R0.60 COC(=O)C(F)(F)CS[13CH3] 62a_200025704644_100010295740 [0,2,0,0,0,0|2,0,0]=4 1655 B9R0.60 COCC(C)(C)C(=O)OC 34a_100000709632_200000210301 [0,2,0,0,0,0|2,0,0]=4 1656 B9R0.60 COCC(C)(C)C(=O)OC 7a_100000709632_200000210301 [0,2,0,0,0,0|2,0,0]=4 1657 B9R0.60 COCC(F)(F)C(=O)OC 34a_100138415774_100010295740 [0,2,0,0,0,0|2,0,0]=4 1658 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,2,0,0,0,0|1,0,1]=4 1659 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,2,0,0,0,0|2,0,0]=4 1660 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,2,0,0,0,0|2,0,0]=4 1661 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,2,0,0,0,0|2,0,0]=4 1662 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,2,0,0,0,0|2,0,0]=4 1663 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,2,0,0,0,0|2,0,0]=4 1664 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,2,0,0,0,0|2,0,0]=4 1665 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,2,0,0,0,0|2,0,0]=4 1666 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,2,0,0,0,0|2,0,0]=4 1667 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,2,0,0,0,0|2,0,0]=4 1668 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,2,0,0,0,0|2,0,0]=4 1669 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,2,0,0,0,0|2,0,0]=4 1670 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,2,0,0,0,0|2,0,0]=4 1671 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,2,0,0,0,0|2,0,0]=4 1672 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,2,0,0,0,0|2,0,0]=4 1673 B9R0.7 CC(Br)COC(C)C(=O)N 34a_100012180447_100000702099 [0,2,0,0,0,0|2,0,0]=4 1674 B9R0.7 CC(Br)COC(F)C(=O)N 34a_100012180447_100009813875 [0,2,0,0,0,0|2,0,0]=4 1675 B9R0.7 CC(Br)COC(F)C(=O)[O-] 34a_100012180447_100020610796 [0,2,0,0,0,0|1,0,1]=4 1676 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,2,0,0,0,0|2,0,0]=4 1677 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,2,0,0,0,0|2,0,0]=4 1678 B9R0.7 CC(C)CNC(F)C(=O)N 2230a_100000210953_100009813875 [0,2,0,0,0,0|2,0,0]=4 1679 B9R0.7 CC(C)CNC(F)C(=O)N 34a_100000210953_100009813875 [0,2,0,0,0,0|2,0,0]=4 1680 B9R0.7 CC(C)CNC(F)C(=O)[O-] 34a_100000210953_100020610796 [0,2,0,0,0,0|1,0,1]=4 1681 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,2,0,0,0,0|1,0,0]=3 1682 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,2,0,0,0,0|2,0,0]=4 1683 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,2,0,0,0,0|2,0,0]=4 1684 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,2,0,0,0,0|2,0,0]=4 1685 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,2,0,0,0,0|2,0,0]=4 1686 B9R0.7 CC(C)COC(F)C(=O)N 34a_100000210257_100009813875 [0,2,0,0,0,0|2,0,0]=4 1687 B9R0.7 CC(C)COC(F)C(=O)[O-] 34a_100000210257_100020610796 [0,2,0,0,0,0|1,0,1]=4 1688 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,2,0,0,0,0|1,0,1]=4 1689 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,2,0,0,0,0|2,0,0]=4 1690 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,2,0,0,0,0|2,0,0]=4 1691 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,2,0,0,0,0|2,0,0]=4 1692 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,2,0,0,0,0|2,0,0]=4 1693 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100000210624_100009813875 [0,2,0,0,0,0|2,0,0]=4 1694 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100009813875_100000210760 [0,2,0,0,0,0|2,0,0]=4 1695 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100000210624_100020610796 [0,2,0,0,0,0|1,0,1]=4 1696 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000210760 [0,2,0,0,0,0|1,0,1]=4 1697 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,2,0,0,0,0|1,0,0]=3 1698 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,2,0,0,0,0|1,0,0]=3 1699 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,2,0,0,0,0|1,0,0]=3 1700 B9R0.7 CC(F)COC(C)C(=O)N 34a_100015925927_100000702099 [0,2,0,0,0,0|2,0,0]=4 1701 B9R0.7 CC(F)COC(F)C(=O)N 34a_100015925927_100009813875 [0,2,0,0,0,0|2,0,0]=4 1702 B9R0.7 CC(F)COC(F)C(=O)[O-] 34a_100015925927_100020610796 [0,2,0,0,0,0|1,0,1]=4 1703 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [0,2,0,0,0,0|2,0,0]=4 1704 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [0,2,0,0,0,0|2,0,0]=4 1705 B9R0.7 CC(O)CNC(F)C(=O)N 2230a_100000210904_100009813875 [0,2,0,0,0,0|2,0,0]=4 1706 B9R0.7 CC(O)CNC(F)C(=O)N 34a_100000210904_100009813875 [0,2,0,0,0,0|2,0,0]=4 1707 B9R0.7 CC(O)CNC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,2,0,0,0,0|1,0,1]=4 1708 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,2,0,0,0,0|1,0,0]=3 1709 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [0,2,0,0,0,0|2,0,0]=4 1710 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [0,2,0,0,0,0|2,0,0]=4 1711 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [0,2,0,0,0,0|1,0,1]=4 1712 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [0,2,0,0,0,0|2,0,0]=4 1713 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [0,2,0,0,0,0|2,0,0]=4 1714 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [0,2,0,0,0,0|2,0,0]=4 1715 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [0,2,0,0,0,0|2,0,0]=4 1716 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100009813875_100011218427 [0,2,0,0,0,0|2,0,0]=4 1717 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100011218427_100009813875 [0,2,0,0,0,0|2,0,0]=4 1718 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100011218427_100020610796 [0,2,0,0,0,0|1,0,1]=4 1719 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218427 [0,2,0,0,0,0|1,0,1]=4 1720 B9R0.7 CC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000702099 [0,2,0,0,0,0|2,0,0]=4 1721 B9R0.7 CC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000702099 [0,2,0,0,0,0|2,0,0]=4 1722 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [0,2,0,0,0,0|2,0,0]=4 1723 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [0,2,0,0,0,0|2,0,0]=4 1724 B9R0.7 C[C@@H](Cl)COC(F)C(=O)N 34a_100016084084_100009813875 [0,2,0,0,0,0|2,0,0]=4 1725 B9R0.7 C[C@@H](Cl)COC(F)C(=O)[O-] 34a_100016084084_100020610796 [0,2,0,0,0,0|1,0,1]=4 1726 B9R0.7 C[C@@H](N)COC(F)C(=O)N 34a_100000737577_100009813875 [0,2,0,0,0,0|2,0,0]=4 1727 B9R0.7 C[C@@H](N)COC(F)C(=O)[O-] 34a_100000737577_100020610796 [0,2,0,0,0,0|1,0,1]=4 1728 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [0,2,0,0,0,0|2,0,0]=4 1729 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [0,2,0,0,0,0|2,0,0]=4 1730 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [0,2,0,0,0,0|2,0,0]=4 1731 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [0,2,0,0,0,0|2,0,0]=4 1732 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009813875_100009817552 [0,2,0,0,0,0|2,0,0]=4 1733 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009817552_100009813875 [0,2,0,0,0,0|2,0,0]=4 