0 B7R0.5 C#CCN(C)C(=O)C 11a_100000225692_100015343762 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.5 C#CCN(C)C(=O)C 1626a_100000225692_100015343762 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.5 C#CCN(C)C(=O)C 527a_100000225692_100103153847 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.5 CC(=O)N(C)CC#N 11a_100000748184_100015343762 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.5 CC(=O)N(C)CC#N 1626a_100000748184_100015343762 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [0,0,0,0,0,0|4,0,0]=4 28 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,0,0,0,0,0|1,0,0]=1 31 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 34a_100000039676_200025704644 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 7a_100000039676_200025704644 [0,0,0,0,0,0|2,0,1]=3 33 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,0,0,0,0,0|3,0,0]=3 34 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,0,0,0,0,0|1,0,2]=3 36 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,0,0,0,0,0|1,0,2]=3 37 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,0,0,0,0,0|1,0,3]=4 38 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,0,0,0,0,0|2,0,2]=4 39 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,0,0,0,0,0|2,0,2]=4 40 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,0,0,0,0,0|1,0,0]=1 41 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,0,0,0,0,0|1,0,0]=1 42 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,0,0,0,0,0|1,0,0]=1 43 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,0,0,0,0,0|3,0,0]=3 44 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,0,0,0,0,0|3,0,0]=3 45 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,0,0,0,0,0|2,0,0]=2 47 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,0,0,0,0,0|2,0,0]=2 48 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,0,0,0,0,0|2,0,0]=2 49 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,0,0,0,0,0|2,0,0]=2 50 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,0,0,0,0,0|2,0,0]=2 58 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,0,0,0,0,0|2,0,0]=2 59 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,0,0,0,0,0|3,0,1]=4 62 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,0,0,0,0,0|2,0,0]=2 63 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,0,0,0,0,0|2,0,0]=2 64 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,0,0,0,0,0|3,0,0]=3 66 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,0,0,0,0,0|1,0,0]=1 67 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,0,0,0,0,0|2,0,0]=2 68 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,0,0,0,0,0|2,0,0]=2 69 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,0,0,0,0,0|2,0,0]=2 70 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,0,0,0,0,0|2,0,0]=2 71 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,0,0,0,0,0|2,0,0]=2 72 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,0,0,0,0,0|2,0,0]=2 73 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,0,0,0,0,0|3,0,0]=3 75 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,0,0,0,0,0|2,0,1]=3 76 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,0,0,0,0,0|1,0,1]=2 77 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,0,0,0,0,0|2,0,0]=2 78 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,0,0,0,0,0|2,0,0]=2 79 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,0,0,0,0,0|2,0,0]=2 80 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,0,0,0,0,0|2,0,0]=2 81 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,0,0,0,0,0|2,0,0]=2 82 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,0,0,0,0,0|2,0,0]=2 83 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,0,0,0,0,0|2,0,0]=2 84 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,0,0,0,0,0|2,0,0]=2 85 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,0,0,0,0,0|3,0,0]=3 86 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,0,0,0,0,0|3,0,0]=3 87 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,0,0,0,0,0|2,0,1]=3 88 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,0,0,0,0,0|2,0,1]=3 89 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,0,0,0,0,0|3,0,1]=4 90 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,0,0,0,0,0|1,0,0]=1 91 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,0,0,0,0,0|2,0,0]=2 92 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,0,0,0,0,0|3,0,1]=4 93 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,0,0,0,0,0|3,0,1]=4 94 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,0,0,0,0,0|3,0,1]=4 95 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,0,0,0,0,0|2,0,0]=2 96 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,0,0,0,0,0|2,0,0]=2 97 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,0,0,0,0,0|2,0,0]=2 98 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,0,0,0,0,0|2,0,0]=2 99 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,0,0,0,0,0|2,0,0]=2 100 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,0,0,0,0,0|4,0,0]=4 101 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,0,0,0,0,0|4,0,0]=4 102 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,0,0,0,0,0|4,0,0]=4 103 B7R0.5 COCC(C)[N+](=O)[O-] 34a_100000039676_200000210301 [0,0,0,0,0,0|2,0,1]=3 104 B7R0.5 COCC(C)[N+](=O)[O-] 7a_100000039676_200000210301 [0,0,0,0,0,0|2,0,1]=3 105 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,0,0,0,0,0|3,0,0]=3 106 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,0,0,0,0,0|3,0,1]=4 107 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,0,0,0,0,0|3,0,1]=4 108 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,0,0,0,0,0|2,0,0]=2 109 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,0,0,0,0,0|2,0,0]=2 110 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [0,0,0,0,0,0|4,0,0]=4 111 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,0,0,0,0,0|3,0,0]=3 112 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,0,0,0,0,0|3,0,0]=3 113 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,0,0,0,0,0|3,0,0]=3 114 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,0,0,0,0,0|2,0,0]=2 115 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,0,0,0,0,0|2,0,1]=3 116 B7R0.5 NC(=O)C(F)SCF 62a_100009813875_100015361967 [0,0,0,0,0,0|4,0,0]=4 117 B7R0.5 NC(=O)C(F)SCF 62a_100015361967_100009813875 [0,0,0,0,0,0|4,0,0]=4 118 B7R0.5 O=C([O-])C(F)SCF 62a_100015361967_100020610796 [0,0,0,0,0,0|3,0,1]=4 119 B7R0.5 O=C([O-])C(F)SCF 62a_100020610796_100015361967 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,0,0,0,0,0|2,0,0]=2 121 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,0,0,0,0,0|3,0,0]=3 122 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [1,0,0,0,0,0|2,0,1]=4 126 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,0,0,0,0|2,0,1]=4 129 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [1,0,0,0,0,0|2,0,0]=3 131 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [1,0,0,0,0,0|2,0,0]=3 132 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [1,0,0,0,0,0|2,0,0]=3 133 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,0,0,0,0,0|2,0,0]=3 134 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [1,0,0,0,0,0|3,0,0]=4 135 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [1,0,0,0,0,0|2,0,0]=3 136 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [1,0,0,0,0,0|3,0,0]=4 137 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [1,0,0,0,0,0|3,0,0]=4 138 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [1,0,0,0,0,0|3,0,0]=4 139 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [1,0,0,0,0,0|3,0,0]=4 140 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [1,0,0,0,0,0|3,0,0]=4 141 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [1,0,0,0,0,0|3,0,0]=4 142 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [1,0,0,0,0,0|3,0,0]=4 143 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [1,0,0,0,0,0|3,0,0]=4 144 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [1,0,0,0,0,0|3,0,0]=4 145 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [1,0,0,0,0,0|3,0,0]=4 146 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [1,0,0,0,0,0|3,0,0]=4 147 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,0,0,0,0,0|3,0,0]=4 149 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,0,0,0,0,0|3,0,0]=4 150 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,0,0,0,0,0|1,0,1]=3 152 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,0,0,0,0,0|2,0,1]=4 159 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|1,0,2]=4 165 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,0,0,0,0|2,0,0]=3 166 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,0,0,0,0|2,0,0]=3 167 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,0,0,0,0|2,0,0]=3 168 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,0,0,0,0|2,0,0]=3 169 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,0,0,0,0|2,0,0]=3 170 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,0,0,0,0|2,0,0]=3 171 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,0,0,0,0|2,0,0]=3 172 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,0,0,0,0|2,0,0]=3 173 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,0,0,0,0|2,0,0]=3 174 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,0,0,0,0|2,0,0]=3 175 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,0,0,0,0|2,0,0]=3 176 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,0,0,0,0|2,0,0]=3 177 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,0,0,0,0|2,0,0]=3 178 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,0,0,0,0|2,0,0]=3 179 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,0,0,0,0|2,0,0]=3 180 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,0,0,0,0|2,0,1]=4 183 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,0,0,0,0|2,0,1]=4 184 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,0,0,0,0|2,0,1]=4 185 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [1,0,0,0,0,0|2,0,1]=4 187 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,0,0,0,0|2,0,1]=4 188 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,0,0,0,0|2,0,1]=4 189 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [1,0,0,0,0,0|2,0,1]=4 190 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [1,0,0,0,0,0|2,0,1]=4 191 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,0,0,0,0|2,0,1]=4 192 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,0,0,0,0,0|1,0,1]=3 194 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,0,0,0,0,0|1,0,1]=3 195 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,0,0,0,0|2,0,1]=4 197 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,0,0,0,0|2,0,1]=4 198 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,0,0,0,0,0|2,0,1]=4 199 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,0,0,0,0,0|2,0,1]=4 200 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 201 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,0,0,0,0|1,0,1]=3 202 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [1,0,0,0,0,0|2,0,1]=4 203 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,0,0,0,0|2,0,1]=4 205 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,0,0,0,0|2,0,1]=4 206 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,0,0,0,0,0|1,0,1]=3 207 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,0,0,0,0,0|3,0,0]=4 208 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,0,0,0,0,0|3,0,0]=4 209 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,0,0,0,0,0|1,0,1]=3 210 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,0,0,0,0,0|1,0,1]=3 211 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,0,0,0,0,0|2,0,1]=4 214 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,0,0,0,0,0|2,0,1]=4 217 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,0,0,0,0|2,0,1]=4 219 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,0,0,0,0|2,0,1]=4 220 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,0,0,0,0|2,0,1]=4 221 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,0,0,0,0,0|3,0,0]=4 222 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,0,0,0,0,0|3,0,0]=4 223 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,0,0,0,0,0|3,0,0]=4 224 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [1,0,0,0,0,0|3,0,0]=4 225 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [1,0,0,0,0,0|3,0,0]=4 226 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [1,0,0,0,0,0|3,0,0]=4 227 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [1,0,0,0,0,0|3,0,0]=4 228 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,0,0,0,0,0|3,0,0]=4 229 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,0,0,0,0,0|1,0,1]=3 230 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [1,0,0,0,0,0|2,0,1]=4 231 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [1,0,0,0,0,0|2,0,1]=4 232 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,0,0,0,0,0|1,0,1]=3 234 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,0,0,0,0,0|1,0,1]=3 235 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,0,0,0,0,0|1,0,1]=3 236 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,0,0,0,0,0|3,0,0]=4 237 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [1,0,0,0,0,0|2,0,1]=4 242 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,0,0,0,0,0|3,0,0]=4 243 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,0,0,0,0,0|3,0,0]=4 244 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [1,0,0,0,0,0|3,0,0]=4 245 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,0,0,0,0,0|3,0,0]=4 246 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,0,0,0,0,0|3,0,0]=4 247 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,0,0,0,0,0|3,0,0]=4 248 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [1,0,0,0,0,0|2,0,1]=4 249 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,0,0,0,0,0|3,0,0]=4 250 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,0,0,0,0,0|3,0,0]=4 251 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [1,0,0,0,0,0|3,0,0]=4 252 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [1,0,0,0,0,0|3,0,0]=4 253 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [1,0,0,0,0,0|3,0,0]=4 254 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [1,0,0,0,0,0|3,0,0]=4 255 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [1,0,0,0,0,0|2,0,1]=4 256 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,0,0,0,0,0|1,0,1]=3 257 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [1,0,0,0,0,0|3,0,0]=4 258 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,0,0,0,0,0|3,0,0]=4 259 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,0,0,0,0,0|3,0,0]=4 260 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,0,0,0,0,0|3,0,0]=4 262 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,0,0,0,0,0|3,0,0]=4 263 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,0,0,0,0,0|3,0,0]=4 264 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,0,0,0,0,0|2,0,1]=4 265 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,0,0,0,0,0|1,0,1]=3 267 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,0,0,0,0,0|1,0,1]=3 268 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,0,0,0,0,0|2,0,1]=4 269 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,0,0,0,0,0|2,0,1]=4 270 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,0,0,0,0,0|1,0,1]=3 271 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,0,0,0,0,0|1,0,1]=3 272 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,0,0,0,0,0|3,0,0]=4 273 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,0,0,0,0,0|3,0,0]=4 274 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [1,0,0,0,0,0|2,0,1]=4 275 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [1,0,0,0,0,0|2,0,1]=4 276 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,0,0,0,0,0|2,0,1]=4 279 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,0,0,0,0,0|2,0,1]=4 280 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,0,0,0,0,0|2,0,1]=4 281 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [1,0,0,0,0,0|1,0,2]=4 283 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,0,0,0,0,0|1,0,2]=4 284 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,0,0,0,0,0|1,0,2]=4 285 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [1,0,0,0,0,0|3,0,0]=4 286 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [1,0,0,0,0,0|1,0,2]=4 287 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [1,0,0,0,0,0|1,0,2]=4 288 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [1,0,0,0,0,0|2,0,1]=4 290 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,0,0,0,0|2,0,0]=3 291 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,0,0,0,0,0|2,0,0]=3 292 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,0,0,0,0,0|2,0,0]=3 293 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,0,0,0,0,0|3,0,0]=4 294 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [1,0,0,0,0,0|2,0,1]=4 295 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,0,0,0,0,0|2,0,0]=3 296 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,0,0,0,0,0|2,0,0]=3 297 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,0,0,0,0|1,0,0]=2 298 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,0,0,0,0|1,0,0]=2 299 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,0,0,0,0|1,0,0]=2 300 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [1,0,0,0,0,0|3,0,0]=4 301 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [1,0,0,0,0,0|3,0,0]=4 302 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [1,0,0,0,0,0|3,0,0]=4 303 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [1,0,0,0,0,0|3,0,0]=4 304 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [1,0,0,0,0,0|3,0,0]=4 305 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [1,0,0,0,0,0|3,0,0]=4 306 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,0,0,0,0|2,0,0]=3 307 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,0,0,0,0|2,0,0]=3 308 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,0,0,0,0|2,0,0]=3 309 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,0,0,0,0|2,0,0]=3 310 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,0,0,0,0|2,0,0]=3 311 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,0,0,0,0|2,0,0]=3 312 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,0,0,0,0,0|2,0,0]=3 313 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,0,0,0,0,0|2,0,0]=3 314 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,0,0,0,0,0|2,0,0]=3 315 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,0,0,0,0,0|2,0,0]=3 316 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,0,0,0,0,0|2,0,0]=3 317 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [1,0,0,0,0,0|3,0,0]=4 318 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [1,0,0,0,0,0|3,0,0]=4 319 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [1,0,0,0,0,0|3,0,0]=4 320 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [1,0,0,0,0,0|2,0,1]=4 321 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,0,0,0,0,0|1,0,0]=2 322 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,0,0,0,0,0|2,0,0]=3 323 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,0,0,0,0,0|2,0,0]=3 324 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,0,0,0,0|2,0,0]=3 325 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,0,0,0,0|2,0,0]=3 326 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,0,0,0,0,0|2,0,0]=3 327 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,0,0,0,0|2,0,0]=3 328 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,0,0,0,0,0|3,0,0]=4 329 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [1,0,0,0,0,0|2,0,1]=4 330 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,0,0,0,0,0|1,0,1]=3 331 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,0,0,0,0,0|2,0,0]=3 332 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,0,0,0,0,0|2,0,0]=3 333 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,0,0,0,0,0|2,0,0]=3 334 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,0,0,0,0,0|2,0,0]=3 335 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,0,0,0,0,0|2,0,0]=3 336 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,0,0,0,0,0|2,0,0]=3 337 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,0,0,0,0,0|2,0,0]=3 338 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,0,0,0,0,0|2,0,0]=3 339 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [1,0,0,0,0,0|3,0,0]=4 340 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [1,0,0,0,0,0|3,0,0]=4 341 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [1,0,0,0,0,0|2,0,1]=4 342 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [1,0,0,0,0,0|2,0,1]=4 343 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,0,0,0,0,0|2,0,0]=3 344 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,0,0,0,0,0|2,0,0]=3 345 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,0,0,0,0,0|2,0,0]=3 346 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,0,0,0,0,0|2,0,0]=3 347 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,0,0,0,0,0|1,0,0]=2 348 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,0,0,0,0,0|1,0,1]=3 349 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,0,0,0,0,0|3,0,0]=4 350 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [1,0,0,0,0,0|3,0,0]=4 351 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [1,0,0,0,0,0|3,0,0]=4 352 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [1,0,0,0,0,0|2,0,1]=4 353 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,0,0,0,0|1,0,2]=4 355 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,0,0,0,0|1,0,2]=4 356 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,0,0,0,0|1,0,2]=4 357 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|1,0,2]=4 358 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,0,0,0,0,0|3,0,0]=4 359 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,0,0,0,0,0|3,0,0]=4 360 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,0,0,0,0|3,0,0]=4 361 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,0,0,0,0|3,0,0]=4 362 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,0,0,0,0|3,0,0]=4 363 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,0,0,0,0|3,0,0]=4 364 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,0,0,0,0|3,0,0]=4 365 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,0,0,0,0|3,0,0]=4 366 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,0,0,0,0|3,0,0]=4 367 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,0,0,0,0|3,0,0]=4 368 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,0,0,0,0|3,0,0]=4 369 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,0,0,0,0|3,0,0]=4 370 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,0,0,0,0|3,0,0]=4 371 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,0,0,0,0|3,0,0]=4 372 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,0,0,0,0|3,0,0]=4 373 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,0,0,0,0|3,0,0]=4 374 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,0,0,0,0|3,0,0]=4 375 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,0,0,0,0,0|3,0,0]=4 376 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,0,0,0,0,0|3,0,0]=4 377 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,0,0,0,0,0|3,0,0]=4 378 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,0,0,0,0,0|3,0,0]=4 379 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,0,0,0,0,0|3,0,0]=4 380 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|1,0,2]=4 381 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|1,0,2]=4 382 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|1,0,2]=4 383 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,0,0,0,0|1,0,2]=4 384 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,0,0,0,0|2,0,1]=4 385 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,0,0,0,0|2,0,1]=4 386 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|2,0,0]=3 387 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|2,0,0]=3 388 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|2,0,0]=3 389 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|2,0,0]=3 390 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|2,0,0]=3 391 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|2,0,0]=3 392 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|3,0,0]=4 393 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 394 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 395 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 396 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|3,0,0]=4 397 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|3,0,0]=4 398 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|3,0,0]=4 399 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|3,0,0]=4 400 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|3,0,0]=4 401 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,0,0,0,0|2,0,1]=4 402 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,0,0,0,0|2,0,1]=4 403 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,0,0,0,0|2,0,1]=4 404 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|1,0,2]=4 405 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|1,0,2]=4 406 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|1,0,2]=4 407 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,0,0,0,0|1,0,2]=4 408 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,0,0,0,0|1,0,2]=4 409 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|1,0,2]=4 410 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|1,0,2]=4 411 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|1,0,0]=2 412 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|1,0,0]=2 413 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|1,0,0]=2 414 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,0,0,0,0|3,0,0]=4 415 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,0,0,0,0|3,0,0]=4 416 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,0,0,0,0|3,0,0]=4 417 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,0,0,0,0|3,0,0]=4 418 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,0,0,0,0|3,0,0]=4 419 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,0,0,0,0|3,0,0]=4 420 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 421 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 422 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 423 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|2,0,0]=3 424 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|2,0,0]=3 425 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|2,0,0]=3 426 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|1,0,0]=2 427 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 428 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,0,0,0,0|2,0,1]=4 429 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 430 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,0,0,0,0|2,0,1]=4 431 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,0,0,0,0|3,0,0]=4 432 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|2,0,0]=3 433 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|2,0,0]=3 434 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|2,0,0]=3 435 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|2,0,0]=3 436 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|1,0,1]=3 437 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,0,0,0,0|2,0,1]=4 438 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,0,0,0,0|2,0,1]=4 439 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,0,0,0,0,0|2,0,1]=4 440 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|2,0,0]=3 441 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|2,0,0]=3 442 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|2,0,0]=3 443 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|2,0,0]=3 444 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|1,0,1]=3 445 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|1,0,1]=3 446 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,0,0,0,0|2,0,1]=4 447 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,0,0,0,0|2,0,1]=4 448 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,0,0,0,0|2,0,1]=4 449 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,0,0,0,0|2,0,1]=4 450 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,0,0,0,0,0|2,0,1]=4 451 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|2,0,0]=3 452 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 453 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|2,0,0]=3 454 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 455 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,0,0,0,0|2,0,1]=4 456 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,0,0,0,0|2,0,1]=4 457 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,0,0,0,0|2,0,1]=4 458 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,0,0,0,0|2,0,1]=4 459 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|3,0,0]=4 460 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|2,0,0]=3 461 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|2,0,0]=3 462 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|2,0,0]=3 463 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|2,0,0]=3 464 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|2,0,0]=3 465 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 466 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|2,0,0]=3 467 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 468 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|2,0,0]=3 469 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,0,0,0,0|2,0,1]=4 470 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|3,0,0]=4 471 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|2,0,0]=3 472 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|2,0,0]=3 473 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|2,0,0]=3 474 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|2,0,0]=3 475 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|2,0,0]=3 476 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|2,0,0]=3 477 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|2,0,0]=3 478 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,0,0,0,0|2,0,1]=4 479 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,0,0,0,0|2,0,1]=4 480 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|3,0,0]=4 481 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|3,0,0]=4 482 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,0,0,0,0,0|3,0,0]=4 483 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,0,0,0,0,0|3,0,0]=4 484 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,0,0,0,0|2,0,0]=3 485 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,0,0,0,0,0|2,0,1]=4 486 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,0,0,0,0,0|2,0,1]=4 487 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,0,0,0,0|2,0,1]=4 488 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|2,0,0]=3 489 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 490 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 491 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|2,0,0]=3 492 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|2,0,0]=3 493 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,1,0,0,0,0|2,0,1]=4 494 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,1,0,0,0,0|3,0,0]=4 495 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,1,0,0,0,0|3,0,0]=4 496 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,1,0,0,0,0|3,0,0]=4 497 B8R0.2 CC(C(=O)N)C(=O)CO 1458a_100000210174_100000702099 [0,1,0,0,0,0|2,0,1]=4 498 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,1,0,0,0,0|2,0,0]=3 499 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 34a_200000034949_200025704644 [0,1,0,0,0,0|2,0,1]=4 500 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 7a_200000034949_200025704644 [0,1,0,0,0,0|2,0,1]=4 501 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,1,0,0,0,0|1,0,1]=3 502 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,1,0,0,0,0|1,0,1]=3 503 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,1,0,0,0,0|1,0,1]=3 504 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [0,1,0,0,0,0|2,0,1]=4 505 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [0,1,0,0,0,0|1,0,2]=4 506 B8R0.2 CCC(C)C(C)N(C)C 270004a_100102631434_100000210599 [0,1,0,0,0,0|3,0,0]=4 507 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,1,0,0,0,0|2,0,0]=3 508 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,1,0,0,0,0|2,0,0]=3 509 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,1,0,0,0,0|2,0,0]=3 510 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,1,0,0,0,0|2,0,0]=3 511 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,1,0,0,0,0|2,0,0]=3 512 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,1,0,0,0,0|2,0,0]=3 513 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,1,0,0,0,0|2,0,0]=3 514 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,1,0,0,0,0|2,0,0]=3 515 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,1,0,0,0,0|2,0,0]=3 516 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,1,0,0,0,0|2,0,0]=3 517 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,1,0,0,0,0|2,0,0]=3 518 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,0,0,0,0|1,0,0]=2 519 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,1,0,0,0,0|2,0,0]=3 520 B8R0.2 CCN(C)C(F)C(=O)N 2230a_100000225621_100009813875 [0,1,0,0,0,0|3,0,0]=4 521 B8R0.2 CCN(C)C(F)C(=O)N 269982a_100000225621_100009813875 [0,1,0,0,0,0|3,0,0]=4 522 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,1,0,0,0,0|2,0,0]=3 523 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,1,0,0,0,0|2,0,0]=3 524 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,1,0,0,0,0|2,0,1]=4 525 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,1,0,0,0,0|2,0,1]=4 526 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,1,0,0,0,0|2,0,1]=4 527 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,1,0,0,0,0|2,0,1]=4 528 B8R0.2 COC(C)C(C)[N+](=O)[O-] 34a_200000034949_200000210301 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.2 COC(C)C(C)[N+](=O)[O-] 7a_200000034949_200000210301 [0,1,0,0,0,0|2,0,1]=4 530 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,1,0,0,0,0|3,0,0]=4 531 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,1,0,0,0,0|3,0,0]=4 532 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,1,0,0,0,0|3,0,0]=4 533 B8R0.3 C#CC(=O)C(C)CC#N 1458a_100000211873_100009813641 [0,1,0,0,0,0|2,0,1]=4 534 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,1,0,0,0,0|1,0,0]=2 535 B8R0.3 C#CC(=O)C(C)CCO 1458a_100000211873_100009893172 [0,1,0,0,0,0|2,0,0]=3 536 B8R0.3 C#CC(=O)C(C)COC 1458a_100000211873_100000765312 [0,1,0,0,0,0|2,0,0]=3 537 B8R0.3 C#CCN(C)C(=O)CO 527a_100000225692_100000210174 [0,1,0,0,0,0|1,0,2]=4 538 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [0,1,0,0,0,0|3,0,0]=4 539 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,1,0,0,0,0|1,0,2]=4 540 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,1,0,0,0,0|1,0,2]=4 541 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,1,0,0,0,0|1,0,2]=4 542 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,1,0,0,0,0|1,0,2]=4 543 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,1,0,0,0,0|1,0,2]=4 544 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,1,0,0,0,0|1,0,2]=4 545 B8R0.3 C=CC(=O)C(C)CC#N 1458a_100000185746_100009813641 [0,1,0,0,0,0|2,0,1]=4 546 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,1,0,0,0,0|1,0,0]=2 547 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [0,1,0,0,0,0|2,0,0]=3 548 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [0,1,0,0,0,0|2,0,0]=3 549 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [0,1,0,0,0,0|2,0,0]=3 550 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [0,1,0,0,0,0|2,0,0]=3 551 B8R0.3 C=CC(=O)N(C)CCO 240690a_100000210263_200121576911 [0,1,0,0,0,0|3,0,0]=4 552 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,1,0,0,0,0|1,0,2]=4 553 B8R0.3 C=CCC(C)C(=O)CF 1458a_100011216819_100015361967 [0,1,0,0,0,0|1,0,2]=4 554 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [0,1,0,0,0,0|1,0,2]=4 555 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [0,1,0,0,0,0|1,0,2]=4 556 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [0,1,0,0,0,0|1,0,2]=4 557 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [0,1,0,0,0,0|1,0,2]=4 558 B8R0.3 C=CCN(C)C(=O)CO 240690a_100000225617_100000210174 [0,1,0,0,0,0|1,0,2]=4 559 B8R0.3 C=CCN(C)C(=O)CO 527a_100000225617_100000210174 [0,1,0,0,0,0|1,0,2]=4 560 B8R0.3 CC(CC#N)C(=O)CO 1458a_100000210174_100009813641 [0,1,0,0,0,0|1,0,1]=3 561 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,1,0,0,0,0|1,0,0]=2 562 B8R0.3 CC(OCF)C(=O)NN 34a_100000725659_100015361967 [0,1,0,0,0,0|3,0,0]=4 563 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,1,0,0,0,0|1,0,2]=4 564 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,1,0,0,0,0|1,0,2]=4 565 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,1,0,0,0,0|1,0,2]=4 566 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,1,0,0,0,0|1,0,2]=4 567 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,1,0,0,0,0|1,0,2]=4 568 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,1,0,0,0,0|1,0,2]=4 569 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [0,1,0,0,0,0|2,0,1]=4 570 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,1,0,0,0,0|2,0,0]=3 571 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,1,0,0,0,0|2,0,0]=3 572 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,1,0,0,0,0|2,0,0]=3 573 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,1,0,0,0,0|2,0,0]=3 574 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,1,0,0,0,0|3,0,0]=4 575 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,1,0,0,0,0|3,0,0]=4 576 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,1,0,0,0,0|3,0,0]=4 577 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,1,0,0,0,0|3,0,0]=4 578 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,0,0,0,0|2,0,1]=4 579 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,0,0,0,0|1,0,0]=2 580 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,0,0,0,0|1,0,0]=2 581 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,0,0,0,0|1,0,0]=2 582 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,0,0,0,0|0,0,0]=1 583 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,0,0,0,0|1,0,0]=2 584 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,0,0,0,0|1,0,0]=2 585 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,0,0,0,0|1,0,0]=2 586 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,0,0,0,0|1,0,0]=2 587 B8R0.3 CCCC(C)C(C)NC 270004a_106832991635_100011216282 [0,1,0,0,0,0|2,0,1]=4 588 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,1,0,0,0,0|1,0,1]=3 589 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,1,0,0,0,0|1,0,1]=3 590 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,1,0,0,0,0|1,0,1]=3 591 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,1,0,0,0,0|1,0,1]=3 592 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [0,1,0,0,0,0|3,0,0]=4 593 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [0,1,0,0,0,0|3,0,0]=4 594 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,1,0,0,0,0|2,0,0]=3 595 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,1,0,0,0,0|2,0,0]=3 596 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,1,0,0,0,0|2,0,0]=3 597 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,1,0,0,0,0|2,0,0]=3 598 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,1,0,0,0,0|1,0,0]=2 599 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,1,0,0,0,0|1,0,0]=2 600 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,1,0,0,0,0|2,0,0]=3 601 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,1,0,0,0,0|2,0,0]=3 602 B8R0.3 CCCN(C)C(C)CO 2230a_100000693034_100000210303 [0,1,0,0,0,0|2,0,1]=4 603 B8R0.3 CCCN(C)C(C)CO 2230a_100000747261_100012180447 [0,1,0,0,0,0|2,0,1]=4 604 B8R0.3 CCCN(C)C(C)CO 2230a_100011303929_200000210301 [0,1,0,0,0,0|2,0,1]=4 605 B8R0.3 CCCN(C)C(C)CO 269982a_100000693034_100000210303 [0,1,0,0,0,0|2,0,1]=4 606 B8R0.3 CCCN(C)C(C)CO 269982a_100011303929_200000210301 [0,1,0,0,0,0|2,0,1]=4 607 B8R0.3 CCCN(C)C(C)OC 269982a_100000747261_100009879195 [0,1,0,0,0,0|2,0,1]=4 608 B8R0.3 CCCN(C)[C@H](C)CO 269982a_100000747261_100016084084 [0,1,0,0,0,0|2,0,1]=4 609 B8R0.3 CCCN([13CH3])C(C)CO 2230a_100011303929_200025704644 [0,1,0,0,0,0|2,0,1]=4 610 B8R0.3 CCCN([13CH3])C(C)CO 269982a_100011303929_200025704644 [0,1,0,0,0,0|2,0,1]=4 611 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,0,0,0,0|2,0,0]=3 612 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,1,0,0,0,0|2,0,0]=3 613 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,1,0,0,0,0|2,0,0]=3 614 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,1,0,0,0,0|2,0,1]=4 615 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,1,0,0,0,0|2,0,1]=4 616 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,1,0,0,0,0|2,0,1]=4 617 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,1,0,0,0,0|2,0,0]=3 618 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,1,0,0,0,0|2,0,0]=3 619 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,1,0,0,0,0|1,0,0]=2 620 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,1,0,0,0,0|3,0,0]=4 621 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,1,0,0,0,0|2,0,0]=3 622 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,1,0,0,0,0|2,0,0]=3 623 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,0,0,0,0|2,0,0]=3 624 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,1,0,0,0,0|2,0,0]=3 625 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,1,0,0,0,0|2,0,0]=3 626 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,1,0,0,0,0|2,0,0]=3 627 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,1,0,0,0,0|2,0,0]=3 628 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,1,0,0,0,0|2,0,0]=3 629 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,1,0,0,0,0|2,0,0]=3 630 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,1,0,0,0,0|2,0,0]=3 631 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,0,0,0,0|1,0,0]=2 632 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,0,0,0,0|1,0,0]=2 633 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,1,0,0,0,0|3,0,0]=4 634 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,1,0,0,0,0|2,0,0]=3 635 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,1,0,0,0,0|2,0,0]=3 636 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,1,0,0,0,0|2,0,0]=3 637 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,1,0,0,0,0|2,0,0]=3 638 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,1,0,0,0,0|2,0,0]=3 639 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,1,0,0,0,0|2,0,0]=3 640 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,1,0,0,0,0|2,0,0]=3 641 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,1,0,0,0,0|2,0,0]=3 642 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,1,0,0,0,0|2,0,0]=3 643 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,1,0,0,0,0|2,0,0]=3 644 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,0,0,0,0|1,0,0]=2 645 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,0,0,0,0|1,0,0]=2 646 