0 B7R1.4 Nc1nocc1O 271570a_203496583355_100012597345 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,0,0,0|2,0,0]=3 2 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,0,0,0|2,0,0]=3 3 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,0,0,0|2,0,0]=3 4 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,0,0,0|1,0,0]=2 5 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,0,0,0|1,0,0]=2 6 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,0,0,0|2,0,0]=3 7 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,0,0,0|2,0,0]=3 8 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.11 CNC1COCC1O 34a_100102657272_200000725654 [0,1,0,0,0,0|1,0,2]=4 10 B8R1.11 CNC1COCC1O 7a_106832991635_200000725654 [0,1,0,0,0,0|1,0,2]=4 11 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,1,0,0,0,0|0,0,0]=1 12 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,1,0,0,0,0|0,0,0]=1 13 B8R1.11 CN[C@H]1COC[C@@H]1O 2230a_100015191717_200000210301 [0,1,0,0,0,0|1,0,2]=4 14 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,0,0,0|3,0,0]=4 15 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,0,0,0|3,0,0]=4 16 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,0,0,0|3,0,0]=4 17 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.11 CO[C@H]1COC[C@@H]1N 34a_100015191717_200000210301 [0,1,0,0,0,0|1,0,2]=4 19 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,0,0,0|3,0,0]=4 21 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,0,0,0|1,0,0]=2 24 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,0,0,0|1,0,0]=2 25 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,1,0,0,0,0|0,0,0]=1 26 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,1,0,0,0,0|0,0,0]=1 27 B8R1.11 [13CH3]N[C@H]1COC[C@@H]1O 2230a_100015191717_200025704644 [0,1,0,0,0,0|1,0,2]=4 28 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.11 [13CH3]O[C@H]1COC[C@@H]1N 34a_100015191717_200025704644 [0,1,0,0,0,0|1,0,2]=4 31 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,0,1,0,0,0|2,0,1]=4 36 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,0,1,0,0,0|2,0,1]=4 37 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,0,1,0,0,0|3,0,0]=4 38 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,0,1,0,0,0|3,0,0]=4 39 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,0,1,0,0,0|3,0,0]=4 40 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,0,1,0,0,0|3,0,0]=4 41 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,0,1,0,0,0|3,0,0]=4 42 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,0,1,0,0,0|2,0,0]=3 43 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,0,1,0,0,0|2,0,0]=3 44 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,0,1,0,0,0|3,0,0]=4 45 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,0,1,0,0,0|3,0,0]=4 46 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,0,1,0,0,0|2,0,1]=4 47 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,1,0,0,0|3,0,0]=4 48 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,0,1,0,0,0|3,0,0]=4 49 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,0,1,0,0,0|3,0,0]=4 50 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,0,1,0,0,0|2,0,0]=3 51 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,0,1,0,0,0|2,0,0]=3 52 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,0,1,0,0,0|2,0,0]=3 53 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,0,1,0,0,0|2,1,0]=4 54 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,0,1,0,0,0|2,1,0]=4 55 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,0,1,0,0,0|2,1,0]=4 56 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,0,1,0,0,0|2,1,0]=4 57 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,0,1,0,0,0|2,1,0]=4 58 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,0,1,0,0,0|2,0,0]=3 59 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,1,0,0,0|3,0,0]=4 60 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,1,0,0,0|3,0,0]=4 61 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,0,1,0,0,0|3,0,0]=4 62 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,0,1,0,0,0|3,0,0]=4 63 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,0,1,0,0,0|2,0,0]=3 64 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,1,0,0,0|2,0,0]=3 65 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,1,0,0,0|2,0,0]=3 66 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,0,1,0,0,0|2,0,0]=3 67 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,0,1,0,0,0|2,0,0]=3 68 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,1,0,0,0|3,0,0]=4 69 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,1,0,0,0|3,0,0]=4 70 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,1,0,0,0|3,0,0]=4 71 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,1,0,0,0|3,0,0]=4 72 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,1,0,0,0|3,0,0]=4 73 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,0,1,0,0,0|3,0,0]=4 74 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,0,1,0,0,0|3,0,0]=4 75 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,0,1,0,0,0|3,0,0]=4 76 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,0,1,0,0,0|3,0,0]=4 77 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,0,1,0,0,0|3,0,0]=4 78 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,0,1,0,0,0|3,0,0]=4 79 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,0,1,0,0,0|3,0,0]=4 80 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,0,1,0,0,0|3,0,0]=4 81 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,0,1,0,0,0|2,0,0]=3 