0 B9R1.69 CC1CCN(CC1O)C 2230a_100000696640_200000210301 [1,0,0,0,0,0|3,0,0]=4 1 B9R1.69 CC1CCN(CC1O)C 269982a_100000696640_200000210301 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.69 CC1CCN(CC1O)[13CH3] 2230a_100000696640_200025704644 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.69 CC1CCN(CC1O)[13CH3] 269982a_100000696640_200025704644 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.69 CC1CN(CCC1O)C 2230a_100011998114_200000210301 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.69 CC1CN(CCC1O)C 269982a_100011998114_200000210301 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.69 CC1CN(CCC1O)[13CH3] 2230a_100011998114_200025704644 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.69 CC1CN(CCC1O)[13CH3] 269982a_100011998114_200025704644 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200000210301 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200000210301 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200000210301 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200000210301 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200025704644 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200025704644 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200025704644 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200025704644 [1,0,0,0,0,0|2,0,0]=3 16 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [0,0,1,0,0,0|1,0,2]=4 17 B9R0.35 CC(CCO)N(C)CCO 2230a_100000210263_100009893172 [0,0,1,0,0,0|3,0,0]=4 18 B9R0.35 CC(CCO)N(C)CCO 2230a_100000731037_100000211926 [0,0,1,0,0,0|3,0,0]=4 19 B9R0.35 CC(CCO)N(C)CCO 269982a_100000210263_100009893172 [0,0,1,0,0,0|3,0,0]=4 20 B9R0.35 CC(CCO)N(C)CCO 269982a_100000731037_100000211926 [0,0,1,0,0,0|3,0,0]=4 21 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [0,0,1,0,0,0|3,0,0]=4 22 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [0,0,1,0,0,0|3,0,0]=4 23 B9R0.35 CCCC(C)C(C)OCF 34a_100000708338_100015361967 [0,0,1,0,0,0|3,0,0]=4 24 B9R0.35 CCCC(C)C(C)OCF 7a_100000708338_100015361967 [0,0,1,0,0,0|3,0,0]=4 25 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,0,1,0,0,0|1,0,2]=4 26 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,0,1,0,0,0|1,0,2]=4 27 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,0,1,0,0,0|1,0,2]=4 28 B9R0.42 CC(C)N(C)CC(O)CO 2230a_100000702902_200000210301 [0,0,1,0,0,0|3,0,0]=4 29 B9R0.42 CC(C)N(C)CC(O)CO 2230a_100011216503_100000210206 [0,0,1,0,0,0|3,0,0]=4 30 B9R0.42 CC(C)N(C)CC(O)CO 269982a_100000702902_200000210301 [0,0,1,0,0,0|3,0,0]=4 31 B9R0.42 CC(C)N(C)CC(O)CO 269982a_100011216503_100000210206 [0,0,1,0,0,0|3,0,0]=4 32 B9R0.42 CC(C)N([13CH3])CC(O)CO 2230a_100000702902_200025704644 [0,0,1,0,0,0|3,0,0]=4 33 B9R0.42 CC(C)N([13CH3])CC(O)CO 269982a_100000702902_200025704644 [0,0,1,0,0,0|3,0,0]=4 34 B9R0.42 CC(CO)NC(C)C(C)C 2230a_100000211541_100012180447 [0,0,1,0,0,0|3,0,0]=4 35 B9R0.42 CC(CO)OC(C)C(C)C 7a_100000748068_100012180447 [0,0,1,0,0,0|2,0,0]=3 36 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [0,0,1,0,0,0|1,0,2]=4 37 B9R0.42 CCC(C)OC(C)C(C)C 7a_100000748068_100000758301 [0,0,1,0,0,0|3,0,0]=4 38 B9R0.42 CCC(O)CC(=O)C(O)O 1458a_100000233687_100011218378 [0,0,1,0,0,0|0,0,2]=3 