1734 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100009817552_100020610796 [0,2,0,0,0,0|1,0,1]=4 1735 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100020610796_100009817552 [0,2,0,0,0,0|1,0,1]=4 1736 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [0,2,0,0,0,0|2,0,0]=4 1737 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,2,0,0,0,0|1,0,0]=3 1738 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [0,2,0,0,0,0|1,0,1]=4 1739 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [0,2,0,0,0,0|1,0,0]=3 1740 B9R0.13 C=C[C@H](NCCF)C(=O)O 269956a_100016992060_100011217306 [0,2,0,0,0,0|2,0,0]=4 1741 B9R0.13 C=C[C@H](NCCO)C(=O)O 269956a_100016992060_100000211926 [0,2,0,0,0,0|2,0,0]=4 1742 B9R0.13 C=C[C@H](NCOC)C(=O)O 269956a_100016992060_100000766300 [0,2,0,0,0,0|2,0,0]=4 1743 B9R0.13 C=C[C@H](NCSC)C(=O)O 269956a_100016992060_100011218213 [0,2,0,0,0,0|2,0,0]=4 1744 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,2,0,0,0,0|2,0,0]=4 1745 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,2,0,0,0,0|2,0,0]=4 1746 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,2,0,0,0,0|2,0,0]=4 1747 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,2,0,0,0,0|1,0,0]=3 1748 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,2,0,0,0,0|1,0,0]=3 1749 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,2,0,0,0,0|1,0,0]=3 1750 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,2,0,0,0,0|2,0,0]=4 1751 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,2,0,0,0,0|2,0,0]=4 1752 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,2,0,0,0,0|2,0,0]=4 1753 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,2,0,0,0,0|2,0,0]=4 1754 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,2,0,0,0,0|2,0,0]=4 1755 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,2,0,0,0,0|1,0,0]=3 1756 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,2,0,0,0,0|1,0,0]=3 1757 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,2,0,0,0,0|1,0,0]=3 1758 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,2,0,0,0,0|1,0,0]=3 1759 B9R0.13 CCCNC(C#N)C(=O)N 2230a_100000039599_100000210303 [0,2,0,0,0,0|1,0,1]=4 1760 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [0,2,0,0,0,0|2,0,0]=4 1761 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [0,2,0,0,0,0|2,0,0]=4 1762 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,2,0,0,0,0|1,0,0]=3 1763 B9R0.13 CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210303 [0,2,0,0,0,0|2,0,0]=4 1764 B9R0.13 CCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210303 [0,2,0,0,0,0|2,0,0]=4 1765 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,2,0,0,0,0|1,0,0]=3 1766 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [0,2,0,0,0,0|2,0,0]=4 1767 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [0,2,0,0,0,0|2,0,0]=4 1768 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [0,2,0,0,0,0|2,0,0]=4 1769 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [0,2,0,0,0,0|2,0,0]=4 1770 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [0,2,0,0,0,0|2,0,0]=4 1771 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [0,2,0,0,0,0|2,0,0]=4 1772 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [0,2,0,0,0,0|2,0,0]=4 1773 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [0,2,0,0,0,0|1,0,0]=3 1774 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [0,2,0,0,0,0|1,0,0]=3 1775 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,2,0,0,0,0|0,0,0]=2 1776 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [0,2,0,0,0,0|0,0,0]=2 1777 B9R0.13 COCNC(CO)C(=O)O 269956a_100000187304_100000766300 [0,2,0,0,0,0|2,0,0]=4 1778 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [0,2,0,0,0,0|1,0,0]=3 1779 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [0,2,0,0,0,0|1,0,0]=3 1780 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,2,0,0,0,0|0,0,0]=2 1781 B9R0.13 CSCNC(CO)C(=O)O 269956a_100000187304_100011218213 [0,2,0,0,0,0|2,0,0]=4 1782 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [0,2,0,0,0,0|0,0,0]=2 1783 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [0,2,0,0,0,0|2,0,0]=4 1784 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [0,2,0,0,0,0|2,0,0]=4 1785 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200000035995 [0,2,0,0,0,0|2,0,0]=4 1786 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [0,2,0,0,0,0|2,0,0]=4 1787 B9R0.42 CC(C#N)N[C@@H](C)C(=O)O 269956a_100000743915_100000184139 [0,2,0,0,0,0|2,0,0]=4 1788 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,2,0,0,0,0|2,0,0]=4 1789 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,2,0,0,0,0|2,0,0]=4 1790 B9R0.42 CCC(C)NC(F)C(=O)N 2230a_100000209981_100009813875 [0,2,0,0,0,0|2,0,0]=4 1791 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,2,0,0,0,0|1,0,0]=3 1792 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,2,0,0,0,0|2,0,0]=4 1793 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,2,0,0,0,0|2,0,0]=4 1794 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,2,0,0,0,0|2,0,0]=4 1795 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,2,0,0,0,0|2,0,0]=4 1796 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [0,2,0,0,0,0|2,0,0]=4 1797 B9R0.42 CCC(C)OC(F)C(=O)N 7a_100000210228_100009813875 [0,2,0,0,0,0|2,0,0]=4 1798 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [0,2,0,0,0,0|1,0,1]=4 1799 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [0,2,0,0,0,0|2,0,0]=4 1800 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [0,2,0,0,0,0|2,0,0]=4 1801 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,2,0,0,0,0|2,0,0]=4 1802 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,2,0,0,0,0|2,0,0]=4 1803 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,2,0,0,0,0|2,0,0]=4 1804 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,2,0,0,0,0|2,0,0]=4 1805 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100000758301_100009813875 [0,2,0,0,0,0|2,0,0]=4 1806 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100009813875_100000758301 [0,2,0,0,0,0|2,0,0]=4 1807 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100000758301_100020610796 [0,2,0,0,0,0|1,0,1]=4 1808 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000758301 [0,2,0,0,0,0|1,0,1]=4 1809 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,2,0,0,0,0|2,0,0]=4 1810 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,2,0,0,0,0|2,0,0]=4 1811 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,2,0,0,0,0|2,0,0]=4 1812 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,2,0,0,0,0|2,0,0]=4 1813 B9R0.47 C#CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000688953 [0,2,0,0,0,0|1,0,1]=4 1814 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [0,2,0,0,0,0|1,0,1]=4 