82 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,0,1,0,0,0|3,0,0]=4 83 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,0,1,0,0,0|3,0,0]=4 84 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,0,1,0,0,0|3,0,0]=4 85 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,0,1,0,0,0|2,0,0]=3 86 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,0,1,0,0,0|3,0,0]=4 87 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,0,1,0,0,0|2,0,1]=4 88 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,0,1,0,0,0|2,0,1]=4 89 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,0,1,0,0,0|2,1,0]=4 90 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,0,1,0,0,0|2,0,1]=4 91 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,0,1,0,0,0|3,0,0]=4 92 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,0,1,0,0,0|2,0,1]=4 93 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,0,1,0,0,0|2,0,1]=4 94 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,0,1,0,0,0|3,0,0]=4 95 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,0,1,0,0,0|2,0,0]=3 96 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,0,1,0,0,0|3,0,0]=4 97 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,0,1,0,0,0|2,0,0]=3 98 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,0,1,0,0,0|3,0,0]=4 99 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,0,1,0,0,0|3,0,0]=4 100 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,0,1,0,0,0|3,0,0]=4 101 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,0,1,0,0,0|3,0,0]=4 102 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,0,1,0,0,0|3,0,0]=4 103 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,0,1,0,0,0|3,0,0]=4 104 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,0,1,0,0,0|3,0,0]=4 105 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,0,1,0,0,0|3,0,0]=4 106 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,1,0,0,0|3,0,0]=4 107 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,1,0,0,0|3,0,0]=4 108 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,1,0,0,0|3,0,0]=4 109 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,1,0,0,0|3,0,0]=4 110 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,1,0,0,0|3,0,0]=4 111 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,0,1,0,0,0|3,0,0]=4 112 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,0,1,0,0,0|3,0,0]=4 113 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,0,1,0,0,0|2,0,1]=4 114 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,0,1,0,0,0|2,0,1]=4 115 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,0,1,0,0,0|2,0,1]=4 116 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,0,1,0,0,0|2,0,0]=3 117 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,0,1,0,0,0|2,0,0]=3 118 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,0,1,0,0,0|2,0,0]=3 119 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,0,1,0,0,0|2,0,0]=3 120 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,0,1,0,0,0|2,0,0]=3 121 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,0,1,0,0,0|2,0,0]=3 122 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,0,1,0,0,0|2,0,0]=3 123 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,0,1,0,0,0|2,0,0]=3 124 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [0,0,1,0,0,0|3,0,0]=4 125 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [0,0,1,0,0,0|3,0,0]=4 126 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [0,0,1,0,0,0|3,0,0]=4 127 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [0,0,1,0,0,0|3,0,0]=4 128 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,0,1,0,0,0|3,0,0]=4 129 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,0,1,0,0,0|3,0,0]=4 130 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,0,1,0,0,0|2,0,0]=3 131 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,0,1,0,0,0|2,0,0]=3 132 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,0,1,0,0,0|2,0,0]=3 133 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,0,1,0,0,0|3,0,0]=4 134 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,0,1,0,0,0|3,0,0]=4 135 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,0,1,0,0,0|3,0,0]=4 136 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,0,1,0,0,0|3,0,0]=4 137 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,0,1,0,0,0|3,0,0]=4 138 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,0,1,0,0,0|3,0,0]=4 139 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,0,1,0,0,0|3,0,0]=4 140 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,0,1,0,0,0|3,0,0]=4 141 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,0,1,0,0,0|3,0,0]=4 142 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,0,1,0,0,0|3,0,0]=4 143 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,0,1,0,0,0|3,0,0]=4 144 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,0,1,0,0,0|3,0,0]=4 145 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,0,1,0,0,0|3,0,0]=4 146 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,0,1,0,0,0|3,0,0]=4 147 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,0,1,0,0,0|3,0,0]=4 148 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,0,1,0,0,0|3,0,0]=4 149 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,0,1,0,0,0|3,0,0]=4 150 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,0,1,0,0,0|3,0,0]=4 151 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,0,1,0,0,0|3,0,0]=4 152 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,0,1,0,0,0|3,0,0]=4 