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,1,0,0,0,0|3,0,0]=4 647 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,1,0,0,0,0|3,0,0]=4 648 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,1,0,0,0,0|2,0,0]=3 649 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,1,0,0,0,0|2,0,0]=3 650 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,1,0,0,0,0|2,0,0]=3 651 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,1,0,0,0,0|2,0,0]=3 652 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,1,0,0,0,0|2,0,0]=3 653 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,1,0,0,0,0|2,0,0]=3 654 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,1,0,0,0,0|2,0,0]=3 655 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,1,0,0,0,0|2,0,0]=3 656 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,1,0,0,0,0|2,0,0]=3 657 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,1,0,0,0,0|2,0,0]=3 658 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,1,0,0,0,0|2,0,0]=3 659 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,1,0,0,0,0|2,0,0]=3 660 B8R0.3 CNC(=O)C(C)SCF 62a_100000209862_100015361967 [0,1,0,0,0,0|3,0,0]=4 661 B8R0.3 CNC(=O)C(C)SCF 62a_100015361967_100000731044 [0,1,0,0,0,0|3,0,0]=4 662 B8R0.3 CNC(=O)N(C)CCO 2708a_100102657272_100000210263 [0,1,0,0,0,0|3,0,0]=4 663 B8R0.3 CNC(=O)N(C)CCO 273464a_100102657272_100000210263 [0,1,0,0,0,0|3,0,0]=4 664 B8R0.3 CNC(=O)[C@@H](C)NCF 34a_100000684985_100015361967 [0,1,0,0,0,0|3,0,0]=4 665 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,1,0,0,0,0|2,0,1]=4 666 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,1,0,0,0,0|2,0,0]=3 667 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,1,0,0,0,0|2,0,0]=3 668 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,1,0,0,0,0|1,0,0]=2 669 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,1,0,0,0,0|2,0,1]=4 671 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,1,0,0,0,0|2,0,1]=4 672 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,1,0,0,0,0|2,0,1]=4 673 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,1,0,0,0,0|1,0,0]=2 674 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,1,0,0,0,0|1,0,0]=2 675 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,1,0,0,0,0|1,0,0]=2 676 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,1,0,0,0,0|1,0,0]=2 677 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,1,0,0,0,0|1,0,0]=2 678 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,1,0,0,0,0|1,0,0]=2 679 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,1,0,0,0,0|2,0,0]=3 680 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,1,0,0,0,0|2,0,0]=3 681 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,1,0,0,0,0|2,0,0]=3 682 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,1,0,0,0,0|2,0,0]=3 683 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,1,0,0,0,0|2,0,0]=3 684 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,1,0,0,0,0|2,0,1]=4 685 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,1,0,0,0,0|2,0,0]=3 686 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,1,0,0,0,0|1,0,0]=2 687 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,1,0,0,0,0|1,0,0]=2 688 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,1,0,0,0,0|1,0,0]=2 689 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,1,0,0,0,0|1,0,0]=2 690 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,1,0,0,0,0|2,0,0]=3 691 B8R0.3 COCC(N)C(=O)NN 34a_100016989258_200000210301 [0,1,0,0,0,0|3,0,0]=4 692 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,1,0,0,0,0|2,0,0]=3 693 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,1,0,0,0,0|2,0,0]=3 694 B8R0.3 [13CH3]OCC(N)C(=O)NN 34a_100016989258_200025704644 [0,1,0,0,0,0|3,0,0]=4 695 B8R0.8 C#CCNC(C)C(=O)N 34a_100000212058_100000702099 [0,1,0,0,0,0|1,0,2]=4 696 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,1,0,0,0,0|0,0,2]=3 697 B8R0.8 C#CCN[C@H](C)C(=O)N 2230a_100000119354_100000038162 [0,1,0,0,0,0|1,0,2]=4 698 B8R0.8 C#CCN[C@H](C)C(=O)N 34a_100000119354_100000184674 [0,1,0,0,0,0|1,0,2]=4 699 B8R0.8 C#CCOC(C)C(=O)C 34a_100000212229_100000184674 [0,1,0,0,0,0|1,0,2]=4 700 B8R0.8 C#CCOC(C)C(=O)N 34a_100000210247_100000702099 [0,1,0,0,0,0|1,0,2]=4 701 B8R0.8 C#CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000038162 [0,1,0,0,0,0|0,0,3]=4 702 B8R0.8 C#CCO[C@H](C)C(=O)N 34a_100000731257_100000184674 [0,1,0,0,0,0|1,0,2]=4 703 B8R0.8 C#CCO[C@H](C)C(=O)N 7a_100000731257_100000038162 [0,1,0,0,0,0|1,0,2]=4 704 B8R0.8 C#CCSC(C)C(=O)C 62a_100000038162_100009814033 [0,1,0,0,0,0|1,0,2]=4 705 B8R0.8 C#CCSC(C)C(=O)N 62a_100000038162_100000702099 [0,1,0,0,0,0|1,0,2]=4 706 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,1,0,0,0,0|2,0,0]=3 707 B8R0.8 C=C(C)C(C)NCCF 269862a_100000724931_100011216138 [0,1,0,0,0,0|3,0,0]=4 708 B8R0.8 C=C(C)C(C)NCCO 269862a_100000210304_100011216138 [0,1,0,0,0,0|3,0,0]=4 709 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [0,1,0,0,0,0|2,0,1]=4 710 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [0,1,0,0,0,0|2,0,1]=4 711 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [0,1,0,0,0,0|2,0,1]=4 712 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [0,1,0,0,0,0|2,0,1]=4 713 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [0,1,0,0,0,0|1,0,2]=4 714 B8R0.8 C=CCNC(C)C(=O)N 2230a_100020586998_100000702099 [0,1,0,0,0,0|1,0,2]=4 715 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,1,0,0,0,0|0,0,2]=3 716 B8R0.8 C=CCN[C@H](C)C(=O)N 2230a_100000119354_100000210623 [0,1,0,0,0,0|1,0,2]=4 717 B8R0.8 C=CCN[C@H](C)C(=O)N 34a_100000119354_100015514636 [0,1,0,0,0,0|1,0,2]=4 718 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [0,1,0,0,0,0|1,0,2]=4 719 B8R0.8 C=CCOC(C)C(=O)N 34a_200000210373_100000702099 [0,1,0,0,0,0|1,0,2]=4 720 B8R0.8 C=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100015514636 [0,1,0,0,0,0|0,0,3]=4 721 B8R0.8 C=CCO[C@H](C)C(=O)N 34a_100000731257_100015514636 [0,1,0,0,0,0|1,0,2]=4 722 B8R0.8 C=CCO[C@H](C)C(=O)N 7a_100000731257_100015514636 [0,1,0,0,0,0|1,0,2]=4 723 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [0,1,0,0,0,0|1,0,2]=4 724 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [0,1,0,0,0,0|1,0,2]=4 725 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [0,1,0,0,0,0|1,0,2]=4 726 B8R0.8 C=CCSC(C)C(=O)N 62a_100000210623_100000702099 [0,1,0,0,0,0|1,0,2]=4 727 B8R0.8 C=CCSC(C)C(=O)N 62a_100000702099_100000210623 [0,1,0,0,0,0|1,0,2]=4 728 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [0,1,0,0,0,0|1,0,2]=4 729 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,1,0,0,0,0|2,0,0]=3 730 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,1,0,0,0,0|2,0,0]=3 731 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,1,0,0,0,0|2,0,0]=3 732 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,1,0,0,0,0|2,0,1]=4 733 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,1,0,0,0,0|2,0,0]=3 734 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,1,0,0,0,0|2,0,0]=3 735 B8R0.8 CC(=O)C(C)SCC#N 62a_100009814033_100011215382 [0,1,0,0,0,0|2,0,1]=4 736 B8R0.8 CC(=O)C(C)SCC#N 62a_100011215382_100009814033 [0,1,0,0,0,0|2,0,1]=4 737 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [0,1,0,0,0,0|2,0,1]=4 738 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [0,1,0,0,0,0|2,0,1]=4 739 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,1,0,0,0,0|2,0,0]=3 740 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,1,0,0,0,0|2,0,0]=3 741 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,1,0,0,0,0|2,0,0]=3 742 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,1,0,0,0,0|2,0,0]=3 743 B8R0.8 CC(=O)N(C)CCC#N 11a_100000184479_100015343762 [0,1,0,0,0,0|2,0,1]=4 744 B8R0.8 CC(=O)N(C)CCC#N 1626a_100000184479_100015343762 [0,1,0,0,0,0|2,0,1]=4 745 B8R0.8 CC(=O)N(C)CCC#N 240690a_100000184479_100015343762 [0,1,0,0,0,0|2,0,1]=4 746 B8R0.8 CC(=O)N(C)CCC#N 527a_100000184479_100103153847 [0,1,0,0,0,0|2,0,1]=4 747 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,1,0,0,0,0|2,0,0]=3 748 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,1,0,0,0,0|2,0,0]=3 749 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,1,0,0,0,0|1,0,0]=2 750 B8R0.8 CC(COCF)[N+](=O)[O-] 34a_100000039676_100015361967 [0,1,0,0,0,0|2,0,1]=4 751 B8R0.8 CC(COCF)[N+](=O)[O-] 7a_100000039676_100015361967 [0,1,0,0,0,0|2,0,1]=4 752 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,1,0,0,0,0|2,0,0]=3 753 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,1,0,0,0,0|2,0,0]=3 754 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,1,0,0,0,0|2,0,0]=3 755 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,1,0,0,0,0|2,0,0]=3 756 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,1,0,0,0,0|2,0,0]=3 757 B8R0.8 CC(SCC#N)C(=O)N 62a_100000702099_100011215382 [0,1,0,0,0,0|2,0,1]=4 758 B8R0.8 CC(SCC#N)C(=O)N 62a_100011215382_100000702099 [0,1,0,0,0,0|2,0,1]=4 759 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [0,1,0,0,0,0|2,0,1]=4 760 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [0,1,0,0,0,0|2,0,1]=4 761 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,1,0,0,0,0|2,0,0]=3 762 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,1,0,0,0,0|2,0,0]=3 763 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,1,0,0,0,0|2,0,0]=3 764 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,1,0,0,0,0|2,0,0]=3 765 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,1,0,0,0,0|1,0,1]=3 766 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,1,0,0,0,0|1,0,1]=3 767 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,1,0,0,0,0|1,0,0]=2 768 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,1,0,0,0,0|1,0,0]=2 769 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,1,0,0,0,0|1,0,0]=2 770 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,1,0,0,0,0|3,0,0]=4 771 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,1,0,0,0,0|3,0,0]=4 772 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,1,0,0,0,0|3,0,0]=4 773 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,1,0,0,0,0|2,0,0]=3 774 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,1,0,0,0,0|2,0,0]=3 775 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,1,0,0,0,0|2,0,0]=3 776 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,1,0,0,0,0|2,0,0]=3 777 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,1,0,0,0,0|2,0,0]=3 778 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,1,0,0,0,0|2,0,0]=3 779 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,0,0,0,0|2,0,1]=4 780 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,1,0,0,0,0|2,0,1]=4 781 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,0,0,0,0|2,0,1]=4 782 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [0,1,0,0,0,0|2,0,1]=4 783 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,1,0,0,0,0|0,0,0]=1 784 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,1,0,0,0,0|1,0,0]=2 785 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,1,0,0,0,0|1,0,0]=2 786 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,1,0,0,0,0|1,0,0]=2 787 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,1,0,0,0,0|1,0,0]=2 788 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,1,0,0,0,0|2,0,1]=4 789 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,1,0,0,0,0|2,0,0]=3 790 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,1,0,0,0,0|1,0,1]=3 791 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,1,0,0,0,0|0,0,1]=2 792 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,1,0,0,0,0|1,0,0]=2 793 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,1,0,0,0,0|1,0,0]=2 794 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,1,0,0,0,0|1,0,0]=2 795 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,1,0,0,0,0|1,0,0]=2 796 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,1,0,0,0,0|1,0,0]=2 797 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,1,0,0,0,0|1,0,0]=2 798 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,1,0,0,0,0|2,0,0]=3 799 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,1,0,0,0,0|2,0,0]=3 800 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,1,0,0,0,0|1,0,1]=3 801 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,1,0,0,0,0|1,0,1]=3 802 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,1,0,0,0,0|0,0,0]=1 803 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,1,0,0,0,0|1,0,0]=2 804 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,1,0,0,0,0|1,0,0]=2 806 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,1,0,0,0,0|1,0,0]=2 807 B8R0.8 CCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210202 [0,1,0,0,0,0|1,0,1]=3 808 B8R0.8 CCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210202 [0,1,0,0,0,0|1,0,1]=3 809 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,1,0,0,0,0|2,0,0]=3 810 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,1,0,0,0,0|2,0,1]=4 811 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,1,0,0,0,0|2,0,1]=4 812 B8R0.8 CCSCC(C)N(C)C 270004a_100102631434_200011216171 [0,1,0,0,0,0|3,0,0]=4 813 B8R0.8 COCCC(C)N(C)C 270004a_100102631434_100000742357 [0,1,0,0,0,0|3,0,0]=4 814 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,1,0,0,0,0|2,0,0]=3 815 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,1,0,0,0,0|2,0,0]=3 816 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,1,0,0,0,0|2,0,0]=3 817 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,1,0,0,0,0|2,0,0]=3 818 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,1,0,0,0,0|1,0,0]=2 819 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [0,1,0,0,0,0|2,0,0]=3 820 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,1,0,0,0,0|2,0,0]=3 821 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,1,0,0,0,0|2,0,0]=3 822 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [0,1,0,0,0,0|2,0,0]=3 823 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [0,1,0,0,0,0|2,0,0]=3 824 B8R0.8 COCSC(F)C(=O)N 62a_100000766300_100009813875 [0,1,0,0,0,0|3,0,0]=4 825 B8R0.8 COCSC(F)C(=O)N 62a_100009813875_100000766300 [0,1,0,0,0,0|3,0,0]=4 826 B8R0.8 COCSC(F)C(=O)[O-] 62a_100000766300_100020610796 [0,1,0,0,0,0|2,0,1]=4 827 B8R0.8 COCSC(F)C(=O)[O-] 62a_100020610796_100000766300 [0,1,0,0,0,0|2,0,1]=4 828 B8R0.8 CSCCC(C)N(C)C 270004a_100102631434_100011217047 [0,1,0,0,0,0|3,0,0]=4 829 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,1,0,0,0,0|2,0,0]=3 830 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,1,0,0,0,0|2,0,0]=3 831 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,1,0,0,0,0|2,0,0]=3 832 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,1,0,0,0,0|2,0,0]=3 833 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,1,0,0,0,0|2,0,0]=3 834 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,1,0,0,0,0|2,0,0]=3 835 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,1,0,0,0,0|1,0,0]=2 836 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,1,0,0,0,0|2,0,0]=3 837 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,1,0,0,0,0|2,0,0]=3 838 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,1,0,0,0,0|2,0,0]=3 839 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,1,0,0,0,0|2,0,0]=3 840 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,1,0,0,0,0|2,0,0]=3 841 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,1,0,0,0,0|2,0,0]=3 842 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,1,0,0,0,0|2,0,0]=3 843 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,1,0,0,0,0|2,0,0]=3 844 B8R0.8 CSCSC(F)C(=O)N 62a_100009813875_100011218213 [0,1,0,0,0,0|3,0,0]=4 845 B8R0.8 CSCSC(F)C(=O)N 62a_100011218213_100009813875 [0,1,0,0,0,0|3,0,0]=4 846 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100011218213_100020610796 [0,1,0,0,0,0|2,0,1]=4 847 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100020610796_100011218213 [0,1,0,0,0,0|2,0,1]=4 848 B8R0.8 C[C@@H](NCC#N)C(=O)N 2230a_100000119354_100011215382 [0,1,0,0,0,0|2,0,1]=4 849 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [0,1,0,0,0,0|2,0,1]=4 850 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [0,1,0,0,0,0|2,0,1]=4 851 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,1,0,0,0,0|2,0,0]=3 852 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,1,0,0,0,0|2,0,0]=3 853 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,1,0,0,0,0|2,0,0]=3 854 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,1,0,0,0,0|2,0,0]=3 855 B8R0.8 C[C@@H](OCC#N)C(=O)N 7a_100000731257_100011215382 [0,1,0,0,0,0|2,0,1]=4 856 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [0,1,0,0,0,0|2,0,1]=4 857 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [0,1,0,0,0,0|2,0,1]=4 858 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,1,0,0,0,0|2,0,0]=3 859 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,1,0,0,0,0|2,0,0]=3 860 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,1,0,0,0,0|2,0,0]=3 861 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,1,0,0,0,0|2,0,0]=3 862 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,1,0,0,0,0|1,0,1]=3 863 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,1,0,0,0,0|1,0,1]=3 864 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,1,0,0,0,0|1,0,0]=2 865 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,1,0,0,0,0|1,0,0]=2 866 B8R0.8 C[C@H](OCC#N)C(=O)[O-] 7a_217856618621_100011215382 [0,1,0,0,0,0|1,0,2]=4 867 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [0,1,0,0,0,0|1,0,2]=4 868 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,1,0,0,0,0|1,0,1]=3 869 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,1,0,0,0,0|1,0,1]=3 870 B8R0.8 NC(=O)C(F)NCCF 34a_100000724931_100009813875 [0,1,0,0,0,0|3,0,0]=4 871 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [0,1,0,0,0,0|3,0,0]=4 872 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [0,1,0,0,0,0|3,0,0]=4 873 B8R0.8 NC(=O)C(F)OCCBr 34a_100000211926_100009813875 [0,1,0,0,0,0|3,0,0]=4 874 B8R0.8 NC(=O)C(F)SCCF 62a_100009813875_100011217306 [0,1,0,0,0,0|3,0,0]=4 875 B8R0.8 NC(=O)C(F)SCCF 62a_100011217306_100009813875 [0,1,0,0,0,0|3,0,0]=4 876 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [0,1,0,0,0,0|3,0,0]=4 877 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [0,1,0,0,0,0|3,0,0]=4 878 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [0,1,0,0,0,0|3,0,0]=4 879 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,1,0,0,0,0|3,0,0]=4 880 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,1,0,0,0,0|2,0,1]=4 881 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,1,0,0,0,0|2,0,0]=3 882 B8R0.8 O=C([O-])C(F)NCCF 34a_100000724931_100020610796 [0,1,0,0,0,0|2,0,1]=4 883 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [0,1,0,0,0,0|2,0,1]=4 884 B8R0.8 O=C([O-])C(F)OCCBr 34a_100000211926_100020610796 [0,1,0,0,0,0|2,0,1]=4 885 B8R0.8 O=C([O-])C(F)SCCF 62a_100011217306_100020610796 [0,1,0,0,0,0|2,0,1]=4 886 B8R0.8 O=C([O-])C(F)SCCF 62a_100020610796_100011217306 [0,1,0,0,0,0|2,0,1]=4 887 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [0,1,0,0,0,0|2,0,1]=4 888 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [0,1,0,0,0,0|2,0,1]=4 889 B8R0.12 C=CCC(C)(C)C(=O)C 1458a_100000705796_200000210301 [0,1,0,0,0,0|1,0,2]=4 890 B8R0.12 C=CCC(C)(C)C(=O)[13CH3] 1458a_100000705796_200025704644 [0,1,0,0,0,0|1,0,2]=4 891 B8R0.12 CC(=O)C(C)(C)OCF 34a_100000747739_100015361967 [0,1,0,0,0,0|3,0,0]=4 892 B8R0.12 CC(=O)C(C)(C)OCF 7a_100000747739_100015361967 [0,1,0,0,0,0|3,0,0]=4 893 B8R0.12 CC(=O)C(C)(C)SCF 62a_100000075568_100015361967 [0,1,0,0,0,0|3,0,0]=4 894 B8R0.12 CC(=O)C(C)(C)SCF 62a_100015361967_100000075568 [0,1,0,0,0,0|3,0,0]=4 895 B8R0.12 CC(C)(CN[13CH3])C(=O)N 2230a_100000740840_200025704644 [0,1,0,0,0,0|2,0,0]=3 896 B8R0.12 CC(C)(CN[13CH3])C(=O)N 34a_100000740840_200025704644 [0,1,0,0,0,0|2,0,0]=3 897 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,1,0,0,0,0|1,0,0]=2 898 B8R0.12 CC(C)(CO[13CH3])[N+](=O)[O-] 34a_100000032158_200025704644 [0,1,0,0,0,0|2,0,1]=4 899 B8R0.12 CC(C)(CO[13CH3])[N+](=O)[O-] 7a_100000032158_200025704644 [0,1,0,0,0,0|2,0,1]=4 900 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200009895572_200025704644 [0,1,0,0,0,0|2,0,0]=3 901 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200025704644_200009895572 [0,1,0,0,0,0|2,0,0]=3 902 B8R0.12 CC(C)(NCF)C(=O)N 34a_100000743658_100015361967 [0,1,0,0,0,0|3,0,0]=4 903 B8R0.12 CC(C)(OCF)C(=O)N 34a_100011626353_100015361967 [0,1,0,0,0,0|3,0,0]=4 904 B8R0.12 CC(C)(OCF)C(=O)N 7a_100011626353_100015361967 [0,1,0,0,0,0|3,0,0]=4 905 B8R0.12 CC(C)(ON[13CH3])C(=O)O 269956a_100016989451_200025704644 [0,1,0,0,0,0|2,0,0]=3 906 B8R0.12 CC(C)(SCF)C(=O)N 62a_100000702505_100015361967 [0,1,0,0,0,0|3,0,0]=4 907 B8R0.12 CC(C)(SCF)C(=O)N 62a_100015361967_100000702505 [0,1,0,0,0,0|3,0,0]=4 908 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,1,0,0,0,0|1,0,0]=2 909 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,1,0,0,0,0|1,0,0]=2 910 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [0,1,0,0,0,0|2,0,0]=3 911 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [0,1,0,0,0,0|2,0,0]=3 912 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [0,1,0,0,0,0|2,0,0]=3 913 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,1,0,0,0,0|2,0,0]=3 914 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,1,0,0,0,0|2,0,0]=3 915 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,1,0,0,0,0|2,0,0]=3 916 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,1,0,0,0,0|2,0,0]=3 917 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,1,0,0,0,0|2,0,0]=3 918 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,1,0,0,0,0|2,0,0]=3 919 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,1,0,0,0,0|2,0,0]=3 920 B8R0.12 CCOC(F)(F)C(=O)[O-] 34a_100121572206_100020612412 [0,1,0,0,0,0|2,0,1]=4 921 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,1,0,0,0,0|2,0,0]=3 922 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,1,0,0,0,0|2,0,0]=3 923 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000210202_100000702505 [0,1,0,0,0,0|2,0,0]=3 924 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000702505_100000210202 [0,1,0,0,0,0|2,0,0]=3 925 B8R0.12 CCSC(C)(C)[N+](=O)[O-] 62a_100000210202_200009813997 [0,1,0,0,0,0|2,0,1]=4 926 B8R0.12 CCSC(C)(C)[N+](=O)[O-] 62a_200009813997_100000210202 [0,1,0,0,0,0|2,0,1]=4 927 B8R0.12 CCSC(F)(F)C(=O)N 62a_100000210202_100009811971 [0,1,0,0,0,0|3,0,0]=4 928 B8R0.12 CCSC(F)(F)C(=O)N 62a_100009811971_100000210202 [0,1,0,0,0,0|3,0,0]=4 929 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000210202_100000745680 [0,1,0,0,0,0|2,0,1]=4 930 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210202 [0,1,0,0,0,0|2,0,1]=4 931 B8R0.12 CNCC(C)(C)C(=O)N 2230a_100000740840_200000210301 [0,1,0,0,0,0|2,0,0]=3 932 B8R0.12 CNCC(C)(C)C(=O)N 34a_100000740840_200000210301 [0,1,0,0,0,0|2,0,0]=3 933 B8R0.12 CNCC(C)(C)C(=O)N 34a_100102657272_200009895572 [0,1,0,0,0,0|2,0,0]=3 934 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,1,0,0,0,0|1,0,0]=2 935 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,1,0,0,0,0|2,0,0]=3 936 B8R0.12 CNOC(C)(C)C(=O)O 269956a_100016989451_200000210301 [0,1,0,0,0,0|2,0,0]=3 937 B8R0.12 COCC(C)(C)C(=O)N 34a_100138415774_200009895572 [0,1,0,0,0,0|2,0,0]=3 938 B8R0.12 COCC(C)(C)[N+](=O)[O-] 34a_100000032158_200000210301 [0,1,0,0,0,0|2,0,1]=4 939 B8R0.12 COCC(C)(C)[N+](=O)[O-] 7a_100000032158_200000210301 [0,1,0,0,0,0|2,0,1]=4 940 B8R0.12 CSCC(C)(C)C(=O)N 62a_200000210301_200009895572 [0,1,0,0,0,0|2,0,0]=3 941 B8R0.12 CSCC(C)(C)C(=O)N 62a_200009895572_200000210301 [0,1,0,0,0,0|2,0,0]=3 942 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,1,0,0,0,0|2,0,0]=3 943 B8R0.14 CCCN(C)S(=O)(=O)C 40a_100000747261_100000738038 [0,1,0,0,0,0|2,0,1]=4 944 B8R0.14 CCNC(C)C(C)(C)O 269862a_100015525214_100000747739 [0,1,0,0,0,0|2,0,1]=4 945 B8R0.14 CCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210202 [0,1,0,0,0,0|2,0,1]=4 946 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,1,0,0,0,0|1,0,1]=3 947 B8R0.15 C=C[C@H](NCF)C(=O)O 269956a_100016992060_100015361967 [0,1,0,0,0,0|2,0,1]=4 948 B8R0.15 CCC(NCF)C(=O)N 34a_100000733705_100015361967 [0,1,0,0,0,0|3,0,0]=4 949 B8R0.15 CCC(SCF)C(=O)N 62a_100000750255_100015361967 [0,1,0,0,0,0|3,0,0]=4 950 B8R0.15 CCC(SCF)C(=O)N 62a_100015361967_100000750255 [0,1,0,0,0,0|3,0,0]=4 951 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,1,0,0,0,0|1,0,0]=2 952 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,1,0,0,0,0|1,0,0]=2 953 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,1,0,0,0,0|1,0,0]=2 954 B8R0.15 CCCC(CC)N(C)C 269982a_100102631434_100011219200 [0,1,0,0,0,0|3,0,0]=4 955 B8R0.15 CCCC(CC)N(C)C 270004a_100102631434_100000687865 [0,1,0,0,0,0|3,0,0]=4 956 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,1,0,0,0,0|1,0,0]=2 957 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,1,0,0,0,0|1,0,0]=2 958 B8R0.15 CCCC(OC)C(C)C 34a_200011215069_200000210301 [0,1,0,0,0,0|2,0,1]=4 959 B8R0.15 CCCC(OC)C(C)C 7a_200011215069_200000210301 [0,1,0,0,0,0|2,0,1]=4 960 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,1,0,0,0,0|1,0,0]=2 961 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,1,0,0,0,0|1,0,0]=2 962 B8R0.15 CCCC(O[13CH3])C(C)C 34a_200011215069_200025704644 [0,1,0,0,0,0|2,0,1]=4 963 B8R0.15 CCCC(O[13CH3])C(C)C 7a_200011215069_200025704644 [0,1,0,0,0,0|2,0,1]=4 964 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,1,0,0,0,0|2,0,0]=3 965 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,1,0,0,0,0|2,0,0]=3 966 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,1,0,0,0,0|2,0,0]=3 967 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,1,0,0,0,0|2,0,0]=3 968 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,1,0,0,0,0|1,0,0]=2 969 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,1,0,0,0,0|1,0,0]=2 970 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,1,0,0,0,0|0,0,0]=1 971 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,1,0,0,0,0|1,0,0]=2 972 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,1,0,0,0,0|1,0,0]=2 973 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,1,0,0,0,0|0,0,0]=1 974 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [0,1,0,0,0,0|3,0,0]=4 975 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [0,1,0,0,0,0|3,0,0]=4 976 B8R0.15 CCNC(C#N)C(=O)N 2230a_100000039599_100000210202 [0,1,0,0,0,0|2,0,1]=4 977 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,1,0,0,0,0|2,0,0]=3 978 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,1,0,0,0,0|2,0,0]=3 979 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,1,0,0,0,0|2,0,0]=3 980 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,1,0,0,0,0|1,0,0]=2 981 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210202 [0,1,0,0,0,0|2,0,1]=4 982 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210202 [0,1,0,0,0,0|2,0,1]=4 983 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [0,1,0,0,0,0|2,0,0]=3 984 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [0,1,0,0,0,0|2,0,0]=3 985 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,1,0,0,0,0|1,0,0]=2 986 B8R0.15 CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210202 [0,1,0,0,0,0|2,0,1]=4 987 B8R0.15 CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210202 [0,1,0,0,0,0|2,0,1]=4 988 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,1,0,0,0,0|2,0,0]=3 989 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,1,0,0,0,0|2,0,0]=3 990 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,1,0,0,0,0|2,0,0]=3 991 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,1,0,0,0,0|2,0,0]=3 992 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,1,0,0,0,0|1,0,0]=2 993 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,1,0,0,0,0|1,0,0]=2 994 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,1,0,0,0,0|1,0,0]=2 995 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,1,0,0,0,0|1,0,0]=2 996 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,1,0,0,0,0|1,0,0]=2 997 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,1,0,0,0,0|1,0,0]=2 998 B8R0.15 NC(=O)[C@H](CO)NCF 34a_100000729942_100015361967 [0,1,0,0,0,0|3,0,0]=4 999 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,1,0,0,0,0|2,0,0]=3 1000 B8R0.23 C=C(C)CN(C)C(=O)C 11a_100000225649_100015343762 [0,1,0,0,0,0|2,0,1]=4 1001 B8R0.23 C=C(C)CN(C)C(=O)C 1626a_100000225649_100015343762 [0,1,0,0,0,0|2,0,1]=4 1002 B8R0.23 C=C(C)CN(C)C(=O)C 527a_100000225649_100103153847 [0,1,0,0,0,0|2,0,1]=4 1003 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,0,0,0,0|1,0,0]=2 1004 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,1,0,0,0,0|2,0,0]=3 1005 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,0,0,0,0|2,0,0]=3 1006 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,0,0,0,0|2,0,0]=3 1007 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,0,0,0,0|2,0,0]=3 1008 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,0,0,0,0|2,0,0]=3 1009 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,1,0,0,0,0|2,0,1]=4 1010 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [0,1,0,0,0,0|2,0,1]=4 1011 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,1,0,0,0,0|2,0,1]=4 1012 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,1,0,0,0,0|2,0,0]=3 1013 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,1,0,0,0,0|2,0,0]=3 1014 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,1,0,0,0,0|2,0,0]=3 1015 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,1,0,0,0,0|2,0,0]=3 1016 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,1,0,0,0,0|2,0,0]=3 1017 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,1,0,0,0,0|2,0,0]=3 1018 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,1,0,0,0,0|2,0,1]=4 1019 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [0,1,0,0,0,0|2,0,1]=4 1020 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [0,1,0,0,0,0|2,0,1]=4 1021 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [0,1,0,0,0,0|2,0,1]=4 1022 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,1,0,0,0,0|2,0,1]=4 1023 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,0,0,0,0|2,0,1]=4 1024 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,0,0,0,0|2,0,1]=4 1025 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,0,0,0,0|2,0,1]=4 1026 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,0,0,0,0|2,0,0]=3 1027 B8R0.23 CC(C)CC(C)N(C)C 2230a_100000745462_200000210301 [0,1,0,0,0,0|3,0,0]=4 1028 B8R0.23 CC(C)CC(C)N(C)C 2230a_100102631434_100000731052 [0,1,0,0,0,0|3,0,0]=4 1029 B8R0.23 CC(C)CC(C)N(C)C 269982a_100000745462_200000210301 [0,1,0,0,0,0|3,0,0]=4 1030 B8R0.23 CC(C)CC(C)N(C)C 269982a_100102631434_100000731052 [0,1,0,0,0,0|3,0,0]=4 1031 B8R0.23 CC(C)CC(C)N(C)[13CH3] 2230a_100000745462_200025704644 [0,1,0,0,0,0|3,0,0]=4 1032 B8R0.23 CC(C)CC(C)N(C)[13CH3] 269982a_100000745462_200025704644 [0,1,0,0,0,0|3,0,0]=4 1033 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,0,0,0,0|2,0,0]=3 1034 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,1,0,0,0,0|2,0,0]=3 1035 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,1,0,0,0,0|2,0,0]=3 1036 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,1,0,0,0,0|3,0,0]=4 1037 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,1,0,0,0,0|3,0,0]=4 1038 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,1,0,0,0,0|2,0,1]=4 1039 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,0,0,0,0|1,0,0]=2 1040 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,1,0,0,0,0|2,0,0]=3 1041 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,1,0,0,0,0|2,0,0]=3 1042 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,1,0,0,0,0|2,0,0]=3 1043 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,1,0,0,0,0|3,0,0]=4 1044 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,1,0,0,0,0|2,0,1]=4 1045 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,1,0,0,0,0|1,0,1]=3 1046 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,1,0,0,0,0|2,0,0]=3 1047 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,1,0,0,0,0|2,0,0]=3 1048 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,1,0,0,0,0|2,0,0]=3 1049 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,1,0,0,0,0|2,0,0]=3 1050 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,1,0,0,0,0|3,0,0]=4 1051 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,1,0,0,0,0|3,0,0]=4 1052 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,1,0,0,0,0|2,0,1]=4 1053 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,1,0,0,0,0|2,0,1]=4 1054 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,1,0,0,0,0|2,0,0]=3 1055 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [0,1,0,0,0,0|2,0,1]=4 1056 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,0,0,1,0,0|3,0,0]=4 1057 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,0,0,1,0,0|3,0,0]=4 1058 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,0,0,1,0,0|3,0,0]=4 1059 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,0,0,1,0,0|3,0,0]=4 1060 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,0,0,1,0,0|3,0,0]=4 1061 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,0,0,1,0,0|3,0,0]=4 1062 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,1,0,0|1,0,2]=4 1063 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,0,0,1,0,0|1,0,2]=4 1064 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,1,0,0|1,0,0]=2 1065 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,1,0,0|1,0,0]=2 1066 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,1,0,0|2,0,0]=3 1067 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,0,0,1,0,0|2,0,0]=3 1068 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,0,0,1,0,0|2,0,0]=3 1069 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,0,1,0,0|2,0,0]=3 1070 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,0,1,0,0|2,0,0]=3 1071 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,0,0,1,0,0|3,0,0]=4 1072 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,0,0,1,0,0|3,0,0]=4 1073 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,0,0,1,0,0|3,0,0]=4 1074 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,1,0,0|2,0,0]=3 1075 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [0,0,0,1,0,0|3,0,0]=4 1076 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [0,0,0,1,0,0|3,0,0]=4 1077 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [0,0,0,1,0,0|3,0,0]=4 1078 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [0,0,0,1,0,0|3,0,0]=4 1079 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [0,0,0,1,0,0|3,0,0]=4 1080 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [0,0,0,1,0,0|3,0,0]=4 1081 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [0,0,0,1,0,0|3,0,0]=4 1082 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [0,0,0,1,0,0|3,0,0]=4 1083 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [0,0,0,1,0,0|3,0,0]=4 1084 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,1,0,0|1,0,2]=4 1085 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,0,0,1,0,0|1,0,2]=4 1086 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,1,0,0|1,0,0]=2 1087 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,1,0,0|2,0,0]=3 1088 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,0,0,1,0,0|2,0,0]=3 1089 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,1,0,0|2,0,0]=3 1090 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,0,0,1,0,0|2,0,0]=3 1091 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,0,0,1,0,0|2,0,0]=3 1092 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,0,0,1,0,0|2,0,0]=3 1093 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,0,0,1,0,0|3,0,0]=4 1094 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,0,0,1,0,0|3,0,0]=4 1095 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 2230a_200015306588_200000210301 [0,0,0,1,0,0|2,0,1]=4 1096 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 269982a_200015306588_200000210301 [0,0,0,1,0,0|2,0,1]=4 1097 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 2230a_200015306588_200025704644 [0,0,0,1,0,0|2,0,1]=4 1098 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 269982a_200015306588_200025704644 [0,0,0,1,0,0|2,0,1]=4 1099 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,0,0,1,0,0|1,0,2]=4 1100 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,0,0,1,0,0|1,0,2]=4 1101 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,1,0,0|1,0,0]=2 1102 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,0,0,1,0,0|2,0,0]=3 1103 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,0,0,1,0,0|2,0,0]=3 1104 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,0,0,1,0,0|2,0,0]=3 1105 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,0,0,1,0,0|2,0,0]=3 1106 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,0,0,1,0,0|2,0,0]=3 1107 B8R1.23 CC(=O)N1CC(C1)F 11a_100000690557_100015343762 [0,0,0,1,0,0|3,0,0]=4 1108 B8R1.23 CC(=O)N1CC(C1)F 240690a_100000690557_100015343762 [0,0,0,1,0,0|3,0,0]=4 1109 B8R1.23 CC(=O)N1CC(C1)F 527a_100000690557_100103153847 [0,0,0,1,0,0|3,0,0]=4 1110 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,0,0,1,0,0|3,0,0]=4 1111 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,0,0,1,0,0|3,0,0]=4 1112 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,0,0,1,0,0|3,0,0]=4 1113 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,0,0,1,0,0|2,0,0]=3 1114 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,1,0,0|1,0,0]=2 1115 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,0,0,1,0,0|2,0,0]=3 1116 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,0,0,1,0,0|2,0,0]=3 1117 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,0,0,1,0,0|2,0,0]=3 1118 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,0,0,1,0,0|2,0,0]=3 1119 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,0,0,1,0,0|2,0,0]=3 1120 B8R1.37 CCNC(C)C1CO1 270004a_100015525214_100000031964 [0,0,0,1,0,0|2,0,1]=4 1121 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [0,0,0,1,0,0|2,0,1]=4 1122 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,0,1,0,0|1,0,0]=2 1123 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,0,1,0,0|1,0,0]=2 1124 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [0,0,0,1,0,0|2,0,1]=4 1125 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210202 [0,0,0,1,0,0|2,0,1]=4 1126 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000204670 [0,0,0,1,0,0|2,0,1]=4 1127 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [0,0,0,1,0,0|2,0,0]=3 1128 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [0,0,0,1,0,0|2,0,0]=3 1129 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [0,0,0,1,0,0|2,0,0]=3 1130 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [0,0,0,1,0,0|2,0,0]=3 1131 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,0,0,1,0,0|1,0,0]=2 1132 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,0,0,1,0,0|2,0,0]=3 1133 B8R1.78 CC(=O)C1(COC1)C 1458a_100000094709_200000210301 [0,0,0,1,0,0|2,0,0]=3 1134 B8R1.78 CC(=O)C1(COC1)O 1458a_100010273515_200000210301 [0,0,0,1,0,0|3,0,0]=4 1135 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,0,0,1,0,0|1,0,0]=2 1136 B8R1.78 CC1(COC1)C(=O)[13CH3] 1458a_100000094709_200025704644 [0,0,0,1,0,0|2,0,0]=3 1137 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,0,0,1,0,0|2,0,0]=3 1138 B8R1.78 [13CH3]C(=O)C1(COC1)O 1458a_100010273515_200025704644 [0,0,0,1,0,0|3,0,0]=4 1139 B8R0.5 C#CCN(C)CC(=O)O 269956a_100000746989_100000184674 [0,0,0,0,0,1|1,0,2]=4 1140 B8R0.5 C#CCN(C)CC(=O)O 269956a_100011236498_200000210301 [0,0,0,0,0,1|1,0,2]=4 1141 B8R0.5 C#CCN([13CH3])CC(=O)O 269956a_100011236498_200025704644 [0,0,0,0,0,1|1,0,2]=4 1142 B8R0.5 C=C(C)CN(C)CCC 2230a_100000225649_100000210303 [0,0,0,0,0,1|3,0,0]=4 1143 B8R0.5 C=C(C)CN(C)CCC 2230a_100000747261_100000748629 [0,0,0,0,0,1|3,0,0]=4 1144 B8R0.5 C=C(C)CN(C)CCC 269982a_100000225649_100000210303 [0,0,0,0,0,1|3,0,0]=4 1145 B8R0.5 C=C(C)CN(C)CCC 269982a_100000747261_100000748629 [0,0,0,0,0,1|3,0,0]=4 1146 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,0,0,0,0,1|1,0,2]=4 1147 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,0,0,0,0,1|1,0,2]=4 1148 B8R0.5 C=C(F)CN(C)CCC 2230a_100000747261_100009893438 [0,0,0,0,0,1|3,0,0]=4 1149 B8R0.5 C=C(F)CN(C)CCC 269982a_100000747261_100009893438 [0,0,0,0,0,1|3,0,0]=4 1150 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [0,0,0,0,0,1|1,0,2]=4 1151 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [0,0,0,0,0,1|1,0,2]=4 1152 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [0,0,0,0,0,1|1,0,2]=4 1153 B8R0.5 CC(=O)N[C@@H](C)CC#N 11a_100016994482_100015343762 [0,0,0,0,0,1|2,0,1]=4 1154 B8R0.5 CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100015343762 [0,0,0,0,0,1|2,0,1]=4 1155 B8R0.5 CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100015343762 [0,0,0,0,0,1|2,0,1]=4 1156 B8R0.5 CC(=O)N[C@@H](C)CC#N 527a_100016994482_100103153847 [0,0,0,0,0,1|2,0,1]=4 1157 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,0,0,0,0,1|2,0,0]=3 1158 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,0,0,0,0,1|2,0,0]=3 1159 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,0,0,0,0,1|3,0,0]=4 1160 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,0,0,0,0,1|3,0,0]=4 1161 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,0,0,0,0,1|1,0,1]=3 1162 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,0,0,0,0,1|1,0,1]=3 1163 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,0,0,0,1|2,0,1]=4 1164 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,0,0,0,0,1|2,0,1]=4 1165 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,0,0,0,0,1|2,0,1]=4 1166 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,0,0,0,0,1|1,0,2]=4 1167 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,0,0,0,0,1|1,0,0]=2 1168 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,0,0,0,0,1|1,0,0]=2 1169 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,0,0,0,0,1|1,0,0]=2 1170 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [0,0,0,0,0,1|3,0,0]=4 1171 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [0,0,0,0,0,1|3,0,0]=4 1172 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [0,0,0,0,0,1|3,0,0]=4 1173 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,0,0,0,0,1|1,0,0]=2 1174 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,0,0,0,0,1|1,0,0]=2 1175 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,0,0,0,0,1|1,0,0]=2 1176 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,0,0,0,0,1|1,0,0]=2 1177 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [0,0,0,0,0,1|2,0,1]=4 1178 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [0,0,0,0,0,1|2,0,1]=4 1179 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [0,0,0,0,0,1|2,0,1]=4 1180 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,0,0,0,0,1|2,0,1]=4 1181 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,0,0,0,0,1|2,0,1]=4 1182 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,0,0,0,0,1|2,0,1]=4 1183 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [0,0,0,0,0,1|2,0,1]=4 1184 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [0,0,0,0,0,1|2,0,1]=4 1185 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,0,0,0,0,1|2,0,0]=3 1186 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,0,0,0,0,1|2,0,0]=3 1187 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,0,0,0,0,1|2,0,0]=3 