1815 B9R0.47 C#CCNCC(F)C(=O)O 269956a_100000084737_100000184674 [0,2,0,0,0,0|1,0,1]=4 1816 B9R0.47 C#CCOC[C@H](N)C(=O)N 34a_100000729942_100000184674 [0,2,0,0,0,0|1,0,1]=4 1817 B9R0.47 C/C=C/CN[C@@H](C)C(=O)O 269956a_100000743915_100102629194 [0,2,0,0,0,0|1,0,1]=4 1818 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,2,0,0,0,0|1,0,1]=4 1819 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,2,0,0,0,0|1,0,1]=4 1820 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,2,0,0,0,0|1,0,1]=4 1821 B9R0.47 C=CCOC[C@H](N)C(=O)N 34a_100000729942_100015514636 [0,2,0,0,0,0|1,0,1]=4 1822 B9R0.47 CC#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000748600 [0,2,0,0,0,0|1,0,1]=4 1823 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,2,0,0,0,0|2,0,0]=4 1824 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,2,0,0,0,0|2,0,0]=4 1825 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,2,0,0,0,0|2,0,0]=4 1826 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,2,0,0,0,0|2,0,0]=4 1827 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,2,0,0,0,0|2,0,0]=4 1828 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,2,0,0,0,0|2,0,0]=4 1829 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,2,0,0,0,0|2,0,0]=4 1830 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,2,0,0,0,0|2,0,0]=4 1831 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,2,0,0,0,0|2,0,0]=4 1832 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,2,0,0,0,0|2,0,0]=4 1833 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,2,0,0,0,0|2,0,0]=4 1834 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [0,2,0,0,0,0|1,0,1]=4 1835 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,2,0,0,0,0|1,0,1]=4 1836 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,2,0,0,0,0|1,0,0]=3 1837 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,2,0,0,0,0|1,0,0]=3 1838 B9R0.47 CC(NCCCF)C(=O)N 2230a_100015189416_100000702099 [0,2,0,0,0,0|2,0,0]=4 1839 B9R0.47 CC(NCCCF)C(=O)N 34a_100015189416_100000702099 [0,2,0,0,0,0|2,0,0]=4 1840 B9R0.47 CC(OCCCBr)C(=O)N 34a_100011217188_100000702099 [0,2,0,0,0,0|2,0,0]=4 1841 B9R0.47 CC(OCCCCl)C(=O)N 34a_100000230001_100000702099 [0,2,0,0,0,0|2,0,0]=4 1842 B9R0.47 CC(OCCCF)C(=O)N 34a_100000759539_100000702099 [0,2,0,0,0,0|2,0,0]=4 1843 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [0,2,0,0,0,0|2,0,0]=4 1844 B9R0.47 CC(SCCCF)C(=O)N 62a_100000702099_100011934791 [0,2,0,0,0,0|2,0,0]=4 1845 B9R0.47 CC(SCCCF)C(=O)N 62a_100011934791_100000702099 [0,2,0,0,0,0|2,0,0]=4 1846 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [0,2,0,0,0,0|2,0,0]=4 1847 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [0,2,0,0,0,0|2,0,0]=4 1848 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,2,0,0,0,0|2,0,0]=4 1849 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,2,0,0,0,0|2,0,0]=4 1850 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,2,0,0,0,0|2,0,0]=4 1851 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,2,0,0,0,0|2,0,0]=4 1852 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,2,0,0,0,0|2,0,0]=4 1853 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,2,0,0,0,0|2,0,0]=4 1854 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,2,0,0,0,0|2,0,0]=4 1855 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,2,0,0,0,0|2,0,0]=4 1856 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,2,0,0,0,0|2,0,0]=4 1857 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,2,0,0,0,0|1,0,0]=3 1858 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,2,0,0,0,0|2,0,0]=4 1859 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,2,0,0,0,0|2,0,0]=4 1860 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,2,0,0,0,0|2,0,0]=4 1861 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,2,0,0,0,0|2,0,0]=4 1862 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,2,0,0,0,0|2,0,0]=4 1863 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,2,0,0,0,0|2,0,0]=4 1864 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,2,0,0,0,0|2,0,0]=4 1865 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,2,0,0,0,0|2,0,0]=4 1866 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,2,0,0,0,0|1,0,1]=4 1867 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,2,0,0,0,0|1,0,1]=4 1868 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,2,0,0,0,0|2,0,0]=4 1869 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,2,0,0,0,0|2,0,0]=4 1870 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,2,0,0,0,0|2,0,0]=4 1871 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,2,0,0,0,0|2,0,0]=4 1872 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,2,0,0,0,0|2,0,0]=4 1873 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,2,0,0,0,0|2,0,0]=4 1874 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,2,0,0,0,0|2,0,0]=4 1875 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,2,0,0,0,0|2,0,0]=4 1876 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,2,0,0,0,0|2,0,0]=4 1877 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,2,0,0,0,0|2,0,0]=4 1878 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,2,0,0,0,0|1,0,1]=4 1879 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,2,0,0,0,0|1,0,1]=4 1880 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,2,0,0,0,0|1,0,0]=3 1881 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,2,0,0,0,0|1,0,0]=3 1882 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,2,0,0,0,0|2,0,0]=4 1883 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,2,0,0,0,0|2,0,0]=4 1884 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,2,0,0,0,0|1,0,0]=3 1885 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,2,0,0,0,0|1,0,0]=3 1886 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [0,2,0,0,0,0|2,0,0]=4 1887 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [0,2,0,0,0,0|2,0,0]=4 1888 B9R0.47 CCOCSC(C)C(=O)N 62a_100000702099_100000739092 [0,2,0,0,0,0|2,0,0]=4 1889 B9R0.47 CCOCSC(C)C(=O)N 62a_100000739092_100000702099 [0,2,0,0,0,0|2,0,0]=4 1890 B9R0.47 CCOCSC(F)C(=O)N 62a_100000739092_100009813875 [0,2,0,0,0,0|2,0,0]=4 1891 B9R0.47 CCOCSC(F)C(=O)N 62a_100009813875_100000739092 [0,2,0,0,0,0|2,0,0]=4 1892 B9R0.47 CCOCSC(F)C(=O)[O-] 62a_100000739092_100020610796 [0,2,0,0,0,0|1,0,1]=4 1893 B9R0.47 CCOCSC(F)C(=O)[O-] 62a_100020610796_100000739092 [0,2,0,0,0,0|1,0,1]=4 1894 B9R0.47 COCCNC(C)C(=O)C 2230a_100000209980_100009814033 [0,2,0,0,0,0|2,0,0]=4 1895 B9R0.47 COCCNC(C)C(=O)N 2230a_100000209980_100000702099 [0,2,0,0,0,0|2,0,0]=4 1896 B9R0.47 COCCNC(F)C(=O)N 2230a_100000209980_100009813875 [0,2,0,0,0,0|2,0,0]=4 1897 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,2,0,0,0,0|1,0,0]=3 1898 B9R0.47 COCCN[C@H](C)C(=O)N 2230a_100000119354_100011201679 [0,2,0,0,0,0|2,0,0]=4 1899 B9R0.47 COCCN[C@H](C)C(=O)N 34a_100000119354_100011201679 [0,2,0,0,0,0|2,0,0]=4 1900 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [0,2,0,0,0,0|2,0,0]=4 1901 B9R0.47 COCCOC(C)C(=O)N 34a_100000210237_100000702099 [0,2,0,0,0,0|2,0,0]=4 1902 B9R0.47 COCCOC(F)C(=O)N 34a_100000210237_100009813875 [0,2,0,0,0,0|2,0,0]=4 1903 B9R0.47 COCCOC(F)C(=O)[O-] 34a_100000210237_100020610796 [0,2,0,0,0,0|1,0,1]=4 1904 B9R0.47 COCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000233755 [0,2,0,0,0,0|1,0,1]=4 1905 B9R0.47 COCCO[C@H](C)C(=O)N 34a_100000731257_100011201679 [0,2,0,0,0,0|2,0,0]=4 1906 B9R0.47 COCCO[C@H](C)C(=O)N 7a_100000731257_100000233755 [0,2,0,0,0,0|2,0,0]=4 1907 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [0,2,0,0,0,0|2,0,0]=4 1908 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [0,2,0,0,0,0|2,0,0]=4 1909 B9R0.47 COCCSC(C)C(=O)N 62a_100000233755_100000702099 [0,2,0,0,0,0|2,0,0]=4 1910 B9R0.47 COCCSC(C)C(=O)N 62a_100000702099_100000233755 [0,2,0,0,0,0|2,0,0]=4 1911 B9R0.47 COCCSC(F)C(=O)N 62a_100000233755_100009813875 [0,2,0,0,0,0|2,0,0]=4 1912 B9R0.47 COCCSC(F)C(=O)N 62a_100009813875_100000233755 [0,2,0,0,0,0|2,0,0]=4 1913 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100000233755_100020610796 [0,2,0,0,0,0|1,0,1]=4 1914 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100020610796_100000233755 [0,2,0,0,0,0|1,0,1]=4 1915 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,2,0,0,0,0|1,0,0]=3 1916 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,2,0,0,0,0|1,0,0]=3 1917 B9R0.47 CSCCNC(C)C(=O)C 2230a_100020590264_100009814033 [0,2,0,0,0,0|2,0,0]=4 1918 B9R0.47 CSCCNC(C)C(=O)N 2230a_100020590264_100000702099 [0,2,0,0,0,0|2,0,0]=4 1919 B9R0.47 CSCCNC(F)C(=O)N 2230a_100020590264_100009813875 [0,2,0,0,0,0|2,0,0]=4 1920 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,2,0,0,0,0|1,0,0]=3 1921 B9R0.47 CSCCN[C@H](C)C(=O)N 2230a_100000119354_100000751147 [0,2,0,0,0,0|2,0,0]=4 1922 B9R0.47 CSCCN[C@H](C)C(=O)N 34a_100000119354_100000212216 [0,2,0,0,0,0|2,0,0]=4 1923 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [0,2,0,0,0,0|2,0,0]=4 1924 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [0,2,0,0,0,0|2,0,0]=4 1925 B9R0.47 CSCCOC(C)C(=O)N 34a_100000230434_100000702099 [0,2,0,0,0,0|2,0,0]=4 1926 B9R0.47 CSCCOC(C)C(=O)N 7a_100000230434_100000702099 [0,2,0,0,0,0|2,0,0]=4 1927 B9R0.47 CSCCOC(F)C(=O)N 34a_100000230434_100009813875 [0,2,0,0,0,0|2,0,0]=4 1928 B9R0.47 CSCCOC(F)C(=O)N 7a_100000230434_100009813875 [0,2,0,0,0,0|2,0,0]=4 1929 B9R0.47 CSCCOC(F)C(=O)[O-] 34a_100000230434_100020610796 [0,2,0,0,0,0|1,0,1]=4 1930 B9R0.47 CSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000212216 [0,2,0,0,0,0|1,0,1]=4 1931 B9R0.47 CSCCO[C@H](C)C(=O)N 34a_100000731257_100000212216 [0,2,0,0,0,0|2,0,0]=4 1932 B9R0.47 CSCCO[C@H](C)C(=O)N 7a_100000731257_100000212216 [0,2,0,0,0,0|2,0,0]=4 1933 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [0,2,0,0,0,0|2,0,0]=4 1934 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [0,2,0,0,0,0|2,0,0]=4 1935 B9R0.47 CSCCSC(C)C(=O)N 62a_100000212216_100000702099 [0,2,0,0,0,0|2,0,0]=4 1936 B9R0.47 CSCCSC(C)C(=O)N 62a_100000702099_100000751147 [0,2,0,0,0,0|2,0,0]=4 1937 B9R0.47 CSCCSC(F)C(=O)N 62a_100000212216_100009813875 [0,2,0,0,0,0|2,0,0]=4 1938 B9R0.47 CSCCSC(F)C(=O)N 62a_100009813875_100000751147 [0,2,0,0,0,0|2,0,0]=4 1939 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100000212216_100020610796 [0,2,0,0,0,0|1,0,1]=4 1940 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100020610796_100000751147 [0,2,0,0,0,0|1,0,1]=4 1941 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,2,0,0,0,0|1,0,0]=3 1942 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,2,0,0,0,0|1,0,0]=3 1943 B9R0.47 CSCOCC(C)C(=O)C 34a_100000032740_100011218213 [0,2,0,0,0,0|2,0,0]=4 1944 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,2,0,0,0,0|1,0,0]=3 1945 B9R0.47 C[C@@H](NCCCF)C(=O)N 2230a_100000119354_100011934791 [0,2,0,0,0,0|2,0,0]=4 1946 B9R0.47 C[C@@H](NCCCF)C(=O)N 34a_100000119354_100011934791 [0,2,0,0,0,0|2,0,0]=4 1947 B9R0.47 C[C@@H](NCCCO)C(=O)N 2230a_100000119354_100000230001 [0,2,0,0,0,0|2,0,0]=4 1948 B9R0.47 C[C@@H](NCCCO)C(=O)N 34a_100000119354_100000230001 [0,2,0,0,0,0|2,0,0]=4 1949 B9R0.47 C[C@@H](OCCCF)C(=O)N 34a_100000731257_100011934791 [0,2,0,0,0,0|2,0,0]=4 1950 B9R0.47 C[C@@H](OCCCF)C(=O)N 7a_100000731257_100011934791 [0,2,0,0,0,0|2,0,0]=4 1951 B9R0.47 C[C@@H](OCCCO)C(=O)N 34a_100000731257_100000230001 [0,2,0,0,0,0|2,0,0]=4 1952 B9R0.47 C[C@@H](OCCCO)C(=O)N 7a_100000731257_100011215043 [0,2,0,0,0,0|2,0,0]=4 1953 B9R0.47 C[C@H](NCCC#N)C(=O)O 269956a_100000743915_100011215226 [0,2,0,0,0,0|1,0,1]=4 1954 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,2,0,0,0,0|1,0,0]=3 1955 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,2,0,0,0,0|1,0,0]=3 1956 B9R0.47 C[C@H](OCCCF)C(=O)[O-] 7a_217856618621_100011934791 [0,2,0,0,0,0|1,0,1]=4 1957 B9R0.47 C[C@H](OCCCO)C(=O)[O-] 7a_217856618621_100011215043 [0,2,0,0,0,0|1,0,1]=4 1958 B9R0.47 N#CCNCC(F)C(=O)O 269956a_100000084737_100011215382 [0,2,0,0,0,0|1,0,1]=4 1959 B9R0.47 NC(=O)C(F)NCCCF 2230a_100015189416_100009813875 [0,2,0,0,0,0|2,0,0]=4 1960 B9R0.47 NC(=O)C(F)NCCCF 34a_100015189416_100009813875 [0,2,0,0,0,0|2,0,0]=4 1961 B9R0.47 NC(=O)C(F)OCCCBr 34a_100011217188_100009813875 [0,2,0,0,0,0|2,0,0]=4 1962 B9R0.47 NC(=O)C(F)OCCCCl 34a_100000230001_100009813875 [0,2,0,0,0,0|2,0,0]=4 1963 B9R0.47 NC(=O)C(F)OCCCF 34a_100000759539_100009813875 [0,2,0,0,0,0|2,0,0]=4 1964 B9R0.47 NC(=O)C(F)SCCCF 62a_100009813875_100011934791 [0,2,0,0,0,0|2,0,0]=4 1965 B9R0.47 NC(=O)C(F)SCCCF 62a_100011934791_100009813875 [0,2,0,0,0,0|2,0,0]=4 1966 B9R0.47 NC(=O)C(F)SCCCO 62a_100009813875_100011215043 [0,2,0,0,0,0|2,0,0]=4 1967 B9R0.47 NC(=O)C(F)SCCCO 62a_100011215043_100009813875 [0,2,0,0,0,0|2,0,0]=4 1968 B9R0.47 NC(=O)[C@@H](N)COCC=O 34a_100000729942_200009817547 [0,2,0,0,0,0|1,0,1]=4 1969 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,2,0,0,0,0|1,0,0]=3 1970 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,2,0,0,0,0|1,0,0]=3 1971 B9R0.47 NCCCOC(F)C(=O)N 34a_100000182051_100009813875 [0,2,0,0,0,0|2,0,0]=4 1972 B9R0.47 NCCCOC(F)C(=O)[O-] 34a_100000182051_100020610796 [0,2,0,0,0,0|1,0,1]=4 1973 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,2,0,0,0,0|1,0,0]=3 1974 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,2,0,0,0,0|1,0,0]=3 1975 B9R0.47 O=C([O-])C(F)NCCCF 34a_100015189416_100020610796 [0,2,0,0,0,0|1,0,1]=4 1976 B9R0.47 O=C([O-])C(F)OCCCBr 34a_100011217188_100020610796 [0,2,0,0,0,0|1,0,1]=4 1977 B9R0.47 O=C([O-])C(F)OCCCCl 34a_100000230001_100020610796 [0,2,0,0,0,0|1,0,1]=4 1978 B9R0.47 O=C([O-])C(F)OCCCF 