153 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,0,1,0,0,0|3,0,0]=4 154 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,0,1,0,0,0|3,0,0]=4 155 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,0,1,0,0,0|2,0,0]=3 156 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,0,1,0,0,0|3,0,0]=4 157 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,0,1,0,0,0|3,0,0]=4 158 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [0,0,1,0,0,0|2,0,1]=4 159 B6R0.6 C#CCOCCN 34a_100000210304_100000184674 [0,0,1,0,0,0|2,0,1]=4 160 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [0,0,1,0,0,0|2,0,1]=4 161 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,0,1,0,0,0|3,0,0]=4 162 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,0,1,0,0,0|3,0,0]=4 163 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,0,1,0,0,0|3,0,0]=4 164 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,0,1,0,0,0|3,0,0]=4 165 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,0,1,0,0,0|2,0,0]=3 166 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,0,1,0,0,0|3,0,0]=4 167 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,0,1,0,0,0|2,0,0]=3 168 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,0,1,0,0,0|2,0,1]=4 169 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,0,1,0,0,0|2,1,0]=4 170 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,0,1,0,0,0|2,1,0]=4 171 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,0,1,0,0,0|3,0,0]=4 172 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,0,1,0,0,0|1,0,0]=2 173 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [0,0,1,0,0,0|2,0,1]=4 174 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [0,0,1,0,0,0|1,0,2]=4 175 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [0,0,1,0,0,0|3,0,0]=4 176 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,0,1,0,0,0|3,0,0]=4 177 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,0,1,0,0,0|3,0,0]=4 178 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,0,1,0,0,0|2,0,0]=3 179 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,0,1,0,0,0|2,1,0]=4 180 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,0,1,0,0,0|2,1,0]=4 181 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,0,1,0,0,0|2,1,0]=4 182 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,0,1,0,0,0|2,1,0]=4 183 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,0,0,1|3,0,0]=4 184 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,0,0,1|3,0,0]=4 185 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,1,0,0,0|2,0,0]=4 186 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,1,0,0,0|2,0,0]=4 187 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,1,0,0,0|2,0,0]=4 188 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,1,0,0,0|2,0,0]=4 189 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,1,0,0,0|2,0,0]=4 190 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,1,0,0,0|2,0,0]=4 191 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,1,0,0,0|1,0,0]=3 192 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,1,0,0,0|1,0,0]=3 193 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,1,0,0,0|1,0,0]=3 194 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,1,0,0,0|2,0,0]=4 195 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,1,0,0,0|2,0,0]=4 196 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,1,0,0,0|2,0,0]=4 197 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,1,0,0,0|2,0,0]=4 198 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,1,0,0,0|2,0,0]=4 199 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,1,0,0,0|1,0,0]=3 200 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,1,0,0,0|1,0,0]=3 201 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,1,0,0,0|1,0,0]=3 202 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,1,0,0,0|2,0,0]=4 203 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,1,0,0,0|2,0,0]=4 204 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,1,0,0,0|2,0,0]=4 205 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,1,0,0,0|2,0,0]=4 206 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,1,0,0,0|1,0,0]=3 207 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,1,0,0,0|1,0,0]=3 208 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,1,0,0,0|1,0,0]=3 209 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,1,0,0,0|1,0,0]=3 210 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,1,0,0,0|1,0,0]=3 211 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,1,0,0,0|2,0,0]=4 212 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,1,0,0,0|1,0,1]=4 213 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,1,0,0,0|1,1,0]=4 214 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,1,0,0,0|1,1,0]=4 215 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,1,0,0,0|1,1,0]=4 216 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,1,0,0,0|1,1,0]=4 217 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,1,0,0,0|1,0,1]=4 218 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,1,0,0,0|1,0,0]=3 219 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,1,0,0,0|2,0,0]=4 220 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,1,0,0,0|1,1,0]=4 221 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,1,0,0,0|1,1,0]=4 222 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,1,0,0,0|2,0,0]=4 223 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,1,0,0,0|2,0,0]=4 224 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,1,0,0,0|2,0,0]=4 