1188 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,0,0,0,0,1|1,0,0]=2 1189 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,0,0,0,0,1|1,0,1]=3 1190 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [0,0,0,0,0,1|2,0,1]=4 1191 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [0,0,0,0,0,1|2,0,1]=4 1192 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [0,0,0,0,0,1|2,0,1]=4 1193 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [0,0,0,0,0,1|2,0,1]=4 1194 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [0,0,0,0,0,1|2,0,1]=4 1195 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [0,0,0,0,0,1|2,0,1]=4 1196 B8R0.5 CCCN(C)C[N+](=O)[O-] 269982a_100000747261_100000761209 [0,0,0,0,0,1|2,0,1]=4 1197 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,0,0,0,0,1|3,0,0]=4 1198 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,0,0,0,0,1|3,0,0]=4 1199 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,0,0,0,0,1|3,0,0]=4 1200 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,0,0,0,0,1|2,0,0]=3 1201 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,0,0,0,0,1|2,0,0]=3 1202 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,0,0,0,0,1|2,0,0]=3 1203 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,0,0,0,0,1|2,0,0]=3 1204 B8R0.5 CN(CC#N)CC(=O)O 269956a_100000746989_100011215382 [0,0,0,0,0,1|2,0,1]=4 1205 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [0,0,0,0,0,1|2,0,1]=4 1206 B8R0.5 CN(CCF)CC(=O)N 2230a_100000739694_100011217306 [0,0,0,0,0,1|3,0,0]=4 1207 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,0,0,0,0,1|2,0,0]=3 1208 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [0,0,0,0,0,1|3,0,0]=4 1209 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [0,0,0,0,0,1|3,0,0]=4 1210 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [0,0,0,0,0,1|3,0,0]=4 1211 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,0,0,0,0,1|2,0,0]=3 1212 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,0,0,0,0,1|2,0,0]=3 1213 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [0,0,0,0,0,1|2,0,1]=4 1214 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,0,0,0,0,1|2,0,0]=3 1215 B8R0.5 COCN(C)CC(=O)N 2230a_100000739694_100000766300 [0,0,0,0,0,1|3,0,0]=4 1216 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,0,0,0,0,1|2,0,0]=3 1217 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,0,0,0,0,1|2,0,0]=3 1218 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,0,0,0,0,1|2,0,0]=3 1219 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,0,0,0,0,1|2,0,0]=3 1220 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,0,0,0,0,1|2,0,0]=3 1221 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [0,0,0,0,0,1|3,0,0]=4 1222 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,0,0,0,0,1|2,0,0]=3 1223 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,0,0,0,0,1|2,0,0]=3 1224 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,0,0,0,0,1|2,0,0]=3 1225 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [2,0,0,0,0,0|1,0,1]=4 1226 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [2,0,0,0,0,0|1,0,1]=4 1227 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [2,0,0,0,0,0|1,0,1]=4 1228 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [2,0,0,0,0,0|1,0,1]=4 1229 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [2,0,0,0,0,0|1,0,1]=4 1230 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [2,0,0,0,0,0|1,0,1]=4 1231 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [2,0,0,0,0,0|1,0,1]=4 1232 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [2,0,0,0,0,0|1,0,1]=4 1233 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [2,0,0,0,0,0|1,0,1]=4 1234 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [2,0,0,0,0,0|1,0,1]=4 1235 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|1,0,1]=4 1236 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,1]=4 1237 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,1]=4 1238 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|1,0,1]=4 1239 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [2,0,0,0,0,0|2,0,0]=4 1240 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [2,0,0,0,0,0|1,0,1]=4 1241 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [2,0,0,0,0,0|1,0,1]=4 1242 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|1,0,1]=4 1243 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|1,0,1]=4 1244 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|1,0,1]=4 1245 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [2,0,0,0,0,0|2,0,0]=4 1246 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [2,0,0,0,0,0|1,0,0]=3 1247 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [2,0,0,0,0,0|1,0,0]=3 1248 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [2,0,0,0,0,0|1,0,0]=3 1249 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [2,0,0,0,0,0|1,0,0]=3 1250 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|0,0,1]=3 1251 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|0,0,1]=3 1252 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|0,0,1]=3 1253 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|1,0,1]=4 1254 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|1,0,1]=4 1255 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|1,0,1]=4 1256 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|1,0,1]=4 1257 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|1,0,1]=4 1258 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|1,0,1]=4 1259 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,1]=4 1260 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,1]=4 1261 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,1]=4 1262 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [2,0,0,0,0,0|1,0,1]=4 1263 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [2,0,0,0,0,0|1,0,1]=4 1264 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [2,0,0,0,0,0|1,0,1]=4 1265 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|1,0,1]=4 1266 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|1,0,1]=4 1267 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [2,0,0,0,0,0|1,0,1]=4 1268 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [2,0,0,0,0,0|1,0,1]=4 1269 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1270 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 1271 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 1272 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 1273 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 1274 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 1275 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [2,0,0,0,0,0|1,0,1]=4 1276 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [2,0,0,0,0,0|1,0,1]=4 1277 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [2,0,0,0,0,0|1,0,1]=4 1278 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [2,0,0,0,0,0|1,0,1]=4 1279 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [2,0,0,0,0,0|1,0,1]=4 1280 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [2,0,0,0,0,0|1,0,1]=4 1281 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [2,0,0,0,0,0|1,0,0]=3 1282 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [2,0,0,0,0,0|1,0,0]=3 1283 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [2,0,0,0,0,0|1,0,0]=3 1284 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [2,0,0,0,0,0|1,0,0]=3 1285 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [2,0,0,0,0,0|1,0,0]=3 1286 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [2,0,0,0,0,0|1,0,0]=3 1287 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [2,0,0,0,0,0|1,0,0]=3 1288 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [2,0,0,0,0,0|1,0,0]=3 1289 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|1,0,1]=4 1290 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|1,0,1]=4 1291 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 1292 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|1,0,1]=4 1293 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 1294 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [2,0,0,0,0,0|2,0,0]=4 1295 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|1,0,1]=4 1296 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|1,0,1]=4 1297 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [2,0,0,0,0,0|2,0,0]=4 1298 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [2,0,0,0,0,0|1,0,0]=3 1299 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [2,0,0,0,0,0|2,0,0]=4 1300 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [2,0,0,0,0,0|2,0,0]=4 1301 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [2,0,0,0,0,0|1,0,0]=3 1302 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|1,0,1]=4 1303 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 1304 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 1305 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|1,0,1]=4 1306 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 1307 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 1308 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|1,0,1]=4 1309 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|1,0,1]=4 1310 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [2,0,0,0,0,0|1,0,0]=3 1311 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [2,0,0,0,0,0|1,0,0]=3 1312 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [2,0,0,0,0,0|1,0,0]=3 1313 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [2,0,0,0,0,0|1,0,0]=3 1314 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [2,0,0,0,0,0|2,0,0]=4 1315 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [2,0,0,0,0,0|2,0,0]=4 1316 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [2,0,0,0,0,0|1,0,0]=3 1317 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [2,0,0,0,0,0|1,0,0]=3 1318 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,1]=4 1319 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1320 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 1321 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 1322 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 1323 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 1324 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 1325 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|2,0,0]=4 1326 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|2,0,0]=4 1327 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|2,0,0]=4 1328 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|2,0,0]=4 1329 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|2,0,0]=4 1330 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|2,0,0]=4 1331 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|2,0,0]=4 1332 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|2,0,0]=4 1333 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|2,0,0]=4 1334 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|2,0,0]=4 1335 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|2,0,0]=4 1336 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|2,0,0]=4 1337 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|2,0,0]=4 1338 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|2,0,0]=4 1339 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|2,0,0]=4 1340 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|2,0,0]=4 1341 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|2,0,0]=4 1342 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|2,0,0]=4 1343 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1344 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|2,0,0]=4 1345 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|2,0,0]=4 1346 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|2,0,0]=4 1347 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|2,0,0]=4 1348 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1349 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|2,0,0]=4 1350 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|2,0,0]=4 1351 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|2,0,0]=4 1352 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|2,0,0]=4 1353 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|2,0,0]=4 1354 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|2,0,0]=4 1355 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|2,0,0]=4 1356 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|2,0,0]=4 1357 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|2,0,0]=4 1358 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|2,0,0]=4 1359 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,0]=3 1360 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|1,0,1]=4 1361 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|1,0,1]=4 1362 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|1,0,1]=4 1363 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,0]=3 1364 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,0,1]=4 1365 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,0]=3 1366 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,0]=3 1367 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,0,1]=4 1368 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,0,1]=4 1369 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|1,0,1]=4 1370 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|1,0,1]=4 1371 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|1,0,1]=4 1372 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|1,0,1]=4 1373 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|1,0,1]=4 1374 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|1,0,1]=4 1375 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [2,0,0,0,0,0|2,0,0]=4 1376 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [2,0,0,0,0,0|2,0,0]=4 1377 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|1,0,1]=4 1378 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|1,0,1]=4 1379 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [2,0,0,0,0,0|2,0,0]=4 1380 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [2,0,0,0,0,0|2,0,0]=4 1381 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [2,0,0,0,0,0|2,0,0]=4 1382 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [2,0,0,0,0,0|2,0,0]=4 1383 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [2,0,0,0,0,0|1,0,1]=4 1384 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [2,0,0,0,0,0|2,0,0]=4 1385 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [2,0,0,0,0,0|2,0,0]=4 1386 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [2,0,0,0,0,0|2,0,0]=4 1387 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [2,0,0,0,0,0|2,0,0]=4 1388 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [2,0,0,0,0,0|2,0,0]=4 1389 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [2,0,0,0,0,0|2,0,0]=4 1390 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [2,0,0,0,0,0|2,0,0]=4 1391 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [2,0,0,0,0,0|2,0,0]=4 1392 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1393 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [2,0,0,0,0,0|2,0,0]=4 1394 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1395 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [2,0,0,0,0,0|2,0,0]=4 1396 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [2,0,0,0,0,0|1,0,1]=4 1397 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [2,0,0,0,0,0|1,0,1]=4 1398 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [2,0,0,0,0,0|1,0,1]=4 1399 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [2,0,0,0,0,0|1,0,1]=4 1400 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [2,0,0,0,0,0|1,0,1]=4 1401 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [2,0,0,0,0,0|1,0,1]=4 1402 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [2,0,0,0,0,0|1,0,1]=4 1403 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [2,0,0,0,0,0|1,0,1]=4 1404 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [2,0,0,0,0,0|1,0,1]=4 1405 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [2,0,0,0,0,0|1,0,1]=4 1406 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [2,0,0,0,0,0|1,0,1]=4 1407 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [2,0,0,0,0,0|1,0,0]=3 1408 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [2,0,0,0,0,0|1,0,0]=3 1409 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [2,0,0,0,0,0|2,0,0]=4 1410 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [2,0,0,0,0,0|2,0,0]=4 1411 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [2,0,0,0,0,0|2,0,0]=4 1412 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [2,0,0,0,0,0|2,0,0]=4 1413 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [2,0,0,0,0,0|2,0,0]=4 1414 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [2,0,0,0,0,0|2,0,0]=4 1415 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [2,0,0,0,0,0|2,0,0]=4 1416 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [2,0,0,0,0,0|1,0,0]=3 1417 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [2,0,0,0,0,0|2,0,0]=4 1418 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [2,0,0,0,0,0|2,0,0]=4 1419 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [2,0,0,0,0,0|2,0,0]=4 1420 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [1,1,0,0,0,0|1,0,1]=4 1421 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [1,1,0,0,0,0|1,0,1]=4 1422 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [1,1,0,0,0,0|2,0,0]=4 1423 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [1,1,0,0,0,0|2,0,0]=4 1424 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,1,0,0,0,0|0,0,2]=4 1425 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [1,1,0,0,0,0|2,0,0]=4 1426 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,1,0,0,0,0|2,0,0]=4 1427 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,1,0,0,0,0|2,0,0]=4 1428 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [1,1,0,0,0,0|2,0,0]=4 1429 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [1,1,0,0,0,0|2,0,0]=4 1430 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [1,1,0,0,0,0|1,0,1]=4 1431 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [1,1,0,0,0,0|1,0,1]=4 1432 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [1,1,0,0,0,0|1,0,1]=4 1433 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [1,1,0,0,0,0|1,0,1]=4 1434 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [1,1,0,0,0,0|1,0,1]=4 1435 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [1,1,0,0,0,0|1,0,1]=4 1436 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [1,1,0,0,0,0|1,0,1]=4 1437 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [1,1,0,0,0,0|2,0,0]=4 1438 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [1,1,0,0,0,0|2,0,0]=4 1439 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [1,1,0,0,0,0|2,0,0]=4 1440 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [1,1,0,0,0,0|2,0,0]=4 1441 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,1,0,0,0,0|2,0,0]=4 1442 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,1,0,0,0,0|2,0,0]=4 1443 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,1,0,0,0,0|2,0,0]=4 1444 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [1,1,0,0,0,0|2,0,0]=4 1445 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [1,1,0,0,0,0|2,0,0]=4 1446 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [1,1,0,0,0,0|1,0,1]=4 1447 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [1,1,0,0,0,0|1,0,1]=4 1448 B7R0.3 C#CC(C)NCCC 2230a_100000707721_100000210303 [1,1,0,0,0,0|1,0,1]=4 1449 B7R0.3 C#CC(C)NCCC 34a_100000707721_100000210303 [1,1,0,0,0,0|1,0,1]=4 1450 B7R0.3 C#CC(C)OCCC 34a_100000210258_200000035995 [1,1,0,0,0,0|1,0,1]=4 1451 B7R0.3 C#CC(C)SCCC 62a_200000035995_100000210303 [1,1,0,0,0,0|1,0,1]=4 1452 B7R0.3 C#C[C@@H](C)OCCC 34a_100009815206_100000210303 [1,1,0,0,0,0|1,0,1]=4 1453 B7R0.3 C#C[C@@H](C)OCCC 7a_100009815206_100000210303 [1,1,0,0,0,0|1,0,1]=4 1454 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,1,0,0,0,0|1,0,0]=3 1455 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,1,0,0,0,0|1,0,0]=3 1456 B7R0.3 C=CC(C)COCF 34a_100011215527_100015361967 [1,1,0,0,0,0|2,0,0]=4 1457 B7R0.3 C=CC(C)COCF 7a_100011215527_100015361967 [1,1,0,0,0,0|2,0,0]=4 1458 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,1,0,0,0,0|1,0,0]=3 1459 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [1,1,0,0,0,0|2,0,0]=4 1460 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [1,1,0,0,0,0|2,0,0]=4 1461 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [1,1,0,0,0,0|2,0,0]=4 1462 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,1,0,0,0,0|1,0,0]=3 1463 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [1,1,0,0,0,0|2,0,0]=4 1464 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [1,1,0,0,0,0|2,0,0]=4 1465 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [1,1,0,0,0,0|2,0,0]=4 1466 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [1,1,0,0,0,0|2,0,0]=4 1467 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [1,1,0,0,0,0|2,0,0]=4 1468 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [1,1,0,0,0,0|2,0,0]=4 1469 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [1,1,0,0,0,0|2,0,0]=4 1470 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [1,1,0,0,0,0|2,0,0]=4 1471 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [1,1,0,0,0,0|2,0,0]=4 1472 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [1,1,0,0,0,0|2,0,0]=4 1473 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [1,1,0,0,0,0|2,0,0]=4 1474 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [1,1,0,0,0,0|0,0,1]=3 1475 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|0,0,1]=3 1476 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [1,1,0,0,0,0|1,0,1]=4 1477 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [1,1,0,0,0,0|1,0,1]=4 1478 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [1,1,0,0,0,0|1,0,1]=4 1479 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [1,1,0,0,0,0|1,0,1]=4 1480 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [1,1,0,0,0,0|1,0,1]=4 1481 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [1,1,0,0,0,0|1,0,1]=4 1482 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [1,1,0,0,0,0|1,0,1]=4 1483 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [1,1,0,0,0,0|1,0,1]=4 1484 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,1,0,0,0,0|1,0,1]=4 1485 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,1,0,0,0,0|1,0,1]=4 1486 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,1,0,0,0,0|1,0,1]=4 1487 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,1,0,0,0,0|1,0,1]=4 1488 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,1,0,0,0,0|2,0,0]=4 1489 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,1,0,0,0,0|2,0,0]=4 1490 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,1,0,0,0,0|2,0,0]=4 1491 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,1,0,0,0,0|2,0,0]=4 1492 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,1,0,0,0,0|2,0,0]=4 1493 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,1,0,0,0,0|2,0,0]=4 1494 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,1,0,0,0,0|2,0,0]=4 1495 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,1,0,0,0,0|2,0,0]=4 1496 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,1,0,0,0,0|2,0,0]=4 1497 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,1,0,0,0,0|2,0,0]=4 1498 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,1,0,0,0,0|2,0,0]=4 1499 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,1,0,0,0,0|2,0,0]=4 1500 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,1,0,0,0,0|2,0,0]=4 1501 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,1,0,0,0,0|2,0,0]=4 1502 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,1,0,0,0,0|2,0,0]=4 1503 B7R0.3 CCCNC(C)C#N 2230a_100000737613_100000210303 [1,1,0,0,0,0|1,0,1]=4 1504 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,1,0,0,0,0|1,0,1]=4 1505 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,1,0,0,0,0|0,0,1]=3 1506 B7R0.3 CCCOC(C)C#N 34a_100011218135_100000210303 [1,1,0,0,0,0|1,0,1]=4 1507 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,1,0,0,0,0|1,0,1]=4 1508 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,1,0,0,0,0|1,0,1]=4 1509 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [1,1,0,0,0,0|1,0,1]=4 1510 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [1,1,0,0,0,0|1,0,1]=4 1511 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [1,1,0,0,0,0|1,0,1]=4 1512 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,1,0,0,0,0|0,0,1]=3 1513 B7R0.3 CCCSC(C)C#N 62a_100000210303_100000703298 [1,1,0,0,0,0|1,0,1]=4 1514 B7R0.3 CCCSC(C)C#N 62a_100000703298_100000210303 [1,1,0,0,0,0|1,0,1]=4 1515 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,1,0,0,0,0|1,0,1]=4 1516 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,1,0,0,0,0|1,0,1]=4 1517 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,1,0,0,0,0|0,0,1]=3 1518 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,1,0,0,0,0|2,0,0]=4 1519 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,1,0,0,0,0|2,0,0]=4 1520 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,1,0,0,0,0|0,0,1]=3 1521 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,1,0,0,0,0|0,0,1]=3 1522 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,1,0,0,0,0|1,0,1]=4 1523 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,1,0,0,0,0|1,0,1]=4 1524 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,1,0,0,0,0|1,0,1]=4 1525 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,1,0,0,0,0|0,0,1]=3 1526 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [1,1,0,0,0,0|1,0,1]=4 1527 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,1,0,0,0,0|1,0,1]=4 1528 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,1,0,0,0,0|0,0,1]=3 1529 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [1,1,0,0,0,0|2,0,0]=4 1530 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [1,1,0,0,0,0|1,0,1]=4 1531 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [1,1,0,0,0,0|1,0,1]=4 1532 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [1,1,0,0,0,0|1,0,1]=4 1533 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,1,0,0,0,0|1,0,1]=4 1534 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [1,1,0,0,0,0|1,0,1]=4 1535 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [1,1,0,0,0,0|2,0,0]=4 1536 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [1,1,0,0,0,0|2,0,0]=4 1537 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [1,1,0,0,0,0|2,0,0]=4 1538 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [1,1,0,0,0,0|2,0,0]=4 1539 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [1,1,0,0,0,0|2,0,0]=4 1540 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [1,1,0,0,0,0|1,0,1]=4 1541 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,1,0,0,0,0|1,0,1]=4 1542 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,1,0,0,0,0|1,0,1]=4 1543 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,1,0,0,0,0|0,0,1]=3 1544 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [1,1,0,0,0,0|1,0,1]=4 1545 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,1,0,0,0,0|1,0,1]=4 1546 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,1,0,0,0,0|1,0,1]=4 1547 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [1,1,0,0,0,0|2,0,0]=4 1548 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [1,1,0,0,0,0|1,0,1]=4 1549 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [1,1,0,0,0,0|1,0,1]=4 1550 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,1,0,0,0,0|1,0,1]=4 1551 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,1,0,0,0,0|1,0,1]=4 1552 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,1,0,0,0,0|0,0,1]=3 1553 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,1,0,0,0,0|0,0,1]=3 1554 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [1,1,0,0,0,0|1,0,1]=4 1555 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [1,1,0,0,0,0|1,0,1]=4 1556 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [1,1,0,0,0,0|2,0,0]=4 1557 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [1,1,0,0,0,0|2,0,0]=4 1558 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [1,1,0,0,0,0|0,0,1]=3 1559 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [1,1,0,0,0,0|0,0,1]=3 1560 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [1,1,0,0,0,0|2,0,0]=4 1561 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [1,1,0,0,0,0|2,0,0]=4 1562 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,1,0,0,0,0|2,0,0]=4 1563 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,1,0,0,0,0|2,0,0]=4 1564 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [1,1,0,0,0,0|1,0,1]=4 1565 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [1,1,0,0,0,0|1,0,1]=4 1566 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [1,1,0,0,0,0|1,0,1]=4 1567 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [1,1,0,0,0,0|1,0,1]=4 1568 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [1,1,0,0,0,0|1,0,1]=4 1569 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [1,1,0,0,0,0|1,0,1]=4 1570 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [1,1,0,0,0,0|1,0,1]=4 1571 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [1,1,0,0,0,0|1,0,1]=4 1572 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [1,1,0,0,0,0|1,0,1]=4 1573 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [1,1,0,0,0,0|1,0,1]=4 1574 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [1,1,0,0,0,0|1,0,1]=4 1575 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [1,1,0,0,0,0|1,0,1]=4 1576 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [1,1,0,0,0,0|1,0,1]=4 1577 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [1,1,0,0,0,0|1,0,1]=4 1578 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [1,1,0,0,0,0|1,0,1]=4 1579 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [1,1,0,0,0,0|1,0,1]=4 1580 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [1,1,0,0,0,0|2,0,0]=4 1581 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [1,1,0,0,0,0|2,0,0]=4 1582 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [1,1,0,0,0,0|2,0,0]=4 1583 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [1,1,0,0,0,0|2,0,0]=4 1584 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [1,1,0,0,0,0|2,0,0]=4 1585 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [1,1,0,0,0,0|2,0,0]=4 1586 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [1,1,0,0,0,0|2,0,0]=4 1587 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [1,1,0,0,0,0|2,0,0]=4 1588 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [1,1,0,0,0,0|2,0,0]=4 1589 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [1,1,0,0,0,0|2,0,0]=4 1590 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [1,1,0,0,0,0|2,0,0]=4 1591 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|1,0,1]=4 1592 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [1,1,0,0,0,0|1,0,1]=4 1593 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [1,1,0,0,0,0|1,0,1]=4 1594 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [1,1,0,0,0,0|1,0,1]=4 1595 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [1,1,0,0,0,0|1,0,1]=4 1596 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [1,1,0,0,0,0|0,0,1]=3 1597 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [1,1,0,0,0,0|0,0,1]=3 1598 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [1,1,0,0,0,0|0,0,1]=3 1599 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [1,1,0,0,0,0|0,0,1]=3 1600 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [1,1,0,0,0,0|0,0,1]=3 1601 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [1,1,0,0,0,0|0,1,1]=4 1602 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [1,1,0,0,0,0|0,1,1]=4 1603 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [1,1,0,0,0,0|0,1,1]=4 1604 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [1,1,0,0,0,0|0,1,1]=4 1605 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,1,0,0,0,0|1,0,1]=4 1606 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,1,0,0,0,0|1,0,1]=4 1607 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,1,0,0,0,0|1,0,1]=4 1608 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 1609 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,1,0,0,0,0|1,0,1]=4 1610 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 1611 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [1,1,0,0,0,0|1,0,1]=4 1612 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [1,1,0,0,0,0|1,0,1]=4 1613 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,1,0,0,0,0|1,0,1]=4 1614 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,1,0,0,0,0|1,0,1]=4 1615 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [1,1,0,0,0,0|1,0,1]=4 1616 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [1,1,0,0,0,0|1,0,1]=4 1617 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [1,1,0,0,0,0|1,0,0]=3 1618 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [1,1,0,0,0,0|1,0,0]=3 1619 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [1,1,0,0,0,0|1,0,1]=4 1620 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [1,1,0,0,0,0|1,0,1]=4 1621 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [1,1,0,0,0,0|1,0,1]=4 1622 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [1,1,0,0,0,0|1,0,1]=4 1623 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [1,1,0,0,0,0|1,0,1]=4 1624 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [1,1,0,0,0,0|1,0,1]=4 1625 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [1,1,0,0,0,0|1,0,1]=4 1626 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [1,1,0,0,0,0|1,0,1]=4 1627 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [1,1,0,0,0,0|1,0,1]=4 1628 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [1,1,0,0,0,0|1,0,1]=4 1629 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [1,1,0,0,0,0|1,0,1]=4 1630 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|1,0,1]=4 1631 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [1,1,0,0,0,0|1,0,1]=4 1632 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [1,1,0,0,0,0|1,0,1]=4 1633 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [1,1,0,0,0,0|1,0,1]=4 1634 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [1,1,0,0,0,0|1,0,1]=4 1635 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [1,1,0,0,0,0|1,0,1]=4 1636 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [1,1,0,0,0,0|1,0,1]=4 1637 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,1,0,0,0,0|1,0,1]=4 1638 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [1,1,0,0,0,0|1,0,1]=4 1639 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [1,1,0,0,0,0|1,0,1]=4 1640 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [1,1,0,0,0,0|1,0,1]=4 1641 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [1,1,0,0,0,0|1,0,1]=4 1642 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [1,1,0,0,0,0|1,0,1]=4 1643 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [1,1,0,0,0,0|1,0,1]=4 1644 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [1,1,0,0,0,0|2,0,0]=4 1645 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [1,1,0,0,0,0|2,0,0]=4 1646 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [1,1,0,0,0,0|1,0,1]=4 1647 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [1,1,0,0,0,0|1,0,1]=4 1648 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [1,1,0,0,0,0|2,0,0]=4 1649 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [1,1,0,0,0,0|2,0,0]=4 1650 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [1,1,0,0,0,0|2,0,0]=4 1651 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [1,1,0,0,0,0|2,0,0]=4 1652 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [1,1,0,0,0,0|2,0,0]=4 1653 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [1,1,0,0,0,0|2,0,0]=4 1654 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [1,1,0,0,0,0|2,0,0]=4 1655 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [1,1,0,0,0,0|2,0,0]=4 1656 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [1,1,0,0,0,0|2,0,0]=4 1657 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [1,1,0,0,0,0|1,0,1]=4 1658 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [1,1,0,0,0,0|1,0,1]=4 1659 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [1,1,0,0,0,0|1,0,1]=4 1660 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [1,1,0,0,0,0|1,0,1]=4 1661 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [1,1,0,0,0,0|1,0,1]=4 1662 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [1,1,0,0,0,0|1,0,1]=4 1663 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [1,1,0,0,0,0|1,0,1]=4 1664 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [1,1,0,0,0,0|1,0,1]=4 1665 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [1,1,0,0,0,0|2,0,0]=4 1666 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [1,1,0,0,0,0|2,0,0]=4 1667 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [1,1,0,0,0,0|1,0,1]=4 1668 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [1,1,0,0,0,0|1,0,1]=4 1669 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [1,1,0,0,0,0|1,0,1]=4 1670 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [1,1,0,0,0,0|2,0,0]=4 1671 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [1,1,0,0,0,0|2,0,0]=4 1672 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [1,1,0,0,0,0|1,0,1]=4 1673 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [1,1,0,0,0,0|1,0,1]=4 1674 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [1,1,0,0,0,0|1,0,1]=4 1675 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [1,1,0,0,0,0|1,0,1]=4 1676 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [1,1,0,0,0,0|1,0,1]=4 1677 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [1,1,0,0,0,0|1,0,1]=4 1678 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [1,1,0,0,0,0|1,0,1]=4 1679 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [1,1,0,0,0,0|1,0,1]=4 1680 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [1,1,0,0,0,0|1,0,1]=4 1681 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [1,1,0,0,0,0|1,0,1]=4 1682 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [1,1,0,0,0,0|1,0,1]=4 1683 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [1,1,0,0,0,0|2,0,0]=4 1684 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [1,1,0,0,0,0|2,0,0]=4 1685 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [1,1,0,0,0,0|1,0,0]=3 1686 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [1,1,0,0,0,0|1,0,0]=3 1687 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [1,1,0,0,0,0|1,0,0]=3 1688 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [1,1,0,0,0,0|1,0,0]=3 1689 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [1,1,0,0,0,0|2,0,0]=4 1690 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [1,1,0,0,0,0|2,0,0]=4 1691 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [1,1,0,0,0,0|1,0,1]=4 1692 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [1,1,0,0,0,0|1,0,1]=4 1693 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [1,1,0,0,0,0|1,0,1]=4 1694 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [1,1,0,0,0,0|1,0,1]=4 1695 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [1,1,0,0,0,0|1,0,1]=4 1696 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [1,1,0,0,0,0|1,0,1]=4 1697 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [1,1,0,0,0,0|1,0,1]=4 1698 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [1,1,0,0,0,0|1,0,1]=4 1699 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,1,0,0,0,0|1,0,1]=4 1700 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,1,0,0,0,0|1,0,1]=4 1701 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,1,0,0,0,0|1,0,1]=4 1702 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,1,0,0,0,0|1,0,1]=4 1703 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [1,1,0,0,0,0|1,0,1]=4 1704 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [1,1,0,0,0,0|1,0,1]=4 1705 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [1,1,0,0,0,0|1,0,1]=4 1706 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [1,1,0,0,0,0|1,0,1]=4 1707 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [1,1,0,0,0,0|0,0,1]=3 1708 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [1,1,0,0,0,0|0,0,1]=3 1709 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [1,1,0,0,0,0|0,0,1]=3 1710 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|0,0,1]=3 1711 B7R0.12 CCNC(C=O)C=O 2230a_100015525214_100000736813 [1,1,0,0,0,0|1,0,1]=4 1712 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [1,1,0,0,0,0|1,0,1]=4 1713 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [1,1,0,0,0,0|1,0,1]=4 1714 B7R0.12 CCOC(C=O)C=O 34a_100121572206_100000736813 [1,1,0,0,0,0|1,0,1]=4 1715 B7R0.12 CCSC(C=O)C=O 62a_100000210202_100000736813 [1,1,0,0,0,0|1,0,1]=4 1716 B7R0.12 CCSC(C=O)C=O 62a_100000736813_100000210202 [1,1,0,0,0,0|1,0,1]=4 1717 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [1,1,0,0,0,0|1,0,1]=4 1718 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [1,1,0,0,0,0|1,0,1]=4 1719 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [1,1,0,0,0,0|1,0,1]=4 1720 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [1,1,0,0,0,0|1,0,1]=4 1721 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [1,1,0,0,0,0|2,0,0]=4 1722 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [1,1,0,0,0,0|2,0,0]=4 1723 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [1,1,0,0,0,0|2,0,0]=4 1724 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [1,1,0,0,0,0|2,0,0]=4 1725 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [1,1,0,0,0,0|2,0,0]=4 1726 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [1,1,0,0,0,0|2,0,0]=4 1727 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [1,1,0,0,0,0|2,0,0]=4 1728 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [1,1,0,0,0,0|2,0,0]=4 1729 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [1,1,0,0,0,0|2,0,0]=4 1730 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [1,1,0,0,0,0|2,0,0]=4 1731 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [1,1,0,0,0,0|2,0,0]=4 1732 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [1,1,0,0,0,0|2,0,0]=4 1733 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [1,1,0,0,0,0|2,0,0]=4 1734 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [1,1,0,0,0,0|2,0,0]=4 1735 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [1,1,0,0,0,0|1,0,0]=3 1736 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [1,1,0,0,0,0|1,0,0]=3 1737 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [1,1,0,0,0,0|1,0,0]=3 1738 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [1,1,0,0,0,0|1,0,0]=3 1739 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [1,1,0,0,0,0|2,0,0]=4 1740 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [1,1,0,0,0,0|2,0,0]=4 1741 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [1,1,0,0,0,0|2,0,0]=4 1742 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [1,1,0,0,0,0|2,0,0]=4 1743 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [1,1,0,0,0,0|2,0,0]=4 1744 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [1,1,0,0,0,0|2,0,0]=4 1745 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [1,1,0,0,0,0|2,0,0]=4 1746 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [1,1,0,0,0,0|2,0,0]=4 1747 