34a_100000759539_100020610796 [0,2,0,0,0,0|1,0,1]=4 1979 B9R0.47 O=C([O-])C(F)SCCCF 62a_100011934791_100020610796 [0,2,0,0,0,0|1,0,1]=4 1980 B9R0.47 O=C([O-])C(F)SCCCF 62a_100020610796_100011934791 [0,2,0,0,0,0|1,0,1]=4 1981 B9R0.47 O=C([O-])C(F)SCCCO 62a_100011215043_100020610796 [0,2,0,0,0,0|1,0,1]=4 1982 B9R0.47 O=C([O-])C(F)SCCCO 62a_100020610796_100011215043 [0,2,0,0,0,0|1,0,1]=4 1983 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,2,0,0,0,0|1,0,1]=4 1984 B9R0.51 CC(C)(CNCF)C(=O)O 269956a_100000693527_100015361967 [0,2,0,0,0,0|2,0,0]=4 1985 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [0,2,0,0,0,0|2,0,0]=4 1986 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [0,2,0,0,0,0|2,0,0]=4 1987 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [0,2,0,0,0,0|2,0,0]=4 1988 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [0,2,0,0,0,0|2,0,0]=4 1989 B9R0.51 CCCCC(F)(F)C(=O)C 1458a_100000100317_200000210301 [0,2,0,0,0,0|2,0,0]=4 1990 B9R0.51 CCCCC(F)(F)C(=O)[13CH3] 1458a_100000100317_200025704644 [0,2,0,0,0,0|2,0,0]=4 1991 B9R0.51 CCCNC(C)(C)C(=O)N 2230a_100000743658_100000210303 [0,2,0,0,0,0|2,0,0]=4 1992 B9R0.51 CCCNC(C)(C)C(=O)N 34a_100000743658_100000210303 [0,2,0,0,0,0|2,0,0]=4 1993 B9R0.51 CCCOC(C)(C)C(=O)C 34a_100000747739_100000210303 [0,2,0,0,0,0|2,0,0]=4 1994 B9R0.51 CCCOC(C)(C)C(=O)C 7a_100000747739_100000210303 [0,2,0,0,0,0|2,0,0]=4 1995 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100000210258_100000702505 [0,2,0,0,0,0|2,0,0]=4 1996 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100011626353_100000210303 [0,2,0,0,0,0|2,0,0]=4 1997 B9R0.51 CCCOC(C)(C)C(=O)N 7a_100011626353_100000210303 [0,2,0,0,0,0|2,0,0]=4 1998 B9R0.51 CCCOC(F)(F)C(=O)[O-] 34a_100000210258_100020612412 [0,2,0,0,0,0|1,0,1]=4 1999 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000075568_100000210303 [0,2,0,0,0,0|2,0,0]=4 2000 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000210303_100000075568 [0,2,0,0,0,0|2,0,0]=4 2001 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000210303_100000702505 [0,2,0,0,0,0|2,0,0]=4 2002 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000702505_100000210303 [0,2,0,0,0,0|2,0,0]=4 2003 B9R0.51 CCCSC(F)(F)C(=O)N 62a_100000210303_100009811971 [0,2,0,0,0,0|2,0,0]=4 2004 B9R0.51 CCCSC(F)(F)C(=O)N 62a_100009811971_100000210303 [0,2,0,0,0,0|2,0,0]=4 2005 B9R0.51 CCCSC(F)(F)C(=O)[O-] 62a_100000210303_100000745680 [0,2,0,0,0,0|1,0,1]=4 2006 B9R0.51 CCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210303 [0,2,0,0,0,0|1,0,1]=4 2007 B9R0.51 CCNCC(C)(C)C(=O)N 2230a_100000740840_100000210202 [0,2,0,0,0,0|2,0,0]=4 2008 B9R0.51 CCNCC(C)(C)C(=O)N 34a_100000740840_100000210202 [0,2,0,0,0,0|2,0,0]=4 2009 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [0,2,0,0,0,0|1,0,0]=3 2010 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [0,2,0,0,0,0|1,0,0]=3 2011 B9R0.51 CCNOC(C)(C)C(=O)O 269956a_100016989451_100000210202 [0,2,0,0,0,0|2,0,0]=4 2012 B9R0.51 CCOCC(C)(C)C(=O)N 34a_100121572206_200009895572 [0,2,0,0,0,0|2,0,0]=4 2013 B9R0.51 CCSCC(C)(C)C(=O)N 62a_100000210202_200009895572 [0,2,0,0,0,0|2,0,0]=4 2014 B9R0.51 CCSCC(C)(C)C(=O)N 62a_200009895572_100000210202 [0,2,0,0,0,0|2,0,0]=4 2015 B9R0.51 O=C(O)C(F)(F)CNCF 269956a_100000734215_100015361967 [0,2,0,0,0,0|2,0,0]=4 2016 B9R0.11 CC(=O)C(C)(O)CC(C)C 1458a_100011434877_200000210301 [0,2,0,0,0,0|2,0,0]=4 2017 B9R0.11 CC(C)CC(C)(O)C(=O)[13CH3] 1458a_100011434877_200025704644 [0,2,0,0,0,0|2,0,0]=4 2018 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_100000070787_200000040151 [0,2,0,0,0,0|2,0,0]=4 2019 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_200000724995_200000210301 [0,2,0,0,0,0|2,0,0]=4 2020 B9R0.74 CCCC(C)(CC)C(=O)[13CH3] 1458a_200000724995_200025704644 [0,2,0,0,0,0|2,0,0]=4 2021 B9R0.74 CCNC(C)(CC)C(=O)O 269956a_100025756313_100000210202 [0,2,0,0,0,0|2,0,0]=4 2022 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [0,2,0,0,0,0|2,0,0]=4 2023 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [0,2,0,0,0,0|2,0,0]=4 2024 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [0,2,0,0,0,0|2,0,0]=4 2025 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [0,2,0,0,0,0|2,0,0]=4 2026 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [0,2,0,0,0,0|2,0,0]=4 2027 B9R0.15 CCCC(OCF)C(=O)N 34a_100011626294_100015361967 [0,2,0,0,0,0|2,0,0]=4 2028 B9R0.15 CCCC(OCF)C(=O)N 7a_100011626294_100015361967 [0,2,0,0,0,0|2,0,0]=4 2029 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [0,2,0,0,0,0|1,0,0]=3 2030 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [0,2,0,0,0,0|1,0,0]=3 2031 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [0,2,0,0,0,0|0,0,0]=2 2032 B9R0.15 CCC[C@H](NCF)C(=O)N 34a_100000729256_100015361967 [0,2,0,0,0,0|1,0,0]=3 2033 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [0,2,0,0,0,0|0,0,0]=2 2034 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [0,2,0,0,0,0|1,0,0]=3 2035 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [0,2,0,0,0,0|1,0,0]=3 2036 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [0,2,0,0,0,0|1,0,0]=3 2037 B9R0.15 COC[C@@H](NCF)C(=O)O 269956a_100011998655_100015361967 [0,2,0,0,0,0|1,0,0]=3 2038 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [0,2,0,0,0,0|1,0,0]=3 2039 B9R0.15 C[Se]C[C@H](NCF)C(=O)O 269956a_100015254316_100015361967 [0,2,0,0,0,0|1,0,0]=3 2040 B9R0.33 CCNC(C(=O)N)C(=O)N 2230a_100000025885_100000210202 [0,2,0,0,0,0|2,0,0]=4 2041 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [0,2,0,0,0,0|2,0,0]=4 2042 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [0,2,0,0,0,0|2,0,0]=4 2043 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [0,2,0,0,0,0|2,0,0]=4 2044 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 2230a_100016989234_200025704644 [0,2,0,0,0,0|1,0,0]=3 2045 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 34a_100016989234_200025704644 [0,2,0,0,0,0|1,0,0]=3 2046 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,2,0,0,0,0|2,0,0]=4 2047 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,2,0,0,0,0|2,0,0]=4 2048 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [0,2,0,0,0,0|1,0,0]=3 2049 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [0,2,0,0,0,0|1,0,0]=3 2050 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,2,0,0,0,0|1,0,0]=3 2051 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,2,0,0,0,0|1,0,0]=3 2052 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,2,0,0,0,0|2,0,0]=4 2053 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|2,0,0]=4 2054 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|2,0,0]=4 2055 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|2,0,0]=4 2056 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|2,0,0]=4 2057 