225 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,1,0,0,0|2,0,0]=4 226 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,1,0,0,0|2,0,0]=4 227 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,1,0,0,0|2,0,0]=4 228 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,1,0,0,0|1,0,0]=3 229 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,1,0,0,0|1,0,1]=4 230 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,1,0,0,0|1,1,0]=4 231 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,1,0,0,0|1,1,0]=4 232 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,1,0,0,0|1,0,1]=4 233 B5R0.2 COCCON 34a_100000700252_200000210301 [1,0,1,0,0,0|2,0,0]=4 234 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,0,1,0,0,0|1,0,1]=4 235 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,1,0,0,0|1,0,1]=4 236 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,0,1,0,0,0|2,0,0]=4 237 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,1,0,0,0|2,0,0]=4 238 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,1,0,0,0|2,0,0]=4 239 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,1,0,0,0|1,0,1]=4 240 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,1,0,0,0|1,0,1]=4 241 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,1,0,0,0|1,0,1]=4 242 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,1,0,0,0|2,0,0]=4 243 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,1,0,0,0|2,0,0]=4 244 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,1,0,0,0|1,0,0]=3 245 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,1,0,0,0|1,0,0]=3 246 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 247 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 248 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 249 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,1,0,0,0|1,0,0]=3 250 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,1,0,0,0|1,0,0]=3 251 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,1,0,0,0|2,0,0]=4 252 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,1,0,0,0|2,0,0]=4 253 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,1,0,0,0|2,0,0]=4 254 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,1,0,0,0|1,0,1]=4 255 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,0,1,0,0,0|2,0,0]=4 256 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,1,0,0,0|2,0,0]=4 257 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,1,0,0,0|2,0,0]=4 258 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,1,0,0,0|2,0,0]=4 259 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,0,1,0,0,0|2,0,0]=4 260 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,1,0,0,0|2,0,0]=4 261 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,1,0,0,0|2,0,0]=4 262 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,1,0,0,0|2,0,0]=4 263 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,1,0,0,0|2,0,0]=4 264 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,1,0,0,0|2,0,0]=4 265 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,1,0,0,0|2,0,0]=4 266 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,0,1,0,0,0|2,0,0]=4 267 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,1,1,0,0,0|2,0,0]=4 268 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,1,1,0,0,0|2,0,0]=4 269 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,1,0,0,0|2,0,0]=4 270 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,1,0,0,0|2,0,0]=4 271 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,1,0,0,0|2,0,0]=4 272 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,1,0,0,0|2,0,0]=4 273 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [0,1,1,0,0,0|2,0,0]=4 274 B7R0.3 C=C[C@H](N)COCF 34a_100016989147_100015361967 [0,1,1,0,0,0|2,0,0]=4 275 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,1,1,0,0,0|2,0,0]=4 276 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,1,1,0,0,0|2,0,0]=4 277 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,1,0,0,0|2,0,0]=4 278 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,1,0,0,0|2,0,0]=4 279 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,1,1,0,0,0|2,0,0]=4 280 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,1,0,0,0|2,0,0]=4 281 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,1,0,0,0|2,0,0]=4 282 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,1,0,0,0|2,0,0]=4 283 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,1,0,0,0|2,0,0]=4 284 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,1,0,0,0|2,0,0]=4 285 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,1,0,0,0|2,0,0]=4 286 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,1,0,0,0|2,0,0]=4 287 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,1,0,0,0|2,0,0]=4 288 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,1,0,0,0|2,0,0]=4 289 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,1,0,0,0|2,0,0]=4 290 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,1,0,0,0|2,0,0]=4 291 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,1,0,0,0|2,0,0]=4 292 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,1,1,0,0,0|2,0,0]=4 293 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,1,1,0,0,0|2,0,0]=4 294 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,1,0,0,0|2,0,0]=4 295 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,1,0,0,0|2,0,0]=4 296 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,1,1,0,0,0|2,0,0]=4 297 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [0,1,1,0,0,0|2,0,0]=4 298 