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [1,1,0,0,0,0|2,0,0]=4 1748 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [1,1,0,0,0,0|2,0,0]=4 1749 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [1,1,0,0,0,0|2,0,0]=4 1750 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [1,1,0,0,0,0|2,0,0]=4 1751 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [1,1,0,0,0,0|2,0,0]=4 1752 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [1,1,0,0,0,0|2,0,0]=4 1753 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [1,1,0,0,0,0|2,0,0]=4 1754 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [1,1,0,0,0,0|2,0,0]=4 1755 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [1,1,0,0,0,0|2,0,0]=4 1756 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [1,1,0,0,0,0|2,0,0]=4 1757 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [1,1,0,0,0,0|2,0,0]=4 1758 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [1,1,0,0,0,0|0,0,2]=4 1759 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [1,1,0,0,0,0|0,0,2]=4 1760 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,1,0,0,0,0|1,0,0]=3 1761 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,1,0,0,0,0|1,0,0]=3 1762 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,1,0,0,0,0|1,0,0]=3 1763 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [1,1,0,0,0,0|1,0,0]=3 1764 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [1,1,0,0,0,0|1,0,0]=3 1765 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [1,1,0,0,0,0|1,0,0]=3 1766 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [1,1,0,0,0,0|1,0,0]=3 1767 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [1,1,0,0,0,0|1,0,0]=3 1768 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [1,1,0,0,0,0|1,0,0]=3 1769 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [1,1,0,0,0,0|1,0,0]=3 1770 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,1,0,0,0,0|1,0,0]=3 1771 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [1,1,0,0,0,0|1,0,0]=3 1772 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,1,0,0,0,0|1,0,0]=3 1773 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [1,1,0,0,0,0|1,0,0]=3 1774 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [1,1,0,0,0,0|1,0,0]=3 1775 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [1,1,0,0,0,0|1,0,0]=3 1776 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [1,1,0,0,0,0|1,0,0]=3 1777 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [1,1,0,0,0,0|2,0,0]=4 1778 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [1,1,0,0,0,0|2,0,0]=4 1779 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [1,1,0,0,0,0|2,0,0]=4 1780 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [1,1,0,0,0,0|2,0,0]=4 1781 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,1,0,0,0,0|0,0,0]=2 1782 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,1,0,0,0,0|0,0,0]=2 1783 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [1,1,0,0,0,0|1,0,1]=4 1784 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [1,1,0,0,0,0|1,0,1]=4 1785 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [1,1,0,0,0,0|1,0,1]=4 1786 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [1,1,0,0,0,0|1,0,1]=4 1787 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [1,1,0,0,0,0|1,0,0]=3 1788 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [1,1,0,0,0,0|2,0,0]=4 1789 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [1,1,0,0,0,0|2,0,0]=4 1790 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [1,1,0,0,0,0|2,0,0]=4 1791 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [1,1,0,0,0,0|2,0,0]=4 1792 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [1,1,0,0,0,0|1,0,0]=3 1793 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [1,1,0,0,0,0|2,0,0]=4 1794 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [1,1,0,0,0,0|2,0,0]=4 1795 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [1,1,0,0,0,0|1,0,1]=4 1796 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [1,1,0,0,0,0|1,0,1]=4 1797 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,1,0,0,0,0|1,0,0]=3 1798 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [1,1,0,0,0,0|2,0,0]=4 1799 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [1,1,0,0,0,0|2,0,0]=4 1800 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 1801 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 1802 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 1803 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [1,1,0,0,0,0|2,0,0]=4 1804 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [1,1,0,0,0,0|2,0,0]=4 1805 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,1,0,0,0,0|2,0,0]=4 1806 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [1,1,0,0,0,0|2,0,0]=4 1807 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [1,1,0,0,0,0|2,0,0]=4 1808 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,1,0,0,0,0|1,0,0]=3 1809 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,1,0,0,0,0|1,0,0]=3 1810 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,1,0,0,0,0|1,0,0]=3 1811 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,1,0,0,0,0|2,0,0]=4 1812 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [1,1,0,0,0,0|2,0,0]=4 1813 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,1,0,0,0,0|1,0,1]=4 1814 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,1,0,0,0,0|1,0,1]=4 1815 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,1,0,0,0,0|1,0,1]=4 1816 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,1,0,0,0,0|0,0,2]=4 1817 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,1,0,0,0,0|2,0,0]=4 1818 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,1,0,0,0,0|2,0,0]=4 1819 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,1,0,0,0,0|2,0,0]=4 1820 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,1,0,0,0,0|2,0,0]=4 1821 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,1,0,0,0,0|2,0,0]=4 1822 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,1,0,0,0,0|2,0,0]=4 1823 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,1,0,0,0,0|2,0,0]=4 1824 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,1,0,0,0,0|2,0,0]=4 1825 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,1,0,0,0,0|2,0,0]=4 1826 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,1,0,0,0,0|2,0,0]=4 1827 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,1,0,0,0,0|2,0,0]=4 1828 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,1,0,0,0,0|2,0,0]=4 1829 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,1,0,0,0,0|2,0,0]=4 1830 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,1,0,0,0,0|2,0,0]=4 1831 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|1,0,1]=4 1832 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|1,0,1]=4 1833 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|1,0,1]=4 1834 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,1,0,0,0,0|0,0,2]=4 1835 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,1,0,0,0,0|1,0,1]=4 1836 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,1,0,0,0,0|1,0,1]=4 1837 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,1,0,0,0,0|1,0,0]=3 1838 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,1,0,0,0,0|1,0,0]=3 1839 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,1,0,0,0,0|1,0,0]=3 1840 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,1,0,0,0,0|1,0,0]=3 1841 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,1,0,0,0,0|1,0,0]=3 1842 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|1,0,0]=3 1843 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|1,0,0]=3 1844 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,1,0,0,0,0|2,0,0]=4 1845 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,1,0,0,0,0|2,0,0]=4 1846 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,1,0,0,0,0|2,0,0]=4 1847 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,1,0,0,0,0|2,0,0]=4 1848 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,1,0,0,0,0|2,0,0]=4 1849 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,1,0,0,0,0|2,0,0]=4 1850 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,1,0,0,0,0|2,0,0]=4 1851 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1852 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1853 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1854 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,1,0,0,0,0|2,0,0]=4 1855 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,1,0,0,0,0|2,0,0]=4 1856 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,1,0,0,0,0|2,0,0]=4 1857 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,1,0,0,0,0|2,0,0]=4 1858 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,1,0,0,0,0|2,0,0]=4 1859 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,1,0,0,0,0|2,0,0]=4 1860 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,1,0,0,0,0|2,0,0]=4 1861 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,1,0,0,0,0|2,0,0]=4 1862 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,1,0,0,0,0|2,0,0]=4 1863 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,1,0,0,0,0|1,0,1]=4 1864 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,1,0,0,0,0|1,0,1]=4 1865 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|1,0,1]=4 1866 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|1,0,1]=4 1867 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|1,0,1]=4 1868 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,1,0,0,0,0|1,0,1]=4 1869 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,1,0,0,0,0|1,0,1]=4 1870 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,1,0,0,0,0|1,0,1]=4 1871 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|1,0,1]=4 1872 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|1,0,1]=4 1873 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|1,0,0]=3 1874 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|1,0,0]=3 1875 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|1,0,0]=3 1876 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 1877 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 1878 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 1879 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,1,0,0,0,0|1,0,0]=3 1880 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,1,0,0,0,0|1,0,0]=3 1881 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|0,0,0]=2 1882 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,1,0,0,0,0|1,0,1]=4 1883 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,1,0,0,0,0|1,0,1]=4 1884 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,1,0,0,0,0|2,0,0]=4 1885 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|1,0,0]=3 1886 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|1,0,0]=3 1887 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,1,0,0,0,0|1,0,0]=3 1888 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|1,0,0]=3 1889 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,1,0,0,0,0|0,0,1]=3 1890 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,1,0,0,0,0|1,0,1]=4 1891 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,1,0,0,0,0|1,0,1]=4 1892 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,1,0,0,0,0|1,0,1]=4 1893 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|1,0,0]=3 1894 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,1,0,0,0,0|1,0,0]=3 1895 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,1,0,0,0,0|1,0,0]=3 1896 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|1,0,0]=3 1897 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,1,0,0,0,0|0,0,1]=3 1898 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,1,0,0,0,0|0,0,1]=3 1899 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,1,0,0,0,0|1,0,1]=4 1900 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,1,0,0,0,0|1,0,1]=4 1901 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,1,0,0,0,0|1,0,1]=4 1902 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,1,0,0,0,0|1,0,1]=4 1903 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,1,0,0,0,0|1,0,1]=4 1904 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,1,0,0,0,0|1,0,0]=3 1905 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,1,0,0,0,0|1,0,1]=4 1906 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,1,0,0,0,0|1,0,1]=4 1907 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,1,0,0,0,0|1,0,0]=3 1908 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|1,0,0]=3 1909 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|1,0,0]=3 1910 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|1,0,0]=3 1911 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|1,0,0]=3 1912 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,1,0,0,0,0|1,0,0]=3 1913 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,1,0,0,0,0|1,0,0]=3 1914 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,1,0,0,0,0|1,0,0]=3 1915 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|1,0,0]=3 1916 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|1,0,1]=4 1917 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,1,0,0,0,0|2,0,0]=4 1918 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|1,0,0]=3 1919 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|1,0,0]=3 1920 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|1,0,0]=3 1921 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|1,0,0]=3 1922 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,1,0,0,0,0|1,0,0]=3 1923 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,1,0,0,0,0|1,0,0]=3 1924 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|1,0,0]=3 1925 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,1,0,0,0,0|1,0,1]=4 1926 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,1,0,0,0,0|1,0,1]=4 1927 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,1,0,0,0,0|2,0,0]=4 1928 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,1,0,0,0,0|2,0,0]=4 1929 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,1,0,0,0,0|1,0,0]=3 1930 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,1,0,0,0,0|1,0,0]=3 1931 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,1,0,0,0,0|1,0,0]=3 1932 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,1,0,0,0,0|1,0,0]=3 1933 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,1,0,0,0,0|1,0,0]=3 1934 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,1,0,0,0,0|1,0,1]=4 1935 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,1,0,0,0,0|1,0,1]=4 1936 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,1,0,0,0,0|1,0,1]=4 1937 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,1,0,0,0,0|2,0,0]=4 1938 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,1,0,0,0,0|2,0,0]=4 1939 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,1,0,0,0,0|2,0,0]=4 1940 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,1,0,0,0,0|2,0,0]=4 1941 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 1942 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,1,0,0,0,0|2,0,0]=4 1943 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 1944 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,1,0,0,0,0|2,0,0]=4 1945 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,1,0,0,0,0|2,0,0]=4 1946 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,1,0,0,0,0|2,0,0]=4 1947 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,1,0,0,0,0|2,0,0]=4 1948 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,1,0,0,0,0|1,0,0]=3 1949 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,1,0,0,0,0|1,0,0]=3 1950 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,1,0,0,0,0|1,0,0]=3 1951 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,1,0,0,0,0|1,0,0]=3 1952 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,1,0,0,0,0|1,0,0]=3 1953 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,1,0,0,0,0|1,0,0]=3 1954 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,1,0,0,0,0|1,0,0]=3 1955 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,1,0,0,0,0|1,0,1]=4 1956 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,1,0,0,0,0|1,0,1]=4 1957 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,1,0,0,0,0|2,0,0]=4 1958 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,1,0,0,0,0|2,0,0]=4 1959 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,1,0,0,0,0|2,0,0]=4 1960 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,1,0,0,0,0|2,0,0]=4 1961 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,1,0,0,0,0|2,0,0]=4 1962 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,1,0,0,0,0|2,0,0]=4 1963 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,1,0,0,0,0|2,0,0]=4 1964 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,1,0,0,0,0|2,0,0]=4 1965 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,1,0,0,0,0|2,0,0]=4 1966 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,1,0,0,0,0|1,0,0]=3 1967 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,1,0,0,0,0|2,0,0]=4 1968 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,1,0,0,0,0|2,0,0]=4 1969 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,1,0,0,0,0|1,0,1]=4 1970 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,1,0,0,0,0|1,0,1]=4 1971 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,1,0,0,0,0|2,0,0]=4 1972 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|1,0,0]=3 1973 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|1,0,0]=3 1974 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|1,0,0]=3 1975 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,1,0,0,0,0|1,0,0]=3 1976 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,1,0,0,0,0|1,0,0]=3 1977 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|1,0,0]=3 1978 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,1,0,0,0,0|1,0,1]=4 1979 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,1,0,0,0,0|1,0,1]=4 1980 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 1981 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 1982 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 1983 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,1,0,0,0,0|2,0,0]=4 1984 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,1,0,0,0,0|2,0,0]=4 1985 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,1,0,0,0,0|2,0,0]=4 1986 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,1,0,0,0,0|2,0,0]=4 1987 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,1,0,0,0,0|2,0,0]=4 1988 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,1,0,0,0,0|2,0,0]=4 1989 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,1,0,0,0,0|2,0,0]=4 1990 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,1,0,0,0,0|2,0,0]=4 1991 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,1,0,0,0,0|2,0,0]=4 1992 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,1,0,0,0,0|2,0,0]=4 1993 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,1,0,0,0,0|1,0,0]=3 1994 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,1,0,0,0,0|2,0,0]=4 1995 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,1,0,0,0,0|2,0,0]=4 1996 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,1,0,0,0,0|2,0,0]=4 1997 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,1,0,0,0,0|1,0,1]=4 1998 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,1,0,0,0,0|1,0,1]=4 1999 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,1,0,0,0,0|1,0,1]=4 2000 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 2001 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 2002 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,1,0,0,0,0|2,0,0]=4 2003 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,1,0,0,0,0|2,0,0]=4 2004 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,1,0,0,0,0|2,0,0]=4 2005 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,1,0,0,0,0|2,0,0]=4 2006 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,1,0,0,0,0|2,0,0]=4 2007 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,1,0,0,0,0|2,0,0]=4 2008 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,1,0,0,0,0|2,0,0]=4 2009 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,1,0,0,0,0|2,0,0]=4 2010 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,1,0,0,0,0|2,0,0]=4 2011 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,1,0,0,0,0|2,0,0]=4 2012 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,1,0,0,0,0|2,0,0]=4 2013 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,1,0,0,0,0|2,0,0]=4 2014 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,1,0,0,0,0|2,0,0]=4 2015 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,1,0,0,0,0|1,0,1]=4 2016 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,1,0,0,0,0|1,0,0]=3 2017 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,1,0,0,0,0|1,0,0]=3 2018 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,1,0,0,0,0|2,0,0]=4 2019 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,1,0,0,0,0|1,0,1]=4 2020 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,1,0,0,0,0|1,0,1]=4 2021 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,1,0,0,0,0|1,0,1]=4 2022 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,1,0,0,0,0|1,0,1]=4 2023 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,1,0,0,0,0|1,0,1]=4 2024 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,1,0,0,0,0|1,0,1]=4 2025 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,1,0,0,0,0|1,0,1]=4 2026 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,1,0,0,0,0|1,0,1]=4 2027 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,1,0,0,0,0|1,0,1]=4 2028 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,1,0,0,0,0|1,0,0]=3 2029 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,1,0,0,0,0|2,0,0]=4 2030 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,1,0,0,0,0|1,0,0]=3 2031 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,1,0,0,0,0|2,0,0]=4 2032 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,1,0,0,0,0|1,0,1]=4 2033 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,1,0,0,0,0|2,0,0]=4 2034 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,1,0,0,0,0|2,0,0]=4 2035 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,1,0,0,0,0|1,0,0]=3 2036 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,1,0,0,0,0|1,0,0]=3 2037 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,1,0,0,0,0|2,0,0]=4 2038 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,1,0,0,0,0|2,0,0]=4 2039 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,1,0,0,0,0|2,0,0]=4 2040 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,1,0,0,0,0|2,0,0]=4 2041 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,1,0,0,0,0|1,0,1]=4 2042 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,1,0,0,0,0|1,0,1]=4 2043 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,1,0,0,0,0|1,0,1]=4 2044 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,1,0,0,0,0|1,0,1]=4 2045 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|1,0,0]=3 2046 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|1,0,0]=3 2047 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|1,0,0]=3 2048 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,1,0,0,0,0|2,0,0]=4 2049 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,1,0,0,0,0|2,0,0]=4 2050 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,1,0,0,0,0|2,0,0]=4 2051 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,1,0,0,0,0|2,0,0]=4 2052 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,1,0,0,0,0|2,0,0]=4 2053 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 2054 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 2055 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 2056 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,1,0,0,0,0|2,0,0]=4 2057 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 2058 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 2059 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,1,0,0,0,0|2,0,0]=4 2060 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|1,0,0]=3 2061 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,1,0,0,0,0|2,0,0]=4 2062 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,1,0,0,0,0|2,0,0]=4 2063 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,1,0,0,0,0|2,0,0]=4 2064 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,1,0,0,0,0|1,0,0]=3 2065 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,1,0,0,0,0|1,0,1]=4 2066 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,1,0,0,0,0|2,0,0]=4 2067 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,1,0,0,0,0|2,0,0]=4 2068 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,1,0,0,0,0|1,0,1]=4 2069 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,1,0,0,0,0|2,0,0]=4 2070 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,1,0,0,0,0|2,0,0]=4 2071 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,1,0,0,0,0|2,0,0]=4 2072 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,1,0,0,0,0|1,0,1]=4 2073 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,1,0,0,0,0|1,0,1]=4 2074 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,1,0,0,0,0|2,0,0]=4 2075 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 2076 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 2077 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,1,0,0,0,0|2,0,0]=4 2078 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,1,0,0,0,0|2,0,0]=4 2079 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,1,0,0,0,0|1,0,1]=4 2080 B9R0.4 C#CCCN(C)CC(=O)O 269956a_100000746989_100000688953 [0,1,0,0,0,1|1,0,1]=4 2081 B9R0.4 C/C=C/CN(C)CC(=O)O 269956a_100000746989_100102629194 [0,1,0,0,0,1|1,0,1]=4 2082 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [0,1,0,0,0,1|1,0,1]=4 2083 B9R0.4 CC#CCN(C)CC(=O)O 269956a_100000746989_100000748600 [0,1,0,0,0,1|1,0,1]=4 2084 B9R0.4 CC(=O)OC(C)SCCF 62a_100009818208_100011217306 [0,1,0,0,0,1|2,0,0]=4 2085 B9R0.4 CC(=O)OC(C)SCCF 62a_100011217306_100009818208 [0,1,0,0,0,1|2,0,0]=4 2086 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [0,1,0,0,0,1|2,0,0]=4 2087 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [0,1,0,0,0,1|2,0,0]=4 2088 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,1,0,0,0,1|1,0,0]=3 2089 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,1,0,0,0,1|1,0,0]=3 2090 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,1,0,0,0,1|1,0,0]=3 2091 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,1,0,0,0,1|1,0,0]=3 2092 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [0,1,0,0,0,1|2,0,0]=4 2093 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [0,1,0,0,0,1|2,0,0]=4 2094 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [0,1,0,0,0,1|2,0,0]=4 2095 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,1,0,0,0,1|1,0,0]=3 2096 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [0,1,0,0,0,1|1,0,1]=4 2097 B9R0.4 CCCOC(C)C=C(C)C 34a_100000717055_100000210303 [0,1,0,0,0,1|2,0,0]=4 2098 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,1,0,0,0,1|1,0,0]=3 2099 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,1,0,0,0,1|1,0,0]=3 2100 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,1,0,0,0,1|1,0,0]=3 2101 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [0,1,0,0,0,1|1,0,0]=3 2102 B9R0.4 CN(CCC#N)CC(=O)O 269956a_100000746989_100011215226 [0,1,0,0,0,1|1,0,1]=4 2103 B9R0.4 CN(CCC#N)CC(=O)O 269956a_100011218032_200000210301 [0,1,0,0,0,1|1,0,1]=4 2104 B9R0.4 CN(CCCF)CC(=O)N 2230a_100000739694_100011934791 [0,1,0,0,0,1|2,0,0]=4 2105 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [0,1,0,0,0,1|1,0,0]=3 2106 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000213112_100000747473 [0,1,0,0,0,1|2,0,0]=4 2107 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000739694_100000230001 [0,1,0,0,0,1|2,0,0]=4 2108 B9R0.4 CN(CCCO)CC(=O)N 269982a_100000213112_100000187820 [0,1,0,0,0,1|2,0,0]=4 2109 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [0,1,0,0,0,1|1,0,0]=3 2110 B9R0.4 CN(CCCO)CC(=O)[O-] 269982a_100000213112_100020667443 [0,1,0,0,0,1|1,0,1]=4 2111 B9R0.4 COCCN(C)CC(=O)N 2230a_100000739694_100011201679 [0,1,0,0,0,1|2,0,0]=4 2112 B9R0.4 COCCN(C)CC(=O)N 2230a_100000743101_100000747473 [0,1,0,0,0,1|2,0,0]=4 2113 B9R0.4 COCCN(C)CC(=O)N 269982a_100000743101_100000187820 [0,1,0,0,0,1|2,0,0]=4 2114 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [0,1,0,0,0,1|1,0,0]=3 2115 B9R0.4 COCCN(C)CC(=O)[O-] 269982a_100000743101_100020667443 [0,1,0,0,0,1|1,0,1]=4 2116 B9R0.4 COCSC(C)OC(=O)C 62a_100000766300_100009818208 [0,1,0,0,0,1|2,0,0]=4 2117 B9R0.4 COCSC(C)OC(=O)C 62a_100009818208_100000766300 [0,1,0,0,0,1|2,0,0]=4 2118 B9R0.4 CSCCN(C)CC(=O)N 2230a_100000686725_100000747473 [0,1,0,0,0,1|2,0,0]=4 2119 B9R0.4 CSCCN(C)CC(=O)N 2230a_100000739694_100000751147 [0,1,0,0,0,1|2,0,0]=4 2120 B9R0.4 CSCCN(C)CC(=O)N 269982a_100000686725_100000187820 [0,1,0,0,0,1|2,0,0]=4 2121 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,1,0,0,0,1|1,0,0]=3 2122 B9R0.4 CSCCN(C)CC(=O)[O-] 269982a_100000686725_100020667443 [0,1,0,0,0,1|1,0,1]=4 2123 B9R0.4 CSCSC(C)OC(=O)C 62a_100009818208_100011218213 [0,1,0,0,0,1|2,0,0]=4 2124 B9R0.4 CSCSC(C)OC(=O)C 62a_100011218213_100009818208 [0,1,0,0,0,1|2,0,0]=4 2125 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [0,1,0,0,0,1|2,0,0]=4 2126 B9R0.4 [13CH3]N(CCC#N)CC(=O)O 269956a_100011218032_200025704644 [0,1,0,0,0,1|1,0,1]=4 2127 B9R0.6 C=C(C)C(=O)C(C)CCC 1458a_100000185857_100000766640 [0,1,0,0,0,1|2,0,0]=4 2128 B9R0.6 CC(=O)N(C)C(C)CCO 240690a_100000731037_100015343762 [0,1,0,0,0,1|2,0,0]=4 2129 B9R0.6 CC(=O)N(C)C(C)CCO 527a_100000731037_100103153847 [0,1,0,0,0,1|2,0,0]=4 2130 B9R0.6 CC(C(=O)O)N(C)CCF 269956a_100000749554_100011217306 [0,1,0,0,0,1|2,0,0]=4 2131 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [0,1,0,0,0,1|2,0,0]=4 2132 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [0,1,0,0,0,1|2,0,0]=4 2133 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [0,1,0,0,0,1|2,0,0]=4 2134 B9R0.6 CCCC(C)C(=O)C(O)O 1458a_100000233687_100000766640 [0,1,0,0,0,1|0,0,2]=4 2135 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [0,1,0,0,0,1|1,0,1]=4 2136 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [0,1,0,0,0,1|1,0,1]=4 2137 B9R0.6 CCCN(C)C(=O)C(=O)N 240690a_100000747261_100011215815 [0,1,0,0,0,1|2,0,0]=4 2138 B9R0.6 CCCN(C)C(C)C(=O)C 2230a_100000747261_100009814033 [0,1,0,0,0,1|2,0,0]=4 2139 B9R0.6 CCCN(C)C(C)C(=O)C 269982a_100000747261_100009814033 [0,1,0,0,0,1|2,0,0]=4 2140 B9R0.6 CCCN(C)C(C)C(=O)N 2230a_100000747261_100000702099 [0,1,0,0,0,1|2,0,0]=4 2141 B9R0.6 CCCN(C)C(C)C(=O)N 269982a_100000747261_100000184083 [0,1,0,0,0,1|2,0,0]=4 2142 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,1,0,0,0,1|1,0,0]=3 2143 B9R0.6 CCCN(C)C(F)C(=O)N 2230a_100000747261_100009813875 [0,1,0,0,0,1|2,0,0]=4 2144 B9R0.6 CCCN(C)C(F)C(=O)N 269982a_100000747261_100009813875 [0,1,0,0,0,1|2,0,0]=4 2145 B9R0.6 CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210202 [0,1,0,0,0,1|2,0,0]=4 2146 B9R0.6 COCN(C)C(C)C(=O)O 269956a_100000749554_100000766300 [0,1,0,0,0,1|2,0,0]=4 2147 B9R0.6 CSCN(C)C(C)C(=O)O 269956a_100000749554_100011218213 [0,1,0,0,0,1|2,0,0]=4 2148 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [0,1,0,0,0,1|2,0,0]=4 2149 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [0,1,0,0,0,1|2,0,0]=4 2150 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [0,1,0,0,0,1|2,0,0]=4 2151 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [0,1,0,0,0,1|2,0,0]=4 2152 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [0,1,0,0,0,1|1,0,0]=3 2153 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [0,1,0,0,0,1|1,0,0]=3 2154 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [0,1,0,0,0,1|1,0,0]=3 2155 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [0,1,0,0,0,1|1,0,0]=3 2156 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [0,1,0,0,0,1|2,0,0]=4 2157 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [0,1,0,0,0,1|2,0,0]=4 2158 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [0,1,0,0,0,1|1,0,0]=3 2159 B9R0.14 CCCN(CC)CC(=O)[O-] 269982a_100000226822_100020667443 [0,1,0,0,0,1|1,0,1]=4 2160 B9R0.14 CCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210207 [0,1,0,0,0,1|1,0,1]=4 2161 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [0,1,0,0,0,1|1,0,0]=3 2162 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [0,1,0,0,0,1|1,0,0]=3 2163 B9R0.14 CCN(CCF)CC(=O)O 269956a_100000746405_100011217306 [0,1,0,0,0,1|2,0,0]=4 2164 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000746405_100000211926 [0,1,0,0,0,1|2,0,0]=4 2165 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000747938_100000210202 [0,1,0,0,0,1|2,0,0]=4 2166 B9R0.14 CCN(COC)CC(=O)O 269956a_100000746405_100000766300 [0,1,0,0,0,1|2,0,0]=4 2167 B9R0.14 CCN(CSC)CC(=O)O 269956a_100000746405_100011218213 [0,1,0,0,0,1|2,0,0]=4 2168 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [0,1,0,0,0,1|1,0,0]=3 2169 B9R0.14 CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210202 [0,1,0,0,0,1|1,0,0]=3 2170 B9R0.14 CC[C@H](CC(=O)O)NCF 269956a_100016995926_100015361967 [0,1,0,0,0,1|2,0,0]=4 2171 B9R0.14 COCC(CO)NC(=O)C 240690a_100000724102_100015343762 [0,1,0,0,0,1|2,0,0]=4 2172 B9R0.14 COCC(CO)NC(=O)C 527a_100000724102_100103153847 [0,1,0,0,0,1|2,0,0]=4 2173 B9R0.14 O=C(O)CN(CF)CCO 269956a_100000747938_100015361967 [0,1,0,0,0,1|2,0,0]=4 2174 B9R0.14 O=C(O)C[C@@H](CO)NCF 269956a_100009816507_100015361967 [0,1,0,0,0,1|2,0,0]=4 2175 B9R0.23 CCC(=O)C(C)OC(=O)C 1458a_100000210414_100009818208 [0,1,0,0,0,1|1,0,1]=4 2176 B9R0.23 CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210202 [0,1,0,0,0,1|1,0,1]=4 2177 B9R0.23 CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210202 [0,1,0,0,0,1|1,0,1]=4 2178 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000739694_100000758301 [0,1,0,0,0,1|2,0,0]=4 2179 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000741768_100000747473 [0,1,0,0,0,1|2,0,0]=4 2180 B9R0.23 CCC(C)N(C)CC(=O)N 269982a_100000741768_100000187820 [0,1,0,0,0,1|2,0,0]=4 2181 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,1,0,0,0,1|1,0,0]=3 2182 B9R0.23 CCC(C)N(C)CC(=O)[O-] 269982a_100000741768_100020667443 [0,1,0,0,0,1|1,0,1]=4 2183 B9R0.23 CCN(C)C(C)CC(=O)C 1458a_200015187196_200000210301 [0,1,0,0,0,1|2,0,0]=4 2184 B9R0.23 CCN(C)C(C)CC(=O)[13CH3] 1458a_200015187196_200025704644 [0,1,0,0,0,1|2,0,0]=4 2185 B9R0.23 CCN(C)C(C)OC(=O)C 269982a_100000225621_100009818208 [0,1,0,0,0,1|2,0,0]=4 2186 B9R0.23 COC(C)N(C)CC(=O)O 269956a_100000746989_100009879195 [0,1,0,0,0,1|2,0,0]=4 2187 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [0,1,0,0,0,1|2,0,0]=4 2188 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [0,1,0,0,0,1|1,0,0]=3 2189 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [0,1,0,0,0,1|1,0,0]=3 2190 B9R0.34 C=CC(=O)NC(C)CCC 1626a_100000741246_100000185746 [0,1,0,0,0,1|1,0,0]=3 2191 B9R0.34 C=CC(=O)NC(C)CCC 240690a_100000741246_200121576911 [0,1,0,0,0,1|1,0,0]=3 2192 B9R0.34 C=CC(=O)N[C@H](C)CCO 240690a_100000706166_200121576911 [0,1,0,0,0,1|2,0,0]=4 2193 B9R0.34 C=CC(=O)N[C@H](C)COC 1626a_100000764878_100000185746 [0,1,0,0,0,1|2,0,0]=4 2194 B9R0.34 C=CC(=O)N[C@H](C)COC 240690a_100000764878_200121576911 [0,1,0,0,0,1|2,0,0]=4 2195 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [0,1,0,0,0,1|2,0,0]=4 2196 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [0,1,0,0,0,1|2,0,0]=4 2197 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [0,1,0,0,0,1|2,0,0]=4 2198 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [0,1,0,0,0,1|2,0,0]=4 2199 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [0,1,0,0,0,1|2,0,0]=4 2200 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [0,1,0,0,0,1|2,0,0]=4 2201 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,1,0,0,0,1|1,0,1]=4 2202 B9R0.34 CCCC(=CC(=O)CF)C 1458a_100020676950_100015361967 [0,1,0,0,0,1|1,0,1]=4 2203 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [0,1,0,0,0,1|1,0,1]=4 2204 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [0,1,0,0,0,1|1,0,1]=4 2205 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [0,1,0,0,0,1|1,0,1]=4 2206 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,1,0,0,0,1|1,0,1]=4 2207 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,1,0,0,0,1|1,0,1]=4 2208 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,1,0,0,0,1|1,0,1]=4 2209 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,1,0,0,0,1|1,0,0]=3 2210 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,1,0,0,0,1|1,0,0]=3 2211 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,1,0,0,0,1|1,0,0]=3 2212 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,1,0,0,0,1|0,0,0]=2 2213 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,1,0,0,0,1|1,0,0]=3 2214 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,1,0,0,0,1|1,0,0]=3 2215 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,1,0,0,0,1|1,0,0]=3 2216 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,1,0,0,0,1|1,0,0]=3 2217 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,1,0,0,0,1|1,0,0]=3 2218 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,1,0,0,0,1|1,0,0]=3 2219 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,1,0,0,0,1|1,0,0]=3 2220 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,1,0,0,0,1|1,0,0]=3 2221 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [0,1,0,0,0,1|0,0,0]=2 2222 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [0,1,0,0,0,1|0,0,0]=2 2223 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [0,1,0,0,0,1|1,0,0]=3 2224 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [0,1,0,0,0,1|1,0,0]=3 2225 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [0,1,0,0,0,1|1,0,0]=3 2226 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [0,1,0,0,0,1|1,0,0]=3 2227 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [0,1,0,0,0,1|1,0,0]=3 2228 B9R0.34 CCCC(C)NC(C)CO 2230a_100000741246_100012180447 [0,1,0,0,0,1|1,0,1]=4 2229 B9R0.34 CCCC(C)N[C@H](C)CO 2230a_100000737577_100000766640 [0,1,0,0,0,1|1,0,1]=4 2230 B9R0.34 CCCC(C)N[C@H](C)CO 270004a_100000737577_100000211909 [0,1,0,0,0,1|1,0,1]=4 2231 B9R0.34 CCCC(C)OC(C)CO 34a_100000764384_100012180447 [0,1,0,0,0,1|1,0,1]=4 2232 B9R0.34 CCCC(C)OC(C)CO 7a_100000764384_100012180447 [0,1,0,0,0,1|1,0,1]=4 2233 B9R0.34 CCCC(C)SC(C)CO 62a_100012180447_100000766640 [0,1,0,0,0,1|1,0,1]=4 2234 B9R0.34 CCCC(C)SC(C)OC 62a_100000766640_100009879195 [0,1,0,0,0,1|1,0,1]=4 2235 B9R0.34 CCCC(C)SC(C)OC 62a_100009879195_100000766640 [0,1,0,0,0,1|1,0,1]=4 2236 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100000766640_100016084084 [0,1,0,0,0,1|1,0,1]=4 2237 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100016084084_100000766640 [0,1,0,0,0,1|1,0,1]=4 2238 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,1,0,0,0,1|2,0,0]=4 2239 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [0,1,0,0,0,1|2,0,0]=4 2240 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [0,1,0,0,0,1|2,0,0]=4 2241 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [0,1,0,0,0,1|2,0,0]=4 2242 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,1,0,0,0,1|1,0,0]=3 2243 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,1,0,0,0,1|1,0,0]=3 2244 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,1,0,0,0,1|1,0,0]=3 2245 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,1,0,0,0,1|1,0,0]=3 2246 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,1,0,0,0,1|1,0,0]=3 2247 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,1,0,0,0,1|2,0,0]=4 2248 B9R0.34 CCSC(C)CC(=O)CF 1458a_200011311441_100015361967 [0,1,0,0,0,1|2,0,0]=4 2249 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [0,1,0,0,0,1|2,0,0]=4 2250 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [0,1,0,0,0,1|2,0,0]=4 2251 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [0,1,0,0,0,1|2,0,0]=4 2252 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [0,1,0,0,0,1|2,0,0]=4 2253 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,1,0,0,0,1|1,0,0]=3 2254 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,1,0,0,0,1|1,0,0]=3 2255 B9R0.34 CNC(=O)N[C@H](C)CCO 2708a_100102657272_100000706166 [0,1,0,0,0,1|2,0,0]=4 2256 B9R0.34 CNC(=O)N[C@H](C)CCO 273464a_100000706166_100102657272 [0,1,0,0,0,1|2,0,0]=4 2257 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_100000706166_100102657272 [0,1,0,0,0,1|2,0,0]=4 2258 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_106832991638_100000706166 [0,1,0,0,0,1|2,0,0]=4 2259 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100000764878_106832991635 [0,1,0,0,0,1|2,0,0]=4 2260 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100102657272_100000764878 [0,1,0,0,0,1|2,0,0]=4 2261 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100000764878_100102657272 [0,1,0,0,0,1|2,0,0]=4 2262 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100102657272_100000764878 [0,1,0,0,0,1|2,0,0]=4 2263 B9R0.34 CNC(=O)N[C@H](C)COC 512a_100000764878_100102657272 [0,1,0,0,0,1|2,0,0]=4 2264 B9R0.34 CNC(=O)N[C@H](C)COC 512a_106832991638_100000764878 [0,1,0,0,0,1|2,0,0]=4 2265 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [0,1,0,0,0,1|2,0,0]=4 2266 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [0,1,0,0,0,1|2,0,0]=4 2267 B9R0.34 COC(=O)CC(C)SCF 62a_100009817358_100015361967 [0,1,0,0,0,1|2,0,0]=4 2268 B9R0.34 COC(=O)CC(C)SCF 62a_100015361967_100009817358 [0,1,0,0,0,1|2,0,0]=4 2269 B9R0.34 COC(=O)CN(C)CCF 2230a_100000198492_100011217306 [0,1,0,0,0,1|2,0,0]=4 2270 B9R0.34 COC(=O)CN(C)CCO 2230a_100000198492_100000211926 [0,1,0,0,0,1|2,0,0]=4 2271 B9R0.34 COC(=O)CN(C)CCO 2230a_100000210263_100000747449 [0,1,0,0,0,1|2,0,0]=4 2272 B9R0.34 COC(=O)CN(C)CCO 269982a_100000210263_100000747449 [0,1,0,0,0,1|2,0,0]=4 2273 B9R0.34 COC(=O)CN(C)CSC 2230a_100000198492_100011218213 [0,1,0,0,0,1|2,0,0]=4 2274 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [0,1,0,0,0,1|2,0,0]=4 2275 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [0,1,0,0,0,1|2,0,0]=4 2276 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [0,1,0,0,0,1|2,0,0]=4 2277 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [0,1,0,0,0,1|2,0,0]=4 2278 B9R0.34 COCN(C)CC(=O)OC 2230a_100000198492_100000766300 [0,1,0,0,0,1|2,0,0]=4 2279 B9R0.34 COC[C@@H](C)NC(=O)CO 240690a_100000764878_100000210174 [0,1,0,0,0,1|1,0,0]=3 2280 B9R0.34 COC[C@@H](C)NC(=O)CO 527a_100000764878_100000210174 [0,1,0,0,0,1|1,0,0]=3 2281 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,1,0,0,0,1|2,0,0]=4 2282 B9R0.34 C[C@@H](CC#N)NC(=O)CO 240690a_100016994482_100000210174 [0,1,0,0,0,1|1,0,1]=4 2283 B9R0.34 C[C@@H](CC#N)NC(=O)CO 527a_100016994482_100000210174 [0,1,0,0,0,1|1,0,1]=4 2284 B9R0.34 C[C@H](CCO)NC(=O)CO 240690a_100000706166_100000210174 [0,1,0,0,0,1|1,0,0]=3 2285 B9R0.34 C[C@H](CCO)NC(=O)CO 527a_100000706166_100000210174 [0,1,0,0,0,1|1,0,0]=3 2286 B9R0.44 CCCC(C)NS(=O)(=O)C 40a_100000741246_100000738038 [0,1,0,0,0,1|1,0,1]=4 2287 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [0,1,0,0,0,1|1,0,1]=4 2288 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,1,0,0,0,1|1,0,0]=3 2289 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,1,0,0,0,1|1,0,0]=3 2290 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,1,0,0,0,1|1,0,0]=3 2291 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,1,0,0,0,1|1,0,0]=3 2292 