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|2,0,0]=4 2058 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|2,0,0]=4 2059 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|2,0,0]=4 2060 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [1,0,0,1,0,0|2,0,0]=4 2061 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [1,0,0,1,0,0|2,0,0]=4 2062 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [1,0,0,1,0,0|2,0,0]=4 2063 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [1,0,0,1,0,0|2,0,0]=4 2064 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [1,0,0,1,0,0|2,0,0]=4 2065 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [1,0,0,1,0,0|2,0,0]=4 2066 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|1,0,0]=3 2067 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|1,0,0]=3 2068 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|2,0,0]=4 2069 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|2,0,0]=4 2070 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|2,0,0]=4 2071 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 2072 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 2073 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|2,0,0]=4 2074 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|1,0,0]=3 2075 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,0,0,1,0,1|2,0,0]=4 2076 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,0,0,1,0,1|2,0,0]=4 2077 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,0,0,1,0,1|2,0,0]=4 2078 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,0,0,1,0,1|2,0,0]=4 2079 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,0,0,1,0,1|2,0,0]=4 2080 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,0,0,1,0,1|2,0,0]=4 2081 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,0,0,1,0,1|2,0,0]=4 2082 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,0,0,1,0,1|2,0,0]=4 2083 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,0,0,1,0,1|2,0,0]=4 2084 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,0,0,1,0,1|2,0,0]=4 2085 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,0,0,1,0,1|2,0,0]=4 2086 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,0,0,1,0,1|2,0,0]=4 2087 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,0,0,1,0,1|2,0,0]=4 2088 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,0,0,1,0,1|2,0,0]=4 2089 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,0,0,1,0,1|2,0,0]=4 2090 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,0,0,1,0,1|2,0,0]=4 2091 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,1,0,1|2,0,0]=4 2092 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,1,0,1|2,0,0]=4 2093 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,1,0,1|2,0,0]=4 2094 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,1,0,1|2,0,0]=4 2095 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,1,0,1|2,0,0]=4 2096 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,1,0,1|2,0,0]=4 2097 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,1,0,1|2,0,0]=4 2098 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,1,0,1|2,0,0]=4 2099 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,0,1,0,1|2,0,0]=4 2100 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,0,0,1,0,1|2,0,0]=4 2101 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,0,0,1,0,1|2,0,0]=4 2102 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,0,0,1,0,1|2,0,0]=4 2103 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,0,0,1,0,1|2,0,0]=4 2104 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,0,0,1,0,1|2,0,0]=4 2105 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,0,1,0,1|2,0,0]=4 2106 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,0,0,1,0,1|2,0,0]=4 2107 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,0,0,1,0,1|2,0,0]=4 2108 B9R1.53 CN1CC(C1)CC(=O)O 269956a_100016993960_200000210301 [0,0,0,1,0,1|2,0,0]=4 2109 B9R1.53 [13CH3]N1CC(C1)CC(=O)O 269956a_100016993960_200025704644 [0,0,0,1,0,1|2,0,0]=4 2110 B9R1.137 CC(=O)NC(C)C1CC1 11a_100000700016_100015343762 [0,0,0,1,0,1|2,0,0]=4 2111 B9R1.137 CC(=O)NC(C)C1CC1 1626a_100000700016_100015343762 [0,0,0,1,0,1|2,0,0]=4 2112 B9R1.137 CC(=O)NC(C)C1CC1 240690a_100000700016_100015343762 [0,0,0,1,0,1|2,0,0]=4 2113 B9R1.137 CC(=O)NC(C)C1CC1 527a_100000700016_100103153847 [0,0,0,1,0,1|2,0,0]=4 2114 B9R1.137 CN(CC(=O)O)C1CC1 269956a_100000746989_100000211595 [0,0,0,1,0,1|2,0,0]=4 2115 B9R1.171 CC(=O)CC1(CCC1)C 1458a_100000070787_100000726658 [0,0,0,1,0,1|2,0,0]=4 2116 B9R1.171 CC(=O)NC1(CCC1)C 11a_100000692455_100015343762 [0,0,0,1,0,1|2,0,0]=4 2117 B9R1.171 CC(=O)NC1(CCC1)C 1626a_100000692455_100015343762 [0,0,0,1,0,1|2,0,0]=4 2118 B9R1.171 CC(=O)NC1(CCC1)C 240690a_100000692455_100015343762 [0,0,0,1,0,1|2,0,0]=4 2119 B9R1.171 CC(=O)NC1(CCC1)C 527a_100000692455_100103153847 [0,0,0,1,0,1|2,0,0]=4 2120 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,1,0,1,0,0|2,0,0]=4 2121 B9R1.101 CN(C(=O)CO)C1CC1 240690a_100000226674_100000210174 [0,1,0,1,0,0|2,0,0]=4 2122 B9R1.101 CN(C(=O)CO)C1CC1 527a_100000226674_100000210174 [0,1,0,1,0,0|2,0,0]=4 2123 B9R1.110 CC(=O)C(C)N1CCC1 269982a_100000754969_100009814033 [0,1,0,1,0,0|2,0,0]=4 2124 B9R1.110 CC(C(=O)N)N1CCC1 269982a_100000754969_100000184083 [0,1,0,1,0,0|2,0,0]=4 2125 B9R1.110 NC(=O)C(F)N1CCC1 269982a_100000754969_100009813875 [0,1,0,1,0,0|2,0,0]=4 2126 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [0,1,0,1,0,0|2,0,0]=4 2127 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,1,0,1,0,0|2,0,0]=4 2128 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,1,0,0|2,0,0]=4 2129 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,1,0,0|2,0,0]=4 2130 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,1,0,0|2,0,0]=4 2131 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,1,0,0|2,0,0]=4 2132 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,1,0,1,0,0|2,0,0]=4 2133 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,1,0,1,0,0|2,0,0]=4 2134 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,1,0,1,0,0|2,0,0]=4 2135 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,1,0,1,0,0|2,0,0]=4 2136 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,1,0,1,0,0|2,0,0]=4 2137 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,1,0,1,0,0|2,0,0]=4 2138 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,1,0,1,0,0|2,0,0]=4 2139 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,1,0,1,0,0|2,0,0]=4 2140 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,1,0,0|2,0,0]=4 2141 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,1,0,0|2,0,0]=4 2142 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,1,0,0|2,0,0]=4 2143 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,1,0,0|2,0,0]=4 