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,1,1,0,0,0|2,0,0]=4 299 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,1,1,0,0,0|2,0,0]=4 300 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,1,1,0,0,0|2,0,0]=4 301 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,1,1,0,0,0|2,0,0]=4 302 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,1,1,0,0,0|2,0,0]=4 303 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,1,1,0,0,0|2,0,0]=4 304 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,1,0,0,0|2,0,0]=4 305 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,1,0,0,0|2,0,0]=4 306 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,1,1,0,0,0|1,0,1]=4 307 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,1,0,0,0|2,0,0]=4 308 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,1,0,0,0|2,0,0]=4 309 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,1,0,0,0|2,0,0]=4 310 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,1,1,0,0,0|2,0,0]=4 311 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,1,1,0,0,0|2,0,0]=4 312 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,1,1,0,0,0|2,0,0]=4 313 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,1,1,0,0,0|2,0,0]=4 314 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,1,1,0,0,0|2,0,0]=4 315 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,1,1,0,0,0|2,0,0]=4 316 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,1,1,0,0,0|2,0,0]=4 317 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,1,0,0,0|2,0,0]=4 318 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,1,0,0,0|2,0,0]=4 319 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [0,1,1,0,0,0|1,0,1]=4 320 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,1,1,0,0,0|2,0,0]=4 321 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,1,1,0,0,0|2,0,0]=4 322 B7R0.5 CNNC(=O)C(F)F 22a_100016993582_100000210393 [0,1,1,0,0,0|2,0,0]=4 323 B7R0.5 CNNC(=O)C(O)O 22a_100016993582_100000233687 [0,1,1,0,0,0|2,0,0]=4 324 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,1,1,0,0,0|2,0,0]=4 325 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,1,1,0,0,0|2,0,0]=4 326 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,1,1,0,0,0|2,0,0]=4 327 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,1,1,0,0,0|2,0,0]=4 328 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,1,0,0,0|2,0,0]=4 329 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,1,0,0,0|2,0,0]=4 330 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,1,0,0,0|2,0,0]=4 331 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,1,0,0,0|2,0,0]=4 332 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,1,0,0,0|2,0,0]=4 333 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,1,1,0,0,0|1,0,0]=3 334 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,1,1,0,0,0|1,0,0]=3 335 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,1,1,0,0,0|2,0,0]=4 336 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,1,1,0,0,0|2,0,0]=4 337 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,1,1,0,0,0|2,0,0]=4 338 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,1,0,0,0|2,0,0]=4 339 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,1,0,0,0|2,0,0]=4 340 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,1,0,0,0|2,0,0]=4 341 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,1,1,0,0,0|2,0,0]=4 342 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [0,1,1,0,0,0|2,0,0]=4 343 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [0,1,1,0,0,0|2,0,0]=4 344 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,1,0,0,0|2,0,0]=4 345 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,1,0,0,0|2,0,0]=4 346 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,1,1,0,0,0|2,0,0]=4 347 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,1,0,0,0|2,0,0]=4 348 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,1,0,0,0|2,0,0]=4 349 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,1,0,0,0|2,0,0]=4 350 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,1,1,0,0,0|2,0,0]=4 351 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,1,1,0,0,0|1,0,1]=4 352 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,1,1,0,0,0|2,0,0]=4 353 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,1,1,0,0,0|1,0,0]=3 354 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,1,1,0,0,0|1,0,0]=3 355 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,1,1,0,0,0|1,0,0]=3 356 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,1,1,0,0,0|1,0,0]=3 357 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,1,1,0,0,0|1,0,0]=3 358 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,1,1,0,0,0|2,0,0]=4 359 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,1,1,0,0,0|2,0,0]=4 360 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,1,1,0,0,0|2,0,0]=4 361 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,1,1,0,0,0|2,0,0]=4 362 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,1,1,0,0,0|2,0,0]=4 363 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,1,1,0,0,0|2,0,0]=4 364 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,1,1,0,0,0|2,0,0]=4 365 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,1,1,0,0,0|2,0,0]=4 366 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,1,1,0,0,0|2,0,0]=4 367 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,1,1,0,0,0|2,0,0]=4 368 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,1,1,0,0,0|2,0,0]=4 369 