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [0,1,0,0,0,1|2,0,0]=4 2293 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [0,1,0,0,0,1|2,0,0]=4 2294 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [0,1,0,0,0,1|2,0,0]=4 2295 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,1,0,0,0,1|2,0,0]=4 2296 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,1,0,0,0,1|2,0,0]=4 2297 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000739694_100000210760 [0,1,0,0,0,1|2,0,0]=4 2298 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000747067_100000747473 [0,1,0,0,0,1|2,0,0]=4 2299 B9R0.53 CC(C)CN(C)CC(=O)N 269982a_100000747067_100000187820 [0,1,0,0,0,1|2,0,0]=4 2300 B9R0.53 CC(C)CN(C)CC(=O)N 270004a_100000739694_100000210432 [0,1,0,0,0,1|2,0,0]=4 2301 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,1,0,0,0,1|1,0,0]=3 2302 B9R0.53 CC(C)CN(C)CC(=O)[O-] 269982a_100000747067_100020667443 [0,1,0,0,0,1|1,0,1]=4 2303 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000227577_100000747473 [0,1,0,0,0,1|2,0,0]=4 2304 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000739694_100011218427 [0,1,0,0,0,1|2,0,0]=4 2305 B9R0.53 CC(O)CN(C)CC(=O)N 269982a_100000227577_100000187820 [0,1,0,0,0,1|2,0,0]=4 2306 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,1,0,0,0,1|1,0,0]=3 2307 B9R0.53 CC(O)CN(C)CC(=O)[O-] 269982a_100000227577_100020667443 [0,1,0,0,0,1|1,0,1]=4 2308 B9R0.53 CN(CC(=O)O)CC(F)F 269956a_100000746989_100011934356 [0,1,0,0,0,1|2,0,0]=4 2309 B9R0.53 C[C@@H](O)CN(C)CC(=O)N 2230a_100000739694_100009817552 [0,1,0,0,0,1|2,0,0]=4 2310 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,1,0,0,0,1|1,0,0]=3 2311 B9R0.58 CC(=O)NC(C)(C)CCO 240690a_100000763138_100015343762 [0,1,0,0,0,1|2,0,0]=4 2312 B9R0.58 CC(=O)NC(C)(C)CCO 527a_100000763138_100103153847 [0,1,0,0,0,1|2,0,0]=4 2313 B9R0.58 CC(C)(CC(=O)O)NCF 269956a_100000755897_100015361967 [0,1,0,0,0,1|2,0,0]=4 2314 B9R0.58 CCCC(C)(O)CC(=O)C 1458a_100011667670_200000210301 [0,1,0,0,0,1|1,0,0]=3 2315 B9R0.58 CCCC(C)(O)CC(=O)[13CH3] 1458a_100011667670_200025704644 [0,1,0,0,0,1|1,0,0]=3 2316 B9R0.58 CCNC(C)(C)CC(=O)N 2230a_100000763158_100000210202 [0,1,0,0,0,1|2,0,0]=4 2317 B9R0.58 CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210202 [0,1,0,0,0,1|1,0,0]=3 2318 B9R0.58 CCOC(C)(C)CC(=O)C 7a_100000210262_100000210202 [0,1,0,0,0,1|2,0,0]=4 2319 B9R0.58 COCC(C)(C)NC(=O)C 11a_100000752728_100015343762 [0,1,0,0,0,1|2,0,0]=4 2320 B9R0.58 COCC(C)(C)NC(=O)C 1626a_100000752728_100015343762 [0,1,0,0,0,1|2,0,0]=4 2321 B9R0.58 COCC(C)(C)NC(=O)C 240690a_100000752728_100015343762 [0,1,0,0,0,1|2,0,0]=4 2322 B9R0.58 COCC(C)(C)NC(=O)C 527a_100000752728_100103153847 [0,1,0,0,0,1|2,0,0]=4 2323 B9R0.58 CSCC(C)(C)NC(=O)C 11a_100000759623_100015343762 [0,1,0,0,0,1|2,0,0]=4 2324 B9R0.58 CSCC(C)(C)NC(=O)C 1626a_100000759623_100015343762 [0,1,0,0,0,1|2,0,0]=4 2325 B9R0.58 CSCC(C)(C)NC(=O)C 240690a_100000759623_100015343762 [0,1,0,0,0,1|2,0,0]=4 2326 B9R0.58 CSCC(C)(C)NC(=O)C 527a_100000759623_100103153847 [0,1,0,0,0,1|2,0,0]=4 2327 B9R0.27 C#CC(=O)C(C)C(=O)CC 1458a_100000211873_100000742827 [0,2,0,0,0,0|1,0,1]=4 2328 B9R0.27 C=CC(=O)C(C)C(=O)CC 1458a_100000185746_100000742827 [0,2,0,0,0,0|1,0,1]=4 2329 B9R0.27 C=CC(=O)N(C)C(C)CC 1626a_100000741768_100000185746 [0,2,0,0,0,0|2,0,0]=4 2330 B9R0.27 C=CC(=O)N(C)C(C)CC 240690a_100000741768_200121576911 [0,2,0,0,0,0|2,0,0]=4 2331 B9R0.27 CC(CO)N(C)C(=O)CO 240690a_100000693034_100000210174 [0,2,0,0,0,0|2,0,0]=4 2332 B9R0.27 CC(CO)N(C)C(=O)CO 527a_100000693034_100000210174 [0,2,0,0,0,0|2,0,0]=4 2333 B9R0.27 CCC(=O)C(C)C(=O)CC 1458a_100000210414_100000742827 [0,2,0,0,0,0|1,0,1]=4 2334 B9R0.27 CCC(=O)C(C)C(=O)CO 1458a_100000210174_100000742827 [0,2,0,0,0,0|0,0,1]=3 2335 B9R0.27 CCC(=O)C(C)C(=O)NC 1458a_100000210414_100000209862 [0,2,0,0,0,0|1,0,1]=4 2336 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100000210414_100000211248 [0,2,0,0,0,0|0,0,1]=3 2337 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210202 [0,2,0,0,0,0|0,0,1]=3 2338 B9R0.27 CCC(=O)C(C)N(C)CC 1458a_100011281945_100000210202 [0,2,0,0,0,0|2,0,0]=4 2339 B9R0.27 CCC(=O)C(C)N(C)CC 2230a_100000225621_100000742827 [0,2,0,0,0,0|2,0,0]=4 2340 B9R0.27 CCC(=O)C(C)N(C)CC 269982a_100000225621_100000742827 [0,2,0,0,0,0|2,0,0]=4 2341 B9R0.27 CCC(=O)N(C)C(C)CC 11a_100000741768_100000210414 [0,2,0,0,0,0|2,0,0]=4 2342 B9R0.27 CCC(=O)N(C)C(C)CC 1626a_100000741768_100000210414 [0,2,0,0,0,0|2,0,0]=4 2343 B9R0.27 CCC(=O)N(C)C(C)CC 240690a_100000741768_100000210414 [0,2,0,0,0,0|2,0,0]=4 2344 B9R0.27 CCC(=O)N(C)C(C)CC 527a_100000741768_100000210414 [0,2,0,0,0,0|2,0,0]=4 2345 B9R0.27 CCC(C)C(C)C(C)OC 7a_200011290770_200000210301 [0,2,0,0,0,0|1,0,1]=4 2346 B9R0.27 CCC(C)C(C)C(C)O[13CH3] 7a_200011290770_200025704644 [0,2,0,0,0,0|1,0,1]=4 2347 B9R0.27 CCC(C)N(C)C(=O)CO 240690a_100000741768_100000210174 [0,2,0,0,0,0|1,0,0]=3 2348 B9R0.27 CCC(C)N(C)C(=O)CO 527a_100000741768_100000210174 [0,2,0,0,0,0|1,0,0]=3 2349 B9R0.27 CCC(C)N(C)C(=O)NC 2708a_100102657272_100000741768 [0,2,0,0,0,0|2,0,0]=4 2350 B9R0.27 CCC(C)N(C)C(=O)NC 273464a_100102657272_100000741768 [0,2,0,0,0,0|2,0,0]=4 2351 B9R0.27 CCN(C)C(C)C(=O)CF 1458a_100011281945_100015361967 [0,2,0,0,0,0|2,0,0]=4 2352 B9R0.27 CCN(C)C(C)C(=O)NC 2230a_100000225621_100000731044 [0,2,0,0,0,0|2,0,0]=4 2353 B9R0.27 CCN(C)C(C)C(=O)NC 240690a_100102657272_100011281945 [0,2,0,0,0,0|2,0,0]=4 2354 B9R0.27 CCN(C)C(C)C(=O)NC 269982a_100000225621_100000209862 [0,2,0,0,0,0|2,0,0]=4 2355 B9R0.27 CCN(C)C(C)C(=O)NC 527a_100102657272_100011281945 [0,2,0,0,0,0|2,0,0]=4 2356 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000225621_100000211248 [0,2,0,0,0,0|1,0,0]=3 2357 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000725243_100000210202 [0,2,0,0,0,0|1,0,0]=3 2358 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000225621_100000211248 [0,2,0,0,0,0|1,0,0]=3 2359 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000725243_100000204670 [0,2,0,0,0,0|1,0,0]=3 2360 B9R0.27 CNC(=O)C(C)C(=O)CO 1458a_100000210174_100000209862 [0,2,0,0,0,0|1,0,1]=4 2361 B9R0.27 CNC(=O)C(C)C(=O)OC 11a_106832991635_100012027023 [0,2,0,0,0,0|1,0,1]=4 2362 B9R0.27 CNC(=O)C(C)C(=O)OC 1626a_100102657272_100012027023 [0,2,0,0,0,0|1,0,1]=4 2363 B9R0.27 CNC(=O)C(C)C(=O)OC 240690a_100102657272_100012027023 [0,2,0,0,0,0|1,0,1]=4 2364 B9R0.27 CNC(=O)C(C)C(=O)OC 527a_100102657272_100012027023 [0,2,0,0,0,0|1,0,1]=4 2365 B9R0.27 COC(=O)C(C)C(=O)CF 1458a_100012027023_100015361967 [0,2,0,0,0,0|1,0,1]=4 2366 B9R0.27 COC(=O)C(C)C(=O)CO 1458a_100000210174_100000211248 [0,2,0,0,0,0|1,0,1]=4 2367 B9R0.27 COC(=O)C(C)N(C)CF 269982a_100000725243_100015361967 [0,2,0,0,0,0|2,0,0]=4 2368 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC 34a_100000004424_200000210301 [0,2,0,0,0,0|2,0,0]=4 2369 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100000004424_200025704644 [0,2,0,0,0,0|2,0,0]=4 2370 B9R0.28 CCN(C)C(C)(C)C(=O)C 269982a_100000225621_100000075568 [0,2,0,0,0,0|2,0,0]=4 2371 B9R0.28 CCN(C)C(C)(C)C(=O)N 2230a_100000225621_100000702505 [0,2,0,0,0,0|2,0,0]=4 2372 B9R0.28 CCN(C)C(C)(C)C(=O)N 269982a_100000225621_100000702505 [0,2,0,0,0,0|2,0,0]=4 2373 B9R0.29 CCC(=O)C(CC)C(=O)N 1458a_100000210414_100000750255 [0,2,0,0,0,0|1,0,1]=4 2374 B9R0.29 CCC(C(=O)C)N(C)CC 1458a_100011345578_200000210301 [0,2,0,0,0,0|2,0,0]=4 2375 B9R0.29 CCC(C(=O)N)N(C)CC 2230a_100000225621_100000750255 [0,2,0,0,0,0|2,0,0]=4 2376 B9R0.29 CCC(C(=O)N)N(C)CC 269982a_100000225621_100000750255 [0,2,0,0,0,0|2,0,0]=4 2377 B9R0.29 CCC(C(=O)[13CH3])N(C)CC 1458a_100011345578_200025704644 [0,2,0,0,0,0|2,0,0]=4 2378 B9R0.29 CCC(C)N(CC)C(=O)C 11a_100000732650_100015343762 [0,2,0,0,0,0|2,0,0]=4 2379 B9R0.29 CCC(C)N(CC)C(=O)C 1626a_100000732650_100015343762 [0,2,0,0,0,0|2,0,0]=4 2380 B9R0.29 CCC(C)N(CC)C(=O)C 240690a_100000732650_100015343762 [0,2,0,0,0,0|2,0,0]=4 2381 B9R0.29 CCC(C)N(CC)C(=O)C 527a_100000732650_100103153847 [0,2,0,0,0,0|2,0,0]=4 2382 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [0,2,0,0,0,0|1,0,0]=3 2383 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 2230a_103436537554_100000210202 [0,2,0,0,0,0|2,0,0]=4 2384 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 269982a_103436537554_100000204670 [0,2,0,0,0,0|2,0,0]=4 2385 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 2386 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 2387 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 2388 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 2389 B9R0.29 CN(CF)[C@@H](CO)C(=O)O 269956a_100015362447_100015361967 [0,2,0,0,0,0|2,0,0]=4 2390 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 2391 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 2392 B9R0.32 CCC(C)(C)N(C)C(=O)C 11a_200000755171_100015343762 [0,2,0,0,0,0|2,0,0]=4 2393 B9R0.32 CCC(C)(C)N(C)C(=O)C 1626a_200000755171_100015343762 [0,2,0,0,0,0|2,0,0]=4 2394 B9R0.32 CCC(C)(C)N(C)C(=O)C 240690a_200000755171_100015343762 [0,2,0,0,0,0|2,0,0]=4 2395 B9R0.32 CCC(C)(C)N(C)C(=O)C 527a_200000755171_100103153847 [0,2,0,0,0,0|2,0,0]=4 2396 B9R0.32 CCS(=O)(=O)C(C)C(=O)C 1458a_100011214461_200000210301 [0,2,0,0,0,0|2,0,0]=4 2397 B9R0.32 CCS(=O)(=O)C(C)C(=O)[13CH3] 1458a_100011214461_200025704644 [0,2,0,0,0,0|2,0,0]=4 2398 B9R0.41 CCC(CC)N(C)C(=O)C 11a_100000737045_100015343762 [0,2,0,0,0,0|2,0,0]=4 2399 B9R0.41 CCC(CC)N(C)C(=O)C 1626a_100000737045_100015343762 [0,2,0,0,0,0|2,0,0]=4 2400 B9R0.41 CCC(CC)N(C)C(=O)C 240690a_100000737045_100015343762 [0,2,0,0,0,0|2,0,0]=4 2401 B9R0.41 CCC(CC)N(C)C(=O)C 527a_100000737045_100103153847 [0,2,0,0,0,0|2,0,0]=4 2402 B9R0.41 CCN(CC)C(C)C(=O)C 2230a_100000724800_100009814033 [0,2,0,0,0,0|2,0,0]=4 2403 B9R0.41 CCN(CC)C(C)C(=O)C 269956a_100000042499_100009814033 [0,2,0,0,0,0|2,0,0]=4 2404 B9R0.41 CCN(CC)C(C)C(=O)C 269982a_100000724800_100009814033 [0,2,0,0,0,0|2,0,0]=4 2405 B9R0.41 CCN(CC)C(C)C(=O)N 2230a_100000724800_100000702099 [0,2,0,0,0,0|2,0,0]=4 2406 B9R0.41 CCN(CC)C(C)C(=O)N 2230a_100020603310_100000210202 [0,2,0,0,0,0|2,0,0]=4 2407 B9R0.41 CCN(CC)C(C)C(=O)N 269982a_100000724800_100000184083 [0,2,0,0,0,0|2,0,0]=4 2408 B9R0.41 CCN(CC)C(C)C(=O)N 269982a_100020603310_100000204670 [0,2,0,0,0,0|2,0,0]=4 2409 B9R0.41 CCN(CF)C(C)C(=O)N 269982a_100020603310_100015361967 [0,2,0,0,0,0|2,0,0]=4 2410 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000070787_100009893295 [0,2,0,0,0,0|1,0,1]=4 2411 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000179758 [0,2,0,0,0,0|1,0,1]=4 2412 B9R0.79 CC(=O)C(C)C(=O)C(C)F 1458a_100000062450_100000179758 [0,2,0,0,0,0|1,0,1]=4 2413 B9R0.79 CC(=O)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100000179758 [0,2,0,0,0,0|1,0,1]=4 2414 B9R0.79 CC(=O)C(C)C(=O)[C@H](C)O 1458a_217856618621_100000179758 [0,2,0,0,0,0|1,0,1]=4 2415 B9R0.79 CC(=O)C(C)N(C)C(C)C 269982a_200000211004_100009814033 [0,2,0,0,0,0|2,0,0]=4 2416 B9R0.79 CC(=O)N(C)C(C)C(C)C 11a_100000228512_100015343762 [0,2,0,0,0,0|2,0,0]=4 2417 B9R0.79 CC(=O)N(C)C(C)C(C)C 1626a_100000228512_100015343762 [0,2,0,0,0,0|2,0,0]=4 2418 B9R0.79 CC(=O)N(C)C(C)C(C)C 240690a_100000228512_100015343762 [0,2,0,0,0,0|2,0,0]=4 2419 B9R0.79 CC(=O)N(C)C(C)C(C)C 527a_100000228512_100103153847 [0,2,0,0,0,0|2,0,0]=4 2420 B9R0.79 CC(C(=O)N)C(=O)[C@@H](C)O 1458a_100000717761_100000702099 [0,2,0,0,0,0|1,0,1]=4 2421 B9R0.79 CC(C(=O)N)C(=O)[C@H](C)O 1458a_217856618621_100000702099 [0,2,0,0,0,0|1,0,1]=4 2422 B9R0.79 CC(C)C(=O)C(C)C(=O)N 1458a_100000210198_100000702099 [0,2,0,0,0,0|1,0,1]=4 2423 B9R0.79 CC(C)N(C)C(C)C(=O)N 269982a_200000211004_100000184083 [0,2,0,0,0,0|2,0,0]=4 2424 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,2,0,0,0,0|1,0,0]=3 2425 B9R0.79 CC(F)C(=O)C(C)C(=O)N 1458a_100000062450_100000702099 [0,2,0,0,0,0|1,0,1]=4 2426 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,2,0,0,0,0|1,0,0]=3 2427 B9R0.8 C#CCNC(C)C(=O)OC 34a_100000212058_100000211248 [0,2,0,0,0,0|0,0,2]=4 2428 B9R0.8 C#CCOC(C)C(=O)OC 34a_100000210247_100000211248 [0,2,0,0,0,0|0,0,2]=4 2429 B9R0.8 C#CCOC(C)C(=O)OC 34a_100011215400_100000184674 [0,2,0,0,0,0|0,0,2]=4 2430 B9R0.8 C#CCSC(C)C(=O)OC 62a_100000038162_100000211248 [0,2,0,0,0,0|0,0,2]=4 2431 B9R0.8 C/C=C(\C)/C(C)NCCC 269862a_100020643023_100020675665 [0,2,0,0,0,0|2,0,0]=4 2432 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,2,0,0,0,0|0,0,2]=4 2433 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,2,0,0,0,0|0,0,2]=4 2434 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,2,0,0,0,0|0,0,2]=4 2435 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,2,0,0,0,0|1,0,0]=3 2436 B9R0.8 C=CC(=O)N(C)CCCC 1626a_100000207549_100000185746 [0,2,0,0,0,0|2,0,0]=4 2437 B9R0.8 C=CC(=O)N(C)CCCC 240690a_100000207549_200121576911 [0,2,0,0,0,0|2,0,0]=4 2438 B9R0.8 C=CC(=O)N(C)CCCO 240690a_100000213112_200121576911 [0,2,0,0,0,0|2,0,0]=4 2439 B9R0.8 C=CC(=O)N(C)CCOC 1626a_100000743101_100000185746 [0,2,0,0,0,0|2,0,0]=4 2440 B9R0.8 C=CC(=O)N(C)CCOC 240690a_100000743101_200121576911 [0,2,0,0,0,0|2,0,0]=4 2441 B9R0.8 C=CC(=O)N(C)CCSC 1626a_100000686725_100000185746 [0,2,0,0,0,0|2,0,0]=4 2442 B9R0.8 C=CC(=O)N(C)CCSC 240690a_100000686725_200121576911 [0,2,0,0,0,0|2,0,0]=4 2443 B9R0.8 C=CCCN(C)C(=O)CO 240690a_100020639649_100000210174 [0,2,0,0,0,0|1,0,1]=4 2444 B9R0.8 C=CCCN(C)C(=O)CO 527a_100020639649_100000210174 [0,2,0,0,0,0|1,0,1]=4 2445 B9R0.8 C=CCNC(C)C(=O)OC 2230a_100020586998_100000211248 [0,2,0,0,0,0|0,0,2]=4 2446 B9R0.8 C=CCOC(C)C(=O)OC 34a_100011215400_100015514636 [0,2,0,0,0,0|0,0,2]=4 2447 B9R0.8 C=CCOC(C)C(=O)OC 34a_200000210373_100000211248 [0,2,0,0,0,0|0,0,2]=4 2448 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000210623_100000211248 [0,2,0,0,0,0|0,0,2]=4 2449 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000211248_100000210623 [0,2,0,0,0,0|0,0,2]=4 2450 B9R0.8 CC(OCCF)C(=O)NN 34a_100000725659_100011217306 [0,2,0,0,0,0|2,0,0]=4 2451 B9R0.8 CC(OCCO)C(=O)NN 34a_100000725659_100000211926 [0,2,0,0,0,0|2,0,0]=4 2452 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [0,2,0,0,0,0|2,0,0]=4 2453 B9R0.8 CCC(=O)C(C)SCCF 62a_100000742827_100011217306 [0,2,0,0,0,0|2,0,0]=4 2454 B9R0.8 CCC(=O)C(C)SCCF 62a_100011217306_100000742827 [0,2,0,0,0,0|2,0,0]=4 2455 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,2,0,0,0,0|2,0,0]=4 2456 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,2,0,0,0,0|2,0,0]=4 2457 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [0,2,0,0,0,0|2,0,0]=4 2458 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [0,2,0,0,0,0|2,0,0]=4 2459 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [0,2,0,0,0,0|2,0,0]=4 2460 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [0,2,0,0,0,0|2,0,0]=4 2461 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,2,0,0,0,0|2,0,0]=4 2462 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [0,2,0,0,0,0|2,0,0]=4 2463 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [0,2,0,0,0,0|2,0,0]=4 2464 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 2465 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 2466 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 2467 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 2468 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [0,2,0,0,0,0|2,0,0]=4 2469 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [0,2,0,0,0,0|2,0,0]=4 2470 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [0,2,0,0,0,0|2,0,0]=4 2471 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [0,2,0,0,0,0|2,0,0]=4 2472 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,2,0,0,0,0|1,0,1]=4 2473 B9R0.8 CCC/C=C(\C)/C(=O)CF 1458a_200020648666_100015361967 [0,2,0,0,0,0|1,0,1]=4 2474 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,2,0,0,0,0|1,0,1]=4 2475 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,2,0,0,0,0|1,0,1]=4 2476 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,2,0,0,0,0|1,0,1]=4 2477 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,2,0,0,0,0|1,0,0]=3 2478 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,2,0,0,0,0|1,0,0]=3 2479 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,2,0,0,0,0|1,0,0]=3 2480 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,2,0,0,0,0|0,0,0]=2 2481 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,2,0,0,0,0|1,0,0]=3 2482 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,2,0,0,0,0|1,0,0]=3 2483 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,2,0,0,0,0|1,0,0]=3 2484 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,2,0,0,0,0|1,0,0]=3 2485 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,2,0,0,0,0|2,0,0]=4 2486 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,2,0,0,0,0|2,0,0]=4 2487 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,2,0,0,0,0|2,0,0]=4 2488 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,2,0,0,0,0|2,0,0]=4 2489 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,2,0,0,0,0|2,0,0]=4 2490 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,2,0,0,0,0|2,0,0]=4 2491 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,2,0,0,0,0|2,0,0]=4 2492 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,2,0,0,0,0|2,0,0]=4 2493 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,2,0,0,0,0|1,0,0]=3 2494 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,2,0,0,0,0|1,0,0]=3 2495 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [0,2,0,0,0,0|2,0,0]=4 2496 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [0,2,0,0,0,0|2,0,0]=4 2497 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 2498 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 2499 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 2500 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 2501 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,2,0,0,0,0|1,0,0]=3 2502 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,2,0,0,0,0|1,0,0]=3 2503 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,2,0,0,0,0|1,0,0]=3 2504 B9R0.8 CCCOC(C)C(=O)NN 34a_100000725659_100000210303 [0,2,0,0,0,0|1,0,0]=3 2505 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,2,0,0,0,0|0,0,0]=2 2506 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,2,0,0,0,0|0,0,0]=2 2507 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [0,2,0,0,0,0|2,0,0]=4 2508 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,2,0,0,0,0|1,0,0]=3 2509 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,2,0,0,0,0|1,0,0]=3 2510 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,2,0,0,0,0|1,0,0]=3 2511 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,2,0,0,0,0|1,0,0]=3 2512 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,2,0,0,0,0|0,0,0]=2 2513 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,2,0,0,0,0|0,0,0]=2 2514 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [0,2,0,0,0,0|2,0,0]=4 2515 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [0,2,0,0,0,0|2,0,0]=4 2516 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [0,2,0,0,0,0|1,0,0]=3 2517 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [0,2,0,0,0,0|1,0,0]=3 2518 B9R0.8 CCNN=C(C)C(=O)OC 4a_100000756455_100000211753 [0,2,0,0,0,0|1,0,1]=4 2519 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,2,0,0,0,0|1,0,1]=4 2520 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,2,0,0,0,0|0,0,0]=2 2521 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,2,0,0,0,0|0,0,0]=2 2522 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,2,0,0,0,0|0,0,0]=2 2523 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,2,0,0,0,0|1,0,0]=3 2524 B9R0.8 CCOCC(N)C(=O)NN 34a_100016989258_100000210202 [0,2,0,0,0,0|2,0,0]=4 2525 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,2,0,0,0,0|1,0,0]=3 2526 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,2,0,0,0,0|1,0,1]=4 2527 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,2,0,0,0,0|1,0,1]=4 2528 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,2,0,0,0,0|0,0,0]=2 2529 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,2,0,0,0,0|0,0,0]=2 2530 B9R0.8 CN(CCC#N)C(=O)CO 240690a_100000184479_100000210174 [0,2,0,0,0,0|1,0,1]=4 2531 B9R0.8 CN(CCC#N)C(=O)CO 527a_100000184479_100000210174 [0,2,0,0,0,0|1,0,1]=4 2532 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [0,2,0,0,0,0|1,0,0]=3 2533 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [0,2,0,0,0,0|1,0,0]=3 2534 B9R0.8 CNC(=O)C(C)CNCF 34a_100015187722_100015361967 [0,2,0,0,0,0|2,0,0]=4 2535 B9R0.8 CNC(=O)C(C)NCCF 34a_100000724931_100000731044 [0,2,0,0,0,0|2,0,0]=4 2536 B9R0.8 CNC(=O)C(C)NCCO 2230a_100016997473_100000731044 [0,2,0,0,0,0|2,0,0]=4 2537 B9R0.8 CNC(=O)C(C)NCCO 34a_100016990907_100000731044 [0,2,0,0,0,0|2,0,0]=4 2538 B9R0.8 CNC(=O)C(C)OCCBr 34a_100000211926_100000731044 [0,2,0,0,0,0|2,0,0]=4 2539 B9R0.8 CNC(=O)C(C)OCCN 34a_100000210304_100000731044 [0,2,0,0,0,0|2,0,0]=4 2540 B9R0.8 CNC(=O)C(C)SCCF 62a_100000209862_100011217306 [0,2,0,0,0,0|2,0,0]=4 2541 B9R0.8 CNC(=O)C(C)SCCF 62a_100011217306_100000731044 [0,2,0,0,0,0|2,0,0]=4 2542 B9R0.8 CNC(=O)C(C)SCCO 62a_100000209862_100000211926 [0,2,0,0,0,0|2,0,0]=4 2543 B9R0.8 CNC(=O)C(C)SCCO 62a_100000211926_100000731044 [0,2,0,0,0,0|2,0,0]=4 2544 B9R0.8 CNC(=O)C(C)SCOC 62a_100000209862_100000766300 [0,2,0,0,0,0|2,0,0]=4 2545 B9R0.8 CNC(=O)C(C)SCOC 62a_100000766300_100000731044 [0,2,0,0,0,0|2,0,0]=4 2546 B9R0.8 CNC(=O)C(C)SCSC 62a_100000209862_100011218213 [0,2,0,0,0,0|2,0,0]=4 2547 B9R0.8 CNC(=O)C(C)SCSC 62a_100011218213_100000731044 [0,2,0,0,0,0|2,0,0]=4 2548 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,2,0,0,0,0|2,0,0]=4 2549 B9R0.8 CNC(=O)N(C)CCCO 2708a_100102657272_100000213112 [0,2,0,0,0,0|2,0,0]=4 2550 B9R0.8 CNC(=O)N(C)CCCO 273464a_100102657272_100000213112 [0,2,0,0,0,0|2,0,0]=4 2551 B9R0.8 CNC(=O)N(C)CCOC 2708a_100102657272_100000743101 [0,2,0,0,0,0|2,0,0]=4 2552 B9R0.8 CNC(=O)N(C)CCOC 273464a_100102657272_100000743101 [0,2,0,0,0,0|2,0,0]=4 2553 B9R0.8 CNC(=O)N(C)CCSC 2708a_100102657272_100000686725 [0,2,0,0,0,0|2,0,0]=4 2554 B9R0.8 CNC(=O)N(C)CCSC 273464a_100102657272_100000686725 [0,2,0,0,0,0|2,0,0]=4 2555 B9R0.8 CNC(=O)[C@@H](C)NCCF 2230a_100000684985_100011217306 [0,2,0,0,0,0|2,0,0]=4 2556 B9R0.8 CNC(=O)[C@@H](C)NCCF 34a_100000684985_100011217306 [0,2,0,0,0,0|2,0,0]=4 2557 B9R0.8 CNC(=O)[C@@H](C)NCCO 2230a_100000684985_100000211926 [0,2,0,0,0,0|2,0,0]=4 2558 B9R0.8 CNC(=O)[C@@H](C)NCCO 34a_100000684985_100000211926 [0,2,0,0,0,0|2,0,0]=4 2559 B9R0.8 CNC(=O)[C@@H](C)NCOC 2230a_100000684985_100000766300 [0,2,0,0,0,0|2,0,0]=4 2560 B9R0.8 CNC(=O)[C@@H](C)NCSC 2230a_100000684985_100011218213 [0,2,0,0,0,0|2,0,0]=4 2561 B9R0.8 CNC(=O)[C@@H](C)NCSC 34a_100000684985_100011218213 [0,2,0,0,0,0|2,0,0]=4 2562 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,2,0,0,0,0|0,0,0]=2 2563 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,2,0,0,0,0|0,0,0]=2 2564 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,2,0,0,0,0|0,0,0]=2 2565 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,2,0,0,0,0|0,0,0]=2 2566 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,2,0,0,0,0|0,0,0]=2 2567 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,2,0,0,0,0|0,0,0]=2 2568 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,2,0,0,0,0|0,0,0]=2 2569 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [0,2,0,0,0,0|1,0,0]=3 2570 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [0,2,0,0,0,0|1,0,0]=3 2571 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [0,2,0,0,0,0|1,0,0]=3 2572 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [0,2,0,0,0,0|1,0,0]=3 2573 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,2,0,0,0,0|1,0,0]=3 2574 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,2,0,0,0,0|1,0,0]=3 2575 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,2,0,0,0,0|1,0,0]=3 2576 B9R0.8 COC(=O)C(C)OCC=O 34a_100011215400_200009817547 [0,2,0,0,0,0|1,0,1]=4 2577 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,2,0,0,0,0|1,0,0]=3 2578 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,2,0,0,0,0|1,0,0]=3 2579 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,2,0,0,0,0|1,0,0]=3 2580 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,2,0,0,0,0|1,0,0]=3 2581 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,2,0,0,0,0|1,0,0]=3 2582 B9R0.8 COC(=O)C(C)SCC#N 62a_100000211248_100011215382 [0,2,0,0,0,0|1,0,1]=4 2583 B9R0.8 COC(=O)C(C)SCC#N 62a_100011215382_100000211248 [0,2,0,0,0,0|1,0,1]=4 2584 B9R0.8 COC(=O)C(C)SCC=O 62a_100000211248_200015260668 [0,2,0,0,0,0|1,0,1]=4 2585 B9R0.8 COC(=O)C(C)SCC=O 62a_200015260668_100000211248 [0,2,0,0,0,0|1,0,1]=4 2586 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,2,0,0,0,0|1,0,0]=3 2587 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,2,0,0,0,0|1,0,0]=3 2588 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,2,0,0,0,0|1,0,0]=3 2589 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,2,0,0,0,0|1,0,0]=3 2590 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [0,2,0,0,0,0|1,0,0]=3 2591 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [0,2,0,0,0,0|1,0,0]=3 2592 B9R0.8 COC(=O)C(F)COCF 34a_200009849844_100015361967 [0,2,0,0,0,0|2,0,0]=4 2593 B9R0.8 COC(=O)[C@H](N)COCF 34a_100000003586_100015361967 [0,2,0,0,0,0|2,0,0]=4 2594 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,2,0,0,0,0|0,0,0]=2 2595 B9R0.8 COCCN(C)C(=O)CO 240690a_100000743101_100000210174 [0,2,0,0,0,0|1,0,0]=3 2596 B9R0.8 COCCN(C)C(=O)CO 527a_100000743101_100000210174 [0,2,0,0,0,0|1,0,0]=3 2597 B9R0.8 COCSC(C)C(=O)OC 62a_100000211248_100000766300 [0,2,0,0,0,0|1,0,0]=3 2598 B9R0.8 COCSC(C)C(=O)OC 62a_100000766300_100000211248 [0,2,0,0,0,0|1,0,0]=3 2599 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,2,0,0,0,0|2,0,0]=4 2600 B9R0.8 CSCCN(C)C(=O)CO 240690a_100000686725_100000210174 [0,2,0,0,0,0|1,0,0]=3 2601 B9R0.8 CSCCN(C)C(=O)CO 527a_100000686725_100000210174 [0,2,0,0,0,0|1,0,0]=3 2602 B9R0.8 CSCOC(C)C(=O)NN 34a_100000725659_100011218213 [0,2,0,0,0,0|2,0,0]=4 2603 B9R0.12 C#CC(=O)C(CC)CCC 1458a_100000211873_100011219200 [0,2,0,0,0,0|1,0,0]=3 2604 B9R0.12 C=CC(=O)C(CC)CCC 1458a_100000185746_100011219200 [0,2,0,0,0,0|1,0,0]=3 2605 B9R0.12 C=CC(=O)N(CC)CCC 1626a_100000226822_100000185746 [0,2,0,0,0,0|2,0,0]=4 2606 B9R0.12 C=CC(=O)N(CC)CCC 240690a_100000226822_200121576911 [0,2,0,0,0,0|2,0,0]=4 2607 B9R0.12 CCC(OCF)C(=O)OC 34a_100000695916_100015361967 [0,2,0,0,0,0|2,0,0]=4 2608 B9R0.12 CCC(OCF)C(=O)OC 7a_100000695916_100015361967 [0,2,0,0,0,0|2,0,0]=4 2609 B9R0.12 CCC(SCF)C(=O)OC 62a_100000235869_100015361967 [0,2,0,0,0,0|2,0,0]=4 2610 B9R0.12 CCC(SCF)C(=O)OC 62a_100015361967_100000235869 [0,2,0,0,0,0|2,0,0]=4 2611 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [0,2,0,0,0,0|1,0,0]=3 2612 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [0,2,0,0,0,0|1,0,0]=3 2613 B9R0.12 CCCC(CC)C(=O)CF 1458a_100011416436_100015361967 [0,2,0,0,0,0|1,0,0]=3 2614 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [0,2,0,0,0,0|0,0,0]=2 2615 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [0,2,0,0,0,0|1,0,0]=3 2616 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [0,2,0,0,0,0|1,0,0]=3 2617 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [0,2,0,0,0,0|1,0,0]=3 2618 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [0,2,0,0,0,0|1,0,0]=3 2619 B9R0.12 CCCC(NC)C(=O)NC 2230a_106256046333_200000210301 [0,2,0,0,0,0|1,0,0]=3 2620 B9R0.12 CCCC(NC)C(=O)NC 34a_106256046333_200000210301 [0,2,0,0,0,0|1,0,0]=3 2621 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [0,2,0,0,0,0|0,0,0]=2 2622 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [0,2,0,0,0,0|0,0,0]=2 2623 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [0,2,0,0,0,0|0,0,0]=2 2624 B9R0.12 CCCC(N[13CH3])C(=O)NC 2230a_106256046333_200025704644 [0,2,0,0,0,0|1,0,0]=3 2625 B9R0.12 CCCC(N[13CH3])C(=O)NC 34a_106256046333_200025704644 [0,2,0,0,0,0|1,0,0]=3 2626 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [0,2,0,0,0,0|0,0,0]=2 2627 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [0,2,0,0,0,0|0,0,0]=2 2628 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [0,2,0,0,0,0|0,0,0]=2 2629 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [0,2,0,0,0,0|0,0,0]=2 2630 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [0,2,0,0,0,0|0,0,0]=2 2631 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [0,2,0,0,0,0|2,0,0]=4 2632 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [0,2,0,0,0,0|2,0,0]=4 2633 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [0,2,0,0,0,0|2,0,0]=4 2634 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [0,2,0,0,0,0|2,0,0]=4 2635 B9R0.12 CCCN(CC)C(=O)CO 240690a_100000226822_100000210174 [0,2,0,0,0,0|1,0,0]=3 2636 B9R0.12 CCCN(CC)C(=O)CO 527a_100000226822_100000210174 [0,2,0,0,0,0|1,0,0]=3 2637 B9R0.12 CCCN(CC)C(=O)NC 2708a_100102657272_100000226822 [0,2,0,0,0,0|2,0,0]=4 2638 B9R0.12 CCCN(CC)C(=O)NC 273464a_100102657272_100000226822 [0,2,0,0,0,0|2,0,0]=4 2639 B9R0.12 CCN(CCO)C(=O)CO 240690a_100000210973_100000210174 [0,2,0,0,0,0|2,0,0]=4 2640 B9R0.12 CCN(CCO)C(=O)CO 527a_100000210973_100000210174 [0,2,0,0,0,0|2,0,0]=4 2641 B9R0.12 CCNC(CC)C(=O)OC 2230a_100015525214_100000235869 [0,2,0,0,0,0|1,0,0]=3 2642 B9R0.12 CCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210202 [0,2,0,0,0,0|2,0,0]=4 2643 B9R0.12 CCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210202 [0,2,0,0,0,0|2,0,0]=4 2644 B9R0.12 CCOC(C=O)C(=O)OC 34a_100121572206_100000046368 [0,2,0,0,0,0|1,0,1]=4 2645 B9R0.12 CCOC(CC)C(=O)CC 34a_200011218131_100000210202 [0,2,0,0,0,0|2,0,0]=4 2646 B9R0.12 CCOC(CC)C(=O)CC 7a_200011218131_100000210202 [0,2,0,0,0,0|2,0,0]=4 2647 B9R0.12 CCOC(CC)C(=O)OC 34a_100000695916_100000210202 [0,2,0,0,0,0|1,0,0]=3 2648 B9R0.12 CCOC(CC)C(=O)OC 34a_100121572206_100000235869 [0,2,0,0,0,0|1,0,0]=3 2649 B9R0.12 CCOC(CC)C(=O)OC 7a_100000695916_100000210202 [0,2,0,0,0,0|1,0,0]=3 2650 B9R0.12 CCOC(CN)C(=O)OC 34a_100000695228_100000210202 [0,2,0,0,0,0|1,0,0]=3 2651 B9R0.12 CCOC(CO)C(=O)OC 34a_100121572206_100012276630 [0,2,0,0,0,0|1,0,0]=3 2652 B9R0.12 CCOC(OC)C(=O)OC 34a_100000036821_100000210202 [0,2,0,0,0,0|1,0,0]=3 2653 B9R0.12 CCOC(OC)C(=O)OC 34a_100121572206_100000101307 [0,2,0,0,0,0|1,0,0]=3 2654 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000046368_100000210202 [0,2,0,0,0,0|1,0,1]=4 2655 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000210202_100000046368 [0,2,0,0,0,0|1,0,1]=4 2656 B9R0.12 CCSC(CC)C(=O)OC 62a_100000210202_100000235869 [0,2,0,0,0,0|1,0,0]=3 2657 B9R0.12 CCSC(CC)C(=O)OC 62a_100000235869_100000210202 [0,2,0,0,0,0|1,0,0]=3 2658 B9R0.12 CCSC(CO)C(=O)OC 62a_100000210202_100012276630 [0,2,0,0,0,0|1,0,0]=3 2659 B9R0.12 CCSC(CO)C(=O)OC 62a_100012276630_100000210202 [0,2,0,0,0,0|1,0,0]=3 2660 B9R0.12 CCSC(OC)C(=O)OC 62a_100000101307_100000210202 [0,2,0,0,0,0|1,0,0]=3 2661 B9R0.12 CCSC(OC)C(=O)OC 62a_100000210202_100000101307 [0,2,0,0,0,0|1,0,0]=3 2662 B9R0.12 CNC(COC)C(=O)OC 34a_100102657272_100000717350 [0,2,0,0,0,0|1,0,0]=3 2663 B9R0.12 COC(=O)C(CN)OCF 34a_100000695228_100015361967 [0,2,0,0,0,0|2,0,0]=4 2664 B9R0.12 COC(=O)C(CO)SCF 62a_100012276630_100015361967 [0,2,0,0,0,0|2,0,0]=4 2665 B9R0.12 COC(=O)C(CO)SCF 62a_100015361967_100012276630 [0,2,0,0,0,0|2,0,0]=4 2666 B9R0.12 COC(=O)C(OC)OCF 34a_100000036821_100015361967 [0,2,0,0,0,0|2,0,0]=4 2667 B9R0.12 COC(=O)C(OC)SCF 62a_100000101307_100015361967 [0,2,0,0,0,0|2,0,0]=4 2668 B9R0.12 COC(=O)C(OC)SCF 62a_100015361967_100000101307 [0,2,0,0,0,0|2,0,0]=4 2669 B9R0.12 COCC(OC)C(=O)OC 34a_100138415774_100000717350 [0,2,0,0,0,0|1,0,0]=3 2670 B9R0.12 COCC(SC)C(=O)OC 62a_100000717350_200000210301 [0,2,0,0,0,0|1,0,0]=3 2671 B9R0.12 COCC(SC)C(=O)OC 62a_200000210301_100000717350 [0,2,0,0,0,0|1,0,0]=3 2672 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_100000717350_200025704644 [0,2,0,0,0,0|1,0,0]=3 2673 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_200025704644_100000717350 [0,2,0,0,0,0|1,0,0]=3 2674 B9R0.19 CCCC(C)C(C)(C)OC 7a_200011218223_200000210301 [0,2,0,0,0,0|1,0,1]=4 2675 B9R0.19 CCCC(C)C(C)(C)O[13CH3] 7a_200011218223_200025704644 [0,2,0,0,0,0|1,0,1]=4 2676 B9R0.19 CCCC(C)S(=O)(=O)NC 270084a_100102657272_100000718301 [0,2,0,0,0,0|1,0,1]=4 2677 B9R0.19 CCCC(C)S(=O)(=O)NC 274078a_100102657272_100000718301 [0,2,0,0,0,0|1,0,1]=4 2678 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100000210906_100000184674 [0,2,0,0,0,0|1,0,0]=3 2679 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100011220946_100000766640 [0,2,0,0,0,0|1,0,0]=3 2680 B9R0.35 C#CCC(=O)C(C)CCO 1458a_100011220946_100009893172 [0,2,0,0,0,0|2,0,0]=4 2681 B9R0.35 C#CCC(=O)C(C)COC 1458a_100000751857_100000184674 [0,2,0,0,0,0|2,0,0]=4 2682 B9R0.35 C#CCC(=O)C(C)COC 1458a_100011220946_100000765312 [0,2,0,0,0,0|2,0,0]=4 2683 B9R0.35 C#CCC(=O)C(C)CSC 1458a_100000753918_100000184674 [0,2,0,0,0,0|2,0,0]=4 2684 B9R0.35 C#CCC(=O)C(C)OCC 1458a_100000739345_100000184674 [0,2,0,0,0,0|2,0,0]=4 2685 B9R0.35 C#CCC(=O)C(C)SCC 1458a_100000230601_100000184674 [0,2,0,0,0,0|2,0,0]=4 2686 B9R0.35 C#CCC(=O)N(C)CCC 1626a_100000747261_100011220946 [0,2,0,0,0,0|2,0,0]=4 2687 B9R0.35 C#CCC(=O)N(C)CCC 527a_100000747261_100011220946 [0,2,0,0,0,0|2,0,0]=4 2688 B9R0.35 C#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000184674 [0,2,0,0,0,0|2,0,0]=4 2689 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210193_100000766640 [0,2,0,0,0,0|1,0,0]=3 2690 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210906_100000210623 [0,2,0,0,0,0|1,0,0]=3 2691 B9R0.35 C=CCC(=O)C(C)CCO 1458a_100000210193_100009893172 [0,2,0,0,0,0|2,0,0]=4 2692 B9R0.35 C=CCC(=O)C(C)COC 1458a_100000210193_100000765312 [0,2,0,0,0,0|2,0,0]=4 2693 B9R0.35 C=CCC(=O)C(C)COC 1458a_100000751857_100000210623 [0,2,0,0,0,0|2,0,0]=4 2694 B9R0.35 C=CCC(=O)C(C)CSC 1458a_100000753918_100000210623 [0,2,0,0,0,0|2,0,0]=4 2695 B9R0.35 C=CCC(=O)C(C)OCC 1458a_100000739345_100000210623 [0,2,0,0,0,0|2,0,0]=4 2696 B9R0.35 C=CCC(=O)C(C)SCC 1458a_100000230601_100000210623 [0,2,0,0,0,0|2,0,0]=4 2697 B9R0.35 C=CCC(=O)N(C)CCC 11a_100000747261_100000210193 [0,2,0,0,0,0|2,0,0]=4 2698 B9R0.35 C=CCC(=O)N(C)CCC 1626a_100000747261_100000210193 [0,2,0,0,0,0|2,0,0]=4 2699 B9R0.35 C=CCC(=O)N(C)CCC 240690a_100000747261_100000210193 [0,2,0,0,0,0|2,0,0]=4 2700 B9R0.35 C=CCC(=O)N(C)CCC 527a_100000747261_100000210193 [0,2,0,0,0,0|2,0,0]=4 2701 B9R0.35 C=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210623 [0,2,0,0,0,0|2,0,0]=4 2702 B9R0.35 C=CCC(C)C(=O)CCO 1458a_100011216819_100000211926 [0,2,0,0,0,0|0,0,2]=4 2703 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [0,2,0,0,0,0|1,0,0]=3 2704 B9R0.35 CC#CC(=O)C(C)CCO 1458a_100000763181_100009893172 [0,2,0,0,0,0|2,0,0]=4 2705 B9R0.35 CC#CC(=O)C(C)COC 1458a_100000763181_100000765312 [0,2,0,0,0,0|2,0,0]=4 2706 B9R0.35 CC(CC#N)C(=O)CCO 1458a_100011216618_100009813641 [0,2,0,0,0,0|1,0,1]=4 2707 B9R0.35 CC(CCO)C(=O)C=CBr 1458a_100016273825_100009893172 [0,2,0,0,0,0|2,0,0]=4 2708 B9R0.35 CC(CCO)C(=O)C=CCl 1458a_200016279998_100009893172 [0,2,0,0,0,0|2,0,0]=4 2709 B9R0.35 CC(CCO)C(=O)C=CI 1458a_100016256311_100009893172 [0,2,0,0,0,0|2,0,0]=4 2710 B9R0.35 CC(CCO)C(=O)CC#N 1458a_100051588842_100009893172 [0,2,0,0,0,0|2,0,0]=4 2711 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [0,2,0,0,0,0|1,0,0]=3 2712 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,2,0,0,0,0|0,0,2]=4 2713 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,2,0,0,0,0|1,0,0]=3 2714 B9R0.35 CC=CC(=O)C(C)CCO 1458a_100000210699_100009893172 [0,2,0,0,0,0|2,0,0]=4 2715 B9R0.35 CC=CC(=O)C(C)COC 1458a_100000210699_100000765312 [0,2,0,0,0,0|2,0,0]=4 2716 B9R0.35 CC=CC(=O)N(C)CCC 11a_100000747261_100000210699 [0,2,0,0,0,0|2,0,0]=4 2717 B9R0.35 CC=CC(=O)N(C)CCC 1626a_100000747261_100000210699 [0,2,0,0,0,0|2,0,0]=4 2718 B9R0.35 CC=CC(=O)N(C)CCC 240690a_100000747261_100000210699 [0,2,0,0,0,0|2,0,0]=4 2719 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,2,0,0,0,0|1,0,0]=3 2720 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,2,0,0,0,0|1,0,0]=3 2721 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,2,0,0,0,0|2,0,0]=4 2722 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,2,0,0,0,0|2,0,0]=4 2723 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,2,0,0,0,0|2,0,0]=4 2724 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,2,0,0,0,0|2,0,0]=4 2725 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,2,0,0,0,0|2,0,0]=4 2726 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,2,0,0,0,0|2,0,0]=4 2727 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 2728 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 2729 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 2730 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 2731 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,2,0,0,0,0|2,0,0]=4 2732 B9R0.35 CCCC(C)C(=O)C=CBr 1458a_100016273825_100000766640 [0,2,0,0,0,0|1,0,0]=3 2733 B9R0.35 CCCC(C)C(=O)C=CCl 1458a_200016279998_100000766640 [0,2,0,0,0,0|1,0,0]=3 2734 B9R0.35 CCCC(C)C(=O)C=CI 1458a_100016256311_100000766640 [0,2,0,0,0,0|1,0,0]=3 2735 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100000210906_100011214920 [0,2,0,0,0,0|1,0,0]=3 2736 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100051588842_100000766640 [0,2,0,0,0,0|1,0,0]=3 2737 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,2,0,0,0,0|1,0,0]=3 2738 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,2,0,0,0,0|0,0,0]=2 2739 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,2,0,0,0,0|0,0,0]=2 2740 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,2,0,0,0,0|0,0,0]=2 2741 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,2,0,0,0,0|0,1,0]=3 2742 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,2,0,0,0,0|1,0,0]=3 2743 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,2,0,0,0,0|1,0,0]=3 2744 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,2,0,0,0,0|1,0,0]=3 2745 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [0,2,0,0,0,0|1,0,0]=3 2746 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [0,2,0,0,0,0|1,0,1]=4 2747 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [0,2,0,0,0,0|1,0,1]=4 2748 B9R0.35 CCCC(C)C(C)OCF 34a_100000708338_100015361967 [0,2,0,0,0,0|1,0,1]=4 2749 B9R0.35 CCCC(C)C(C)OCF 7a_100000708338_100015361967 [0,2,0,0,0,0|1,0,1]=4 2750 B9R0.35 CCCC(C)N(C)CCO 2230a_100000210263_100000766640 [0,2,0,0,0,0|2,0,0]=4 2751 B9R0.35 CCCC(C)N(C)CCO 269982a_100000210263_100000766640 [0,2,0,0,0,0|2,0,0]=4 2752 B9R0.35 CCCC(C)N(C)CCO 270004a_100000210263_100000211909 [0,2,0,0,0,0|2,0,0]=4 2753 B9R0.35 CCCN(C)C(=O)C=CBr 1626a_100000747261_100016273825 [0,2,0,0,0,0|2,0,0]=4 2754 B9R0.35 CCCN(C)C(=O)C=CBr 240690a_100000747261_100016273825 [0,2,0,0,0,0|2,0,0]=4 2755 B9R0.35 CCCN(C)C(=O)C=CCl 11a_100000747261_200016279998 [0,2,0,0,0,0|2,0,0]=4 2756 B9R0.35 CCCN(C)C(=O)C=CCl 1626a_100000747261_200016279998 [0,2,0,0,0,0|2,0,0]=4 2757 B9R0.35 CCCN(C)C(=O)C=CCl 240690a_100000747261_200016279998 [0,2,0,0,0,0|2,0,0]=4 2758 B9R0.35 CCCN(C)C(=O)C=CI 1626a_100000747261_100016256311 [0,2,0,0,0,0|2,0,0]=4 2759 B9R0.35 CCCN(C)C(=O)CC#N 1626a_100000747261_100051588842 [0,2,0,0,0,0|2,0,0]=4 2760 B9R0.35 CCCN(C)C(=O)CC#N 240690a_100000747261_100051588842 [0,2,0,0,0,0|2,0,0]=4 2761 B9R0.35 CCCN(C)C(=O)CCO 240690a_100000747261_100011216618 [0,2,0,0,0,0|1,0,0]=3 2762 B9R0.35 CCCN(C)C(=O)COC 11a_100000747261_100000210968 [0,2,0,0,0,0|1,0,0]=3 2763 B9R0.35 CCCN(C)C(=O)COC 1626a_100000747261_100000210968 [0,2,0,0,0,0|1,0,0]=3 2764 B9R0.35 CCCN(C)C(=O)COC 240690a_100000747261_100000210968 [0,2,0,0,0,0|1,0,0]=3 2765 B9R0.35 CCCN(C)C(=O)COC 527a_100000747261_100000210968 [0,2,0,0,0,0|1,0,0]=3 2766 B9R0.35 CCCN(C)C(=O)CSC 11a_100000747261_100000184570 [0,2,0,0,0,0|1,1,0]=4 2767 B9R0.35 CCCN(C)C(=O)CSC 1626a_100000747261_100000184570 [0,2,0,0,0,0|1,1,0]=4 2768 B9R0.35 CCCN(C)C(=O)CSC 240690a_100000747261_100000184570 [0,2,0,0,0,0|1,1,0]=4 2769 B9R0.35 CCCN(C)C(=O)CSC 527a_100000747261_100000184570 [0,2,0,0,0,0|1,1,0]=4 2770 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,2,0,0,0,0|2,0,0]=4 2771 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,2,0,0,0,0|2,0,0]=4 2772 B9R0.35 CCC[C@H](O)C(=O)CC#N 1458a_100009822183_100011214920 [0,2,0,0,0,0|2,0,0]=4 2773 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,2,0,0,0,0|2,0,0]=4 2774 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,2,0,0,0,0|1,0,0]=3 2775 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,2,0,0,0,0|2,0,0]=4 2776 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [0,2,0,0,0,0|2,0,0]=4 2777 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,2,0,0,0,0|2,0,0]=4 2778 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,2,0,0,0,0|2,0,0]=4 2779 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,2,0,0,0,0|2,0,0]=4 2780 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,2,0,0,0,0|2,0,0]=4 2781 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,2,0,0,0,0|2,0,0]=4 2782 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,2,0,0,0,0|2,0,0]=4 2783 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [0,2,0,0,0,0|2,0,0]=4 2784 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [0,2,0,0,0,0|2,0,0]=4 2785 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [0,2,0,0,0,0|2,0,0]=4 2786 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,2,0,0,0,0|2,0,0]=4 2787 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,2,0,0,0,0|2,0,0]=4 2788 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,2,0,0,0,0|2,0,0]=4 2789 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,2,0,0,0,0|2,0,0]=4 2790 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,2,0,0,0,0|2,0,0]=4 2791 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,2,0,0,0,0|2,0,0]=4 2792 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,2,0,0,0,0|2,0,0]=4 2793 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,2,0,0,0,0|2,0,0]=4 2794 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,2,0,0,0,0|2,0,0]=4 2795 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,2,0,0,0,0|1,0,0]=3 2796 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,2,0,0,0,0|2,0,0]=4 2797 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [0,2,0,0,0,0|1,1,0]=4 2798 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,2,0,0,0,0|1,0,0]=3 2799 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,2,0,0,0,0|1,0,0]=3 2800 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,2,0,0,0,0|1,0,0]=3 2801 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [0,2,0,0,0,0|2,0,0]=4 2802 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [0,2,0,0,0,0|2,0,0]=4 2803 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,2,0,0,0,0|2,0,0]=4 2804 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,2,0,0,0,0|2,0,0]=4 2805 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,2,0,0,0,0|2,0,0]=4 2806 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,2,0,0,0,0|1,0,0]=3 2807 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,2,0,0,0,0|2,0,0]=4 2808 B9R0.35 CCOC(C)C(=O)CC#N 1458a_100000739345_100011214920 [0,2,0,0,0,0|2,0,0]=4 2809 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [0,2,0,0,0,0|2,0,0]=4 2810 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,2,0,0,0,0|1,0,0]=3 2811 B9R0.35 CCOC(C)C(=O)NNC 22a_100016993582_100000739345 [0,2,0,0,0,0|2,0,0]=4 2812 B9R0.35 CCSC(C)C(=O)CC#N 1458a_100000230601_100011214920 [0,2,0,0,0,0|2,0,0]=4 2813 