39 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [0,0,1,0,0,0|1,0,2]=4 40 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [0,0,1,0,0,0|1,0,2]=4 41 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [0,0,1,0,0,0|1,0,2]=4 42 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,0,1,0,0,0|1,0,2]=4 43 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,0,1,0,0,0|1,0,2]=4 44 B9R0.42 C[C@H](CO)NC(=O)[C@@H](C)O 240690a_100000737577_100000717761 [0,0,1,0,0,0|1,0,2]=4 45 B9R0.42 C[C@H](CO)NC(=O)[C@H](C)O 240690a_100000737577_217856618621 [0,0,1,0,0,0|1,0,2]=4 46 B8R0.1 CC(CCCCl)OCF 34a_200000718107_100015361967 [1,0,1,0,0,0|2,0,0]=4 47 B8R0.1 CC(CCCCl)OCF 7a_200000718107_100015361967 [1,0,1,0,0,0|2,0,0]=4 48 B8R0.1 CC(CCO)NCCO 2230a_100016997473_100009893172 [1,0,1,0,0,0|2,0,0]=4 49 B8R0.1 CC(CCO)NCCO 34a_100016990907_100009893172 [1,0,1,0,0,0|2,0,0]=4 50 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [1,0,1,0,0,0|2,0,0]=4 51 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [1,0,1,0,0,0|2,0,0]=4 52 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,0,1,0,0,0|2,0,0]=4 53 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,0,1,0,0,0|2,0,0]=4 54 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,0,1,0,0,0|2,0,0]=4 55 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,0,1,0,0,0|2,0,0]=4 56 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,0,1,0,0,0|2,0,0]=4 57 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,0,1,0,0,0|2,0,0]=4 58 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [1,0,1,0,0,0|2,0,0]=4 59 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [1,0,1,0,0,0|2,0,0]=4 60 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [1,0,1,0,0,0|2,0,0]=4 61 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [1,0,1,0,0,0|2,0,0]=4 62 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [1,0,1,0,0,0|2,0,0]=4 63 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,0,1,0,0,0|0,0,2]=4 64 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [1,0,1,0,0,0|2,0,0]=4 65 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [1,0,1,0,0,0|2,0,0]=4 66 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [1,0,1,0,0,0|2,0,0]=4 67 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [1,0,1,0,0,0|2,0,0]=4 68 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [1,0,1,0,0,0|2,0,0]=4 69 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [1,0,1,0,0,0|2,0,0]=4 70 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [1,0,1,0,0,0|2,0,0]=4 71 B8R0.1 CN(CCO)CCCO 2230a_100000210263_100000230001 [1,0,1,0,0,0|2,0,0]=4 72 B8R0.1 CN(CCO)CCCO 2230a_100000213112_100000211926 [1,0,1,0,0,0|2,0,0]=4 73 B8R0.1 CN(CCO)CCCO 2230a_200000212863_200000210301 [1,0,1,0,0,0|2,0,0]=4 74 B8R0.1 CN(CCO)CCCO 269982a_100000210263_100011215043 [1,0,1,0,0,0|2,0,0]=4 75 B8R0.1 CN(CCO)CCCO 269982a_100000213112_100000211926 [1,0,1,0,0,0|2,0,0]=4 76 B8R0.1 CN(CCO)CCCO 269982a_200000212863_200000210301 [1,0,1,0,0,0|2,0,0]=4 77 B8R0.1 C[C@H](CCO)NCCO 2230a_100000706166_100000211926 [1,0,1,0,0,0|2,0,0]=4 78 B8R0.1 C[C@H](CCO)NCCO 34a_100000706166_100000211926 [1,0,1,0,0,0|2,0,0]=4 79 B8R0.1 [13CH3]N(CCO)CCCO 2230a_200000212863_200025704644 [1,0,1,0,0,0|2,0,0]=4 80 B8R0.1 [13CH3]N(CCO)CCCO 269982a_200000212863_200025704644 [1,0,1,0,0,0|2,0,0]=4 81 B8R0.3 CC(CO)N(C)CCO 2230a_100000210263_100012180447 [1,0,1,0,0,0|2,0,0]=4 82 B8R0.3 CC(CO)N(C)CCO 2230a_100000693034_100000211926 [1,0,1,0,0,0|2,0,0]=4 83 B8R0.3 CC(CO)N(C)CCO 269982a_100000693034_100000211926 [1,0,1,0,0,0|2,0,0]=4 84 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [1,0,1,0,0,0|2,0,0]=4 85 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [1,0,1,0,0,0|0,0,2]=4 86 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [1,0,1,0,0,0|2,0,0]=4 87 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [1,0,1,0,0,0|2,0,0]=4 88 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [1,0,1,0,0,0|2,0,0]=4 89 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [1,0,1,0,0,0|2,0,0]=4 90 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [1,0,1,0,0,0|2,0,0]=4 91 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [1,0,1,0,0,0|0,0,2]=4 92 B8R0.3 COC(C)N(C)CCO 269982a_100000210263_100009879195 [1,0,1,0,0,0|2,0,0]=4 93 B8R0.3 C[C@H](CO)N(C)CCO 269982a_100000210263_100016084084 [1,0,1,0,0,0|2,0,0]=4 94 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [1,0,1,0,0,0|0,0,2]=4 95 B8R0.8 CC(C)C(C)NCCO 2230a_100000211541_100000211926 [1,0,1,0,0,0|2,0,0]=4 96 B8R0.8 CC(C)C(C)OCCF 7a_100000748068_100011217306 [1,0,1,0,0,0|2,0,0]=4 97 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [1,0,1,0,0,0|1,0,0]=3 98 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [1,0,1,0,0,0|0,0,2]=4 99 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [1,0,1,0,0,0|2,0,0]=4 100 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,0,1,0,0,0|0,0,2]=4 101 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,0,1,0,0,0|0,0,2]=4 102 B8R0.9 C#C[C@@H](C)OCC(C)O 34a_100009815206_100011218427 [1,0,1,0,0,0|1,0,1]=4 103 B8R0.9 C#C[C@@H](C)OCC(C)O 7a_100009815206_100011218427 [1,0,1,0,0,0|1,0,1]=4 104 B8R0.9 C#C[C@@H](C)OC[C@@H](C)O 34a_100009815206_100009817552 [1,0,1,0,0,0|1,0,1]=4 105 B8R0.9 C#C[C@@H](C)OC[C@@H](C)O 7a_100009815206_100009817552 [1,0,1,0,0,0|1,0,1]=4 106 B8R0.9 C=C(C)COC(C)CO 34a_100000210245_100012180447 [1,0,1,0,0,0|1,0,1]=4 107 B8R0.9 C=CC(C)OCC(C)O 34a_100000695699_100011218427 [1,0,1,0,0,0|1,0,1]=4 108 B8R0.9 C=CC(C)OC[C@@H](C)O 34a_100000695699_100009817552 [1,0,1,0,0,0|1,0,1]=4 109 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [1,0,1,0,0,0|0,0,2]=4 110 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [1,0,1,0,0,0|1,0,0]=3 111 B8R0.9 CC(C#N)OC[C@@H](C)O 34a_100011218135_100009817552 [1,0,1,0,0,0|1,0,1]=4 112 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [1,0,1,0,0,0|2,0,0]=4 113 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [1,0,1,0,0,0|2,0,0]=4 114 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [1,0,1,0,0,0|2,0,0]=4 115 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [1,0,1,0,0,0|2,0,0]=4 116 B8R0.9 CC(C)COC(C)CF 34a_100016041109_100000210624 [1,0,1,0,0,0|2,0,0]=4 117 B8R0.9 CC(C)COC(C)CF 7a_100016041109_100000210760 [1,0,1,0,0,0|2,0,0]=4 118 B8R0.9 CC(C)COC(C)CN 34a_100000210904_100000210624 [1,0,1,0,0,0|2,0,0]=4 119 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [1,0,1,0,0,0|1,0,0]=3 