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,1,1,0,0,0|2,0,0]=4 370 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,1,1,0,0,0|2,0,0]=4 371 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,1,1,0,0,0|2,0,0]=4 372 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,1,1,0,0,0|2,0,0]=4 373 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,1,1,0,0,0|2,0,0]=4 374 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,1,1,0,0,0|2,0,0]=4 375 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,1,1,0,0,0|2,0,0]=4 376 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,1,1,0,0,0|2,0,0]=4 377 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,1,1,0,0,0|2,0,0]=4 378 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,1,1,0,0,0|2,0,0]=4 379 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,1,1,0,0,0|2,0,0]=4 380 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,1,1,0,0,0|2,0,0]=4 381 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,1,1,0,0,0|2,0,0]=4 382 B7R0.7 CNNC(=O)CC#N 22a_100016993582_100051588842 [0,1,1,0,0,0|1,0,1]=4 383 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,1,1,0,0,0|2,0,0]=4 384 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,1,1,0,0,0|2,0,0]=4 385 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,1,1,0,0,0|2,0,0]=4 386 B7R0.7 CNNC(=O)NNC 512a_100016993582_100016993582 [0,1,1,0,0,0|2,0,0]=4 387 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,1,1,0,0,0|1,0,1]=4 388 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,1,1,0,0,0|2,0,0]=4 389 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,1,1,0,0,0|2,0,0]=4 390 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,1,1,0,0,0|2,0,0]=4 391 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [0,1,1,0,0,0|2,0,0]=4 392 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,1,0,0,0|2,0,0]=4 393 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,1,0,0,0|2,0,0]=4 394 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,1,0,0,0|2,0,0]=4 395 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,1,0,0,0|2,0,0]=4 396 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,1,0,0,0|2,0,0]=4 397 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,1,0,0,0|2,0,0]=4 398 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,1,0,0,0|2,0,0]=4 399 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,1,1,0,0,0|2,0,0]=4 400 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [0,1,1,0,0,0|2,0,0]=4 401 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,1,1,0,0,0|2,0,0]=4 402 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,1,1,0,0,0|2,0,0]=4 403 B7R0.14 CNC(=O)C(C)(C)C 11a_106832991635_106744555173 [0,1,1,0,0,0|2,0,0]=4 404 B7R0.14 CNC(=O)C(C)(C)C 1626a_100102657272_106744555173 [0,1,1,0,0,0|2,0,0]=4 405 B7R0.14 CNC(=O)C(C)(C)C 240690a_100102657272_106744555173 [0,1,1,0,0,0|2,0,0]=4 406 B7R0.14 CNC(=O)C(C)(C)C 527a_100102657272_106744555173 [0,1,1,0,0,0|2,0,0]=4 407 B7R0.14 CNC(=O)C(C)(C)F 11a_106832991635_100000765255 [0,1,1,0,0,0|2,0,0]=4 408 B7R0.14 CNC(=O)C(C)(C)F 1626a_100102657272_100000765255 [0,1,1,0,0,0|2,0,0]=4 409 B7R0.14 CNC(=O)C(C)(C)F 240690a_100102657272_100000765255 [0,1,1,0,0,0|2,0,0]=4 410 B7R0.14 CNC(=O)C(C)(C)F 527a_100102657272_100000765255 [0,1,1,0,0,0|2,0,0]=4 411 B7R0.14 CNC(=O)C(C)(C)O 240690a_100102657272_100000242741 [0,1,1,0,0,0|2,0,0]=4 412 B7R0.14 CNC(=O)C(C)(F)F 11a_106832991635_100000042251 [0,1,1,0,0,0|2,0,0]=4 413 B7R0.14 CNC(=O)C(C)(F)F 1626a_100102657272_100000042251 [0,1,1,0,0,0|2,0,0]=4 414 B7R0.14 CNC(=O)C(C)(F)F 240690a_100102657272_100000042251 [0,1,1,0,0,0|2,0,0]=4 415 B7R0.14 CNC(=O)C(C)(F)F 527a_100102657272_100000042251 [0,1,1,0,0,0|2,0,0]=4 416 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,1,1,0,0,0|1,0,0]=3 417 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,1,1,0,0,0|1,0,0]=3 418 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,1,1,0,0,0|1,0,0]=3 419 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,1,1,0,0,0|1,0,0]=3 420 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,1,1,0,0,0|1,0,0]=3 421 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,1,1,0,0,0|1,0,0]=3 422 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,1,1,0,0,0|1,0,0]=3 423 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,1,1,0,0,0|2,0,0]=4 424 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,1,1,0,0,0|2,0,0]=4 425 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,1,1,0,0,0|2,0,0]=4 426 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,1,1,0,0,0|2,0,0]=4 427 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,1,1,0,0,0|2,0,0]=4 428 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,1,1,0,0,0|2,0,0]=4 429 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,1,1,0,0,0|2,0,0]=4 430 B7R0.15 CNC(C#N)C(=O)N 2230a_100000039599_200000210301 [0,1,1,0,0,0|1,0,1]=4 431 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,1,1,0,0,0|1,0,0]=3 432 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,1,1,0,0,0|0,0,0]=2 433 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,1,1,0,0,0|0,0,0]=2 434 B7R0.15 [13CH3]NC(C#N)C(=O)N 2230a_100000039599_200025704644 [0,1,1,0,0,0|1,0,1]=4 435 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,1,1,0,0,0|1,0,0]=3 436 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,1,1,0,0,0|0,0,0]=2 437 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,1,1,0,0,0|0,0,0]=2 438 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,1,1,0,0,0|2,0,0]=4 439 