2144 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,1,0,1,0,0|2,0,0]=4 2145 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,1,0,1,0,0|2,0,0]=4 2146 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,1,0,0|2,0,0]=4 2147 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,1,0,0|1,0,0]=3 2148 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,1,0,1,0,0|2,0,0]=4 2149 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,1,0,0|2,0,0]=4 2150 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,1,0,0|2,0,0]=4 2151 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,1,0,1,0,0|1,0,0]=3 2152 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,1,0,1,0,0|1,0,0]=3 2153 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [0,1,0,1,0,0|1,0,1]=4 2154 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,1,0,1,0,0|1,0,0]=3 2155 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,1,0,1,0,0|1,0,0]=3 2156 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,1,0,1,0,0|1,0,0]=3 2157 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,1,0,1,0,0|1,0,0]=3 2158 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,1,0,1,0,0|1,0,0]=3 2159 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,1,0,1,0,0|2,0,0]=4 2160 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,1,0,1,0,0|2,0,0]=4 2161 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,1,0,1,0,0|2,0,0]=4 2162 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,1,0,1,0,0|2,0,0]=4 2163 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,1,0,1,0,0|2,0,0]=4 2164 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,1,0,1,0,0|2,0,0]=4 2165 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [0,1,0,1,0,0|1,0,1]=4 2166 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,1,0,1,0,0|2,0,0]=4 2167 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,1,0,1,0,0|2,0,0]=4 2168 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,1,0,1,0,0|2,0,0]=4 2169 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,1,0,1,0,0|2,0,0]=4 2170 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,1,0,1,0,0|1,0,0]=3 2171 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,1,0,1,0,0|1,0,0]=3 2172 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,1,0,1,0,0|2,0,0]=4 2173 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,1,0,1,0,0|2,0,0]=4 2174 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [0,1,0,1,0,0|1,0,1]=4 2175 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,1,0,1,0,0|2,0,0]=4 2176 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,1,0,1,0,0|2,0,0]=4 2177 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,1,0,1,0,0|2,0,0]=4 2178 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,1,0,1,0,0|2,0,0]=4 2179 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,1,0,1,0,0|2,0,0]=4 2180 B9R1.33 CCN[C@@H]1CONC1=O 2230a_100000765999_100000210202 [0,1,0,1,0,0|2,0,0]=4 2181 B9R1.33 CCN[C@@H]1CONC1=O 34a_100000765999_100000210202 [0,1,0,1,0,0|2,0,0]=4 2182 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,1,0,1,0,0|2,0,0]=4 2183 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,1,0,1,0,0|2,0,0]=4 2184 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,1,0,1,0,0|2,0,0]=4 2185 B9R1.82 CC1CC(C1)C(=O)CF 1458a_100000686124_100015361967 [0,1,0,1,0,0|2,0,0]=4 2186 B9R1.82 CC1CN(C1)C(=O)CO 240690a_100000702820_100000210174 [0,1,0,1,0,0|2,0,0]=4 2187 B9R1.82 CC1CN(C1)C(=O)CO 527a_100000702820_100000210174 [0,1,0,1,0,0|2,0,0]=4 2188 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [0,1,0,1,0,0|2,0,0]=4 2189 B9R1.82 CNC(=O)C1CC(C1)C 11a_106832991635_100000686124 [0,1,0,1,0,0|2,0,0]=4 2190 B9R1.82 CNC(=O)C1CC(C1)C 1626a_100102657272_100000686124 [0,1,0,1,0,0|2,0,0]=4 2191 B9R1.82 CNC(=O)C1CC(C1)C 240690a_100102657272_100000686124 [0,1,0,1,0,0|2,0,0]=4 2192 B9R1.82 CNC(=O)C1CC(C1)C 527a_100102657272_100000686124 [0,1,0,1,0,0|2,0,0]=4 2193 B9R1.82 COC(=O)C1CN(C1)C 269982a_100015188540_200000210301 [0,1,0,1,0,0|2,0,0]=4 2194 B9R1.82 COC(=O)C1CN(C1)[13CH3] 269982a_100015188540_200025704644 [0,1,0,1,0,0|2,0,0]=4 2195 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,1,0,1,0,0|2,0,0]=4 2196 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [0,1,0,1,0,0|2,0,0]=4 2197 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,1,0,1,0,0|2,0,0]=4 2198 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,1,0,1,0,0|2,0,0]=4 2199 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,1,0,1,0,0|2,0,0]=4 2200 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,1,0,1,0,0|2,0,0]=4 2201 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [0,1,0,1,0,0|2,0,0]=4 2202 B9R1.186 CC1(CCC1)C(=O)CF 1458a_100000684636_100015361967 [0,1,0,1,0,0|2,0,0]=4 2203 B9R1.186 CCC(=O)C1(CCC1)C 1458a_100000684636_100000210202 [0,1,0,1,0,0|2,0,0]=4 2204 B9R1.186 CCC(=O)C1(CCC1)O 1458a_100000242746_100000210202 [0,1,0,1,0,0|2,0,0]=4 2205 B9R1.186 CNC(=O)C1(CCC1)C 11a_106832991635_100000684636 [0,1,0,1,0,0|2,0,0]=4 2206 B9R1.186 CNC(=O)C1(CCC1)C 1626a_100102657272_100000684636 [0,1,0,1,0,0|2,0,0]=4 2207 B9R1.186 CNC(=O)C1(CCC1)C 240690a_100102657272_100000684636 [0,1,0,1,0,0|2,0,0]=4 2208 B9R1.186 CNC(=O)C1(CCC1)C 527a_100102657272_100000684636 [0,1,0,1,0,0|2,0,0]=4 2209 B9R1.186 CNC(=O)C1(CCC1)O 240690a_100102657272_100000242746 [0,1,0,1,0,0|2,0,0]=4 2210 B9R1.186 O=C(CF)C1(CCC1)O 1458a_100000242746_100015361967 [0,1,0,1,0,0|2,0,0]=4 2211 B9R1.202 CO[C@@]1(CCC[C@H]1N)C 34a_100015977457_200000210301 [0,1,0,1,0,0|1,0,1]=4 2212 B9R1.202 C[C@]1(CCC[C@H]1N)O[13CH3] 34a_100015977457_200025704644 [0,1,0,1,0,0|1,0,1]=4 2213 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,1,0,1,0,0|2,0,0]=4 2214 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,1,0,1,0,0|2,0,0]=4 2215 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,1,0,1,0,0|2,0,0]=4 2216 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,1,0,1,0,0|2,0,0]=4 2217 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,1,0,1,0,0|2,0,0]=4 2218 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,1,0,1,0,0|2,0,0]=4 2219 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,1,0,1,0,0|2,0,0]=4 2220 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,1,0,1,0,0|2,0,0]=4 2221 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,1,0,1,0,0|2,0,0]=4 2222 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,1,0,1,0,0|2,0,0]=4 2223 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,1,0,1,0,0|2,0,0]=4 2224 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,1,0,1,0,0|2,0,0]=4 2225 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,1,0,1,0,0|2,0,0]=4 2226 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,1,0,1,0,0|2,0,0]=4 2227 