120 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [1,0,1,0,0,0|1,1,0]=4 121 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [1,0,1,0,0,0|1,1,0]=4 122 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [1,0,1,0,0,0|1,1,0]=4 123 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [1,0,1,0,0,0|2,0,0]=4 124 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [1,0,1,0,0,0|2,0,0]=4 125 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [1,0,1,0,0,0|2,0,0]=4 126 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [1,0,1,0,0,0|2,0,0]=4 127 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [1,0,1,0,0,0|2,0,0]=4 128 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [1,0,1,0,0,0|2,0,0]=4 129 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [1,0,1,0,0,0|2,0,0]=4 130 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [1,0,1,0,0,0|2,0,0]=4 131 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [1,0,1,0,0,0|2,0,0]=4 132 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [1,0,1,0,0,0|2,0,0]=4 133 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [1,0,1,0,0,0|2,0,0]=4 134 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [1,0,1,0,0,0|1,0,0]=3 135 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [1,0,1,0,0,0|1,0,0]=3 136 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [1,0,1,0,0,0|1,0,0]=3 137 B8R0.9 CC(CO)OCC(F)F 34a_100000743014_100012180447 [1,0,1,0,0,0|2,0,0]=4 138 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [1,0,1,0,0,0|1,0,0]=3 139 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [1,0,1,0,0,0|1,0,0]=3 140 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [1,0,1,0,0,0|0,1,0]=3 141 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [1,0,1,0,0,0|1,0,0]=3 142 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,0,1,0,0,0|0,0,2]=4 143 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [1,0,1,0,0,0|1,0,0]=3 144 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [1,0,1,0,0,0|1,0,0]=3 145 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [1,0,1,0,0,0|1,0,0]=3 146 B8R0.9 CC(O)COC(C)C#N 34a_100011218135_100011218427 [1,0,1,0,0,0|1,0,1]=4 147 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [1,0,1,0,0,0|1,0,0]=3 148 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [1,0,1,0,0,0|1,0,0]=3 149 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [1,0,1,0,0,0|1,0,0]=3 150 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [1,0,1,0,0,0|0,1,0]=3 151 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [1,0,1,0,0,0|0,1,0]=3 152 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [1,0,1,0,0,0|0,1,0]=3 153 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [1,0,1,0,0,0|2,0,0]=4 154 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [1,0,1,0,0,0|2,0,0]=4 155 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [1,0,1,0,0,0|2,0,0]=4 156 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [1,0,1,0,0,0|2,0,0]=4 157 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [1,0,1,0,0,0|2,0,0]=4 158 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [1,0,1,0,0,0|2,0,0]=4 159 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [1,0,1,0,0,0|2,0,0]=4 