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [0,1,1,0,0,0|2,0,0]=4 440 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [0,1,1,0,0,0|2,0,0]=4 441 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [0,1,1,0,0,0|2,0,0]=4 442 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [0,1,1,0,0,0|2,0,0]=4 443 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,1,1,0,0,0|2,0,0]=4 444 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,1,1,0,0,0|2,0,0]=4 445 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [0,1,1,0,0,0|2,0,0]=4 446 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [0,1,1,0,0,0|2,0,0]=4 447 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [0,1,1,0,0,0|2,0,0]=4 448 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [0,1,1,0,0,0|2,0,0]=4 449 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,1,1,0,0,0|2,0,0]=4 450 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,1,1,0,0,0|2,0,0]=4 451 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,1,1,0,0,0|2,0,0]=4 452 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [0,1,1,0,0,0|2,0,0]=4 453 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [0,1,1,0,0,0|2,0,0]=4 454 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [0,1,1,0,0,0|2,0,0]=4 455 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,1,1,0,0,0|2,0,0]=4 456 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,1,1,0,0,0|2,0,0]=4 457 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [0,1,1,0,0,0|2,0,0]=4 458 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [0,1,1,0,0,0|2,0,0]=4 459 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,1,1,0,0,0|2,0,0]=4 460 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,1,1,0,0,0|2,0,0]=4 461 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,1,1,0,0,0|2,0,0]=4 462 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,1,1,0,0,0|2,0,0]=4 463 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,1,1,0,0,0|2,0,0]=4 464 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,1,1,0,0,0|2,0,0]=4 465 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [0,1,1,0,0,0|2,0,0]=4 466 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,1,1,0,0,0|2,0,0]=4 467 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,1,1,0,0,0|2,0,0]=4 468 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [0,1,1,0,0,0|1,0,0]=3 469 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [0,1,1,0,0,0|1,0,0]=3 470 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [0,1,1,0,0,0|2,0,0]=4 471 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [0,1,1,0,0,0|2,0,0]=4 472 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [0,1,1,0,0,0|2,0,0]=4 473 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [0,1,1,0,0,0|2,0,0]=4 474 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [0,1,1,0,0,0|2,0,0]=4 475 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,1,1,0,0,0|2,0,0]=4 476 B7R0.4 C=C(F)COCCN 34a_100000210304_100009893438 [0,1,1,0,0,0|2,0,0]=4 477 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [0,1,1,0,0,0|2,0,0]=4 478 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,1,1,0,0,0|2,0,0]=4 479 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,1,1,0,0,0|2,0,0]=4 480 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,1,1,0,0,0|2,0,0]=4 481 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,1,1,0,0,0|2,0,0]=4 482 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,1,1,0,0,0|2,0,0]=4 483 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,1,1,0,0,0|2,0,0]=4 484 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,1,1,0,0,0|2,0,0]=4 485 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,1,1,0,0,0|2,0,0]=4 486 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,1,1,0,0,0|2,0,0]=4 487 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,1,1,0,0,0|2,0,0]=4 488 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,1,1,0,0,0|2,0,0]=4 489 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,1,1,0,0,0|2,0,0]=4 490 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,1,1,0,0,0|2,0,0]=4 491 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,1,1,0,0,0|2,0,0]=4 492 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,1,1,0,0,0|2,0,0]=4 493 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,1,1,0,0,0|2,0,0]=4 494 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,1,1,0,0,0|2,0,0]=4 495 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,1,1,0,0,0|2,0,0]=4 496 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,1,1,0,0,0|2,0,0]=4 497 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,1,1,0,0,0|2,0,0]=4 498 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,1,1,0,0,0|2,0,0]=4 499 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,1,1,0,0,0|2,0,0]=4 500 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,1,1,0,0,0|2,0,0]=4 501 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,1,1,0,0,0|2,0,0]=4 502 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,1,1,0,0,0|1,0,0]=3 503 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,1,1,0,0,0|2,0,0]=4 504 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,1,1,0,0,0|1,0,0]=3 505 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,1,1,0,0,0|1,0,0]=3 506 B7R0.4 NCCOC[N+](=O)[O-] 34a_100000210304_100000761209 [0,1,1,0,0,0|2,0,0]=4 507 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,1,1,0,0,0|2,0,0]=4 508 B7R0.4 O=CCOCC(F)F 34a_100000743014_200009817547 [0,1,1,0,0,0|2,0,0]=4 509 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,1,1,0,0,0|2,0,0]=4 