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [0,2,0,0,0,0|2,0,0]=4 2814 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [0,2,0,0,0,0|1,0,0]=3 2815 B9R0.35 CCSC(C)C(=O)NNC 22a_100016993582_100000230601 [0,2,0,0,0,0|2,0,0]=4 2816 B9R0.35 CN(CCO)C(=O)CCO 240690a_100000210263_100011216618 [0,2,0,0,0,0|2,0,0]=4 2817 B9R0.35 CNNC(=O)C(C)COC 22a_100016993582_100000751857 [0,2,0,0,0,0|2,0,0]=4 2818 B9R0.35 CNNC(=O)C(C)CSC 22a_100016993582_100000753918 [0,2,0,0,0,0|2,0,0]=4 2819 B9R0.35 COCC(=O)C(C)CC#N 1458a_100000210968_100009813641 [0,2,0,0,0,0|1,0,1]=4 2820 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [0,2,0,0,0,0|1,0,0]=3 2821 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [0,2,0,0,0,0|1,0,0]=3 2822 B9R0.35 COCC(=O)N(C)CCO 240690a_100000210263_100000210968 [0,2,0,0,0,0|2,0,0]=4 2823 B9R0.35 COCC(=O)N(C)CCO 527a_100000210263_100000210968 [0,2,0,0,0,0|2,0,0]=4 2824 B9R0.35 COCC(C)C(=O)C=CBr 1458a_100016273825_100000765312 [0,2,0,0,0,0|2,0,0]=4 2825 B9R0.35 COCC(C)C(=O)C=CCl 1458a_200016279998_100000765312 [0,2,0,0,0,0|2,0,0]=4 2826 B9R0.35 COCC(C)C(=O)C=CI 1458a_100016256311_100000765312 [0,2,0,0,0,0|2,0,0]=4 2827 B9R0.35 COCC(C)C(=O)CC#N 1458a_100000751857_100011214920 [0,2,0,0,0,0|2,0,0]=4 2828 B9R0.35 COCC(C)C(=O)CC#N 1458a_100051588842_100000765312 [0,2,0,0,0,0|2,0,0]=4 2829 B9R0.35 COCC(C)C(=O)CCF 1458a_100000751857_100011217306 [0,2,0,0,0,0|2,0,0]=4 2830 B9R0.35 COCC(C)C(=O)CCO 1458a_100000751857_100000211926 [0,2,0,0,0,0|1,0,0]=3 2831 B9R0.35 COCC(C)C(=O)CCO 1458a_100011216618_100000765312 [0,2,0,0,0,0|1,0,0]=3 2832 B9R0.35 COCC(C)C(=O)CSC 1458a_100000184570_100000765312 [0,2,0,0,0,0|1,1,0]=4 2833 B9R0.35 CSCC(=O)C(C)CCO 1458a_100000184570_100009893172 [0,2,0,0,0,0|1,1,0]=4 2834 B9R0.35 CSCC(C)C(=O)CC#N 1458a_100000753918_100011214920 [0,2,0,0,0,0|2,0,0]=4 2835 B9R0.35 CSCC(C)C(=O)CCF 1458a_100000753918_100011217306 [0,2,0,0,0,0|2,0,0]=4 2836 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [0,2,0,0,0,0|1,0,0]=3 2837 B9R0.37 C#CC(OC)C(C)CCC 34a_200011216176_200000210301 [0,2,0,0,0,0|1,0,1]=4 2838 B9R0.37 C#CC(OC)C(C)CCC 7a_200011216176_200000210301 [0,2,0,0,0,0|1,0,1]=4 2839 B9R0.37 C#CC(O[13CH3])C(C)CCC 34a_200011216176_200025704644 [0,2,0,0,0,0|1,0,1]=4 2840 B9R0.37 C#CC(O[13CH3])C(C)CCC 7a_200011216176_200025704644 [0,2,0,0,0,0|1,0,1]=4 2841 B9R0.37 CCCC(C)C(CC)OC 34a_200011218412_200000210301 [0,2,0,0,0,0|1,0,1]=4 2842 B9R0.37 CCCC(C)C(CC)OC 7a_200011218412_200000210301 [0,2,0,0,0,0|1,0,1]=4 2843 B9R0.37 CCCC(C)C(CC)O[13CH3] 34a_200011218412_200025704644 [0,2,0,0,0,0|1,0,1]=4 2844 B9R0.37 CCCC(C)C(CC)O[13CH3] 7a_200011218412_200025704644 [0,2,0,0,0,0|1,0,1]=4 2845 B9R0.60 CCCC(C)(C)C(=O)CC 1458a_100011215034_100000210202 [0,2,0,0,0,0|1,0,0]=3 2846 B9R0.60 CCCC(C)(C)C(=O)CF 1458a_100011215034_100015361967 [0,2,0,0,0,0|1,0,0]=3 2847 B9R0.60 CCCC(C)(C)C(=O)NC 11a_106832991635_100011215034 [0,2,0,0,0,0|1,0,0]=3 2848 B9R0.60 CCCC(C)(C)C(=O)NC 1626a_100102657272_100011215034 [0,2,0,0,0,0|1,0,0]=3 2849 B9R0.60 CCCC(C)(C)C(=O)NC 240690a_100102657272_100011215034 [0,2,0,0,0,0|1,0,0]=3 2850 B9R0.60 CCCC(C)(C)C(=O)NC 527a_100102657272_100011215034 [0,2,0,0,0,0|1,0,0]=3 2851 B9R0.60 CCNC(C)(C)C(=O)NC 2230a_100015525214_100000732697 [0,2,0,0,0,0|2,0,0]=4 2852 B9R0.60 CCNC(C)(C)C(=O)OC 2230a_100015525214_100000689032 [0,2,0,0,0,0|1,0,0]=3 2853 B9R0.60 CCNC(C)(F)C(=O)OC 2230a_100015525214_200009867631 [0,2,0,0,0,0|1,0,0]=3 2854 B9R0.60 CCOC(C)(C)C(=O)CC 1458a_100011458965_100000210202 [0,2,0,0,0,0|2,0,0]=4 2855 B9R0.60 CCOC(C)(C)C(=O)CF 1458a_100011458965_100015361967 [0,2,0,0,0,0|2,0,0]=4 2856 B9R0.60 CCOC(C)(C)C(=O)NC 11a_106832991635_100011458965 [0,2,0,0,0,0|2,0,0]=4 2857 B9R0.60 CCOC(C)(C)C(=O)NC 1626a_100102657272_100011458965 [0,2,0,0,0,0|2,0,0]=4 2858 B9R0.60 CCOC(C)(C)C(=O)NC 240690a_100102657272_100011458965 [0,2,0,0,0,0|2,0,0]=4 2859 B9R0.60 CCOC(C)(C)C(=O)NC 34a_100121572206_100000732697 [0,2,0,0,0,0|2,0,0]=4 2860 B9R0.60 CCOC(C)(C)C(=O)NC 527a_100102657272_100011458965 [0,2,0,0,0,0|2,0,0]=4 2861 B9R0.60 CCOC(C)(C)C(=O)NN 34a_100000061348_100000210202 [0,2,0,0,0,0|2,0,0]=4 2862 B9R0.60 CCOC(C)(C)C(=O)OC 34a_100011217581_100000210202 [0,2,0,0,0,0|1,0,0]=3 2863 B9R0.60 CCOC(C)(C)C(=O)OC 7a_100011217581_100000210202 [0,2,0,0,0,0|1,0,0]=3 2864 B9R0.60 CCOC(C)(F)C(=O)OC 34a_100121572206_200009867631 [0,2,0,0,0,0|1,0,0]=3 2865 B9R0.60 CCOC(F)(F)C(=O)OC 34a_100121572206_100000211177 [0,2,0,0,0,0|2,0,0]=4 2866 B9R0.60 CCSC(C)(C)C(=O)NC 62a_100000210202_100000732697 [0,2,0,0,0,0|2,0,0]=4 2867 B9R0.60 CCSC(C)(C)C(=O)NC 62a_100000732697_100000210202 [0,2,0,0,0,0|2,0,0]=4 2868 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000210202_100000689032 [0,2,0,0,0,0|1,0,0]=3 2869 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000689032_100000210202 [0,2,0,0,0,0|1,0,0]=3 2870 B9R0.60 CCSC(C)(F)C(=O)OC 62a_100000210202_200009867631 [0,2,0,0,0,0|1,0,0]=3 2871 B9R0.60 CCSC(C)(F)C(=O)OC 62a_200009867631_100000210202 [0,2,0,0,0,0|1,0,0]=3 2872 B9R0.60 CCSC(F)(F)C(=O)OC 62a_100000210202_100000211177 [0,2,0,0,0,0|2,0,0]=4 2873 B9R0.60 CCSC(F)(F)C(=O)OC 62a_100000211177_100000210202 [0,2,0,0,0,0|2,0,0]=4 2874 B9R0.60 CNC(=O)C(C)(C)COC 34a_100138415774_100000702813 [0,2,0,0,0,0|2,0,0]=4 2875 B9R0.60 CNC(=O)C(C)(C)CSC 62a_100000702813_200000210301 [0,2,0,0,0,0|2,0,0]=4 2876 B9R0.60 CNC(=O)C(C)(C)CSC 62a_200000210301_100000702813 [0,2,0,0,0,0|2,0,0]=4 2877 B9R0.60 CNC(=O)C(C)(C)CS[13CH3] 62a_100000702813_200025704644 [0,2,0,0,0,0|2,0,0]=4 2878 B9R0.60 CNC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100000702813 [0,2,0,0,0,0|2,0,0]=4 2879 B9R0.60 CNCC(C)(C)C(=O)NC 34a_100102657272_100000702813 [0,2,0,0,0,0|2,0,0]=4 2880 B9R0.60 CNCC(F)(F)C(=O)OC 34a_100102657272_100010295740 [0,2,0,0,0,0|2,0,0]=4 2881 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 34a_100000709632_200025704644 [0,2,0,0,0,0|1,0,0]=3 2882 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 7a_100000709632_200025704644 [0,2,0,0,0,0|1,0,0]=3 2883 B9R0.60 COC(=O)C(C)(C)CSC 62a_100000684552_200000210301 [0,2,0,0,0,0|1,0,0]=3 2884 B9R0.60 COC(=O)C(C)(C)CSC 62a_200000210301_100000684552 [0,2,0,0,0,0|1,0,0]=3 2885 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_100000684552_200025704644 [0,2,0,0,0,0|1,0,0]=3 2886 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100000684552 [0,2,0,0,0,0|1,0,0]=3 2887 B9R0.60 COC(=O)C(C)(C)OCF 34a_100011217581_100015361967 [0,2,0,0,0,0|2,0,0]=4 2888 B9R0.60 COC(=O)C(C)(C)OCF 7a_100011217581_100015361967 [0,2,0,0,0,0|2,0,0]=4 2889 B9R0.60 COC(=O)C(C)(C)SCF 62a_100000689032_100015361967 [0,2,0,0,0,0|2,0,0]=4 2890 B9R0.60 COC(=O)C(C)(C)SCF 62a_100015361967_100000689032 [0,2,0,0,0,0|2,0,0]=4 2891 B9R0.60 COC(=O)C(C)(F)SCF 62a_100015361967_200009867631 [0,2,0,0,0,0|2,0,0]=4 2892 B9R0.60 COC(=O)C(C)(F)SCF 62a_200009867631_100015361967 [0,2,0,0,0,0|2,0,0]=4 2893 B9R0.60 COC(=O)C(F)(F)CSC 62a_100010295740_200000210301 [0,2,0,0,0,0|2,0,0]=4 2894 B9R0.60 COC(=O)C(F)(F)CSC 62a_200000210301_100010295740 [0,2,0,0,0,0|2,0,0]=4 2895 B9R0.60 COC(=O)C(F)(F)CS[13CH3] 62a_100010295740_200025704644 [0,2,0,0,0,0|2,0,0]=4 2896 B9R0.60 COC(=O)C(F)(F)CS[13CH3] 62a_200025704644_100010295740 [0,2,0,0,0,0|2,0,0]=4 2897 B9R0.60 COCC(C)(C)C(=O)OC 34a_100000709632_200000210301 [0,2,0,0,0,0|1,0,0]=3 2898 B9R0.60 COCC(C)(C)C(=O)OC 7a_100000709632_200000210301 [0,2,0,0,0,0|1,0,0]=3 2899 B9R0.60 COCC(F)(F)C(=O)OC 34a_100138415774_100010295740 [0,2,0,0,0,0|2,0,0]=4 2900 B9R0.3 CCCNC(C)C(C)(C)O 269862a_100020643023_100000747739 [0,2,0,0,0,0|1,0,1]=4 2901 B9R0.3 CCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210303 [0,2,0,0,0,0|1,0,1]=4 2902 B9R0.7 C=C(C)C(C)NCC(C)C 269862a_100000210953_100011216138 [0,2,0,0,0,0|2,0,0]=4 2903 B9R0.7 C=C(C)C(C)NCC(C)O 269862a_100000210904_100011216138 [0,2,0,0,0,0|2,0,0]=4 2904 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,2,0,0,0,0|0,0,1]=3 2905 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748629 [0,2,0,0,0,0|1,0,1]=4 2906 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748629 [0,2,0,0,0,0|1,0,1]=4 2907 B9R0.7 C=C(C)COC(C)C(=O)C 34a_100000212229_100000748629 [0,2,0,0,0,0|1,0,1]=4 2908 B9R0.7 C=C(C)COC(C)C(=O)N 34a_100000210245_100000702099 [0,2,0,0,0,0|1,0,1]=4 2909 B9R0.7 C=C(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748629 [0,2,0,0,0,0|0,0,2]=4 2910 B9R0.7 C=C(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748629 [0,2,0,0,0,0|1,0,1]=4 2911 B9R0.7 C=C(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748629 [0,2,0,0,0,0|1,0,1]=4 2912 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100000748629_100009814033 [0,2,0,0,0,0|1,0,1]=4 2913 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100009814033_100000211660 [0,2,0,0,0,0|1,0,1]=4 2914 B9R0.7 C=C(C)CSC(C)C(=O)N 62a_100000702099_100000211660 [0,2,0,0,0,0|1,0,1]=4 2915 B9R0.7 C=C(C)CSC(C)C(=O)N 62a_100000748629_100000702099 [0,2,0,0,0,0|1,0,1]=4 2916 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 269956a_100000743915_100000042424 [0,2,0,0,0,0|0,0,2]=4 2917 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,2,0,0,0,0|1,0,0]=3 2918 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,2,0,0,0,0|1,0,0]=3 2919 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,2,0,0,0,0|1,0,0]=3 2920 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,2,0,0,0,0|1,0,0]=3 2921 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,2,0,0,0,0|1,0,0]=3 2922 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,2,0,0,0,0|1,0,0]=3 2923 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,2,0,0,0,0|1,0,0]=3 2924 B9R0.7 CC(=O)C(C)OCC(F)F 34a_100000212229_100011934356 [0,2,0,0,0,0|2,0,0]=4 2925 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,2,0,0,0,0|1,0,0]=3 2926 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,2,0,0,0,0|1,0,0]=3 2927 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,2,0,0,0,0|1,0,0]=3 2928 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,2,0,0,0,0|1,0,0]=3 2929 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,2,0,0,0,0|1,0,0]=3 2930 B9R0.7 CC(=O)C(C)SCC(F)F 62a_100009814033_100011934356 [0,2,0,0,0,0|2,0,0]=4 2931 B9R0.7 CC(=O)C(C)SCC(F)F 62a_100011934356_100009814033 [0,2,0,0,0,0|2,0,0]=4 2932 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,2,0,0,0,0|1,0,0]=3 2933 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,2,0,0,0,0|1,0,0]=3 2934 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,2,0,0,0,0|2,0,0]=4 2935 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [0,2,0,0,0,0|1,0,1]=4 2936 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,2,0,0,0,0|2,0,0]=4 2937 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,2,0,0,0,0|2,0,0]=4 2938 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,2,0,0,0,0|2,0,0]=4 2939 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,2,0,0,0,0|2,0,0]=4 2940 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,2,0,0,0,0|2,0,0]=4 2941 B9R0.7 CC(=O)N(C)CCN(C)C 240690a_100000225618_100015343762 [0,2,0,0,0,0|2,0,0]=4 2942 B9R0.7 CC(=O)N(C)CCN(C)C 527a_100000225618_100103153847 [0,2,0,0,0,0|2,0,0]=4 2943 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,2,0,0,0,0|1,0,1]=4 2944 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,2,0,0,0,0|1,0,1]=4 2945 B9R0.7 CC(Br)COC(C)C(=O)N 34a_100012180447_100000702099 [0,2,0,0,0,0|1,0,0]=3 2946 B9R0.7 CC(Br)COC(F)C(=O)N 34a_100012180447_100009813875 [0,2,0,0,0,0|2,0,0]=4 2947 B9R0.7 CC(Br)COC(F)C(=O)[O-] 34a_100012180447_100020610796 [0,2,0,0,0,0|1,0,1]=4 2948 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,2,0,0,0,0|1,0,0]=3 2949 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,2,0,0,0,0|1,0,0]=3 2950 B9R0.7 CC(C)CNC(F)C(=O)N 2230a_100000210953_100009813875 [0,2,0,0,0,0|2,0,0]=4 2951 B9R0.7 CC(C)CNC(F)C(=O)N 34a_100000210953_100009813875 [0,2,0,0,0,0|2,0,0]=4 2952 B9R0.7 CC(C)CNC(F)C(=O)[O-] 34a_100000210953_100020610796 [0,2,0,0,0,0|1,0,1]=4 2953 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,2,0,0,0,0|0,0,0]=2 2954 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,2,0,0,0,0|1,0,0]=3 2955 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,2,0,0,0,0|1,0,0]=3 2956 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,2,0,0,0,0|1,0,0]=3 2957 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,2,0,0,0,0|1,0,0]=3 2958 B9R0.7 CC(C)COC(F)C(=O)N 34a_100000210257_100009813875 [0,2,0,0,0,0|2,0,0]=4 2959 B9R0.7 CC(C)COC(F)C(=O)[O-] 34a_100000210257_100020610796 [0,2,0,0,0,0|1,0,1]=4 2960 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,2,0,0,0,0|0,0,1]=3 2961 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,2,0,0,0,0|1,0,0]=3 2962 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,2,0,0,0,0|1,0,0]=3 2963 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,2,0,0,0,0|1,0,0]=3 2964 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,2,0,0,0,0|1,0,0]=3 2965 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100000210624_100009813875 [0,2,0,0,0,0|2,0,0]=4 2966 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100009813875_100000210760 [0,2,0,0,0,0|2,0,0]=4 2967 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100000210624_100020610796 [0,2,0,0,0,0|1,0,1]=4 2968 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000210760 [0,2,0,0,0,0|1,0,1]=4 2969 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,2,0,0,0,0|0,0,0]=2 2970 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,2,0,0,0,0|1,0,0]=3 2971 B9R0.7 CC(C)OCC(C)[N+](=O)[O-] 34a_100000039676_100000210206 [0,2,0,0,0,0|1,0,1]=4 2972 B9R0.7 CC(C)OCC(C)[N+](=O)[O-] 7a_100000039676_100000210206 [0,2,0,0,0,0|1,0,1]=4 2973 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,2,0,0,0,0|2,0,0]=4 2974 B9R0.7 CC(F)COC(C)C(=O)N 34a_100015925927_100000702099 [0,2,0,0,0,0|1,0,0]=3 2975 B9R0.7 CC(F)COC(F)C(=O)N 34a_100015925927_100009813875 [0,2,0,0,0,0|2,0,0]=4 2976 B9R0.7 CC(F)COC(F)C(=O)[O-] 34a_100015925927_100020610796 [0,2,0,0,0,0|1,0,1]=4 2977 B9R0.7 CC(NCC(F)F)C(=O)N 34a_100000765723_100000702099 [0,2,0,0,0,0|2,0,0]=4 2978 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [0,2,0,0,0,0|1,0,0]=3 2979 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [0,2,0,0,0,0|1,0,0]=3 2980 B9R0.7 CC(O)CNC(F)C(=O)N 2230a_100000210904_100009813875 [0,2,0,0,0,0|2,0,0]=4 2981 B9R0.7 CC(O)CNC(F)C(=O)N 34a_100000210904_100009813875 [0,2,0,0,0,0|2,0,0]=4 2982 B9R0.7 CC(O)CNC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,2,0,0,0,0|1,0,1]=4 2983 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,2,0,0,0,0|0,0,0]=2 2984 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [0,2,0,0,0,0|1,0,0]=3 2985 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [0,2,0,0,0,0|1,0,0]=3 2986 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [0,2,0,0,0,0|0,0,1]=3 2987 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [0,2,0,0,0,0|1,0,0]=3 2988 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [0,2,0,0,0,0|1,0,0]=3 2989 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [0,2,0,0,0,0|1,0,0]=3 2990 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [0,2,0,0,0,0|1,0,0]=3 2991 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100009813875_100011218427 [0,2,0,0,0,0|2,0,0]=4 2992 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100011218427_100009813875 [0,2,0,0,0,0|2,0,0]=4 2993 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100011218427_100020610796 [0,2,0,0,0,0|1,0,1]=4 2994 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218427 [0,2,0,0,0,0|1,0,1]=4 2995 B9R0.7 CC(OCC(F)F)C(=O)N 34a_100000743014_100000702099 [0,2,0,0,0,0|2,0,0]=4 2996 B9R0.7 CC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000702099 [0,2,0,0,0,0|1,0,0]=3 2997 B9R0.7 CC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000702099 [0,2,0,0,0,0|1,0,0]=3 2998 B9R0.7 CC(SCC(F)F)C(=O)N 62a_100000702099_100011934356 [0,2,0,0,0,0|2,0,0]=4 2999 B9R0.7 CC(SCC(F)F)C(=O)N 62a_100011934356_100000702099 [0,2,0,0,0,0|2,0,0]=4 3000 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [0,2,0,0,0,0|1,0,0]=3 3001 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [0,2,0,0,0,0|1,0,0]=3 3002 B9R0.7 C[C@@H](Cl)COC(F)C(=O)N 34a_100016084084_100009813875 [0,2,0,0,0,0|2,0,0]=4 3003 B9R0.7 C[C@@H](Cl)COC(F)C(=O)[O-] 34a_100016084084_100020610796 [0,2,0,0,0,0|1,0,1]=4 3004 B9R0.7 C[C@@H](N)COC(F)C(=O)N 34a_100000737577_100009813875 [0,2,0,0,0,0|2,0,0]=4 3005 B9R0.7 C[C@@H](N)COC(F)C(=O)[O-] 34a_100000737577_100020610796 [0,2,0,0,0,0|1,0,1]=4 3006 B9R0.7 C[C@@H](NCC(F)F)C(=O)N 2230a_100000119354_100011934356 [0,2,0,0,0,0|2,0,0]=4 3007 B9R0.7 C[C@@H](NCC(F)F)C(=O)N 34a_100000119354_100011934356 [0,2,0,0,0,0|2,0,0]=4 3008 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [0,2,0,0,0,0|1,0,0]=3 3009 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [0,2,0,0,0,0|1,0,0]=3 3010 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [0,2,0,0,0,0|1,0,0]=3 3011 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [0,2,0,0,0,0|1,0,0]=3 3012 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009813875_100009817552 [0,2,0,0,0,0|2,0,0]=4 3013 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009817552_100009813875 [0,2,0,0,0,0|2,0,0]=4 3014 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100009817552_100020610796 [0,2,0,0,0,0|1,0,1]=4 3015 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100020610796_100009817552 [0,2,0,0,0,0|1,0,1]=4 3016 B9R0.7 C[C@@H](OCC(F)F)C(=O)N 34a_100000731257_100011934356 [0,2,0,0,0,0|2,0,0]=4 3017 B9R0.7 C[C@@H](OCC(F)F)C(=O)N 7a_100000731257_100011934356 [0,2,0,0,0,0|2,0,0]=4 3018 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,2,0,0,0,0|1,0,1]=4 3019 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,2,0,0,0,0|1,0,1]=4 3020 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [0,2,0,0,0,0|1,0,0]=3 3021 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,2,0,0,0,0|0,0,0]=2 3022 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000743915_100000761209 [0,2,0,0,0,0|2,0,0]=4 3023 B9R0.7 C[C@H](OCC(F)F)C(=O)[O-] 7a_217856618621_100011934356 [0,2,0,0,0,0|1,0,1]=4 3024 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [0,2,0,0,0,0|0,0,1]=3 3025 B9R0.13 C#CCNC(CO)C(=O)O 269956a_100000187304_100000184674 [0,2,0,0,0,0|0,0,2]=4 3026 B9R0.13 C#CCN[C@H](CC)C(=O)O 269956a_100000747097_100000184674 [0,2,0,0,0,0|0,0,2]=4 3027 B9R0.13 C=CCNC(CO)C(=O)O 269956a_100000187304_100000210623 [0,2,0,0,0,0|0,0,2]=4 3028 B9R0.13 C=CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210623 [0,2,0,0,0,0|0,0,2]=4 3029 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [0,2,0,0,0,0|0,0,1]=3 3030 B9R0.13 C=C[C@H](NCCF)C(=O)O 269956a_100016992060_100011217306 [0,2,0,0,0,0|1,0,1]=4 3031 B9R0.13 C=C[C@H](NCCO)C(=O)O 269956a_100016992060_100000211926 [0,2,0,0,0,0|1,0,1]=4 3032 B9R0.13 C=C[C@H](NCOC)C(=O)O 269956a_100016992060_100000766300 [0,2,0,0,0,0|1,0,1]=4 3033 B9R0.13 C=C[C@H](NCSC)C(=O)O 269956a_100016992060_100011218213 [0,2,0,0,0,0|1,0,1]=4 3034 B9R0.13 CCC(NCCF)C(=O)N 2230a_100000733705_100011217306 [0,2,0,0,0,0|2,0,0]=4 3035 B9R0.13 CCC(NCCF)C(=O)N 34a_100000724931_100000750255 [0,2,0,0,0,0|2,0,0]=4 3036 B9R0.13 CCC(NCCF)C(=O)N 34a_100000733705_100011217306 [0,2,0,0,0,0|2,0,0]=4 3037 B9R0.13 CCC(NCCO)C(=O)N 2230a_100000733705_100000211926 [0,2,0,0,0,0|2,0,0]=4 3038 B9R0.13 CCC(NCCO)C(=O)N 2230a_100016997473_100000750255 [0,2,0,0,0,0|2,0,0]=4 3039 B9R0.13 CCC(NCCO)C(=O)N 34a_100000733705_100000211926 [0,2,0,0,0,0|2,0,0]=4 3040 B9R0.13 CCC(NCCO)C(=O)N 34a_100016990907_100000750255 [0,2,0,0,0,0|2,0,0]=4 3041 B9R0.13 CCC(NCOC)C(=O)N 2230a_100000733705_100000766300 [0,2,0,0,0,0|2,0,0]=4 3042 B9R0.13 CCC(NCSC)C(=O)N 2230a_100000733705_100011218213 [0,2,0,0,0,0|2,0,0]=4 3043 B9R0.13 CCC(NCSC)C(=O)N 34a_100000733705_100011218213 [0,2,0,0,0,0|2,0,0]=4 3044 B9R0.13 CCC(OCCBr)C(=O)N 34a_100000211926_100000750255 [0,2,0,0,0,0|2,0,0]=4 3045 B9R0.13 CCC(OCCN)C(=O)N 34a_100000210304_100000750255 [0,2,0,0,0,0|2,0,0]=4 3046 B9R0.13 CCC(SCCF)C(=O)N 62a_100000750255_100011217306 [0,2,0,0,0,0|2,0,0]=4 3047 B9R0.13 CCC(SCCF)C(=O)N 62a_100011217306_100000750255 [0,2,0,0,0,0|2,0,0]=4 3048 B9R0.13 CCC(SCCO)C(=O)N 62a_100000211926_100000750255 [0,2,0,0,0,0|2,0,0]=4 3049 B9R0.13 CCC(SCCO)C(=O)N 62a_100000750255_100000211926 [0,2,0,0,0,0|2,0,0]=4 3050 B9R0.13 CCC(SCOC)C(=O)N 62a_100000750255_100000766300 [0,2,0,0,0,0|2,0,0]=4 3051 B9R0.13 CCC(SCOC)C(=O)N 62a_100000766300_100000750255 [0,2,0,0,0,0|2,0,0]=4 3052 B9R0.13 CCC(SCSC)C(=O)N 62a_100000750255_100011218213 [0,2,0,0,0,0|2,0,0]=4 3053 B9R0.13 CCC(SCSC)C(=O)N 62a_100011218213_100000750255 [0,2,0,0,0,0|2,0,0]=4 3054 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,2,0,0,0,0|1,0,0]=3 3055 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,2,0,0,0,0|1,0,0]=3 3056 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,2,0,0,0,0|1,0,0]=3 3057 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,2,0,0,0,0|1,0,0]=3 3058 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,2,0,0,0,0|1,0,0]=3 3059 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,2,0,0,0,0|1,0,0]=3 3060 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,2,0,0,0,0|1,0,0]=3 3061 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,2,0,0,0,0|1,0,0]=3 3062 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,2,0,0,0,0|1,0,0]=3 3063 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,2,0,0,0,0|1,0,0]=3 3064 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,2,0,0,0,0|1,0,0]=3 3065 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [0,2,0,0,0,0|2,0,0]=4 3066 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [0,2,0,0,0,0|2,0,0]=4 3067 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [0,2,0,0,0,0|2,0,0]=4 3068 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [0,2,0,0,0,0|2,0,0]=4 3069 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,2,0,0,0,0|1,0,0]=3 3070 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,2,0,0,0,0|1,0,0]=3 3071 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,2,0,0,0,0|1,0,0]=3 3072 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,2,0,0,0,0|1,0,0]=3 3073 B9R0.13 CCCNC(C#N)C(=O)N 2230a_100000039599_100000210303 [0,2,0,0,0,0|1,0,1]=4 3074 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [0,2,0,0,0,0|1,0,0]=3 3075 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [0,2,0,0,0,0|1,0,0]=3 3076 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,2,0,0,0,0|0,0,0]=2 3077 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210303 [0,2,0,0,0,0|1,0,1]=4 3078 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210303 [0,2,0,0,0,0|1,0,1]=4 3079 B9R0.13 CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210303 [0,2,0,0,0,0|1,0,0]=3 3080 B9R0.13 CCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210303 [0,2,0,0,0,0|1,0,0]=3 3081 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,2,0,0,0,0|0,0,0]=2 3082 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210303 [0,2,0,0,0,0|1,0,1]=4 3083 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210303 [0,2,0,0,0,0|1,0,1]=4 3084 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [0,2,0,0,0,0|1,0,0]=3 3085 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [0,2,0,0,0,0|1,0,0]=3 3086 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [0,2,0,0,0,0|1,0,0]=3 3087 B9R0.13 CCN(CCOC)C(=O)C 11a_100000731262_100015343762 [0,2,0,0,0,0|2,0,0]=4 3088 B9R0.13 CCN(CCOC)C(=O)C 1626a_100000731262_100015343762 [0,2,0,0,0,0|2,0,0]=4 3089 B9R0.13 CCN(CCOC)C(=O)C 240690a_100000731262_100015343762 [0,2,0,0,0,0|2,0,0]=4 3090 B9R0.13 CCN(CCOC)C(=O)C 527a_100000731262_100103153847 [0,2,0,0,0,0|2,0,0]=4 3091 B9R0.13 CC[C@@H](NCC#N)C(=O)O 269956a_100000747097_100011215382 [0,2,0,0,0,0|1,0,1]=4 3092 B9R0.13 CC[C@@H](NCC=O)C(=O)O 269956a_100000747097_200015260668 [0,2,0,0,0,0|1,0,1]=4 3093 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [0,2,0,0,0,0|1,0,0]=3 3094 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [0,2,0,0,0,0|1,0,0]=3 3095 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [0,2,0,0,0,0|1,0,0]=3 3096 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [0,2,0,0,0,0|1,0,0]=3 3097 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [0,2,0,0,0,0|1,0,0]=3 3098 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [0,2,0,0,0,0|1,0,0]=3 3099 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,2,0,0,0,0|0,0,0]=2 3100 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [0,2,0,0,0,0|0,0,0]=2 3101 B9R0.13 COCNC(CO)C(=O)O 269956a_100000187304_100000766300 [0,2,0,0,0,0|1,0,0]=3 3102 B9R0.13 COCN[C@@H](CO)C(=O)N 2230a_100000729942_100000766300 [0,2,0,0,0,0|2,0,0]=4 3103 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [0,2,0,0,0,0|1,0,0]=3 3104 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [0,2,0,0,0,0|1,0,0]=3 3105 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,2,0,0,0,0|0,0,0]=2 3106 B9R0.13 CSCNC(CO)C(=O)O 269956a_100000187304_100011218213 [0,2,0,0,0,0|1,0,0]=3 3107 B9R0.13 CSCN[C@@H](CO)C(=O)N 2230a_100000729942_100011218213 [0,2,0,0,0,0|2,0,0]=4 3108 B9R0.13 CSCN[C@@H](CO)C(=O)N 34a_100000729942_100011218213 [0,2,0,0,0,0|2,0,0]=4 3109 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 3110 B9R0.13 N#CCNC(CO)C(=O)O 269956a_100000187304_100011215382 [0,2,0,0,0,0|1,0,1]=4 3111 B9R0.13 NC(=O)[C@H](CO)NCCF 2230a_100000729942_100011217306 [0,2,0,0,0,0|2,0,0]=4 3112 B9R0.13 NC(=O)[C@H](CO)NCCF 34a_100000729942_100011217306 [0,2,0,0,0,0|2,0,0]=4 3113 B9R0.13 NC(=O)[C@H](CO)NCCO 2230a_100000729942_100000211926 [0,2,0,0,0,0|2,0,0]=4 3114 B9R0.13 NC(=O)[C@H](CO)NCCO 34a_100000729942_100000211926 [0,2,0,0,0,0|2,0,0]=4 3115 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [0,2,0,0,0,0|1,0,0]=3 3116 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [0,2,0,0,0,0|1,0,0]=3 3117 B9R0.13 O=CCNC(CO)C(=O)O 269956a_100000187304_200015260668 [0,2,0,0,0,0|1,0,1]=4 3118 B9R0.42 C#CC(C)NC(C)C(=O)C 2230a_100000707721_100009814033 [0,2,0,0,0,0|2,0,0]=4 3119 B9R0.42 C#CC(C)NC(C)C(=O)N 2230a_100000707721_100000702099 [0,2,0,0,0,0|2,0,0]=4 3120 B9R0.42 C#CC(C)NC(C)C(=O)N 34a_100000707721_100000702099 [0,2,0,0,0,0|2,0,0]=4 3121 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200000035995 [0,2,0,0,0,0|1,0,0]=3 3122 B9R0.42 C#CC(C)N[C@H](C)C(=O)N 34a_100000119354_200000035995 [0,2,0,0,0,0|2,0,0]=4 3123 B9R0.42 C#CC(C)OC(C)C(=O)C 34a_100000212229_200000035995 [0,2,0,0,0,0|2,0,0]=4 3124 B9R0.42 C#CC(C)O[C@H](C)C(=O)N 34a_100000731257_200000035995 [0,2,0,0,0,0|2,0,0]=4 3125 B9R0.42 C#CC(C)SC(C)C(=O)C 62a_200000035995_100009814033 [0,2,0,0,0,0|2,0,0]=4 3126 B9R0.42 C#CC(C)SC(C)C(=O)N 62a_200000035995_100000702099 [0,2,0,0,0,0|2,0,0]=4 3127 B9R0.42 C#C[C@@H](C)OC(C)C(=O)C 7a_100009815206_100000179758 [0,2,0,0,0,0|2,0,0]=4 3128 B9R0.42 C#C[C@@H](C)OC(C)C(=O)N 34a_100009815206_100000702099 [0,2,0,0,0,0|2,0,0]=4 3129 B9R0.42 C#C[C@@H](C)OC(C)C(=O)N 7a_100009815206_100000702099 [0,2,0,0,0,0|2,0,0]=4 3130 B9R0.42 C=C(C)C(C)NC(C)CC 269862a_100000209981_100011216138 [0,2,0,0,0,0|2,0,0]=4 3131 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [0,2,0,0,0,0|1,0,0]=3 3132 B9R0.42 C=CC(C)OC(C)C(=O)N 34a_100000695699_100000702099 [0,2,0,0,0,0|2,0,0]=4 3133 B9R0.42 C=CC(C)SC(C)C(=O)C 62a_100011215867_100009814033 [0,2,0,0,0,0|2,0,0]=4 3134 B9R0.42 C=CC(C)SC(C)C(=O)N 62a_100011215867_100000702099 [0,2,0,0,0,0|2,0,0]=4 3135 B9R0.42 CC(=O)C(C)NC(C)C#N 2230a_100000737613_100009814033 [0,2,0,0,0,0|2,0,0]=4 3136 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,2,0,0,0,0|2,0,0]=4 3137 B9R0.42 CC(=O)C(C)OC(C)CF 7a_100016041109_100000179758 [0,2,0,0,0,0|2,0,0]=4 3138 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,2,0,0,0,0|2,0,0]=4 3139 B9R0.42 CC(=O)C(C)SC(C)C#N 62a_100000703298_100009814033 [0,2,0,0,0,0|2,0,0]=4 3140 B9R0.42 CC(=O)C(C)SC(C)C#N 62a_100009814033_100000703298 [0,2,0,0,0,0|2,0,0]=4 3141 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,2,0,0,0,0|2,0,0]=4 3142 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,2,0,0,0,0|2,0,0]=4 3143 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,2,0,0,0,0|2,0,0]=4 3144 B9R0.42 CC(=O)N(C)CC(O)CO 240690a_100011216503_100015343762 [0,2,0,0,0,0|2,0,0]=4 3145 B9R0.42 CC(=O)N(C)CC(O)CO 527a_100011216503_100103153847 [0,2,0,0,0,0|2,0,0]=4 3146 B9R0.42 CC(C#N)NC(C)C(=O)N 2230a_100000737613_100000702099 [0,2,0,0,0,0|2,0,0]=4 3147 B9R0.42 CC(C#N)N[C@@H](C)C(=O)O 269956a_100000743915_100000184139 [0,2,0,0,0,0|1,0,0]=3 3148 B9R0.42 CC(C#N)N[C@H](C)C(=O)N 2230a_100000119354_100000184139 [0,2,0,0,0,0|2,0,0]=4 3149 B9R0.42 CC(C#N)OC(C)C(=O)N 34a_100011218135_100000702099 [0,2,0,0,0,0|2,0,0]=4 3150 B9R0.42 CC(C#N)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000703298 [0,2,0,0,0,0|1,0,1]=4 3151 B9R0.42 CC(C#N)O[C@H](C)C(=O)N 7a_100000731257_100000703298 [0,2,0,0,0,0|2,0,0]=4 3152 B9R0.42 CC(C#N)SC(C)C(=O)N 62a_100000702099_100000703298 [0,2,0,0,0,0|2,0,0]=4 3153 B9R0.42 CC(C#N)SC(C)C(=O)N 62a_100000703298_100000702099 [0,2,0,0,0,0|2,0,0]=4 3154 B9R0.42 CC(CF)OC(C)C(=O)N 34a_100016041109_100000702099 [0,2,0,0,0,0|2,0,0]=4 3155 B9R0.42 CC(CF)OC(C)C(=O)N 7a_100016041109_100000702099 [0,2,0,0,0,0|2,0,0]=4 3156 B9R0.42 CC(CN)OC(C)C(=O)N 34a_100000210904_100000702099 [0,2,0,0,0,0|2,0,0]=4 3157 B9R0.42 CC(CO)N[C@H](C)C(=O)N 2230a_100000119354_100012180447 [0,2,0,0,0,0|2,0,0]=4 3158 B9R0.42 CC(CO)N[C@H](C)C(=O)N 34a_100000119354_100012180447 [0,2,0,0,0,0|2,0,0]=4 3159 B9R0.42 CC(CO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100012180447 [0,2,0,0,0,0|1,0,1]=4 3160 B9R0.42 CC(CO)O[C@H](C)C(=O)N 34a_100000731257_100012180447 [0,2,0,0,0,0|2,0,0]=4 3161 B9R0.42 CC(CO)O[C@H](C)C(=O)N 7a_100000731257_100012180447 [0,2,0,0,0,0|2,0,0]=4 3162 B9R0.42 CC(CO)SC(C)C(=O)N 62a_100012180447_100000702099 [0,2,0,0,0,0|2,0,0]=4 3163 B9R0.42 CC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000702099 [0,2,0,0,0,0|2,0,0]=4 3164 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100000702099_100016084084 [0,2,0,0,0,0|2,0,0]=4 3165 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000702099 [0,2,0,0,0,0|2,0,0]=4 3166 B9R0.42 CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210202 [0,2,0,0,0,0|2,0,0]=4 3167 B9R0.42 CCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210202 [0,2,0,0,0,0|2,0,0]=4 3168 B9R0.42 CCC(=O)NC(C)C(=O)C 1458a_100000194823_200000210301 [0,2,0,0,0,0|1,0,1]=4 3169 B9R0.42 CCC(=O)NC(C)C(=O)[13CH3] 1458a_100000194823_200025704644 [0,2,0,0,0,0|1,0,1]=4 3170 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210414 [0,2,0,0,0,0|1,0,1]=4 3171 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210414 [0,2,0,0,0,0|1,0,1]=4 3172 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210414 [0,2,0,0,0,0|1,0,1]=4 3173 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,2,0,0,0,0|2,0,0]=4 3174 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,2,0,0,0,0|2,0,0]=4 3175 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,2,0,0,0,0|2,0,0]=4 3176 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,2,0,0,0,0|2,0,0]=4 3177 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,2,0,0,0,0|1,0,0]=3 3178 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,2,0,0,0,0|1,0,0]=3 3179 B9R0.42 CCC(C)NC(F)C(=O)N 2230a_100000209981_100009813875 [0,2,0,0,0,0|2,0,0]=4 3180 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,2,0,0,0,0|0,0,0]=2 3181 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,2,0,0,0,0|1,0,0]=3 3182 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,2,0,0,0,0|1,0,0]=3 3183 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,2,0,0,0,0|1,0,0]=3 3184 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,2,0,0,0,0|1,0,0]=3 3185 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [0,2,0,0,0,0|1,0,0]=3 3186 B9R0.42 CCC(C)OC(F)C(=O)N 7a_100000210228_100009813875 [0,2,0,0,0,0|2,0,0]=4 3187 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [0,2,0,0,0,0|0,0,1]=3 3188 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [0,2,0,0,0,0|1,0,0]=3 3189 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [0,2,0,0,0,0|1,0,0]=3 3190 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,2,0,0,0,0|1,0,0]=3 3191 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,2,0,0,0,0|1,0,0]=3 3192 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,2,0,0,0,0|1,0,0]=3 3193 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,2,0,0,0,0|1,0,0]=3 3194 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100000758301_100009813875 [0,2,0,0,0,0|2,0,0]=4 3195 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100009813875_100000758301 [0,2,0,0,0,0|2,0,0]=4 3196 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100000758301_100020610796 [0,2,0,0,0,0|1,0,1]=4 3197 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000758301 [0,2,0,0,0,0|1,0,1]=4 3198 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,2,0,0,0,0|1,0,0]=3 3199 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,2,0,0,0,0|1,0,0]=3 3200 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,2,0,0,0,0|1,0,1]=4 3201 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,2,0,0,0,0|1,0,1]=4 3202 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,2,0,0,0,0|1,0,0]=3 3203 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009814033_100009879195 [0,2,0,0,0,0|2,0,0]=4 3204 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009879195_100009814033 [0,2,0,0,0,0|2,0,0]=4 3205 B9R0.42 COC(C)SC(C)C(=O)N 62a_100000702099_100009879195 [0,2,0,0,0,0|2,0,0]=4 3206 B9R0.42 COC(C)SC(C)C(=O)N 62a_100009879195_100000702099 [0,2,0,0,0,0|2,0,0]=4 3207 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,2,0,0,0,0|1,0,0]=3 3208 B9R0.47 C#CCCNC(C)C(=O)N 34a_100000755551_100000702099 [0,2,0,0,0,0|1,0,1]=4 3209 B9R0.47 C#CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000688953 [0,2,0,0,0,0|0,0,1]=3 3210 B9R0.47 C#CCCN[C@H](C)C(=O)N 2230a_100000119354_100000688953 [0,2,0,0,0,0|1,0,1]=4 3211 B9R0.47 C#CCCN[C@H](C)C(=O)N 34a_100000119354_100000688953 [0,2,0,0,0,0|1,0,1]=4 3212 B9R0.47 C#CCCOC(C)C(=O)C 34a_100000212229_100000688953 [0,2,0,0,0,0|1,0,1]=4 3213 B9R0.47 C#CCCOC(C)C(=O)N 34a_100011215631_100000702099 [0,2,0,0,0,0|1,0,1]=4 3214 B9R0.47 C#CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000688953 [0,2,0,0,0,0|0,0,2]=4 3215 B9R0.47 C#CCCO[C@H](C)C(=O)N 34a_100000731257_100000688953 [0,2,0,0,0,0|1,0,1]=4 3216 B9R0.47 C#CCCO[C@H](C)C(=O)N 7a_100000731257_100000688953 [0,2,0,0,0,0|1,0,1]=4 3217 B9R0.47 C#CCCSC(C)C(=O)C 62a_100000688953_100009814033 [0,2,0,0,0,0|1,0,1]=4 3218 B9R0.47 C#CCCSC(C)C(=O)C 62a_100009814033_100000688953 [0,2,0,0,0,0|1,0,1]=4 3219 B9R0.47 C#CCCSC(C)C(=O)N 62a_100000688953_100000702099 [0,2,0,0,0,0|1,0,1]=4 3220 B9R0.47 C#CCCSC(C)C(=O)N 62a_100000702099_100000688953 [0,2,0,0,0,0|1,0,1]=4 3221 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [0,2,0,0,0,0|0,0,1]=3 3222 B9R0.47 C#CCNCC(F)C(=O)O 269956a_100000084737_100000184674 [0,2,0,0,0,0|1,0,1]=4 3223 B9R0.47 C#CCOCC(C)C(=O)C 34a_100000032740_100000184674 [0,2,0,0,0,0|1,0,1]=4 3224 B9R0.47 C#CCOCC(C)C(=O)C 7a_100000032740_100000038162 [0,2,0,0,0,0|1,0,1]=4 3225 B9R0.47 C/C=C/CN[C@@H](C)C(=O)O 269956a_100000743915_100102629194 [0,2,0,0,0,0|0,0,1]=3 3226 B9R0.47 C/C=C/CN[C@H](C)C(=O)N 34a_100000119354_100102629194 [0,2,0,0,0,0|1,0,1]=4 3227 B9R0.47 C/C=C/COC(C)C(=O)C 34a_100000212229_100102629194 [0,2,0,0,0,0|1,0,1]=4 3228 B9R0.47 C/C=C/COC(C)C(=O)N 34a_100016270725_100000702099 [0,2,0,0,0,0|1,0,1]=4 3229 B9R0.47 C/C=C/CO[C@@H](C)C(=O)[O-] 7a_217856618621_100102629194 [0,2,0,0,0,0|0,0,2]=4 3230 B9R0.47 C/C=C/CO[C@H](C)C(=O)N 34a_100000731257_100102629194 [0,2,0,0,0,0|1,0,1]=4 3231 B9R0.47 C/C=C/CO[C@H](C)C(=O)N 7a_100000731257_100102629194 [0,2,0,0,0,0|1,0,1]=4 3232 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100009814033_100102629194 [0,2,0,0,0,0|1,0,1]=4 3233 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100102629194_100009814033 [0,2,0,0,0,0|1,0,1]=4 3234 B9R0.47 C/C=C/CSC(C)C(=O)N 62a_100000702099_100102629194 [0,2,0,0,0,0|1,0,1]=4 3235 B9R0.47 C/C=C/CSC(C)C(=O)N 62a_100102629194_100000702099 [0,2,0,0,0,0|1,0,1]=4 3236 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [0,2,0,0,0,0|2,0,0]=4 3237 B9R0.47 C=C(C)C(C)NCCCF 269862a_100015189416_100011216138 [0,2,0,0,0,0|2,0,0]=4 3238 B9R0.47 C=C(C)C(C)NCCCO 269862a_100000182051_100011216138 [0,2,0,0,0,0|2,0,0]=4 3239 B9R0.47 C=C(C)C(C)NCCOC 269862a_100000209980_100011216138 [0,2,0,0,0,0|2,0,0]=4 3240 B9R0.47 C=C(C)C(C)NCCSC 269862a_100020590264_100011216138 [0,2,0,0,0,0|2,0,0]=4 3241 B9R0.47 C=CCCNC(C)C(=O)C 2230a_100015191253_100009814033 [0,2,0,0,0,0|1,0,1]=4 3242 B9R0.47 C=CCCNC(C)C(=O)N 2230a_100015191253_100000702099 [0,2,0,0,0,0|1,0,1]=4 3243 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,2,0,0,0,0|0,0,1]=3 3244 B9R0.47 C=CCCN[C@H](C)C(=O)N 2230a_100000119354_100000754431 [0,2,0,0,0,0|1,0,1]=4 3245 B9R0.47 C=CCCN[C@H](C)C(=O)N 34a_100000119354_100000754431 [0,2,0,0,0,0|1,0,1]=4 3246 B9R0.47 C=CCCOC(C)C(=O)C 34a_100000212229_100000754431 [0,2,0,0,0,0|1,0,1]=4 3247 B9R0.47 C=CCCOC(C)C(=O)N 34a_100011205117_100000702099 [0,2,0,0,0,0|1,0,1]=4 3248 B9R0.47 C=CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000754431 [0,2,0,0,0,0|0,0,2]=4 3249 B9R0.47 C=CCCO[C@H](C)C(=O)N 34a_100000731257_100000754431 [0,2,0,0,0,0|1,0,1]=4 3250 B9R0.47 C=CCCO[C@H](C)C(=O)N 7a_100000731257_100000754431 [0,2,0,0,0,0|1,0,1]=4 3251 B9R0.47 C=CCCSC(C)C(=O)C 62a_100000754431_100009814033 [0,2,0,0,0,0|1,0,1]=4 3252 B9R0.47 C=CCCSC(C)C(=O)C 62a_100009814033_100000754431 [0,2,0,0,0,0|1,0,1]=4 3253 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000702099_100000754431 [0,2,0,0,0,0|1,0,1]=4 3254 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000754431_100000702099 [0,2,0,0,0,0|1,0,1]=4 3255 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,2,0,0,0,0|0,0,1]=3 3256 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,2,0,0,0,0|1,0,1]=4 3257 B9R0.47 C=CCOCC(C)C(=O)C 34a_100000032740_100015514636 [0,2,0,0,0,0|1,0,1]=4 3258 B9R0.47 C=CCOCC(C)C(=O)C 7a_100000032740_100015514636 [0,2,0,0,0,0|1,0,1]=4 3259 B9R0.47 CC#CCNC(C)C(=O)C 2230a_100000685387_100009814033 [0,2,0,0,0,0|1,0,1]=4 3260 B9R0.47 CC#CCNC(C)C(=O)N 2230a_100000685387_100000702099 [0,2,0,0,0,0|1,0,1]=4 3261 B9R0.47 CC#CCNC(C)C(=O)N 34a_100000685387_100000702099 [0,2,0,0,0,0|1,0,1]=4 3262 B9R0.47 CC#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000748600 [0,2,0,0,0,0|0,0,1]=3 3263 B9R0.47 CC#CCN[C@H](C)C(=O)N 2230a_100000119354_100000748600 [0,2,0,0,0,0|1,0,1]=4 3264 B9R0.47 CC#CCN[C@H](C)C(=O)N 34a_100000119354_100000748600 [0,2,0,0,0,0|1,0,1]=4 3265 B9R0.47 CC#CCOC(C)C(=O)C 34a_100000212229_100000748600 [0,2,0,0,0,0|1,0,1]=4 3266 B9R0.47 CC#CCOC(C)C(=O)N 34a_100000761923_100000702099 [0,2,0,0,0,0|1,0,1]=4 3267 B9R0.47 CC#CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748600 [0,2,0,0,0,0|0,0,2]=4 3268 B9R0.47 CC#CCO[C@H](C)C(=O)N 34a_100000731257_100000748600 [0,2,0,0,0,0|1,0,1]=4 3269 B9R0.47 CC#CCO[C@H](C)C(=O)N 7a_100000731257_100000748600 [0,2,0,0,0,0|1,0,1]=4 3270 B9R0.47 CC#CCSC(C)C(=O)C 62a_100000748600_100009814033 [0,2,0,0,0,0|1,0,1]=4 3271 B9R0.47 CC#CCSC(C)C(=O)C 62a_100009814033_100000748600 [0,2,0,0,0,0|1,0,1]=4 3272 B9R0.47 CC#CCSC(C)C(=O)N 62a_100000702099_100000748600 [0,2,0,0,0,0|1,0,1]=4 3273 B9R0.47 CC#CCSC(C)C(=O)N 62a_100000748600_100000702099 [0,2,0,0,0,0|1,0,1]=4 3274 B9R0.47 CC(=O)C(C)COCC#N 7a_100000032740_100011215382 [0,2,0,0,0,0|1,0,1]=4 3275 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [0,2,0,0,0,0|1,0,1]=4 3276 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [0,2,0,0,0,0|1,0,1]=4 3277 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,2,0,0,0,0|1,0,0]=3 3278 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,2,0,0,0,0|1,0,0]=3 3279 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,2,0,0,0,0|1,0,0]=3 3280 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,2,0,0,0,0|1,0,0]=3 3281 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,2,0,0,0,0|1,0,0]=3 3282 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,2,0,0,0,0|1,0,0]=3 3283 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,2,0,0,0,0|1,0,0]=3 3284 B9R0.47 CC(=O)C(C)SCCC#N 62a_100009814033_100011215226 [0,2,0,0,0,0|1,0,1]=4 3285 B9R0.47 CC(=O)C(C)SCCC#N 62a_100011215226_100009814033 [0,2,0,0,0,0|1,0,1]=4 3286 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,2,0,0,0,0|1,0,0]=3 3287 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,2,0,0,0,0|1,0,0]=3 3288 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,2,0,0,0,0|1,0,0]=3 3289 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,2,0,0,0,0|1,0,0]=3 3290 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,2,0,0,0,0|2,0,0]=4 3291 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [0,2,0,0,0,0|0,0,1]=3 3292 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,2,0,0,0,0|0,0,1]=3 3293 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,2,0,0,0,0|0,0,0]=2 3294 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,2,0,0,0,0|0,0,0]=2 3295 B9R0.47 CC(COCCF)[N+](=O)[O-] 34a_100000039676_100011217306 [0,2,0,0,0,0|1,0,1]=4 3296 B9R0.47 CC(COCCF)[N+](=O)[O-] 7a_100000039676_100011217306 [0,2,0,0,0,0|1,0,1]=4 3297 B9R0.47 CC(COCCO)[N+](=O)[O-] 34a_100000039676_100000211926 [0,2,0,0,0,0|1,0,1]=4 3298 B9R0.47 CC(COCCO)[N+](=O)[O-] 7a_100000039676_100000211926 [0,2,0,0,0,0|1,0,1]=4 3299 B9R0.47 CC(NCCCF)C(=O)N 2230a_100015189416_100000702099 [0,2,0,0,0,0|1,0,0]=3 3300 B9R0.47 CC(NCCCF)C(=O)N 34a_100015189416_100000702099 [0,2,0,0,0,0|1,0,0]=3 3301 B9R0.47 CC(OCCCBr)C(=O)N 34a_100011217188_100000702099 [0,2,0,0,0,0|1,0,0]=3 3302 B9R0.47 CC(OCCCCl)C(=O)N 34a_100000230001_100000702099 [0,2,0,0,0,0|1,0,0]=3 3303 B9R0.47 CC(OCCCF)C(=O)N 34a_100000759539_100000702099 [0,2,0,0,0,0|1,0,0]=3 3304 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [0,2,0,0,0,0|1,0,0]=3 3305 B9R0.47 CC(OCCON)C(=O)N 34a_100000700252_100000702099 [0,2,0,0,0,0|2,0,0]=4 3306 B9R0.47 CC(SCCC#N)C(=O)N 62a_100000702099_100011215226 [0,2,0,0,0,0|1,0,1]=4 3307 B9R0.47 CC(SCCC#N)C(=O)N 62a_100011215226_100000702099 [0,2,0,0,0,0|1,0,1]=4 3308 B9R0.47 CC(SCCCF)C(=O)N 62a_100000702099_100011934791 [0,2,0,0,0,0|1,0,0]=3 3309 B9R0.47 CC(SCCCF)C(=O)N 62a_100011934791_100000702099 [0,2,0,0,0,0|1,0,0]=3 3310 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [0,2,0,0,0,0|1,0,0]=3 3311 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [0,2,0,0,0,0|1,0,0]=3 3312 B9R0.47 CC=CCN[C@H](C)C(=O)N 2230a_100000119354_100000070051 [0,2,0,0,0,0|1,0,1]=4 3313 B9R0.47 CC=CCN[C@H](C)C(=O)N 34a_100000119354_100000070051 [0,2,0,0,0,0|1,0,1]=4 3314 B9R0.47 CC=CCOC(C)C(=O)C 34a_100000212229_100000070051 [0,2,0,0,0,0|1,0,1]=4 3315 B9R0.47 CC=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000070051 [0,2,0,0,0,0|0,0,2]=4 3316 B9R0.47 CC=CCO[C@H](C)C(=O)N 34a_100000731257_100000070051 [0,2,0,0,0,0|1,0,1]=4 3317 B9R0.47 CC=CCO[C@H](C)C(=O)N 7a_100000731257_100000070051 [0,2,0,0,0,0|1,0,1]=4 3318 B9R0.47 CC=CCSC(C)C(=O)C 62a_100000070051_100009814033 [0,2,0,0,0,0|1,0,1]=4 3319 B9R0.47 CC=CCSC(C)C(=O)C 62a_100009814033_100000070051 [0,2,0,0,0,0|1,0,1]=4 3320 B9R0.47 CC=CCSC(C)C(=O)N 62a_100000070051_100000702099 [0,2,0,0,0,0|1,0,1]=4 3321 B9R0.47 CC=CCSC(C)C(=O)N 62a_100000702099_100000070051 [0,2,0,0,0,0|1,0,1]=4 3322 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,2,0,0,0,0|1,0,0]=3 