160 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [1,0,1,0,0,0|2,0,0]=4 161 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [1,0,1,0,0,0|1,0,0]=3 162 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [1,0,1,0,0,0|2,0,0]=4 163 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [1,0,1,0,0,0|2,0,0]=4 164 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [1,0,1,0,0,0|1,0,0]=3 165 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [1,0,1,0,0,0|1,1,0]=4 166 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [1,0,1,0,0,0|1,1,0]=4 167 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [1,0,1,0,0,0|1,1,0]=4 168 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [1,0,1,0,0,0|1,1,0]=4 169 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [1,0,1,0,0,0|1,0,0]=3 170 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [1,0,1,0,0,0|0,1,0]=3 171 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [1,0,1,0,0,0|0,1,0]=3 172 B8R0.19 CC(CN)OC(C)CO 34a_100000210904_100012180447 [1,0,1,0,0,0|2,0,0]=4 173 B8R0.19 CC(CO)N[C@H](C)CO 2230a_100000737577_100012180447 [1,0,1,0,0,0|2,0,0]=4 174 B8R0.19 CC(CO)OC(C)CF 34a_100016041109_100012180447 [1,0,1,0,0,0|2,0,0]=4 175 B8R0.19 CC(CO)OC(C)CF 7a_100016041109_100012180447 [1,0,1,0,0,0|2,0,0]=4 176 B8R0.19 CC(CO)S[C@H](C)CO 62a_100012180447_100016084084 [1,0,1,0,0,0|1,1,0]=4 177 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [1,0,1,0,0,0|2,0,0]=4 178 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [1,0,1,0,0,0|2,0,0]=4 179 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [1,0,1,0,0,0|2,0,0]=4 180 B8R0.19 CCC(C)OC(C)CF 34a_100016041109_100011215416 [1,0,1,0,0,0|2,0,0]=4 181 B8R0.19 CCC(C)OC(C)CF 7a_100016041109_100000758301 [1,0,1,0,0,0|2,0,0]=4 182 B8R0.19 CCC(C)OC(C)CN 34a_100000210904_100011215416 [1,0,1,0,0,0|2,0,0]=4 183 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [1,0,1,0,0,0|1,0,0]=3 184 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [1,0,1,0,0,0|1,1,0]=4 185 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [1,0,1,0,0,0|1,1,0]=4 186 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [1,0,1,0,0,0|1,1,0]=4 187 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,0,1,0,0,0|0,0,2]=4 188 B8R0.19 CCN(C)CC(O)CO 2230a_100000225621_100011219619 [1,0,1,0,0,0|2,0,0]=4 189 B8R0.19 CCN(C)CC(O)CO 2230a_100011216503_100000210202 [1,0,1,0,0,0|2,0,0]=4 190 B8R0.19 CCN(C)CC(O)CO 269982a_100011216503_100000204670 [1,0,1,0,0,0|2,0,0]=4 191 B8R0.19 CCN(C)C[C@@H](O)CO 2230a_100000225621_100009815848 [1,0,1,0,0,0|2,0,0]=4 192 B8R0.19 C[C@H](CO)S[C@H](C)CO 62a_100016084084_100016084084 [1,0,1,0,0,0|1,1,0]=4 193 B8R0.23 CC(C)OC(C)C(C)C 7a_100000748068_100000210206 [1,0,1,0,0,0|2,0,0]=4 194 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [1,0,1,0,0,0|0,0,2]=4 195 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [1,0,1,0,0,0|0,0,2]=4 196 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [1,0,1,0,0,0|0,0,2]=4 197 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [2,0,0,0,0,0|2,0,0]=4 205 B10R0.19 CCCC(C)C(C)OCCO 34a_100000708338_100000211926 [0,1,1,0,0,0|2,0,0]=4 206 B10R0.19 CCCC(C)C(C)OCCO 7a_100000708338_100000211926 [0,1,1,0,0,0|2,0,0]=4 