510 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [1,1,0,0,0,0|1,0,1]=4 511 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [1,1,0,0,0,0|1,0,1]=4 512 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [1,1,0,0,0,0|1,0,1]=4 513 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [1,1,0,0,0,0|1,0,1]=4 514 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [1,1,0,0,0,0|1,0,1]=4 515 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [1,1,0,0,0,0|1,0,1]=4 516 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [1,1,0,0,0,0|1,0,1]=4 517 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [1,1,0,0,0,0|1,0,1]=4 518 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [1,1,0,0,0,0|1,0,1]=4 519 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [1,1,0,0,0,0|1,0,1]=4 520 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,1,0,0,0,0|2,0,0]=4 521 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,1,0,0,0,0|2,0,0]=4 522 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,0,1,0|1,0,0]=3 523 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,0,1,0|1,0,0]=3 524 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,0,1,0|2,0,0]=4 525 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,0,1,0|2,0,0]=4 526 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,0,1,0|2,0,0]=4 527 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,0,1,0|2,0,0]=4 528 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,0,1,0|2,0,0]=4 529 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,0,0,1|1,0,0]=3 530 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,0,0,1|1,0,0]=3 531 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,0,0,1|2,0,0]=4 532 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,0,0,1|1,0,0]=3 533 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,0,0,1|1,0,0]=3 534 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,1,0,0,0,1|1,0,0]=3 538 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,1,0,0,0,1|1,0,0]=3 539 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,1,0,0,0,1|1,0,0]=3 540 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,1,0,0,0,1|1,0,0]=3 541 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,1,0,0,0,1|1,0,0]=3 542 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,1,0,0,0,1|1,0,0]=3 543 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,1,0,0,0,1|1,0,0]=3 544 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,1,0,0,0,1|2,0,0]=4 545 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,1,0,0,0,1|2,0,0]=4 551 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,1,0,0,0,1|1,0,0]=3 552 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,1,0,0,0,1|1,0,0]=3 553 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.22 CNC1CC(=O)NC1=O 2230a_100102712934_200000210301 [0,2,0,0,0,0|1,0,0]=3 559 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,2,0,0,0,0|2,0,0]=4 561 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.22 [13CH3]NC1CC(=O)NC1=O 2230a_100102712934_200025704644 [0,2,0,0,0,0|1,0,0]=3 563 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,2,0,0,0,0|1,0,1]=4 564 B9R1.27 CNC1C(=O)NN=C1C 2230a_106832991635_200009843013 [0,2,0,0,0,0|1,0,1]=4 565 B9R1.27 CNC1C(=O)NN=C1C 7a_106832991635_200009843013 [0,2,0,0,0,0|1,0,1]=4 566 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,2,0,0,0,0|2,0,0]=4 567 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [0,2,0,0,0,0|1,0,0]=3 568 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [0,2,0,0,0,0|1,0,0]=3 569 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,2,0,0,0,0|2,0,0]=4 570 B9R1.33 CCN[C@@H]1CONC1=O 2230a_100000765999_100000210202 [0,2,0,0,0,0|0,0,0]=2 571 B9R1.33 CCN[C@@H]1CONC1=O 34a_100000765999_100000210202 [0,2,0,0,0,0|0,0,0]=2 572 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,2,0,0,0,0|2,0,0]=4 573 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.33 O=C1NCCC1NCF 34a_100016995588_100015361967 [0,2,0,0,0,0|1,0,0]=3 575 B9R1.33 O=C1NCC[C@@H]1OCF 34a_100000688343_100015361967 [0,2,0,0,0,0|2,0,0]=4 576 B9R1.33 O=C1NOC[C@H]1NCF 34a_100000765999_100015361967 [0,2,0,0,0,0|0,0,0]=2 577 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,2,0,0,0,0|2,0,0]=4 578 B9R1.41 CN(C)C1CCCC1=O 2230a_100102631434_100000211823 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.41 CN(C)C1CCCC1=O 269982a_100102631434_100000211823 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_100000755940_200025704644 [0,2,0,0,0,0|2,0,0]=4 583 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_200025704644_100000755940 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.132 CNC1CCN(C1=O)C 2230a_106832991635_100000755940 [0,2,0,0,0,0|1,0,0]=3 585 B9R1.132 CNC1CCN(C1=O)C 34a_100102657272_100000755940 [0,2,0,0,0,0|1,0,0]=3 586 B9R1.132 CNC1CCN(C1=O)C 7a_106832991635_100000755940 [0,2,0,0,0,0|1,0,0]=3 587 B9R1.132 COC1CCN(C1=O)C 34a_100138415774_100000755940 [0,2,0,0,0,0|2,0,0]=4 588 B9R1.132 CSC1CCN(C1=O)C 62a_100000755940_200000210301 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.132 CSC1CCN(C1=O)C 62a_200000210301_100000755940 [0,2,0,0,0,0|2,0,0]=4 590 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,1,1,0,0|2,0,0]=4 591 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,0,1,1,0,0|2,0,0]=4 592 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,1,1,0,0|2,0,0]=4 593 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,1,1,0,0|2,0,0]=4 594 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,1,1,0,0|2,0,0]=4