3323 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,2,0,0,0,0|1,0,0]=3 3324 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,2,0,0,0,0|1,0,0]=3 3325 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,2,0,0,0,0|2,0,0]=4 3326 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,2,0,0,0,0|2,0,0]=4 3327 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,2,0,0,0,0|2,0,0]=4 3328 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,2,0,0,0,0|2,0,0]=4 3329 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,2,0,0,0,0|1,0,0]=3 3330 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,2,0,0,0,0|1,0,0]=3 3331 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,2,0,0,0,0|1,0,0]=3 3332 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,2,0,0,0,0|1,0,0]=3 3333 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,2,0,0,0,0|2,0,0]=4 3334 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,2,0,0,0,0|2,0,0]=4 3335 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,2,0,0,0,0|0,0,0]=2 3336 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,2,0,0,0,0|1,0,0]=3 3337 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,2,0,0,0,0|1,0,0]=3 3338 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,2,0,0,0,0|1,0,0]=3 3339 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,2,0,0,0,0|1,0,0]=3 3340 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,2,0,0,0,0|1,0,0]=3 3341 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,2,0,0,0,0|1,0,0]=3 3342 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,2,0,0,0,0|2,0,0]=4 3343 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,2,0,0,0,0|2,0,0]=4 3344 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,2,0,0,0,0|1,0,1]=4 3345 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,2,0,0,0,0|0,0,1]=3 3346 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,2,0,0,0,0|1,0,0]=3 3347 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,2,0,0,0,0|1,0,0]=3 3348 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,2,0,0,0,0|1,0,0]=3 3349 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,2,0,0,0,0|1,0,0]=3 3350 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,2,0,0,0,0|1,0,0]=3 3351 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,2,0,0,0,0|1,0,0]=3 3352 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,2,0,0,0,0|1,0,0]=3 3353 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,2,0,0,0,0|1,0,0]=3 3354 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,2,0,0,0,0|2,0,0]=4 3355 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,2,0,0,0,0|2,0,0]=4 3356 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,2,0,0,0,0|1,0,1]=4 3357 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,2,0,0,0,0|1,0,1]=4 3358 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,2,0,0,0,0|0,0,0]=2 3359 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,2,0,0,0,0|1,0,0]=3 3360 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,2,0,0,0,0|1,0,0]=3 3361 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,2,0,0,0,0|1,0,0]=3 3362 B9R0.47 CCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210303 [0,2,0,0,0,0|1,0,1]=4 3363 B9R0.47 CCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210303 [0,2,0,0,0,0|1,0,1]=4 3364 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,2,0,0,0,0|2,0,0]=4 3365 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,2,0,0,0,0|0,0,0]=2 3366 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [0,2,0,0,0,0|1,0,0]=3 3367 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [0,2,0,0,0,0|1,0,0]=3 3368 B9R0.47 CCOCSC(C)C(=O)N 62a_100000702099_100000739092 [0,2,0,0,0,0|1,0,0]=3 3369 B9R0.47 CCOCSC(C)C(=O)N 62a_100000739092_100000702099 [0,2,0,0,0,0|1,0,0]=3 3370 B9R0.47 CCOCSC(F)C(=O)N 62a_100000739092_100009813875 [0,2,0,0,0,0|2,0,0]=4 3371 B9R0.47 CCOCSC(F)C(=O)N 62a_100009813875_100000739092 [0,2,0,0,0,0|2,0,0]=4 3372 B9R0.47 CCOCSC(F)C(=O)[O-] 62a_100000739092_100020610796 [0,2,0,0,0,0|1,0,1]=4 3373 B9R0.47 CCOCSC(F)C(=O)[O-] 62a_100020610796_100000739092 [0,2,0,0,0,0|1,0,1]=4 3374 B9R0.47 COCCCN(C)C(=O)C 11a_100000224831_100015343762 [0,2,0,0,0,0|2,0,0]=4 3375 B9R0.47 COCCCN(C)C(=O)C 1626a_100000224831_100015343762 [0,2,0,0,0,0|2,0,0]=4 3376 B9R0.47 COCCCN(C)C(=O)C 240690a_100000224831_100015343762 [0,2,0,0,0,0|2,0,0]=4 3377 B9R0.47 COCCCN(C)C(=O)C 527a_100000224831_100103153847 [0,2,0,0,0,0|2,0,0]=4 3378 B9R0.47 COCCNC(C)C(=O)C 2230a_100000209980_100009814033 [0,2,0,0,0,0|1,0,0]=3 3379 B9R0.47 COCCNC(C)C(=O)N 2230a_100000209980_100000702099 [0,2,0,0,0,0|1,0,0]=3 3380 B9R0.47 COCCNC(F)C(=O)N 2230a_100000209980_100009813875 [0,2,0,0,0,0|2,0,0]=4 3381 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,2,0,0,0,0|0,0,0]=2 3382 B9R0.47 COCCN[C@H](C)C(=O)N 2230a_100000119354_100011201679 [0,2,0,0,0,0|1,0,0]=3 3383 B9R0.47 COCCN[C@H](C)C(=O)N 34a_100000119354_100011201679 [0,2,0,0,0,0|1,0,0]=3 3384 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [0,2,0,0,0,0|1,0,0]=3 3385 B9R0.47 COCCOC(C)C(=O)N 34a_100000210237_100000702099 [0,2,0,0,0,0|1,0,0]=3 3386 B9R0.47 COCCOC(F)C(=O)N 34a_100000210237_100009813875 [0,2,0,0,0,0|2,0,0]=4 3387 B9R0.47 COCCOC(F)C(=O)[O-] 34a_100000210237_100020610796 [0,2,0,0,0,0|1,0,1]=4 3388 B9R0.47 COCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000233755 [0,2,0,0,0,0|0,0,1]=3 3389 B9R0.47 COCCO[C@H](C)C(=O)N 34a_100000731257_100011201679 [0,2,0,0,0,0|1,0,0]=3 3390 B9R0.47 COCCO[C@H](C)C(=O)N 7a_100000731257_100000233755 [0,2,0,0,0,0|1,0,0]=3 3391 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [0,2,0,0,0,0|1,0,0]=3 3392 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [0,2,0,0,0,0|1,0,0]=3 3393 B9R0.47 COCCSC(C)C(=O)N 62a_100000233755_100000702099 [0,2,0,0,0,0|1,0,0]=3 3394 B9R0.47 COCCSC(C)C(=O)N 62a_100000702099_100000233755 [0,2,0,0,0,0|1,0,0]=3 3395 B9R0.47 COCCSC(F)C(=O)N 62a_100000233755_100009813875 [0,2,0,0,0,0|2,0,0]=4 3396 B9R0.47 COCCSC(F)C(=O)N 62a_100009813875_100000233755 [0,2,0,0,0,0|2,0,0]=4 3397 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100000233755_100020610796 [0,2,0,0,0,0|1,0,1]=4 3398 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100020610796_100000233755 [0,2,0,0,0,0|1,0,1]=4 3399 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,2,0,0,0,0|0,0,0]=2 3400 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,2,0,0,0,0|1,0,0]=3 3401 B9R0.47 CSCCNC(C)C(=O)C 2230a_100020590264_100009814033 [0,2,0,0,0,0|1,0,0]=3 3402 B9R0.47 CSCCNC(C)C(=O)N 2230a_100020590264_100000702099 [0,2,0,0,0,0|1,0,0]=3 3403 B9R0.47 CSCCNC(F)C(=O)N 2230a_100020590264_100009813875 [0,2,0,0,0,0|2,0,0]=4 3404 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,2,0,0,0,0|0,0,0]=2 3405 B9R0.47 CSCCN[C@H](C)C(=O)N 2230a_100000119354_100000751147 [0,2,0,0,0,0|1,0,0]=3 3406 B9R0.47 CSCCN[C@H](C)C(=O)N 34a_100000119354_100000212216 [0,2,0,0,0,0|1,0,0]=3 3407 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [0,2,0,0,0,0|1,0,0]=3 3408 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [0,2,0,0,0,0|1,0,0]=3 3409 B9R0.47 CSCCOC(C)C(=O)N 34a_100000230434_100000702099 [0,2,0,0,0,0|1,0,0]=3 3410 B9R0.47 CSCCOC(C)C(=O)N 7a_100000230434_100000702099 [0,2,0,0,0,0|1,0,0]=3 3411 B9R0.47 CSCCOC(F)C(=O)N 34a_100000230434_100009813875 [0,2,0,0,0,0|2,0,0]=4 3412 B9R0.47 CSCCOC(F)C(=O)N 7a_100000230434_100009813875 [0,2,0,0,0,0|2,0,0]=4 3413 B9R0.47 CSCCOC(F)C(=O)[O-] 34a_100000230434_100020610796 [0,2,0,0,0,0|1,0,1]=4 3414 B9R0.47 CSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000212216 [0,2,0,0,0,0|0,0,1]=3 3415 B9R0.47 CSCCO[C@H](C)C(=O)N 34a_100000731257_100000212216 [0,2,0,0,0,0|1,0,0]=3 3416 B9R0.47 CSCCO[C@H](C)C(=O)N 7a_100000731257_100000212216 [0,2,0,0,0,0|1,0,0]=3 3417 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [0,2,0,0,0,0|1,0,0]=3 3418 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [0,2,0,0,0,0|1,0,0]=3 3419 B9R0.47 CSCCSC(C)C(=O)N 62a_100000212216_100000702099 [0,2,0,0,0,0|1,0,0]=3 3420 B9R0.47 CSCCSC(C)C(=O)N 62a_100000702099_100000751147 [0,2,0,0,0,0|1,0,0]=3 3421 B9R0.47 CSCCSC(F)C(=O)N 62a_100000212216_100009813875 [0,2,0,0,0,0|2,0,0]=4 3422 B9R0.47 CSCCSC(F)C(=O)N 62a_100009813875_100000751147 [0,2,0,0,0,0|2,0,0]=4 3423 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100000212216_100020610796 [0,2,0,0,0,0|1,0,1]=4 3424 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100020610796_100000751147 [0,2,0,0,0,0|1,0,1]=4 3425 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,2,0,0,0,0|0,0,0]=2 3426 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,2,0,0,0,0|1,0,0]=3 3427 B9R0.47 CSCOCC(C)C(=O)C 34a_100000032740_100011218213 [0,2,0,0,0,0|1,0,0]=3 3428 B9R0.47 CSCOCC(C)[N+](=O)[O-] 34a_100000039676_100011218213 [0,2,0,0,0,0|1,0,1]=4 3429 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,2,0,0,0,0|2,0,0]=4 3430 B9R0.47 C[C@@H](NCCC#N)C(=O)N 2230a_100000119354_100011215226 [0,2,0,0,0,0|1,0,1]=4 3431 B9R0.47 C[C@@H](NCCCF)C(=O)N 2230a_100000119354_100011934791 [0,2,0,0,0,0|1,0,0]=3 3432 B9R0.47 C[C@@H](NCCCF)C(=O)N 34a_100000119354_100011934791 [0,2,0,0,0,0|1,0,0]=3 3433 B9R0.47 C[C@@H](NCCCO)C(=O)N 2230a_100000119354_100000230001 [0,2,0,0,0,0|1,0,0]=3 3434 B9R0.47 C[C@@H](NCCCO)C(=O)N 34a_100000119354_100000230001 [0,2,0,0,0,0|1,0,0]=3 3435 B9R0.47 C[C@@H](OCCC#N)C(=O)N 7a_100000731257_100000184422 [0,2,0,0,0,0|1,0,1]=4 3436 B9R0.47 C[C@@H](OCCCF)C(=O)N 34a_100000731257_100011934791 [0,2,0,0,0,0|1,0,0]=3 3437 B9R0.47 C[C@@H](OCCCF)C(=O)N 7a_100000731257_100011934791 [0,2,0,0,0,0|1,0,0]=3 3438 B9R0.47 C[C@@H](OCCCO)C(=O)N 34a_100000731257_100000230001 [0,2,0,0,0,0|1,0,0]=3 3439 B9R0.47 C[C@@H](OCCCO)C(=O)N 7a_100000731257_100011215043 [0,2,0,0,0,0|1,0,0]=3 3440 B9R0.47 C[C@H](NCCC#N)C(=O)O 269956a_100000743915_100011215226 [0,2,0,0,0,0|0,0,1]=3 3441 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,2,0,0,0,0|0,0,0]=2 3442 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,2,0,0,0,0|0,0,0]=2 3443 B9R0.47 C[C@H](NCSC#N)C(=O)O 269956a_100000743915_100000211825 [0,2,0,0,0,0|1,0,1]=4 3444 B9R0.47 C[C@H](OCCC#N)C(=O)[O-] 7a_217856618621_100000184422 [0,2,0,0,0,0|0,0,2]=4 3445 B9R0.47 C[C@H](OCCCF)C(=O)[O-] 7a_217856618621_100011934791 [0,2,0,0,0,0|0,0,1]=3 3446 B9R0.47 C[C@H](OCCCO)C(=O)[O-] 7a_217856618621_100011215043 [0,2,0,0,0,0|0,0,1]=3 3447 B9R0.47 N#CCNCC(F)C(=O)O 269956a_100000084737_100011215382 [0,2,0,0,0,0|1,0,1]=4 3448 B9R0.47 NC(=O)C(F)NCCCF 2230a_100015189416_100009813875 [0,2,0,0,0,0|2,0,0]=4 3449 B9R0.47 NC(=O)C(F)NCCCF 34a_100015189416_100009813875 [0,2,0,0,0,0|2,0,0]=4 3450 B9R0.47 NC(=O)C(F)OCCCBr 34a_100011217188_100009813875 [0,2,0,0,0,0|2,0,0]=4 3451 B9R0.47 NC(=O)C(F)OCCCCl 34a_100000230001_100009813875 [0,2,0,0,0,0|2,0,0]=4 3452 B9R0.47 NC(=O)C(F)OCCCF 34a_100000759539_100009813875 [0,2,0,0,0,0|2,0,0]=4 3453 B9R0.47 NC(=O)C(F)SCCCF 62a_100009813875_100011934791 [0,2,0,0,0,0|2,0,0]=4 3454 B9R0.47 NC(=O)C(F)SCCCF 62a_100011934791_100009813875 [0,2,0,0,0,0|2,0,0]=4 3455 B9R0.47 NC(=O)C(F)SCCCO 62a_100009813875_100011215043 [0,2,0,0,0,0|2,0,0]=4 3456 B9R0.47 NC(=O)C(F)SCCCO 62a_100011215043_100009813875 [0,2,0,0,0,0|2,0,0]=4 3457 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,2,0,0,0,0|2,0,0]=4 3458 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,2,0,0,0,0|2,0,0]=4 3459 B9R0.47 NCCCOC(F)C(=O)N 34a_100000182051_100009813875 [0,2,0,0,0,0|2,0,0]=4 3460 B9R0.47 NCCCOC(F)C(=O)[O-] 34a_100000182051_100020610796 [0,2,0,0,0,0|1,0,1]=4 3461 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,2,0,0,0,0|1,0,0]=3 3462 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,2,0,0,0,0|1,0,0]=3 3463 B9R0.47 O=C([O-])C(F)NCCCF 34a_100015189416_100020610796 [0,2,0,0,0,0|1,0,1]=4 3464 B9R0.47 O=C([O-])C(F)OCCCBr 34a_100011217188_100020610796 [0,2,0,0,0,0|1,0,1]=4 3465 B9R0.47 O=C([O-])C(F)OCCCCl 34a_100000230001_100020610796 [0,2,0,0,0,0|1,0,1]=4 3466 B9R0.47 O=C([O-])C(F)OCCCF 34a_100000759539_100020610796 [0,2,0,0,0,0|1,0,1]=4 3467 B9R0.47 O=C([O-])C(F)SCCCF 62a_100011934791_100020610796 [0,2,0,0,0,0|1,0,1]=4 3468 B9R0.47 O=C([O-])C(F)SCCCF 62a_100020610796_100011934791 [0,2,0,0,0,0|1,0,1]=4 3469 B9R0.47 O=C([O-])C(F)SCCCO 62a_100011215043_100020610796 [0,2,0,0,0,0|1,0,1]=4 3470 B9R0.47 O=C([O-])C(F)SCCCO 62a_100020610796_100011215043 [0,2,0,0,0,0|1,0,1]=4 3471 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,2,0,0,0,0|1,0,1]=4 3472 B9R0.51 CC(=O)C(C)(C)OCCF 34a_100000747739_100011217306 [0,2,0,0,0,0|2,0,0]=4 3473 B9R0.51 CC(=O)C(C)(C)OCCF 7a_100000747739_100011217306 [0,2,0,0,0,0|2,0,0]=4 3474 B9R0.51 CC(=O)C(C)(C)OCCO 34a_100000747739_100000211926 [0,2,0,0,0,0|2,0,0]=4 3475 B9R0.51 CC(=O)C(C)(C)OCCO 7a_100000747739_100000211926 [0,2,0,0,0,0|2,0,0]=4 3476 B9R0.51 CC(=O)C(C)(C)SCCF 62a_100000075568_100011217306 [0,2,0,0,0,0|2,0,0]=4 3477 B9R0.51 CC(=O)C(C)(C)SCCF 62a_100011217306_100000075568 [0,2,0,0,0,0|2,0,0]=4 3478 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000075568_100000211926 [0,2,0,0,0,0|2,0,0]=4 3479 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000211926_100000075568 [0,2,0,0,0,0|2,0,0]=4 3480 B9R0.51 CC(C)(CNCF)C(=O)N 34a_100000740840_100015361967 [0,2,0,0,0,0|2,0,0]=4 3481 B9R0.51 CC(C)(CNCF)C(=O)O 269956a_100000693527_100015361967 [0,2,0,0,0,0|1,0,0]=3 3482 B9R0.51 CC(C)(CSCF)C(=O)N 62a_100015361967_200009895572 [0,2,0,0,0,0|2,0,0]=4 3483 B9R0.51 CC(C)(CSCF)C(=O)N 62a_200009895572_100015361967 [0,2,0,0,0,0|2,0,0]=4 3484 B9R0.51 CC(C)(NCCF)C(=O)N 2230a_100000743658_100011217306 [0,2,0,0,0,0|2,0,0]=4 3485 B9R0.51 CC(C)(NCCF)C(=O)N 34a_100000724931_100000702505 [0,2,0,0,0,0|2,0,0]=4 3486 B9R0.51 CC(C)(NCCF)C(=O)N 34a_100000743658_100011217306 [0,2,0,0,0,0|2,0,0]=4 3487 B9R0.51 CC(C)(NCCO)C(=O)N 2230a_100000743658_100000211926 [0,2,0,0,0,0|2,0,0]=4 3488 B9R0.51 CC(C)(NCCO)C(=O)N 2230a_100016997473_100000702505 [0,2,0,0,0,0|2,0,0]=4 3489 B9R0.51 CC(C)(NCCO)C(=O)N 34a_100000743658_100000211926 [0,2,0,0,0,0|2,0,0]=4 3490 B9R0.51 CC(C)(NCCO)C(=O)N 34a_100016990907_100000702505 [0,2,0,0,0,0|2,0,0]=4 3491 B9R0.51 CC(C)(OCCBr)C(=O)N 34a_100000211926_100000702505 [0,2,0,0,0,0|2,0,0]=4 3492 B9R0.51 CC(C)(OCCF)C(=O)N 34a_100011626353_100011217306 [0,2,0,0,0,0|2,0,0]=4 3493 B9R0.51 CC(C)(OCCF)C(=O)N 7a_100011626353_100011217306 [0,2,0,0,0,0|2,0,0]=4 3494 B9R0.51 CC(C)(OCCN)C(=O)N 34a_100000210304_100000702505 [0,2,0,0,0,0|2,0,0]=4 3495 B9R0.51 CC(C)(OCCO)C(=O)N 34a_100011626353_100000211926 [0,2,0,0,0,0|2,0,0]=4 3496 B9R0.51 CC(C)(OCCO)C(=O)N 7a_100011626353_100000211926 [0,2,0,0,0,0|2,0,0]=4 3497 B9R0.51 CC(C)(ONCF)C(=O)O 269956a_100016989451_100015361967 [0,2,0,0,0,0|2,0,0]=4 3498 B9R0.51 CC(C)(SCCF)C(=O)N 62a_100000702505_100011217306 [0,2,0,0,0,0|2,0,0]=4 3499 B9R0.51 CC(C)(SCCF)C(=O)N 62a_100011217306_100000702505 [0,2,0,0,0,0|2,0,0]=4 3500 B9R0.51 CC(C)(SCCO)C(=O)N 62a_100000211926_100000702505 [0,2,0,0,0,0|2,0,0]=4 3501 B9R0.51 CC(C)(SCCO)C(=O)N 62a_100000702505_100000211926 [0,2,0,0,0,0|2,0,0]=4 3502 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [0,2,0,0,0,0|1,0,0]=3 3503 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [0,2,0,0,0,0|1,0,0]=3 3504 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [0,2,0,0,0,0|1,0,0]=3 3505 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [0,2,0,0,0,0|1,0,0]=3 3506 B9R0.51 CCCCC(F)(F)C(=O)C 1458a_100000100317_200000210301 [0,2,0,0,0,0|2,0,0]=4 3507 B9R0.51 CCCCC(F)(F)C(=O)[13CH3] 1458a_100000100317_200025704644 [0,2,0,0,0,0|2,0,0]=4 3508 B9R0.51 CCCNC(C)(C)C(=O)N 2230a_100000743658_100000210303 [0,2,0,0,0,0|1,0,0]=3 3509 B9R0.51 CCCNC(C)(C)C(=O)N 34a_100000743658_100000210303 [0,2,0,0,0,0|1,0,0]=3 3510 B9R0.51 CCCOC(C)(C)C(=O)C 34a_100000747739_100000210303 [0,2,0,0,0,0|1,0,0]=3 3511 B9R0.51 CCCOC(C)(C)C(=O)C 7a_100000747739_100000210303 [0,2,0,0,0,0|1,0,0]=3 3512 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100000210258_100000702505 [0,2,0,0,0,0|1,0,0]=3 3513 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100011626353_100000210303 [0,2,0,0,0,0|1,0,0]=3 3514 B9R0.51 CCCOC(C)(C)C(=O)N 7a_100011626353_100000210303 [0,2,0,0,0,0|1,0,0]=3 3515 B9R0.51 CCCOC(F)(F)C(=O)[O-] 34a_100000210258_100020612412 [0,2,0,0,0,0|1,0,1]=4 3516 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000075568_100000210303 [0,2,0,0,0,0|1,0,0]=3 3517 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000210303_100000075568 [0,2,0,0,0,0|1,0,0]=3 3518 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000210303_100000702505 [0,2,0,0,0,0|1,0,0]=3 3519 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000702505_100000210303 [0,2,0,0,0,0|1,0,0]=3 3520 B9R0.51 CCCSC(C)(C)[N+](=O)[O-] 62a_100000210303_200009813997 [0,2,0,0,0,0|1,0,1]=4 3521 B9R0.51 CCCSC(C)(C)[N+](=O)[O-] 62a_200009813997_100000210303 [0,2,0,0,0,0|1,0,1]=4 3522 B9R0.51 CCCSC(F)(F)C(=O)N 62a_100000210303_100009811971 [0,2,0,0,0,0|2,0,0]=4 3523 B9R0.51 CCCSC(F)(F)C(=O)N 62a_100009811971_100000210303 [0,2,0,0,0,0|2,0,0]=4 3524 B9R0.51 CCCSC(F)(F)C(=O)[O-] 62a_100000210303_100000745680 [0,2,0,0,0,0|1,0,1]=4 3525 B9R0.51 CCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210303 [0,2,0,0,0,0|1,0,1]=4 3526 B9R0.51 CCNCC(C)(C)C(=O)N 2230a_100000740840_100000210202 [0,2,0,0,0,0|1,0,0]=3 3527 B9R0.51 CCNCC(C)(C)C(=O)N 34a_100000740840_100000210202 [0,2,0,0,0,0|1,0,0]=3 3528 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [0,2,0,0,0,0|0,0,0]=2 3529 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [0,2,0,0,0,0|1,0,0]=3 3530 B9R0.51 CCNOC(C)(C)C(=O)O 269956a_100016989451_100000210202 [0,2,0,0,0,0|1,0,0]=3 3531 B9R0.51 CCOCC(C)(C)C(=O)N 34a_100121572206_200009895572 [0,2,0,0,0,0|1,0,0]=3 3532 B9R0.51 CCOCC(C)(C)[N+](=O)[O-] 34a_100000032158_100000210202 [0,2,0,0,0,0|1,0,1]=4 3533 B9R0.51 CCOCC(C)(C)[N+](=O)[O-] 7a_100000032158_100000210202 [0,2,0,0,0,0|1,0,1]=4 3534 B9R0.51 CCSCC(C)(C)C(=O)N 62a_100000210202_200009895572 [0,2,0,0,0,0|1,0,0]=3 3535 B9R0.51 CCSCC(C)(C)C(=O)N 62a_200009895572_100000210202 [0,2,0,0,0,0|1,0,0]=3 3536 B9R0.51 COCNC(C)(C)C(=O)N 2230a_100000743658_100000766300 [0,2,0,0,0,0|2,0,0]=4 3537 B9R0.51 COCSC(C)(C)C(=O)C 62a_100000075568_100000766300 [0,2,0,0,0,0|2,0,0]=4 3538 B9R0.51 COCSC(C)(C)C(=O)C 62a_100000766300_100000075568 [0,2,0,0,0,0|2,0,0]=4 3539 B9R0.51 COCSC(C)(C)C(=O)N 62a_100000702505_100000766300 [0,2,0,0,0,0|2,0,0]=4 3540 B9R0.51 COCSC(C)(C)C(=O)N 62a_100000766300_100000702505 [0,2,0,0,0,0|2,0,0]=4 3541 B9R0.51 CSCNC(C)(C)C(=O)N 2230a_100000743658_100011218213 [0,2,0,0,0,0|2,0,0]=4 3542 B9R0.51 CSCNC(C)(C)C(=O)N 34a_100000743658_100011218213 [0,2,0,0,0,0|2,0,0]=4 3543 B9R0.51 CSCOC(C)(C)C(=O)C 34a_100000747739_100011218213 [0,2,0,0,0,0|2,0,0]=4 3544 B9R0.51 CSCOC(C)(C)C(=O)N 34a_100011626353_100011218213 [0,2,0,0,0,0|2,0,0]=4 3545 B9R0.51 CSCSC(C)(C)C(=O)C 62a_100000075568_100011218213 [0,2,0,0,0,0|2,0,0]=4 3546 B9R0.51 CSCSC(C)(C)C(=O)C 62a_100011218213_100000075568 [0,2,0,0,0,0|2,0,0]=4 3547 B9R0.51 CSCSC(C)(C)C(=O)N 62a_100000702505_100011218213 [0,2,0,0,0,0|2,0,0]=4 3548 B9R0.51 CSCSC(C)(C)C(=O)N 62a_100011218213_100000702505 [0,2,0,0,0,0|2,0,0]=4 3549 B9R0.51 O=C(O)C(F)(F)CNCF 269956a_100000734215_100015361967 [0,2,0,0,0,0|2,0,0]=4 3550 B9R0.11 CC(=O)C(C)(C)OC(C)C 34a_100000747739_100000210206 [0,2,0,0,0,0|2,0,0]=4 3551 B9R0.11 CC(=O)C(C)(C)OC(C)C 7a_100000747739_100000210206 [0,2,0,0,0,0|2,0,0]=4 3552 B9R0.11 CC(=O)C(C)(C)SC(C)C 62a_100000075568_100000210206 [0,2,0,0,0,0|2,0,0]=4 3553 B9R0.11 CC(=O)C(C)(C)SC(C)C 62a_100000210206_100000075568 [0,2,0,0,0,0|2,0,0]=4 3554 B9R0.11 CC(=O)C(C)(O)CC(C)C 1458a_100011434877_200000210301 [0,2,0,0,0,0|1,0,0]=3 3555 B9R0.11 CC(C)CC(C)(O)C(=O)[13CH3] 1458a_100011434877_200025704644 [0,2,0,0,0,0|1,0,0]=3 3556 B9R0.11 CC(C)NC(C)(C)C(=O)N 2230a_100000743658_100000210206 [0,2,0,0,0,0|2,0,0]=4 3557 B9R0.11 CC(C)NC(C)(C)C(=O)N 2230a_100138425928_100000702505 [0,2,0,0,0,0|2,0,0]=4 3558 B9R0.11 CC(C)NC(C)(C)C(=O)N 34a_100000743658_100000210206 [0,2,0,0,0,0|2,0,0]=4 3559 B9R0.11 CC(C)NC(C)(C)C(=O)N 34a_100138425928_100000702505 [0,2,0,0,0,0|2,0,0]=4 3560 B9R0.11 CC(C)OC(C)(C)C(=O)N 34a_100000212225_100000702505 [0,2,0,0,0,0|2,0,0]=4 3561 B9R0.11 CC(C)OC(C)(C)C(=O)N 34a_100011626353_100000210206 [0,2,0,0,0,0|2,0,0]=4 3562 B9R0.11 CC(C)OC(C)(C)C(=O)N 7a_100011626353_100000210206 [0,2,0,0,0,0|2,0,0]=4 3563 B9R0.11 CC(C)SC(C)(C)C(=O)N 62a_100000210206_100000702505 [0,2,0,0,0,0|2,0,0]=4 3564 B9R0.11 CC(C)SC(C)(C)C(=O)N 62a_100000702505_100000210206 [0,2,0,0,0,0|2,0,0]=4 3565 B9R0.11 CN(C)CC(C)(C)C(=O)N 269982a_100102631434_200009895572 [0,2,0,0,0,0|2,0,0]=4 3566 B9R0.74 CCC(C)(NCF)C(=O)O 269956a_100025756313_100015361967 [0,2,0,0,0,0|2,0,0]=4 3567 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_100000070787_200000040151 [0,2,0,0,0,0|1,0,0]=3 3568 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_200000724995_200000210301 [0,2,0,0,0,0|1,0,0]=3 3569 B9R0.74 CCCC(C)(CC)C(=O)[13CH3] 1458a_200000724995_200025704644 [0,2,0,0,0,0|1,0,0]=3 3570 B9R0.74 CCNC(C)(CC)C(=O)O 269956a_100025756313_100000210202 [0,2,0,0,0,0|1,0,0]=3 3571 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [0,2,0,0,0,0|1,0,0]=3 3572 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [0,2,0,0,0,0|1,0,0]=3 3573 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [0,2,0,0,0,0|1,0,0]=3 3574 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [0,2,0,0,0,0|1,0,0]=3 3575 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [0,2,0,0,0,0|1,0,0]=3 3576 B9R0.15 CCCC(OCF)C(=O)N 34a_100011626294_100015361967 [0,2,0,0,0,0|1,0,0]=3 3577 B9R0.15 CCCC(OCF)C(=O)N 7a_100011626294_100015361967 [0,2,0,0,0,0|1,0,0]=3 3578 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [0,2,0,0,0,0|2,0,0]=4 3579 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [0,2,0,0,0,0|2,0,0]=4 3580 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [0,2,0,0,0,0|2,0,0]=4 3581 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [0,2,0,0,0,0|2,0,0]=4 3582 B9R0.15 CCCN(CCO)C(=O)C 240690a_100000211420_100015343762 [0,2,0,0,0,0|2,0,0]=4 3583 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [0,2,0,0,0,0|1,0,0]=3 3584 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [0,2,0,0,0,0|1,0,0]=3 3585 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [0,2,0,0,0,0|0,0,0]=2 3586 B9R0.15 CCC[C@H](NCF)C(=O)N 34a_100000729256_100015361967 [0,2,0,0,0,0|1,0,0]=3 3587 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [0,2,0,0,0,0|0,0,0]=2 3588 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [0,2,0,0,0,0|1,0,0]=3 3589 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [0,2,0,0,0,0|1,0,0]=3 3590 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [0,2,0,0,0,0|1,0,0]=3 3591 B9R0.15 CCOC(OCC)C(=O)C 1458a_100000082760_200000210301 [0,2,0,0,0,0|2,0,0]=4 3592 B9R0.15 CCOC(OCC)C(=O)[13CH3] 1458a_100000082760_200025704644 [0,2,0,0,0,0|2,0,0]=4 3593 B9R0.15 COC[C@@H](NCF)C(=O)O 269956a_100011998655_100015361967 [0,2,0,0,0,0|1,0,0]=3 3594 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [0,2,0,0,0,0|1,0,0]=3 3595 B9R0.15 C[Se]C[C@H](NCF)C(=O)O 269956a_100015254316_100015361967 [0,2,0,0,0,0|1,0,0]=3 3596 B9R0.33 CC(C)[C@@H](NCF)C(=O)O 269956a_100000745019_100015361967 [0,2,0,0,0,0|2,0,0]=4 3597 B9R0.33 CC(O)C(NCF)C(=O)O 269956a_100000185852_100015361967 [0,2,0,0,0,0|2,0,0]=4 3598 B9R0.33 CCCN(C(=O)C)C(C)C 11a_106256033942_100015343762 [0,2,0,0,0,0|2,0,0]=4 3599 B9R0.33 CCCN(C(=O)C)C(C)C 1626a_106256033942_100015343762 [0,2,0,0,0,0|2,0,0]=4 3600 B9R0.33 CCCN(C(=O)C)C(C)C 240690a_106256033942_100015343762 [0,2,0,0,0,0|2,0,0]=4 3601 B9R0.33 CCCN(C(=O)C)C(C)C 527a_106256033942_100103153847 [0,2,0,0,0,0|2,0,0]=4 3602 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [0,2,0,0,0,0|1,0,0]=3 3603 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [0,2,0,0,0,0|1,0,0]=3 3604 B9R0.33 CCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210202 [0,2,0,0,0,0|2,0,0]=4 3605 B9R0.33 CCOC(C(=O)N)C(C)C 34a_100121572206_100000230017 [0,2,0,0,0,0|2,0,0]=4 3606 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210202_100000210371 [0,2,0,0,0,0|2,0,0]=4 3607 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210371_100000210202 [0,2,0,0,0,0|2,0,0]=4 3608 B9R0.33 CCSC(C(=O)C)C(C)C 1458a_100000750736_200000210301 [0,2,0,0,0,0|2,0,0]=4 3609 B9R0.33 CCSC(C(=O)N)C(C)C 62a_100000210202_100000230017 [0,2,0,0,0,0|2,0,0]=4 3610 B9R0.33 CCSC(C(=O)N)C(C)C 62a_100000230017_100000210202 [0,2,0,0,0,0|2,0,0]=4 3611 B9R0.33 CCSC(C(=O)[13CH3])C(C)C 1458a_100000750736_200025704644 [0,2,0,0,0,0|2,0,0]=4 3612 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [0,2,0,0,0,0|1,0,1]=4 3613 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 3614 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 3615 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,2,0,0,0,0|1,0,0]=3 3616 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100000210206 [0,2,0,0,0,0|2,0,0]=4 3617 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 34a_100000729942_100000210206 [0,2,0,0,0,0|2,0,0]=4 3618 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100000733705_100000210206 [0,2,0,0,0,0|2,0,0]=4 3619 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100138425928_100000750255 [0,2,0,0,0,0|2,0,0]=4 3620 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100000733705_100000210206 [0,2,0,0,0,0|2,0,0]=4 3621 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100138425928_100000750255 [0,2,0,0,0,0|2,0,0]=4 3622 B9R0.39 CCC(OC(C)C)C(=O)N 34a_100000212225_100000750255 [0,2,0,0,0,0|2,0,0]=4 3623 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000210206_100000750255 [0,2,0,0,0,0|2,0,0]=4 3624 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000750255_100000210206 [0,2,0,0,0,0|2,0,0]=4 3625 B9R0.39 CCN(CC(C)C)C(=O)C 11a_100000738554_100015343762 [0,2,0,0,0,0|2,0,0]=4 3626 B9R0.39 CCN(CC(C)C)C(=O)C 1626a_100000738554_100015343762 [0,2,0,0,0,0|2,0,0]=4 3627 B9R0.39 CCN(CC(C)C)C(=O)C 240690a_100000738554_100015343762 [0,2,0,0,0,0|2,0,0]=4 3628 B9R0.39 CCN(CC(C)C)C(=O)C 527a_100000738554_100103153847 [0,2,0,0,0,0|2,0,0]=4 3629 B9R0.39 CCN(C[C@H](C)O)C(=O)C 240690a_100000729506_100015343762 [0,2,0,0,0,0|2,0,0]=4 3630 B9R0.39 CCN(C[C@H](C)O)C(=O)C 527a_100000729506_100103153847 [0,2,0,0,0,0|2,0,0]=4 3631 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,2,0,0,0,0|1,0,0]=3 3632 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [0,2,0,0,0,0|1,0,0]=3 3633 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [0,2,0,0,0,0|1,0,0]=3 3634 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,2,0,0,0,0|1,0,0]=3 3635 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 3636 B9R0.57 CC(=O)C(C)CC(F)(F)F 1458a_100000070787_200000065471 [0,2,0,0,0,0|2,0,0]=4 3637 B9R0.57 CC(=O)C(C)CC(F)(F)F 1458a_100011216114_200000210301 [0,2,0,0,0,0|2,0,0]=4 3638 B9R0.57 CC(=O)C(C)NC(C)(C)C 2230a_100000715429_100009814033 [0,2,0,0,0,0|2,0,0]=4 3639 B9R0.57 CC(=O)C(C)OC(C)(C)C 34a_100000212229_100000210625 [0,2,0,0,0,0|2,0,0]=4 3640 B9R0.57 CC(=O)C(C)OC(C)(C)C 7a_100015890283_100000179758 [0,2,0,0,0,0|2,0,0]=4 3641 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100000211941_100009814033 [0,2,0,0,0,0|2,0,0]=4 3642 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100009814033_100000211941 [0,2,0,0,0,0|2,0,0]=4 3643 B9R0.57 CC(=O)N(C)CC(C)(C)C 11a_100000742839_100015343762 [0,2,0,0,0,0|2,0,0]=4 3644 B9R0.57 CC(=O)N(C)CC(C)(C)C 1626a_100000742839_100015343762 [0,2,0,0,0,0|2,0,0]=4 3645 B9R0.57 CC(=O)N(C)CC(C)(C)C 240690a_100000742839_100015343762 [0,2,0,0,0,0|2,0,0]=4 3646 B9R0.57 CC(=O)N(C)CC(C)(C)C 527a_100000742839_100103153847 [0,2,0,0,0,0|2,0,0]=4 3647 B9R0.57 CC(=O)N(C)CC(C)(C)O 1626a_100000755907_100015343762 [0,2,0,0,0,0|2,0,0]=4 3648 B9R0.57 CC(=O)N(C)CC(C)(C)O 240690a_100000755907_100015343762 [0,2,0,0,0,0|2,0,0]=4 3649 B9R0.57 CC(=O)N(C)CC(C)(C)O 527a_100000755907_100103153847 [0,2,0,0,0,0|2,0,0]=4 3650 B9R0.57 CC(CC(F)(F)F)C(=O)[13CH3] 1458a_100011216114_200025704644 [0,2,0,0,0,0|2,0,0]=4 3651 B9R0.57 CC(NC(C)(C)C)C(=O)N 2230a_100000715429_100000702099 [0,2,0,0,0,0|2,0,0]=4 3652 B9R0.57 CC(OC(C)(C)C)C(=O)N 34a_100015890283_100000702099 [0,2,0,0,0,0|2,0,0]=4 3653 B9R0.57 CC(OC(C)(C)C)C(=O)N 7a_100015890283_100000702099 [0,2,0,0,0,0|2,0,0]=4 3654 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000211941_100000702099 [0,2,0,0,0,0|2,0,0]=4 3655 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000702099_100000211941 [0,2,0,0,0,0|2,0,0]=4 3656 B9R0.57 C[C@@H](NC(C)(C)C)C(=O)N 34a_100000119354_100000210625 [0,2,0,0,0,0|2,0,0]=4 3657 B9R0.57 C[C@@H](OC(C)(C)C)C(=O)N 34a_100000731257_100000210625 [0,2,0,0,0,0|2,0,0]=4 3658 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,2,0,0,0,0|1,0,0]=3 3659 B9R0.57 C[C@H](NC(F)(F)F)C(=O)O 269956a_100000743915_200000243211 [0,2,0,0,0,0|2,0,0]=4 3660 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [1,0,0,1,0,0|2,0,0]=4 3661 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [1,0,0,1,0,0|2,0,0]=4 3662 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [1,0,0,1,0,0|2,0,0]=4 3663 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [1,0,0,1,0,0|2,0,0]=4 3664 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [1,0,0,1,0,0|2,0,0]=4 3665 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [1,0,0,1,0,0|2,0,0]=4 3666 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,0,0,1,0,0|2,0,0]=4 3667 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,0,0,1,0,0|2,0,0]=4 3668 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,0,0,1,0,0|2,0,0]=4 3669 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [1,0,0,1,0,0|2,0,0]=4 3670 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [1,0,0,1,0,0|2,0,0]=4 3671 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [1,0,0,1,0,0|2,0,0]=4 3672 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [1,0,0,1,0,0|2,0,0]=4 3673 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,0,0,1,0,0|2,0,0]=4 3674 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,0,0,1,0,0|2,0,0]=4 3675 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [1,0,0,1,0,0|2,0,0]=4 3676 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [1,0,0,1,0,0|2,0,0]=4 3677 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [1,0,0,1,0,0|1,0,1]=4 3678 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [1,0,0,1,0,0|1,0,1]=4 3679 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [1,0,0,1,0,0|1,0,1]=4 3680 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [1,0,0,1,0,0|1,0,1]=4 3681 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [1,0,0,1,0,0|1,0,1]=4 3682 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [1,0,0,1,0,0|1,0,1]=4 3683 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 3684 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 3685 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 3686 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 3687 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 3688 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 3689 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [1,0,0,1,0,0|2,0,0]=4 3690 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [1,0,0,1,0,0|2,0,0]=4 3691 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [1,0,0,1,0,0|2,0,0]=4 3692 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [1,0,0,1,0,0|2,0,0]=4 3693 B7R1.6 CCNC1COC1 2230a_100016991112_100000210202 [1,0,0,1,0,0|1,0,1]=4 3694 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [1,0,0,1,0,0|1,0,1]=4 3695 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [1,0,0,1,0,0|1,0,1]=4 3696 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [1,0,0,1,0,0|1,0,1]=4 3697 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [1,0,0,1,0,0|1,0,1]=4 3698 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [1,0,0,1,0,0|1,0,1]=4 3699 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [1,0,0,1,0,0|1,0,1]=4 3700 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [1,0,0,1,0,0|1,0,1]=4 3701 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [1,0,0,1,0,0|1,0,1]=4 3702 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [1,0,0,1,0,0|1,0,1]=4 3703 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [1,0,0,1,0,0|1,0,1]=4 3704 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [1,0,0,1,0,0|1,0,1]=4 3705 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [1,0,0,1,0,0|1,0,1]=4 3706 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [1,0,0,1,0,0|1,0,1]=4 3707 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [1,0,0,1,0,0|1,0,1]=4 3708 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [1,0,0,1,0,0|1,0,1]=4 3709 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [1,0,0,1,0,0|1,0,1]=4 3710 B7R1.10 CN1CC(C1)CO 269982a_100016987283_200000210301 [1,0,0,1,0,0|1,0,1]=4 3711 B7R1.10 CN1CC(C1)CO 34a_100016987283_200000210301 [1,0,0,1,0,0|1,0,1]=4 3712 B7R1.10 [13CH3]N1CC(C1)CO 269982a_100016987283_200025704644 [1,0,0,1,0,0|1,0,1]=4 3713 B7R1.10 [13CH3]N1CC(C1)CO 34a_100016987283_200025704644 [1,0,0,1,0,0|1,0,1]=4 3714 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [1,0,0,1,0,0|1,0,1]=4 3715 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [1,0,0,1,0,0|1,0,1]=4 3716 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [1,0,0,1,0,0|1,0,1]=4 3717 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [1,0,0,1,0,0|1,0,1]=4 3718 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [1,0,0,1,0,0|1,0,1]=4 3719 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [1,0,0,1,0,0|1,0,1]=4 3720 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [1,0,0,1,0,0|2,0,0]=4 3721 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [1,0,0,1,0,0|2,0,0]=4 3722 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [1,0,0,1,0,0|2,0,0]=4 3723 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [1,0,0,1,0,0|2,0,0]=4 3724 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [1,0,0,1,0,0|2,0,0]=4 3725 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [1,0,0,1,0,0|2,0,0]=4 3726 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [1,0,0,1,0,0|2,0,0]=4 3727 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [1,0,0,1,0,0|2,0,0]=4 3728 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [1,0,0,1,0,0|2,0,0]=4 3729 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [1,0,0,1,0,0|2,0,0]=4 3730 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [1,0,0,1,0,0|2,0,0]=4 3731 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [1,0,0,1,0,0|2,0,0]=4 3732 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [1,0,0,1,0,0|2,0,0]=4 3733 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [1,0,0,1,0,0|2,0,0]=4 3734 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [1,0,0,1,0,0|2,0,0]=4 3735 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [1,0,0,1,0,0|2,0,0]=4 3736 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [1,0,0,1,0,0|2,0,0]=4 3737 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|1,0,0]=3 3738 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,0,0,1,0,0|2,0,0]=4 3739 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|1,0,0]=3 3740 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,0,0,1,0,0|2,0,0]=4 3741 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|1,0,0]=3 3742 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|1,0,0]=3 3743 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|2,0,0]=4 3744 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,1,0,0|2,0,0]=4 3745 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,1,0,0|2,0,0]=4 3746 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 3747 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 3748 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,1,0,0|2,0,0]=4 3749 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|1,0,0]=3 3750 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|2,0,0]=4 3751 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,1,0,0|2,0,0]=4 3752 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [1,0,0,1,0,0|1,0,0]=3 3753 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [1,0,0,1,0,0|2,0,0]=4 3754 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [1,0,0,1,0,0|2,0,0]=4 3755 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [1,0,0,1,0,0|1,0,0]=3 3756 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [1,0,0,1,0,0|2,0,0]=4 3757 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [1,0,0,1,0,0|2,0,0]=4 3758 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|1,0,0]=3 3759 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|1,0,0]=3 3760 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|2,0,0]=4 3761 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|2,0,0]=4 3762 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|2,0,0]=4 3763 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 3764 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 3765 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|2,0,0]=4 3766 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|1,0,0]=3 3767 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,0,0,1,0,1|2,0,0]=4 3768 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,0,0,1,0,1|2,0,0]=4 3769 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,1,0,1|2,0,0]=4 3770 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,0,0,1,0,1|2,0,0]=4 3771 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,0,0,1,0,1|1,0,0]=3 3772 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,0,0,1,0,1|1,0,0]=3 3773 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [0,0,0,1,0,1|1,0,1]=4 3774 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,0,0,1,0,1|2,0,0]=4 3775 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,0,0,1,0,1|2,0,0]=4 3776 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,0,0,1,0,1|2,0,0]=4 3777 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,0,0,1,0,1|2,0,0]=4 3778 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,0,0,1,0,1|2,0,0]=4 3779 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,0,0,1,0,1|1,0,0]=3 3780 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,0,0,1,0,1|2,0,0]=4 3781 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,0,0,1,0,1|2,0,0]=4 3782 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,0,0,1,0,1|2,0,0]=4 3783 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,0,0,1,0,1|2,0,0]=4 3784 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,0,0,1,0,1|1,0,0]=3 3785 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,0,0,1,0,1|1,0,0]=3 3786 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,0,0,1,0,1|1,0,0]=3 3787 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,0,0,1,0,1|1,0,1]=4 3788 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,0,0,1,0,1|2,0,0]=4 3789 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,0,0,1,0,1|2,0,0]=4 3790 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,0,0,1,0,1|2,0,0]=4 3791 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,0,0,1,0,1|2,0,0]=4 3792 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,0,0,1,0,1|1,0,0]=3 3793 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,0,0,1,0,1|1,0,0]=3 3794 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,0,0,1,0,1|1,0,1]=4 3795 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,0,0,1,0,1|1,0,1]=4 3796 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,0,0,1,0,1|2,0,0]=4 3797 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,0,0,1,0,1|2,0,0]=4 3798 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,0,0,1,0,1|1,0,0]=3 3799 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,0,0,1,0,1|1,0,0]=3 3800 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,0,0,1,0,1|2,0,0]=4 3801 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,0,0,1,0,1|2,0,0]=4 3802 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,0,0,1,0,1|1,0,0]=3 3803 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,0,0,1,0,1|1,0,0]=3 3804 B9R1.7 O=C1OCC(O1)SCF 62a_100015361967_100000032252 [0,0,0,1,0,1|2,0,0]=4 3805 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,0,0,1,0,1|2,0,0]=4 3806 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,0,0,1,0,1|2,0,0]=4 3807 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,0,0,1,0,1|2,0,0]=4 3808 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,0,0,1,0,1|2,0,0]=4 3809 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,0,0,1,0,1|2,0,0]=4 3810 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,0,0,1,0,1|2,0,0]=4 3811 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,0,0,1,0,1|2,0,0]=4 3812 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,0,0,1,0,1|1,0,1]=4 3813 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,0,0,1,0,1|1,0,1]=4 3814 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,0,0,1,0,1|2,0,0]=4 3815 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,0,0,1,0,1|2,0,0]=4 3816 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,0,0,1,0,1|1,0,0]=3 3817 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,0,0,1,0,1|1,0,0]=3 3818 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,0,0,1,0,1|2,0,0]=4 3819 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,0,0,1,0,1|2,0,0]=4 3820 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,0,0,1,0,1|1,0,0]=3 3821 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,0,0,1,0,1|1,0,0]=3 3822 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,0,0,1,0,1|1,0,1]=4 3823 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,1,0,1|1,0,0]=3 3824 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,1,0,1|1,0,0]=3 3825 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,1,0,1|2,0,0]=4 3826 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,0,0,1,0,1|2,0,0]=4 3827 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,0,0,1,0,1|2,0,0]=4 3828 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,1,0,1|2,0,0]=4 3829 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,1,0,1|1,0,0]=3 3830 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,1,0,1|1,0,0]=3 3831 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,1,0,1|1,0,0]=3 3832 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,1,0,1|1,0,0]=3 3833 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [0,0,0,1,0,1|2,0,0]=4 3834 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [0,0,0,1,0,1|2,0,0]=4 3835 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [0,0,0,1,0,1|2,0,0]=4 3836 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [0,0,0,1,0,1|2,0,0]=4 3837 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [0,0,0,1,0,1|2,0,0]=4 3838 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [0,0,0,1,0,1|2,0,0]=4 3839 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,0,0,1,0,1|2,0,0]=4 3840 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,0,0,1,0,1|2,0,0]=4 3841 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,0,0,1,0,1|1,0,1]=4 3842 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,0,0,1,0,1|1,0,1]=4 3843 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,1,0,1|1,0,0]=3 3844 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,0,0,1,0,1|2,0,0]=4 3845 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,1,0,1|2,0,0]=4 3846 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,0,1,0,1|1,0,0]=3 3847 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,0,0,1,0,1|1,0,0]=3 3848 