207 B10R0.26 CC(CCO)OC(C)C(C)C 7a_100000748068_100009893172 [0,1,1,0,0,0|2,0,0]=4 208 B10R0.26 COCC(C)OC(C)C(C)C 7a_100000748068_100000765312 [0,1,1,0,0,0|2,0,0]=4 209 B10R0.46 C=C[C@@H](C)[C@@H](C)OC(C)CO 34a_100015455354_100012180447 [0,1,1,0,0,0|2,0,0]=4 210 B10R0.46 C=C[C@@H](C)[C@@H](C)OC(C)CO 7a_100015455354_100012180447 [0,1,1,0,0,0|2,0,0]=4 211 B10R0.46 CC(CO)N(C)CC(O)CO 2230a_100000693034_100011219619 [0,1,1,0,0,0|2,0,0]=4 212 B10R0.46 CC(CO)N(C)CC(O)CO 2230a_100011216503_100012180447 [0,1,1,0,0,0|2,0,0]=4 213 B10R0.46 CC(CO)N(C)C[C@@H](O)CO 2230a_100000693034_100009815848 [0,1,1,0,0,0|2,0,0]=4 214 B10R0.46 CCC(C)C(C)OC(C)CO 7a_100011215189_100012180447 [0,1,1,0,0,0|2,0,0]=4 215 B10R0.46 CCC(O)CC(=O)C(O)CO 1458a_100011215603_100011218378 [0,1,1,0,0,0|0,0,2]=4 216 B10R0.46 COC(C)N(C)CC(O)CO 269982a_100011216503_100009879195 [0,1,1,0,0,0|2,0,0]=4 217 B10R0.46 C[C@H](CO)N(C)CC(O)CO 269982a_100011216503_100016084084 [0,1,1,0,0,0|2,0,0]=4 218 B10R0.47 CC(CO)OC(C)(C)C(C)C 7a_100011215261_100012180447 [0,1,1,0,0,0|2,0,0]=4 219 B10R0.52 CC(CO)N[C@@H](C)C(C)(C)O 2230a_100025708725_100012180447 [0,1,1,0,0,0|2,0,0]=4 220 B10R0.52 CC(N[C@H](C)CO)C(C)(C)O 269862a_100000737577_100000747739 [0,1,1,0,0,0|2,0,0]=4 221 B10R0.53 C#CC(OC(C)CO)C(C)C 34a_100011217124_100012180447 [0,1,1,0,0,0|2,0,0]=4 222 B10R0.53 C#CC(OC(C)CO)C(C)C 7a_100011217124_100012180447 [0,1,1,0,0,0|2,0,0]=4 223 B10R0.53 C=CC(OC(C)CO)C(C)C 34a_100000732651_100012180447 [0,1,1,0,0,0|2,0,0]=4 224 B10R0.53 C=CC(OC(C)CO)C(C)C 7a_100000732651_100012180447 [0,1,1,0,0,0|2,0,0]=4 225 B10R0.53 CC(CO)N[C@@H](CO)C(C)C 2230a_100011830312_100012180447 [0,1,1,0,0,0|2,0,0]=4 226 B10R0.53 CC(CO)N[C@@H](CO)C(C)C 34a_100011830312_100012180447 [0,1,1,0,0,0|2,0,0]=4 227 B10R0.53 CC(CO)N[C@H](CO)[C@@H](C)O 2230a_100015196842_100012180447 [0,1,1,0,0,0|1,0,0]=3 228 B10R0.53 CC(CO)N[C@H](CO)[C@@H](C)O 34a_100015196842_100012180447 [0,1,1,0,0,0|1,0,0]=3 229 B10R0.53 CC(CO)OC(C#N)C(C)C 34a_100000748901_100012180447 [0,1,1,0,0,0|2,0,0]=4 230 B10R0.53 CC(CO)OC(C#N)C(C)C 7a_100000748901_100012180447 [0,1,1,0,0,0|2,0,0]=4 231 B10R0.53 CC(CO)OC(CN)C(C)C 34a_100000759067_100012180447 [0,1,1,0,0,0|2,0,0]=4 232 B10R0.53 CCC(C)N[C@H](CO)[C@@H](C)O 2230a_100015196842_100000758301 [0,1,1,0,0,0|2,0,0]=4 233 B10R0.53 CCC(C)N[C@H](CO)[C@@H](C)O 34a_100015196842_100011215416 [0,1,1,0,0,0|2,0,0]=4 234 B10R0.53 CCC(OC(C)CO)C(C)C 34a_100011218073_100012180447 [0,1,1,0,0,0|2,0,0]=4 235 B10R0.53 CCC(OC(C)CO)C(C)C 7a_100011218073_100012180447 [0,1,1,0,0,0|2,0,0]=4 236 B10R0.53 CC[C@H](NC(C)CO)[C@@H](C)O 2230a_100161114882_100012180447 [0,1,1,0,0,0|2,0,0]=4 237 B10R0.53 CC[C@H](NC(C)CO)[C@@H](C)O 34a_100161114882_100012180447 [0,1,1,0,0,0|2,0,0]=4 238 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 34a_100011539931_200025704644 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 7a_100011539931_200025704644 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.25 COC1CCC(CC1C)C 34a_100011539931_200000210301 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.25 COC1CCC(CC1C)C 7a_100011539931_200000210301 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)C 2230a_200015396376_200000210301 