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,1,0,1,0,0|2,0,0]=4 2228 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,1,0,1,0,0|2,0,0]=4 2229 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,1,0,1,0,0|2,0,0]=4 2230 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,1,0,1,0,0|2,0,0]=4 2231 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,1,0,1,0,0|1,0,1]=4 2232 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,1,0,1,0,0|2,0,0]=4 2233 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,1,0,1,0,0|2,0,0]=4 2234 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,1,0,1,0,0|2,0,0]=4 2235 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,1,0,1,0,0|2,0,0]=4 2236 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,1,0,1,0,0|2,0,0]=4 2237 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,1,0,1,0,0|2,0,0]=4 2238 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,1,0,1,0,0|1,0,1]=4 2239 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,1,0,1,0,0|2,0,0]=4 2240 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,1,0,1,0,0|2,0,0]=4 2241 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,1,0,1,0,0|2,0,0]=4 2242 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,1,0,1,0,0|2,0,0]=4 2243 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,1,0,1,0,0|2,0,0]=4 2244 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,1,0,1,0,0|2,0,0]=4 2245 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,1,0,1,0,0|2,0,0]=4 2246 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,1,0,1,0,0|2,0,0]=4 2247 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,1,0,1,0,0|2,0,0]=4 2248 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,1,0,1,0,0|2,0,0]=4 2249 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,1,0,1,0,0|2,0,0]=4 2250 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,1,0,1,0,0|2,0,0]=4 2251 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,1,0,1,0,0|2,0,0]=4 2252 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,1,0,1,0,0|2,0,0]=4 2253 B9R1.95 CCN1CC(C1)C(=O)N 34a_100025753142_100000210202 [0,1,0,1,0,0|2,0,0]=4 2254 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,1,0,1,0,0|1,0,0]=3 2255 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [0,1,0,1,0,0|2,0,0]=4 2256 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [0,1,0,1,0,0|2,0,0]=4 2257 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,1,0,1,0,0|2,0,0]=4 2258 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,1,0,1,0,0|1,0,0]=3 2259 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [0,1,0,1,0,0|2,0,0]=4 2260 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [0,1,0,1,0,0|2,0,0]=4 2261 B9R1.112 CC(NC1CC1)C(=O)N 34a_100000212008_100000702099 [0,1,0,1,0,0|2,0,0]=4 2262 B9R1.112 CC(SC1CC1)C(=O)N 62a_100000702099_100000211595 [0,1,0,1,0,0|2,0,0]=4 2263 B9R1.112 C[C@@H](NC1CC1)C(=O)N 34a_100000119354_100000211595 [0,1,0,1,0,0|2,0,0]=4 2264 B9R1.112 C[C@@H](OC1CC1)C(=O)N 34a_100000731257_100000211595 [0,1,0,1,0,0|2,0,0]=4 2265 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,1,0,1,0,0|1,0,0]=3 2266 B9R1.112 NC(=O)C(F)NC1CC1 34a_100000212008_100009813875 [0,1,0,1,0,0|2,0,0]=4 2267 B9R1.112 NC(=O)C(F)SC1CC1 62a_100009813875_100000211595 [0,1,0,1,0,0|2,0,0]=4 2268 B9R1.112 O=C([O-])C(F)NC1CC1 34a_100000212008_100020610796 [0,1,0,1,0,0|1,0,1]=4 2269 B9R1.112 O=C([O-])C(F)SC1CC1 62a_100020610796_100000211595 [0,1,0,1,0,0|1,0,1]=4 2270 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,1,0,1,0,0|2,0,0]=4 2271 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,1,0,1,0,0|2,0,0]=4 2272 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,1,0,1,0,0|2,0,0]=4 2273 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,1,0,1,0,0|2,0,0]=4 2274 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,1,0,1,0,0|2,0,0]=4 2275 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,1,0,1,0,0|2,0,0]=4 2276 B9R1.179 CCNC1(CC1)C(=O)O 269956a_100000746478_100000210202 [0,1,0,1,0,0|2,0,0]=4 2277 B9R1.179 CNCC1(CC1)C(=O)O 269956a_100000703410_200000210301 [0,1,0,1,0,0|2,0,0]=4 2278 B9R1.179 [13CH3]NCC1(CC1)C(=O)O 269956a_100000703410_200025704644 [0,1,0,1,0,0|2,0,0]=4 2279 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_200000210301 [0,1,0,1,0,0|1,0,1]=4 2280 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_200000210301 [0,1,0,1,0,0|1,0,1]=4 2281 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 2230a_100015977457_200025704644 [0,1,0,1,0,0|1,0,1]=4 2282 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 34a_100015977457_200025704644 [0,1,0,1,0,0|1,0,1]=4 2283 B9R1.119 CC(=O)C1(CCC1)C#N 1458a_100000752263_200000210301 [0,1,0,1,0,0|1,0,1]=4 2284 B9R1.119 CCC1(CCC1)C(=O)C 1458a_100000685558_200000210301 [0,1,0,1,0,0|2,0,0]=4 2285 B9R1.119 CCC1(CCC1)C(=O)[13CH3] 1458a_100000685558_200025704644 [0,1,0,1,0,0|2,0,0]=4 2286 B9R1.119 CNC1(CCC1)C(=O)O 269956a_100000688724_200000210301 [0,1,0,1,0,0|0,0,0]=2 2287 B9R1.119 [13CH3]C(=O)C1(CCC1)C#N 1458a_100000752263_200025704644 [0,1,0,1,0,0|1,0,1]=4 2288 B9R1.119 [13CH3]NC1(CCC1)C(=O)O 269956a_100000688724_200025704644 [0,1,0,1,0,0|0,0,0]=2 2289 B9R1.164 CC(=O)C1CC(C1)(C)C 1458a_100000695498_200000210301 [0,1,0,1,0,0|2,0,0]=4 2290 B9R1.164 CC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_200000210301 [0,1,0,1,0,0|2,0,0]=4 2291 B9R1.164 CC1(CC(C1)C(=O)[13CH3])C 1458a_100000695498_200025704644 [0,1,0,1,0,0|2,0,0]=4 2292 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)[13CH3])O 1458a_100010742821_200025704644 [0,1,0,1,0,0|2,0,0]=4 2293 B9R2.145 CC(=O)C12CC(C1)C2 1458a_100000137470_200000210301 [0,0,0,2,0,0|2,0,0]=4 2294 B9R2.145 [13CH3]C(=O)C12CC(C1)C2 1458a_100000137470_200025704644 [0,0,0,2,0,0|2,0,0]=4 2295 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,0,0,0,0,2|2,0,0]=4 2296 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [0,0,0,0,0,2|2,0,0]=4 2297 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [0,0,0,0,0,2|2,0,0]=4 2298 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,0,0,0,0,2|1,0,0]=3 2299 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,0,0,0,0,2|2,0,0]=4 2300 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [0,0,0,0,0,2|2,0,0]=4 2301 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [0,0,0,0,0,2|2,0,0]=4 2302 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [0,0,0,0,0,2|1,0,1]=4 2303 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [0,0,0,0,0,2|2,0,0]=4 2304 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [0,0,0,0,0,2|2,0,0]=4 2305 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [0,0,0,0,0,2|1,0,1]=4 2306 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [0,0,0,0,0,2|1,0,1]=4 2307 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,0,0,0,0,2|2,0,0]=4