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,0,0,1,0,1|1,0,0]=3 3849 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,0,0,1,0,1|1,0,0]=3 3850 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,0,0,1,0,1|1,0,0]=3 3851 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,0,0,1,0,1|1,0,0]=3 3852 B9R1.41 CC(=O)N1CCSC1C 11a_200011216479_100015343762 [0,0,0,1,0,1|2,0,0]=4 3853 B9R1.41 CC(=O)N1CCSC1C 1626a_200011216479_100015343762 [0,0,0,1,0,1|2,0,0]=4 3854 B9R1.41 CC(=O)N1CCSC1C 240690a_200011216479_100015343762 [0,0,0,1,0,1|2,0,0]=4 3855 B9R1.41 CC(=O)N1CCSC1C 527a_200011216479_100103153847 [0,0,0,1,0,1|2,0,0]=4 3856 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,0,0,1,0,1|2,0,0]=4 3857 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,0,1,0,1|1,0,0]=3 3858 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [0,0,0,1,0,1|2,0,0]=4 3859 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,0,0,1,0,1|1,0,0]=3 3860 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,0,0,1,0,1|2,0,0]=4 3861 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,0,0,1,0,1|2,0,0]=4 3862 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,0,0,1,0,1|2,0,0]=4 3863 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [0,0,0,1,0,1|2,0,0]=4 3864 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,0,0,1,0,1|1,0,0]=3 3865 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,0,0,1,0,1|2,0,0]=4 3866 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,0,0,1,0,1|2,0,0]=4 3867 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,1,0,1|2,0,0]=4 3868 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,1,0,1|2,0,0]=4 3869 B9R1.53 CC(=O)NC1CC(C1)F 11a_100016993743_100015343762 [0,0,0,1,0,1|2,0,0]=4 3870 B9R1.53 CC(=O)NC1CC(C1)F 1626a_100016993743_100015343762 [0,0,0,1,0,1|2,0,0]=4 3871 B9R1.53 CC(=O)NC1CC(C1)F 240690a_100016993743_100015343762 [0,0,0,1,0,1|2,0,0]=4 3872 B9R1.53 CC(=O)NC1CC(C1)F 527a_100016993743_100103153847 [0,0,0,1,0,1|2,0,0]=4 3873 B9R1.53 CC(=O)NC1CN(C1)C 240690a_100015196640_100015343762 [0,0,0,1,0,1|2,0,0]=4 3874 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100015343762 [0,0,0,1,0,1|2,0,0]=4 3875 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100015343762 [0,0,0,1,0,1|2,0,0]=4 3876 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100015343762 [0,0,0,1,0,1|2,0,0]=4 3877 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100103153847 [0,0,0,1,0,1|2,0,0]=4 3878 B9R1.53 CC(=O)OC1CN(C1)C 269982a_100016994906_200000210301 [0,0,0,1,0,1|2,0,0]=4 3879 B9R1.53 CC(=O)OC1CN(C1)[13CH3] 269982a_100016994906_200025704644 [0,0,0,1,0,1|2,0,0]=4 3880 B9R1.53 CC1CN(C1)CC(=O)N 2230a_100000702820_100000747473 [0,0,0,1,0,1|2,0,0]=4 3881 B9R1.53 CC1CN(C1)CC(=O)N 269982a_100000702820_100000187820 [0,0,0,1,0,1|2,0,0]=4 3882 B9R1.53 CC1CN(C1)CC(=O)N 34a_100000702820_100000187820 [0,0,0,1,0,1|2,0,0]=4 3883 B9R1.53 CC1CN(C1)CC(=O)[O-] 269982a_100000702820_100020667443 [0,0,0,1,0,1|1,0,1]=4 3884 B9R1.53 CC1CN(C1)CC(=O)[O-] 34a_100000702820_100020667443 [0,0,0,1,0,1|1,0,1]=4 3885 B9R1.53 CN1CC(C1)CC(=O)O 269956a_100016993960_200000210301 [0,0,0,1,0,1|1,0,0]=3 3886 B9R1.53 [13CH3]N1CC(C1)CC(=O)O 269956a_100016993960_200025704644 [0,0,0,1,0,1|1,0,0]=3 3887 B9R1.137 CC(=CC(=O)[13CH3])C1CC1 1458a_100000742917_200025704644 [0,0,0,1,0,1|1,0,1]=4 3888 B9R1.137 CC(=O)C=C(C)C1CC1 1458a_100000742917_200000210301 [0,0,0,1,0,1|1,0,1]=4 3889 B9R1.137 CC(=O)NC(C)C1CC1 11a_100000700016_100015343762 [0,0,0,1,0,1|1,0,0]=3 3890 B9R1.137 CC(=O)NC(C)C1CC1 1626a_100000700016_100015343762 [0,0,0,1,0,1|1,0,0]=3 3891 B9R1.137 CC(=O)NC(C)C1CC1 240690a_100000700016_100015343762 [0,0,0,1,0,1|1,0,0]=3 3892 B9R1.137 CC(=O)NC(C)C1CC1 527a_100000700016_100103153847 [0,0,0,1,0,1|1,0,0]=3 3893 B9R1.137 CN(CC(=O)N)C1CC1 2230a_100000226674_100000747473 [0,0,0,1,0,1|2,0,0]=4 3894 B9R1.137 CN(CC(=O)N)C1CC1 269982a_100000226674_100000187820 [0,0,0,1,0,1|2,0,0]=4 3895 B9R1.137 CN(CC(=O)O)C1CC1 269956a_100000746989_100000211595 [0,0,0,1,0,1|1,0,0]=3 3896 B9R1.137 CN(CC(=O)[O-])C1CC1 269982a_100000226674_100020667443 [0,0,0,1,0,1|1,0,1]=4 3897 B9R1.171 CC(=O)CC1(CCC1)C 1458a_100000070787_100000726658 [0,0,0,1,0,1|1,0,0]=3 3898 B9R1.171 CC(=O)CC1(COC1)C 1458a_100000070787_100000066812 [0,0,0,1,0,1|2,0,0]=4 3899 B9R1.171 CC(=O)NC1(CCC1)C 11a_100000692455_100015343762 [0,0,0,1,0,1|1,0,0]=3 3900 B9R1.171 CC(=O)NC1(CCC1)C 1626a_100000692455_100015343762 [0,0,0,1,0,1|1,0,0]=3 3901 B9R1.171 CC(=O)NC1(CCC1)C 240690a_100000692455_100015343762 [0,0,0,1,0,1|1,0,0]=3 3902 B9R1.171 CC(=O)NC1(CCC1)C 527a_100000692455_100103153847 [0,0,0,1,0,1|1,0,0]=3 3903 B9R1.171 CC(=O)NC1(COC1)C 11a_100000732644_100015343762 [0,0,0,1,0,1|2,0,0]=4 3904 B9R1.171 CC(=O)NC1(COC1)C 1626a_100000732644_100015343762 [0,0,0,1,0,1|2,0,0]=4 3905 B9R1.171 CC(=O)NC1(COC1)C 527a_100000732644_100103153847 [0,0,0,1,0,1|2,0,0]=4 3906 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 3907 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 3908 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 3909 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 3910 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 3911 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 3912 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,1,0,1,0,0|1,0,1]=4 3913 B9R1.81 CCN(C)C1CCC1=O 269982a_100000225621_100009892977 [0,1,0,1,0,0|2,0,0]=4 3914 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,1,0,1,0,0|1,0,0]=3 3915 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,1,0,1,0,0|2,0,0]=4 3916 B9R1.101 C=CC(=O)N(C)C1CC1 1626a_100000226674_100000185746 [0,1,0,1,0,0|2,0,0]=4 3917 B9R1.101 C=CC(=O)N(C)C1CC1 240690a_100000226674_200121576911 [0,1,0,1,0,0|2,0,0]=4 3918 B9R1.101 CCC(=O)N(C)C1CC1 11a_100000226674_100000210414 [0,1,0,1,0,0|2,0,0]=4 3919 B9R1.101 CCC(=O)N(C)C1CC1 1626a_100000226674_100000210414 [0,1,0,1,0,0|2,0,0]=4 3920 B9R1.101 CCC(=O)N(C)C1CC1 240690a_100000226674_100000210414 [0,1,0,1,0,0|2,0,0]=4 3921 B9R1.101 CCC(=O)N(C)C1CC1 527a_100000226674_100000210414 [0,1,0,1,0,0|2,0,0]=4 3922 B9R1.101 CN(C(=O)CO)C1CC1 240690a_100000226674_100000210174 [0,1,0,1,0,0|1,0,0]=3 3923 B9R1.101 CN(C(=O)CO)C1CC1 527a_100000226674_100000210174 [0,1,0,1,0,0|1,0,0]=3 3924 B9R1.101 CNC(=O)N(C)C1CC1 2708a_100102657272_100000226674 [0,1,0,1,0,0|2,0,0]=4 3925 B9R1.101 CNC(=O)N(C)C1CC1 273464a_100102657272_100000226674 [0,1,0,1,0,0|2,0,0]=4 3926 B9R1.110 CC(=O)C(C)N1CCC1 269982a_100000754969_100009814033 [0,1,0,1,0,0|1,0,0]=3 3927 B9R1.110 CC(=O)N(C)C1CCC1 11a_100000758072_100015343762 [0,1,0,1,0,0|2,0,0]=4 3928 B9R1.110 CC(=O)N(C)C1CCC1 1626a_100000758072_100015343762 [0,1,0,1,0,0|2,0,0]=4 3929 B9R1.110 CC(=O)N(C)C1CCC1 240690a_100000758072_100015343762 [0,1,0,1,0,0|2,0,0]=4 3930 B9R1.110 CC(=O)N(C)C1CCC1 527a_100000758072_100103153847 [0,1,0,1,0,0|2,0,0]=4 3931 B9R1.110 CC(=O)N(C)C1COC1 11a_100102693430_100015343762 [0,1,0,1,0,0|2,0,0]=4 3932 B9R1.110 CC(=O)N(C)C1COC1 1626a_100102693430_100015343762 [0,1,0,1,0,0|2,0,0]=4 3933 B9R1.110 CC(=O)N(C)C1COC1 240690a_100102693430_100015343762 [0,1,0,1,0,0|2,0,0]=4 3934 B9R1.110 CC(=O)N(C)C1COC1 527a_100102693430_100103153847 [0,1,0,1,0,0|2,0,0]=4 3935 B9R1.110 CC(C(=O)N)N1CCC1 269982a_100000754969_100000184083 [0,1,0,1,0,0|1,0,0]=3 3936 B9R1.110 NC(=O)C(F)N1CCC1 269982a_100000754969_100009813875 [0,1,0,1,0,0|2,0,0]=4 3937 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [0,1,0,1,0,0|1,0,0]=3 3938 B9R1.11 C#CC(=O)C1CCOC1 1458a_100000211873_100000690089 [0,1,0,1,0,0|2,0,0]=4 3939 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,1,0,1,0,0|1,0,0]=3 3940 B9R1.11 C=CC(=O)C1CCOC1 1458a_100000185746_100000690089 [0,1,0,1,0,0|2,0,0]=4 3941 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [0,1,0,1,0,0|2,0,0]=4 3942 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [0,1,0,1,0,0|1,0,1]=4 3943 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [0,1,0,1,0,0|1,0,1]=4 3944 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,1,0,0|1,0,0]=3 3945 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,1,0,0|1,0,0]=3 3946 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,1,0,0|2,0,0]=4 3947 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,1,0,1,0,0|2,0,0]=4 3948 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,1,0,1,0,0|2,0,0]=4 3949 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,1,0,1,0,0|2,0,0]=4 3950 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,1,0,1,0,0|2,0,0]=4 3951 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,1,0,0|2,0,0]=4 3952 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,1,0,1,0,0|1,0,0]=3 3953 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,1,0,1,0,0|1,0,0]=3 3954 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,1,0,1,0,0|1,0,0]=3 3955 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,1,0,1,0,0|1,0,0]=3 3956 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,1,0,1,0,0|2,0,0]=4 3957 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,1,0,1,0,0|2,0,0]=4 3958 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,1,0,1,0,0|2,0,0]=4 3959 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,1,0,1,0,0|2,0,0]=4 3960 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [0,1,0,1,0,0|2,0,0]=4 3961 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [0,1,0,1,0,0|2,0,0]=4 3962 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [0,1,0,1,0,0|2,0,0]=4 3963 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [0,1,0,1,0,0|2,0,0]=4 3964 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,1,0,1,0,0|2,0,0]=4 3965 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,1,0,1,0,0|2,0,0]=4 3966 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,1,0,0|2,0,0]=4 3967 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,1,0,0|2,0,0]=4 3968 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,1,0,0|2,0,0]=4 3969 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,1,0,0|2,0,0]=4 3970 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [0,1,0,1,0,0|1,0,1]=4 3971 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [0,1,0,1,0,0|1,0,1]=4 3972 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,1,0,1,0,0|1,0,0]=3 3973 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,1,0,1,0,0|2,0,0]=4 3974 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [0,1,0,1,0,0|2,0,0]=4 3975 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,1,0,0|2,0,0]=4 3976 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,1,0,0|0,0,0]=2 3977 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,1,0,1,0,0|1,0,0]=3 3978 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,1,0,0|1,0,0]=3 3979 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,1,0,0|1,0,0]=3 3980 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [0,1,0,1,0,0|2,0,0]=4 3981 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [0,1,0,1,0,0|2,0,0]=4 3982 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [0,1,0,1,0,0|1,0,1]=4 3983 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [0,1,0,1,0,0|1,0,1]=4 3984 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,1,0,1,0,0|1,0,0]=3 3985 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,1,0,1,0,0|1,0,0]=3 3986 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [0,1,0,1,0,0|1,0,1]=4 3987 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,1,0,1,0,0|1,0,0]=3 3988 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,1,0,1,0,0|1,0,0]=3 3989 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,1,0,1,0,0|1,0,0]=3 3990 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,1,0,1,0,0|1,0,0]=3 3991 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,1,0,1,0,0|1,0,0]=3 3992 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,1,0,1,0,0|2,0,0]=4 3993 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,1,0,1,0,0|2,0,0]=4 3994 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,1,0,1,0,0|1,0,0]=3 3995 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,1,0,1,0,0|1,0,0]=3 3996 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [0,1,0,1,0,0|1,0,1]=4 3997 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [0,1,0,1,0,0|1,0,1]=4 3998 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [0,1,0,1,0,0|1,0,1]=4 3999 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,1,0,1,0,0|1,0,0]=3 4000 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,1,0,1,0,0|1,0,0]=3 4001 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,1,0,1,0,0|2,0,0]=4 4002 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,1,0,1,0,0|1,0,0]=3 4003 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,1,0,1,0,0|1,0,0]=3 4004 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [0,1,0,1,0,0|1,0,1]=4 4005 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [0,1,0,1,0,0|1,0,1]=4 4006 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,1,0,1,0,0|1,0,0]=3 4007 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,1,0,1,0,0|1,0,0]=3 4008 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,1,0,1,0,0|2,0,0]=4 4009 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,1,0,1,0,0|2,0,0]=4 4010 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,1,0,1,0,0|1,0,0]=3 4011 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,1,0,1,0,0|1,0,0]=3 4012 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,1,0,1,0,0|1,0,0]=3 4013 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,1,0,1,0,0|1,0,0]=3 4014 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,1,0,1,0,0|1,0,0]=3 4015 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,1,0,1,0,0|1,0,0]=3 4016 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [0,1,0,1,0,0|1,0,1]=4 4017 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [0,1,0,1,0,0|1,0,1]=4 4018 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,1,0,1,0,0|1,0,0]=3 4019 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,1,0,1,0,0|1,0,0]=3 4020 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,1,0,1,0,0|2,0,0]=4 4021 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,1,0,1,0,0|2,0,0]=4 4022 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,1,0,1,0,0|2,0,0]=4 4023 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [0,1,0,1,0,0|2,0,0]=4 4024 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [0,1,0,1,0,0|2,0,0]=4 4025 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,1,0,1,0,0|1,0,0]=3 4026 B9R1.33 CCN[C@@H]1CONC1=O 2230a_100000765999_100000210202 [0,1,0,1,0,0|1,0,0]=3 4027 B9R1.33 CCN[C@@H]1CONC1=O 34a_100000765999_100000210202 [0,1,0,1,0,0|1,0,0]=3 4028 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,1,0,1,0,0|2,0,0]=4 4029 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,1,0,1,0,0|2,0,0]=4 4030 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,1,0,1,0,0|1,0,0]=3 4031 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,1,0,1,0,0|2,0,0]=4 4032 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,1,0,1,0,0|2,0,0]=4 4033 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,1,0,1,0,0|2,0,0]=4 4034 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,1,0,1,0,0|1,0,0]=3 4035 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,1,0,1,0,0|1,0,0]=3 4036 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,1,0,1,0,0|2,0,0]=4 4037 B9R1.33 O=C1NOC[C@H]1NCF 34a_100000765999_100015361967 [0,1,0,1,0,0|2,0,0]=4 4038 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [0,1,0,1,0,0|2,0,0]=4 4039 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [0,1,0,1,0,0|2,0,0]=4 4040 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,1,0,1,0,0|2,0,0]=4 4041 B9R1.69 CC1CCN(CC1O)C 2230a_100000696640_200000210301 [0,1,0,1,0,0|1,0,1]=4 4042 B9R1.69 CC1CCN(CC1O)C 269982a_100000696640_200000210301 [0,1,0,1,0,0|1,0,1]=4 4043 B9R1.69 CC1CCN(CC1O)[13CH3] 2230a_100000696640_200025704644 [0,1,0,1,0,0|1,0,1]=4 4044 B9R1.69 CC1CCN(CC1O)[13CH3] 269982a_100000696640_200025704644 [0,1,0,1,0,0|1,0,1]=4 4045 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,1,0,1,0,0|2,0,0]=4 4046 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,1,0,1,0,0|2,0,0]=4 4047 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,1,0,1,0,0|2,0,0]=4 4048 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,1,0,1,0,0|2,0,0]=4 4049 B9R1.82 C=CC(=O)N1CC(C1)C 240690a_100000702820_200121576911 [0,1,0,1,0,0|2,0,0]=4 4050 B9R1.82 CC1CC(C1)C(=O)CF 1458a_100000686124_100015361967 [0,1,0,1,0,0|1,0,0]=3 4051 B9R1.82 CC1CN(C1)C(=O)CO 240690a_100000702820_100000210174 [0,1,0,1,0,0|1,0,0]=3 4052 B9R1.82 CC1CN(C1)C(=O)CO 527a_100000702820_100000210174 [0,1,0,1,0,0|1,0,0]=3 4053 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [0,1,0,1,0,0|1,0,0]=3 4054 B9R1.82 CCC(=O)C1CC(C1)F 1458a_100000062598_100000210202 [0,1,0,1,0,0|2,0,0]=4 4055 B9R1.82 CCC(=O)C1CN(C1)C 1458a_100012002723_100000210202 [0,1,0,1,0,0|2,0,0]=4 4056 B9R1.82 CCC(=O)N1CC(C1)C 11a_100000702820_100000210414 [0,1,0,1,0,0|2,0,0]=4 4057 B9R1.82 CCC(=O)N1CC(C1)C 240690a_100000702820_100000210414 [0,1,0,1,0,0|2,0,0]=4 4058 B9R1.82 CCC(=O)N1CC(C1)C 527a_100000702820_100000210414 [0,1,0,1,0,0|2,0,0]=4 4059 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [0,1,0,1,0,0|2,0,0]=4 4060 B9R1.82 CN1CC(C1)C(=O)CF 1458a_100012002723_100015361967 [0,1,0,1,0,0|2,0,0]=4 4061 B9R1.82 CNC(=O)C1CC(C1)C 11a_106832991635_100000686124 [0,1,0,1,0,0|1,0,0]=3 4062 B9R1.82 CNC(=O)C1CC(C1)C 1626a_100102657272_100000686124 [0,1,0,1,0,0|1,0,0]=3 4063 B9R1.82 CNC(=O)C1CC(C1)C 240690a_100102657272_100000686124 [0,1,0,1,0,0|1,0,0]=3 4064 B9R1.82 CNC(=O)C1CC(C1)C 527a_100102657272_100000686124 [0,1,0,1,0,0|1,0,0]=3 4065 B9R1.82 CNC(=O)C1CC(C1)F 11a_106832991635_100000062598 [0,1,0,1,0,0|2,0,0]=4 4066 B9R1.82 CNC(=O)C1CC(C1)F 1626a_100102657272_100000062598 [0,1,0,1,0,0|2,0,0]=4 4067 B9R1.82 CNC(=O)C1CC(C1)F 240690a_100102657272_100000062598 [0,1,0,1,0,0|2,0,0]=4 4068 B9R1.82 CNC(=O)C1CC(C1)F 527a_100102657272_100000062598 [0,1,0,1,0,0|2,0,0]=4 4069 B9R1.82 CNC(=O)C1CN(C1)C 240690a_100102657272_100012002723 [0,1,0,1,0,0|2,0,0]=4 4070 B9R1.82 CNC(=O)C1CN(C1)C 34a_100000703363_200000210301 [0,1,0,1,0,0|2,0,0]=4 4071 B9R1.82 CNC(=O)C1CN(C1)[13CH3] 34a_100000703363_200025704644 [0,1,0,1,0,0|2,0,0]=4 4072 B9R1.82 CNC(=O)N1CC(C1)C 2708a_100102657272_100000702820 [0,1,0,1,0,0|2,0,0]=4 4073 B9R1.82 CNC(=O)N1CC(C1)C 273464a_100102657272_100000702820 [0,1,0,1,0,0|2,0,0]=4 4074 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 240690a_100102657272_100015266633 [0,1,0,1,0,0|2,0,0]=4 4075 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 527a_100102657272_100015266633 [0,1,0,1,0,0|2,0,0]=4 4076 B9R1.82 COC(=O)C1CN(C1)C 269982a_100015188540_200000210301 [0,1,0,1,0,0|1,0,0]=3 4077 B9R1.82 COC(=O)C1CN(C1)[13CH3] 269982a_100015188540_200025704644 [0,1,0,1,0,0|1,0,0]=3 4078 B9R1.82 O=C(CF)C1CC(C1)F 1458a_100000062598_100015361967 [0,1,0,1,0,0|2,0,0]=4 4079 B9R1.82 O=C(CF)[C@H]1C[C@H](C1)O 1458a_100015266633_100015361967 [0,1,0,1,0,0|2,0,0]=4 4080 B9R1.82 O=C(CO)N1CC(C1)F 240690a_100000690557_100000210174 [0,1,0,1,0,0|2,0,0]=4 4081 B9R1.82 O=C(CO)N1CC(C1)F 527a_100000690557_100000210174 [0,1,0,1,0,0|2,0,0]=4 4082 B9R1.82 O=C(CO)N1CC(C1)O 240690a_100000749847_100000210174 [0,1,0,1,0,0|2,0,0]=4 4083 B9R1.82 O=C(CO)N1CC(C1)O 527a_100000749847_100000210174 [0,1,0,1,0,0|2,0,0]=4 4084 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,1,0,1,0,0|1,0,0]=3 4085 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [0,1,0,1,0,0|1,0,0]=3 4086 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,1,0,1,0,0|1,0,0]=3 4087 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,1,0,1,0,0|1,0,0]=3 4088 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,1,0,1,0,0|1,0,0]=3 4089 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,1,0,1,0,0|1,0,0]=3 4090 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [0,1,0,1,0,0|1,0,0]=3 4091 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210303 [0,1,0,1,0,0|1,0,1]=4 4092 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210303 [0,1,0,1,0,0|1,0,1]=4 4093 B9R1.186 CC1(CCC1)C(=O)CF 1458a_100000684636_100015361967 [0,1,0,1,0,0|1,0,0]=3 4094 B9R1.186 CC1(COC1)C(=O)CF 1458a_100000094709_100015361967 [0,1,0,1,0,0|2,0,0]=4 4095 B9R1.186 CCC(=O)C1(CCC1)C 1458a_100000684636_100000210202 [0,1,0,1,0,0|1,0,0]=3 4096 B9R1.186 CCC(=O)C1(CCC1)O 1458a_100000242746_100000210202 [0,1,0,1,0,0|2,0,0]=4 4097 B9R1.186 CCC(=O)C1(COC1)C 1458a_100000094709_100000210202 [0,1,0,1,0,0|2,0,0]=4 4098 B9R1.186 CNC(=O)C1(CCC1)C 11a_106832991635_100000684636 [0,1,0,1,0,0|1,0,0]=3 4099 B9R1.186 CNC(=O)C1(CCC1)C 1626a_100102657272_100000684636 [0,1,0,1,0,0|1,0,0]=3 4100 B9R1.186 CNC(=O)C1(CCC1)C 240690a_100102657272_100000684636 [0,1,0,1,0,0|1,0,0]=3 4101 B9R1.186 CNC(=O)C1(CCC1)C 527a_100102657272_100000684636 [0,1,0,1,0,0|1,0,0]=3 4102 B9R1.186 CNC(=O)C1(CCC1)O 240690a_100102657272_100000242746 [0,1,0,1,0,0|2,0,0]=4 4103 B9R1.186 CNC(=O)C1(COC1)C 11a_106832991635_100000094709 [0,1,0,1,0,0|2,0,0]=4 4104 B9R1.186 CNC(=O)C1(COC1)C 1626a_100102657272_100000094709 [0,1,0,1,0,0|2,0,0]=4 4105 B9R1.186 CNC(=O)C1(COC1)C 527a_100102657272_100000094709 [0,1,0,1,0,0|2,0,0]=4 4106 B9R1.186 O=C(CF)C1(CCC1)O 1458a_100000242746_100015361967 [0,1,0,1,0,0|2,0,0]=4 4107 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,1,0,1,0,0|1,0,1]=4 4108 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,1,0,1,0,0|1,0,1]=4 4109 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,1,0,1,0,0|1,0,0]=3 4110 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,1,0,1,0,0|1,0,0]=3 4111 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,1,0,1,0,0|1,0,0]=3 4112 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,1,0,1,0,0|1,0,0]=3 4113 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,1,0,1,0,0|1,0,0]=3 4114 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,1,0,1,0,0|1,0,0]=3 4115 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,1,0,1,0,0|1,0,0]=3 4116 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,1,0,1,0,0|1,0,0]=3 4117 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,1,0,1,0,0|2,0,0]=4 4118 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,1,0,1,0,0|2,0,0]=4 4119 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,1,0,1,0,0|2,0,0]=4 4120 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,1,0,1,0,0|2,0,0]=4 4121 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,1,0,1,0,0|2,0,0]=4 4122 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,1,0,1,0,0|2,0,0]=4 4123 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,1,0,1,0,0|2,0,0]=4 4124 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,1,0,1,0,0|2,0,0]=4 4125 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,1,0,1,0,0|2,0,0]=4 4126 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,1,0,1,0,0|2,0,0]=4 4127 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,1,0,1,0,0|2,0,0]=4 4128 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,1,0,1,0,0|1,0,1]=4 4129 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,1,0,1,0,0|1,0,1]=4 4130 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,1,0,1,0,0|1,0,0]=3 4131 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,1,0,1,0,0|1,0,0]=3 4132 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,1,0,1,0,0|1,0,0]=3 4133 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,1,0,1,0,0|1,0,0]=3 4134 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,1,0,1,0,0|1,0,0]=3 4135 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,1,0,1,0,0|2,0,0]=4 4136 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,1,0,1,0,0|2,0,0]=4 4137 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,1,0,1,0,0|1,0,1]=4 4138 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [0,1,0,1,0,0|0,0,2]=4 4139 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [0,1,0,1,0,0|0,0,2]=4 4140 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210202 [0,1,0,1,0,0|1,0,1]=4 4141 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000204670 [0,1,0,1,0,0|1,0,1]=4 4142 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [0,1,0,1,0,0|2,0,0]=4 4143 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [0,1,0,1,0,0|2,0,0]=4 4144 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [0,1,0,1,0,0|0,0,2]=4 4145 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [0,1,0,1,0,0|2,0,0]=4 4146 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [0,1,0,1,0,0|2,0,0]=4 4147 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [0,1,0,1,0,0|0,0,2]=4 4148 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [0,1,0,1,0,0|0,0,2]=4 4149 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,1,0,1,0,0|1,0,0]=3 4150 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,1,0,1,0,0|1,0,0]=3 4151 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,1,0,1,0,0|2,0,0]=4 4152 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,1,0,1,0,0|2,0,0]=4 4153 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,1,0,1,0,0|2,0,0]=4 4154 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,1,0,1,0,0|2,0,0]=4 4155 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,1,0,1,0,0|2,0,0]=4 4156 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,1,0,1,0,0|2,0,0]=4 4157 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,1,0,1,0,0|2,0,0]=4 4158 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,1,0,1,0,0|2,0,0]=4 4159 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,1,0,1,0,0|2,0,0]=4 4160 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,1,0,1,0,0|1,0,0]=3 4161 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,1,0,1,0,0|1,0,0]=3 4162 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,1,0,1,0,0|1,0,0]=3 4163 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,1,0,1,0,0|1,0,0]=3 4164 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,1,0,1,0,0|1,0,0]=3 4165 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,1,0,1,0,0|1,0,0]=3 4166 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,1,0,1,0,0|1,0,0]=3 4167 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,1,0,1,0,0|1,0,0]=3 4168 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,1,0,1,0,0|1,0,0]=3 4169 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,1,0,1,0,0|1,0,0]=3 4170 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,1,0,1,0,0|1,0,0]=3 4171 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,1,0,1,0,0|1,0,0]=3 4172 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,1,0,1,0,0|1,0,0]=3 4173 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [0,1,0,1,0,0|2,0,0]=4 4174 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [0,1,0,1,0,0|2,0,0]=4 4175 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,1,0,1,0,0|1,0,0]=3 4176 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,1,0,1,0,0|1,0,0]=3 4177 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [0,1,0,1,0,0|2,0,0]=4 4178 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [0,1,0,1,0,0|2,0,0]=4 4179 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [0,1,0,1,0,0|2,0,0]=4 4180 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [0,1,0,1,0,0|2,0,0]=4 4181 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,1,0,1,0,0|2,0,0]=4 4182 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [0,1,0,1,0,0|2,0,0]=4 4183 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [0,1,0,1,0,0|2,0,0]=4 4184 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [0,1,0,1,0,0|2,0,0]=4 4185 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,1,0,1,0,0|2,0,0]=4 4186 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,1,0,1,0,0|2,0,0]=4 4187 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,1,0,1,0,0|1,0,0]=3 4188 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,1,0,1,0,0|1,0,0]=3 4189 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,1,0,1,0,0|1,0,0]=3 4190 B9R1.95 CC(=O)N1CC(C1)CF 11a_100010363649_100015343762 [0,1,0,1,0,0|2,0,0]=4 4191 B9R1.95 CC(=O)N1CC(C1)CF 240690a_100010363649_100015343762 [0,1,0,1,0,0|2,0,0]=4 4192 B9R1.95 CC(=O)N1CC(C1)CF 527a_100010363649_100103153847 [0,1,0,1,0,0|2,0,0]=4 4193 B9R1.95 CC(=O)N1CC(C1)CO 240690a_100016987283_100015343762 [0,1,0,1,0,0|2,0,0]=4 4194 B9R1.95 CC(=O)N1CC(C1)CO 527a_100016987283_100103153847 [0,1,0,1,0,0|2,0,0]=4 4195 B9R1.95 CC(=O)N1CC(C1)N[13CH3] 2230a_100102955437_200025704644 [0,1,0,1,0,0|2,0,0]=4 4196 B9R1.95 CCC1CN(C1)C(=O)C 11a_100015205115_100015343762 [0,1,0,1,0,0|2,0,0]=4 4197 B9R1.95 CCC1CN(C1)C(=O)C 1626a_100015205115_100015343762 [0,1,0,1,0,0|2,0,0]=4 4198 B9R1.95 CCC1CN(C1)C(=O)C 240690a_100015205115_100015343762 [0,1,0,1,0,0|2,0,0]=4 4199 B9R1.95 CCC1CN(C1)C(=O)C 527a_100015205115_100103153847 [0,1,0,1,0,0|2,0,0]=4 4200 B9R1.95 CCN1CC(C1)C(=O)N 34a_100025753142_100000210202 [0,1,0,1,0,0|1,0,0]=3 4201 B9R1.95 CNC1CN(C1)C(=O)C 2230a_100102955437_200000210301 [0,1,0,1,0,0|2,0,0]=4 4202 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,1,0,1,0,0|0,0,0]=2 4203 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [0,1,0,1,0,0|1,0,0]=3 4204 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [0,1,0,1,0,0|1,0,0]=3 4205 B9R1.95 COC1CN(C1)C(=O)C 11a_100000755009_100015343762 [0,1,0,1,0,0|2,0,0]=4 4206 B9R1.95 COC1CN(C1)C(=O)C 1626a_100000755009_100015343762 [0,1,0,1,0,0|2,0,0]=4 4207 B9R1.95 COC1CN(C1)C(=O)C 240690a_100000755009_100015343762 [0,1,0,1,0,0|2,0,0]=4 4208 B9R1.95 COC1CN(C1)C(=O)C 527a_100000755009_100103153847 [0,1,0,1,0,0|2,0,0]=4 4209 B9R1.95 CSC1CN(C1)C(=O)C 11a_100016990038_100015343762 [0,1,0,1,0,0|2,0,0]=4 4210 B9R1.95 CSC1CN(C1)C(=O)C 1626a_100016990038_100015343762 [0,1,0,1,0,0|2,0,0]=4 4211 B9R1.95 CSC1CN(C1)C(=O)C 240690a_100016990038_100015343762 [0,1,0,1,0,0|2,0,0]=4 4212 B9R1.95 CSC1CN(C1)C(=O)C 527a_100016990038_100103153847 [0,1,0,1,0,0|2,0,0]=4 4213 B9R1.95 NC(=O)C1CN(C1)CF 34a_100025753142_100015361967 [0,1,0,1,0,0|2,0,0]=4 4214 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,1,0,1,0,0|1,0,0]=3 4215 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,1,0,1,0,0|0,0,0]=2 4216 B9R1.100 CCCNC(C)C1CO1 270004a_100020643023_100000031964 [0,1,0,1,0,0|1,0,1]=4 4217 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [0,1,0,1,0,0|1,0,0]=3 4218 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [0,1,0,1,0,0|1,0,0]=3 4219 B9R1.112 CC(=O)N(C)CC1CC1 11a_100000741881_100015343762 [0,1,0,1,0,0|2,0,0]=4 4220 B9R1.112 CC(=O)N(C)CC1CC1 1626a_100000741881_100015343762 [0,1,0,1,0,0|2,0,0]=4 4221 B9R1.112 CC(=O)N(C)CC1CC1 240690a_100000741881_100015343762 [0,1,0,1,0,0|2,0,0]=4 4222 B9R1.112 CC(=O)N(C)CC1CC1 527a_100000741881_100103153847 [0,1,0,1,0,0|2,0,0]=4 4223 B9R1.112 CC(NC1CC1)C(=O)N 34a_100000212008_100000702099 [0,1,0,1,0,0|1,0,0]=3 4224 B9R1.112 CC(SC1CC1)C(=O)N 62a_100000702099_100000211595 [0,1,0,1,0,0|1,0,0]=3 4225 B9R1.112 C[C@@H](NC1CC1)C(=O)N 34a_100000119354_100000211595 [0,1,0,1,0,0|1,0,0]=3 4226 B9R1.112 C[C@@H](OC1CC1)C(=O)N 34a_100000731257_100000211595 [0,1,0,1,0,0|1,0,0]=3 4227 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,1,0,1,0,0|0,0,0]=2 4228 B9R1.112 NC(=O)C(F)NC1CC1 34a_100000212008_100009813875 [0,1,0,1,0,0|2,0,0]=4 4229 B9R1.112 NC(=O)C(F)SC1CC1 62a_100009813875_100000211595 [0,1,0,1,0,0|2,0,0]=4 4230 B9R1.112 O=C([O-])C(F)NC1CC1 34a_100000212008_100020610796 [0,1,0,1,0,0|1,0,1]=4 4231 B9R1.112 O=C([O-])C(F)SC1CC1 62a_100020610796_100000211595 [0,1,0,1,0,0|1,0,1]=4 4232 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,1,0,1,0,0|1,0,0]=3 4233 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,1,0,1,0,0|1,0,0]=3 4234 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,1,0,1,0,0|1,0,0]=3 4235 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,1,0,1,0,0|1,0,0]=3 4236 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,1,0,1,0,0|1,0,0]=3 4237 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,1,0,1,0,0|1,0,0]=3 4238 B9R1.179 CCNC1(CC1)C(=O)N 2230a_100000687655_100000210202 [0,1,0,1,0,0|2,0,0]=4 4239 B9R1.179 CCNC1(CC1)C(=O)O 269956a_100000746478_100000210202 [0,1,0,1,0,0|1,0,0]=3 4240 B9R1.179 CCOC1(CC1)C(=O)C 1458a_100011094191_200000210301 [0,1,0,1,0,0|2,0,0]=4 4241 B9R1.179 CCOC1(CC1)C(=O)N 34a_100121572206_100010760883 [0,1,0,1,0,0|2,0,0]=4 4242 B9R1.179 CCOC1(CC1)C(=O)[13CH3] 1458a_100011094191_200025704644 [0,1,0,1,0,0|2,0,0]=4 4243 B9R1.179 CCSC1(CC1)C(=O)C 62a_100000086384_100000210202 [0,1,0,1,0,0|2,0,0]=4 4244 B9R1.179 CCSC1(CC1)C(=O)C 62a_100000210202_100000086384 [0,1,0,1,0,0|2,0,0]=4 4245 B9R1.179 CCSC1(CC1)C(=O)N 62a_100000210202_100010760883 [0,1,0,1,0,0|2,0,0]=4 4246 B9R1.179 CCSC1(CC1)C(=O)N 62a_100010760883_100000210202 [0,1,0,1,0,0|2,0,0]=4 4247 B9R1.179 CNCC1(CC1)C(=O)O 269956a_100000703410_200000210301 [0,1,0,1,0,0|1,0,0]=3 4248 B9R1.179 COCC1(CC1)C(=O)N 34a_100000117830_200000210301 [0,1,0,1,0,0|2,0,0]=4 4249 B9R1.179 COCC1(CC1)C(=O)N 7a_100000117830_200000210301 [0,1,0,1,0,0|2,0,0]=4 4250 B9R1.179 O=C(O)C1(CC1)NCF 269956a_100000746478_100015361967 [0,1,0,1,0,0|2,0,0]=4 4251 B9R1.179 [13CH3]NCC1(CC1)C(=O)O 269956a_100000703410_200025704644 [0,1,0,1,0,0|1,0,0]=3 4252 B9R1.179 [13CH3]OCC1(CC1)C(=O)N 34a_100000117830_200025704644 [0,1,0,1,0,0|2,0,0]=4 4253 B9R1.179 [13CH3]OCC1(CC1)C(=O)N 7a_100000117830_200025704644 [0,1,0,1,0,0|2,0,0]=4 4254 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_200000210301 [0,1,0,1,0,0|1,0,1]=4 4255 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_200000210301 [0,1,0,1,0,0|1,0,1]=4 4256 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 2230a_100015977457_200025704644 [0,1,0,1,0,0|1,0,1]=4 4257 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 34a_100015977457_200025704644 [0,1,0,1,0,0|1,0,1]=4 4258 B9R1.116 CCN(C(=O)C)C1CC1 11a_100000738653_100015343762 [0,1,0,1,0,0|2,0,0]=4 4259 B9R1.116 CCN(C(=O)C)C1CC1 1626a_100000738653_100015343762 [0,1,0,1,0,0|2,0,0]=4 4260 B9R1.116 CCN(C(=O)C)C1CC1 240690a_100000738653_100015343762 [0,1,0,1,0,0|2,0,0]=4 4261 B9R1.116 CCN(C(=O)C)C1CC1 527a_100000738653_100103153847 [0,1,0,1,0,0|2,0,0]=4 4262 B9R1.119 CC(=O)C1(CCC1)C#N 1458a_100000752263_200000210301 [0,1,0,1,0,0|1,0,1]=4 4263 B9R1.119 CCC1(CCC1)C(=O)C 1458a_100000685558_200000210301 [0,1,0,1,0,0|1,0,0]=3 4264 B9R1.119 CCC1(CCC1)C(=O)[13CH3] 1458a_100000685558_200025704644 [0,1,0,1,0,0|1,0,0]=3 4265 B9R1.119 CCC1(COC1)C(=O)C 1458a_100000139254_200000210301 [0,1,0,1,0,0|2,0,0]=4 4266 B9R1.119 CCC1(COC1)C(=O)[13CH3] 1458a_100000139254_200025704644 [0,1,0,1,0,0|2,0,0]=4 4267 B9R1.119 CNC1(CCC1)C(=O)O 269956a_100000688724_200000210301 [0,1,0,1,0,0|0,0,0]=2 4268 B9R1.119 [13CH3]C(=O)C1(CCC1)C#N 1458a_100000752263_200025704644 [0,1,0,1,0,0|1,0,1]=4 4269 B9R1.119 [13CH3]NC1(CCC1)C(=O)O 269956a_100000688724_200025704644 [0,1,0,1,0,0|0,0,0]=2 4270 B9R1.67 CC(C)NC1CCC1=O 34a_100138425928_100009892977 [0,1,0,1,0,0|2,0,0]=4 4271 B9R1.67 CC(C)OC1CCC1=O 34a_100000212225_100009892977 [0,1,0,1,0,0|2,0,0]=4 4272 B9R1.67 CC(C)SC1CCC1=O 62a_100000210206_100009892977 [0,1,0,1,0,0|2,0,0]=4 4273 B9R1.67 CC(C)SC1CCC1=O 62a_100009892977_100000210206 [0,1,0,1,0,0|2,0,0]=4 4274 B9R1.164 CC(=O)C1CC(C1)(C)C 1458a_100000695498_200000210301 [0,1,0,1,0,0|1,0,0]=3 4275 B9R1.164 CC(=O)C1CC(C1)(F)F 1458a_100000030993_200000210301 [0,1,0,1,0,0|2,0,0]=4 4276 B9R1.164 CC(=O)C1CC(C1)(F)F 1458a_100000070787_100010741680 [0,1,0,1,0,0|2,0,0]=4 4277 B9R1.164 CC(=O)N1CC(C1)(C)C 11a_100000753659_100015343762 [0,1,0,1,0,0|2,0,0]=4 4278 B9R1.164 CC(=O)N1CC(C1)(C)C 1626a_100000753659_100015343762 [0,1,0,1,0,0|2,0,0]=4 4279 B9R1.164 CC(=O)N1CC(C1)(C)C 240690a_100000753659_100015343762 [0,1,0,1,0,0|2,0,0]=4 4280 B9R1.164 CC(=O)N1CC(C1)(C)C 527a_100000753659_100103153847 [0,1,0,1,0,0|2,0,0]=4 4281 B9R1.164 CC(=O)N1CC(C1)(C)F 11a_100000696199_100015343762 [0,1,0,1,0,0|2,0,0]=4 4282 B9R1.164 CC(=O)N1CC(C1)(C)F 1626a_100000696199_100015343762 [0,1,0,1,0,0|2,0,0]=4 4283 B9R1.164 CC(=O)N1CC(C1)(C)F 240690a_100000696199_100015343762 [0,1,0,1,0,0|2,0,0]=4 4284 B9R1.164 CC(=O)N1CC(C1)(C)F 527a_100000696199_100103153847 [0,1,0,1,0,0|2,0,0]=4 4285 B9R1.164 CC(=O)N1CC(C1)(C)O 11a_100000718560_100015343762 [0,1,0,1,0,0|2,0,0]=4 4286 B9R1.164 CC(=O)N1CC(C1)(C)O 240690a_100000718560_100015343762 [0,1,0,1,0,0|2,0,0]=4 4287 B9R1.164 CC(=O)N1CC(C1)(C)O 527a_100000718560_100103153847 [0,1,0,1,0,0|2,0,0]=4 4288 B9R1.164 CC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_200000210301 [0,1,0,1,0,0|1,0,0]=3 4289 B9R1.164 CC1(CC(C1)C(=O)[13CH3])C 1458a_100000695498_200025704644 [0,1,0,1,0,0|1,0,0]=3 4290 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)[13CH3])O 1458a_100010742821_200025704644 [0,1,0,1,0,0|1,0,0]=3 4291 B9R1.164 [13CH3]C(=O)C1CC(C1)(F)F 1458a_100000030993_200025704644 [0,1,0,1,0,0|2,0,0]=4 4292 B9R1.169 CC(=O)C1(CC1(F)F)C 1458a_100000117325_200000210301 [0,1,0,1,0,0|2,0,0]=4 4293 B9R1.169 CC1(CC1(F)F)C(=O)[13CH3] 1458a_100000117325_200025704644 [0,1,0,1,0,0|2,0,0]=4 4294 B9R2.145 CC(=O)C12CC(C1)C2 1458a_100000137470_200000210301 [0,0,0,2,0,0|1,0,0]=3 4295 B9R2.145 [13CH3]C(=O)C12CC(C1)C2 1458a_100000137470_200025704644 [0,0,0,2,0,0|1,0,0]=3 4296 B9R0.48 C=C(C)CNC(C)CCC 2230a_100000741246_100000748629 [0,0,0,0,0,2|2,0,0]=4 4297 B9R0.48 C=C(C)COC(C)CCC 34a_100000210245_100000766640 [0,0,0,0,0,2|2,0,0]=4 4298 B9R0.48 C=C(C)COC(C)CCC 34a_100000764384_100000748629 [0,0,0,0,0,2|2,0,0]=4 4299 B9R0.48 C=C(C)COC(C)CCC 7a_100000764384_100000748629 [0,0,0,0,0,2|2,0,0]=4 4300 B9R0.48 C=C(C)CSC(C)CCC 62a_100000748629_100000766640 [0,0,0,0,0,2|2,0,0]=4 4301 B9R0.48 C=C(C)CSC(C)CCC 62a_100000766640_100000211660 [0,0,0,0,0,2|2,0,0]=4 4302 B9R0.48 C=C(F)CNC(C)CCC 2230a_100000741246_100009893438 [0,0,0,0,0,2|2,0,0]=4 4303 B9R0.48 C=C(F)COC(C)CCC 34a_100000764384_100009893438 [0,0,0,0,0,2|2,0,0]=4 4304 B9R0.48 C=C(F)COC(C)CCC 34a_200010262243_100000766640 [0,0,0,0,0,2|2,0,0]=4 4305 B9R0.48 C=C(F)COC(C)CCC 7a_100000764384_100000042424 [0,0,0,0,0,2|2,0,0]=4 4306 B9R0.48 C=C(F)CSC(C)CCC 62a_100000042424_100000766640 [0,0,0,0,0,2|2,0,0]=4 4307 B9R0.48 C=C(F)CSC(C)CCC 62a_100000766640_100000042424 [0,0,0,0,0,2|2,0,0]=4 4308 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [0,0,0,0,0,2|2,0,0]=4 4309 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200000116872_200025704644 [0,0,0,0,0,2|2,0,0]=4 4310 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200025704644_200000116872 [0,0,0,0,0,2|2,0,0]=4 4311 B9R0.48 CC(CC#N)NCC(=O)O 269956a_100016091260_100009813641 [0,0,0,0,0,2|1,0,1]=4 4312 B9R0.48 CC(CCBr)OCC(=O)N 34a_100012276601_100000187820 [0,0,0,0,0,2|2,0,0]=4 4313 B9R0.48 CC(CCBr)OCC(=O)[O-] 34a_100012276601_100020667443 [0,0,0,0,0,2|1,0,1]=4 4314 B9R0.48 CC(CCO)NCC(=O)N 2230a_100000711301_100009893172 [0,0,0,0,0,2|2,0,0]=4 4315 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,0,0,0,0,2|1,0,0]=3 4316 B9R0.48 CC(CCO)SCC(=O)N 62a_100000747473_100009893172 [0,0,0,0,0,2|2,0,0]=4 4317 B9R0.48 CC(CCO)SCC(=O)N 62a_100009893172_100000747473 [0,0,0,0,0,2|2,0,0]=4 4318 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100009893172_100020667443 [0,0,0,0,0,2|1,0,1]=4 4319 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100020667443_100009893172 [0,0,0,0,0,2|1,0,1]=4 4320 B9R0.48 CCCC(=NNC(=O)C)C 4a_100000189765_100000211909 [0,0,0,0,0,2|1,0,1]=4 4321 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [0,0,0,0,0,2|1,0,0]=3 4322 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [0,0,0,0,0,2|1,0,0]=3 4323 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,0,0,0,0,2|0,0,0]=2 4324 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [0,0,0,0,0,2|1,0,1]=4 4325 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [0,0,0,0,0,2|1,0,1]=4 4326 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [0,0,0,0,0,2|1,0,1]=4 4327 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [0,0,0,0,0,2|1,0,1]=4 4328 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [0,0,0,0,0,2|1,0,1]=4 4329 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,0,0,0,0,2|1,0,0]=3 4330 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [0,0,0,0,0,2|1,0,0]=3 4331 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [0,0,0,0,0,2|1,0,0]=3 4332 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [0,0,0,0,0,2|0,0,1]=3 4333 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [0,0,0,0,0,2|1,0,1]=4 4334 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [0,0,0,0,0,2|1,0,1]=4 4335 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [0,0,0,0,0,2|1,0,1]=4 4336 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [0,0,0,0,0,2|1,0,1]=4 4337 B9R0.48 CCCC(C)OC[N+](=O)[O-] 34a_100000764384_100000761209 [0,0,0,0,0,2|1,0,1]=4 4338 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [0,0,0,0,0,2|1,0,0]=3 4339 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [0,0,0,0,0,2|1,0,0]=3 4340 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [0,0,0,0,0,2|0,0,1]=3 4341 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [0,0,0,0,0,2|0,0,1]=3 4342 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [0,0,0,0,0,2|1,0,1]=4 4343 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [0,0,0,0,0,2|1,0,1]=4 4344 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [0,0,0,0,0,2|1,0,1]=4 4345 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [0,0,0,0,0,2|1,0,1]=4 4346 B9R0.48 CCCC(C)SC[N+](=O)[O-] 62a_100000766640_100000761209 [0,0,0,0,0,2|1,0,1]=4 4347 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,0,0,0,0,2|2,0,0]=4 4348 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [0,0,0,0,0,2|2,0,0]=4 4349 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [0,0,0,0,0,2|2,0,0]=4 4350 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [0,0,0,0,0,2|2,0,0]=4 4351 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [0,0,0,0,0,2|2,0,0]=4 4352 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,0,0,0,0,2|2,0,0]=4 4353 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [0,0,0,0,0,2|2,0,0]=4 4354 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [0,0,0,0,0,2|2,0,0]=4 4355 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [0,0,0,0,0,2|2,0,0]=4 4356 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [0,0,0,0,0,2|2,0,0]=4 4357 B9R0.48 COCC(C)NCC(=O)N 2230a_100000711301_100000765312 [0,0,0,0,0,2|2,0,0]=4 4358 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,0,0,0,0,2|1,0,0]=3 4359 B9R0.48 COCC(C)OCC(=O)C 34a_100000211253_100000765312 [0,0,0,0,0,2|2,0,0]=4 4360 B9R0.48 COCC(C)SCC(=O)N 62a_100000747473_100000765312 [0,0,0,0,0,2|2,0,0]=4 4361 B9R0.48 COCC(C)SCC(=O)N 62a_100000765312_100000747473 [0,0,0,0,0,2|2,0,0]=4 4362 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100000765312_100020667443 [0,0,0,0,0,2|1,0,1]=4 4363 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100020667443_100000765312 [0,0,0,0,0,2|1,0,1]=4 4364 B9R0.48 COC[C@@H](C)NCC(=O)N 2230a_100000764878_100000747473 [0,0,0,0,0,2|2,0,0]=4 4365 B9R0.48 COC[C@@H](C)OCC(=O)N 34a_100011934205_100000187820 [0,0,0,0,0,2|2,0,0]=4 4366 B9R0.48 COC[C@@H](C)OCC(=O)[O-] 34a_100011934205_100020667443 [0,0,0,0,0,2|1,0,1]=4 4367 B9R0.48 CSCC(C)CSC(=O)C 62a_200000116872_200000210301 [0,0,0,0,0,2|2,0,0]=4 4368 B9R0.48 CSCC(C)CSC(=O)C 62a_200000210301_200000116872 [0,0,0,0,0,2|2,0,0]=4 4369 B9R0.48 C[C@H](CCO)NCC(=O)N 2230a_100000706166_100000747473 [0,0,0,0,0,2|2,0,0]=4 4370 B9R0.48 C[C@H](CCO)NCC(=O)N 34a_100000706166_100000187820 [0,0,0,0,0,2|2,0,0]=4 4371 B9R0.48 C[C@H](CCO)NCC(=O)[O-] 34a_100000706166_100020667443 [0,0,0,0,0,2|1,0,1]=4