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)C 269982a_200015396376_200000210301 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)[13CH3] 2230a_200015396376_200025704644 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)[13CH3] 269982a_200015396376_200025704644 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.30 CC1CCC(C(C1)O[13CH3])C 34a_100011217446_200025704644 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.30 CC1CCC(C(C1)O[13CH3])C 7a_100011217446_200025704644 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.30 COC1CC(CCC1C)C 34a_100011217446_200000210301 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.30 COC1CC(CCC1C)C 7a_100011217446_200000210301 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.176 CC1CCC(CC1C)O[13CH3] 34a_100011215933_200025704644 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.176 CC1CCC(CC1C)O[13CH3] 7a_100011215933_200025704644 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.176 CCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000210202 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.176 CCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000204670 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.176 COC1CCC(C(C1)C)C 34a_100011215933_200000210301 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.176 COC1CCC(C(C1)C)C 7a_100011215933_200000210301 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.176 O[C@@H]1CCN(C[C@@H]1O)CF 269982a_100000690696_100015361967 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.98 CN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 2230a_100011995873_200000210301 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.98 CN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 269982a_100011995873_200000210301 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.98 [13CH3]N1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 2230a_100011995873_200025704644 [0,2,0,0,0,0|2,0,0]=4 260 B12R1.98 [13CH3]N1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 269982a_100011995873_200025704644 [0,2,0,0,0,0|2,0,0]=4 261 B10R1.4 CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210202 [0,0,1,1,0,0|2,0,0]=4 262 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,0,1,1,0,0|2,0,0]=4 263 B10R1.4 CCO[C@H]1COCC[C@H]1N 34a_100016994285_100000210202 [0,0,1,1,0,0|2,0,0]=4 264 B10R1.4 N[C@@H]1CCOC[C@@H]1OCF 34a_100016994285_100015361967 [0,0,1,1,0,0|2,0,0]=4 265 B10R1.134 CC(CO)OC(C)C1CC1 34a_100000744524_100012180447 [0,0,1,1,0,0|2,0,0]=4 266 B10R1.134 CC(CO)OC(C)C1CC1 7a_100000744524_100012180447 [0,0,1,1,0,0|2,0,0]=4 267 B10R1.134 CC(N[C@H](C)CO)C1CO1 270004a_100000737577_100000031964 [0,0,1,1,0,0|2,0,0]=4 268 B10R1.204 CC(C)C(C)OC1COC1 7a_100000748068_100009818527 [0,0,1,1,0,0|2,0,0]=4 269 B10R1.204 O=C(CC1CCO1)C(O)O 1458a_100000233687_100000103362 [0,0,1,1,0,0|0,0,2]=4 270 B10R1.412 CC(CO)N1C[C@@H]([C@@H]1C)O 2230a_206633788156_100012180447 [0,0,1,1,0,0|2,0,0]=4 271 B10R1.412 C[C@H](CO)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_100016084084 [0,0,1,1,0,0|2,0,0]=4 272 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,0,1,0,1,0|0,0,2]=4 273 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,0,1,0,1,0|0,0,2]=4 274 B8R1.18 CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_200000210301 [1,0,0,0,1,0|2,0,0]=4 275 B8R1.18 CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_200000210301 [1,0,0,0,1,0|2,0,0]=4 276 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 2230a_200015306588_200000210301 [1,0,0,0,1,0|2,0,0]=4 277 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 269982a_200015306588_200000210301 [1,0,0,0,1,0|2,0,0]=4 278 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 2230a_200015306588_200025704644 [1,0,0,0,1,0|2,0,0]=4 279 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 269982a_200015306588_200025704644 [1,0,0,0,1,0|2,0,0]=4 280 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)O)O 2230a_100015207562_200025704644 [1,0,0,0,1,0|2,0,0]=4 281 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)O)O 269982a_100015207562_200025704644 [1,0,0,0,1,0|2,0,0]=4 282 B10R0.2 CC(CCO)N[C@H](C)CCO 2230a_100000706166_100009893172 [0,0,1,0,0,1|2,0,0]=4 283 B10R0.2 CC(CCO)N[C@H](C)CCO 34a_100000706166_100009893172 [0,0,1,0,0,1|2,0,0]=4 284 B10R0.2 CC(CCO)SC(C)CCO 62a_100009893172_100009893172 [0,0,1,0,0,1|2,0,0]=4 285 B10R0.44 CC(C)CC(C)OC(C)CO 34a_100000211805_100012180447 [0,0,1,0,0,1|2,0,0]=4 286 B10R0.44 CC(C)CC(C)OC(C)CO 7a_100000211805_100012180447 [0,0,1,0,0,1|2,0,0]=4 287 B10R0.44 CC(O)CN(C)CC(O)CO 2230a_100000227577_100011219619 [0,0,1,0,0,1|2,0,0]=4 288 B10R0.44 CC(O)CN(C)CC(O)CO 2230a_100011216503_100011218427 [0,0,1,0,0,1|2,0,0]=4 289 B10R0.44 CC(O)CN(C)CC(O)CO 269982a_100011216503_100011218427 [0,0,1,0,0,1|2,0,0]=4 290 B10R0.44 CC(O)CN(C)C[C@@H](O)CO 2230a_100000227577_100009815848 [0,0,1,0,0,1|2,0,0]=4 291 B10R0.44 C[C@@H](O)CN(C)CC(O)CO 2230a_100011216503_100009817552 [0,0,1,0,0,1|2,0,0]=4 292 B10R0.44 C[C@@H](O)CN(C)CC(O)CO 269982a_100011216503_100009817552 [0,0,1,0,0,1|2,0,0]=4 293 B10R0.82 CC(=O)C(C)OCC(O)CO 34a_100000212229_100011219619 [0,0,1,0,0,1|0,0,2]=4 294 B10R0.82 CC(=O)C(C)OC[C@@H](O)CO 34a_100000212229_100009815848 [0,0,1,0,0,1|0,0,2]=4 295 B10R0.82 CC(C)C(C)NCC(O)CO 2230a_100000211541_100011219619 [0,0,1,0,0,1|2,0,0]=4 296 B10R0.82 CC(C)C(C)NC[C@@H](O)CO 2230a_100000211541_100009815848 [0,0,1,0,0,1|2,0,0]=4 297 B10R0.82 CC(C)C(C)OCC(O)CO 7a_100000748068_100011219619 [0,0,1,0,0,1|1,0,0]=3 298 B10R0.82 CC(C)C(C)OC[C@@H](C)CO 7a_100000748068_100000059175 [0,0,1,0,0,1|2,0,0]=4 299 B10R0.82 CC(C)C(C)OC[C@@H](O)CF 7a_100000748068_100015614560 [0,0,1,0,0,1|2,0,0]=4 300 B10R0.82 CC(C)C(C)OC[C@@H](O)CO 7a_100000748068_100009815848 [0,0,1,0,0,1|1,0,0]=3 301 B10R0.82 CC(CO)NCC(O)C(C)C 2230a_100000759067_100012180447 [0,0,1,0,0,1|2,0,0]=4 302 B10R0.82 CC(CO)NCC(O)C(C)C 34a_100000759067_100012180447 [0,0,1,0,0,1|2,0,0]=4 303 B10R0.82 CC(CO)OC[C@H](N)C(C)C 34a_100011830312_100012180447 [0,0,1,0,0,1|2,0,0]=4 304 B10R0.82 CCC(O)CNC(=O)C(O)O 240690a_100011218483_100000233687 [0,0,1,0,0,1|0,0,2]=4 305 B10R0.82 CCC(O)COC(C)C(C)C 7a_100000748068_100011218378 [0,0,1,0,0,1|2,0,0]=4 306 B10R0.82 C[C@@H](O)C(=O)NC[C@H](O)CO 240690a_100020644852_100000717761 [0,0,1,0,0,1|0,0,2]=4 307 B10R0.82 C[C@H](O)C(=O)NC[C@H](O)CO 240690a_100020644852_217856618621 [0,0,1,0,0,1|0,0,2]=4