0 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,0,0,0,0,0|4,0,0]=4 25 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,0,0,0,0,0|4,0,0]=4 30 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,0,0,0,0,0|4,0,0]=4 31 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,0,0,0,0,0|4,0,0]=4 33 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,0,0,0,0,0|4,0,0]=4 34 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,0,0,0,0,0|4,0,0]=4 35 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,0,0,0,0,0|4,0,0]=4 36 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,0,0,0,0,0|4,0,0]=4 42 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,0,0,0,0,0|4,0,0]=4 43 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,0,0,0,0,0|2,0,1]=3 44 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,0,0,0,0,0|2,0,1]=3 46 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,0,0,0,0,0|1,0,2]=3 48 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|1,0,2]=4 49 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|0,0,2]=3 50 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|0,0,2]=3 51 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|1,0,2]=4 67 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|3,0,0]=4 73 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,0,0,0,0|3,0,0]=4 81 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,0,0,0,0|3,0,0]=4 91 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,0,0,0,0|3,0,0]=4 93 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,0,0,0,0|3,0,0]=4 94 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,0,0,0,0|3,0,0]=4 95 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,0,0,0,0|3,0,0]=4 96 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,0,0,0,0|2,0,0]=3 97 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,0,0,0,0|2,0,0]=3 98 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,0,0,0,0|2,0,0]=3 100 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,0,0,0,0|2,0,0]=3 101 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,0,0,0,0|2,0,0]=3 102 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,0,0,0,0|2,0,0]=3 103 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,0,0,0,0,0|3,0,0]=4 105 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,0,0,0,0|3,0,0]=4 106 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,0,0,0,0|3,0,0]=4 107 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,0,0,0,0,0|3,0,0]=4 108 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,0,0,0,0|2,0,0]=3 109 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,0,0,0,0,0|3,0,0]=4 110 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,0,0,0,0|3,0,0]=4 111 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,0,0,0,0|2,0,0]=3 112 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,0,0,0,0|3,0,0]=4 113 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,0,0,0,0|3,0,0]=4 114 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,0,0,0,0|2,0,0]=3 118 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,0,0,0,0,0|3,0,0]=4 119 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,0,0,0,0|3,0,0]=4 120 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,0,0,0,0|2,0,0]=3 121 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,0,0,0,0|2,0,0]=3 122 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|0,0,2]=3 123 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,0,0,0,0|3,0,0]=4 124 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,0,0,0,0|3,0,0]=4 125 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|3,0,0]=4 126 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,0,0,0,0,0|2,0,0]=3 127 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|1,0,1]=3 130 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|3,0,0]=4 131 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|3,0,0]=4 132 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|3,0,0]=4 133 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|3,0,0]=4 134 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|3,0,0]=4 136 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|3,0,0]=4 137 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|3,0,0]=4 138 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|3,0,0]=4 139 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|3,0,0]=4 140 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|3,0,0]=4 141 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|3,0,0]=4 142 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|3,0,0]=4 143 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|3,0,0]=4 144 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|3,0,0]=4 145 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|3,0,0]=4 146 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|3,0,0]=4 147 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,0,0,0,0,0|3,0,0]=4 148 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|3,0,0]=4 149 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|3,0,0]=4 150 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|3,0,0]=4 151 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,0,0,0,0|2,0,1]=4 152 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,0,0,0,0,0|2,0,0]=3 154 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,0,0,0,0,0|2,0,0]=3 155 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,0,0,0,0,0|2,0,0]=3 156 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,0,0,0,0,0|2,0,0]=3 157 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,0,0,0,0|3,0,0]=4 158 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,0,0,0,0|3,0,0]=4 159 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,0,0,0,0|3,0,0]=4 160 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,0,0,0,0|2,0,0]=3 161 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,0,0,0,0,0|2,0,0]=3 162 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,0,0,0,0,0|2,0,0]=3 163 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,0,0,0,0,0|2,0,0]=3 164 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,0,0,0,0,0|2,0,0]=3 165 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,0,0,0,0,0|2,0,0]=3 166 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,0,0,0,0,0|2,0,0]=3 167 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,0,0,0,0,0|2,0,1]=4 168 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,0,0,0,0|1,0,2]=4 169 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,0,0,0,0|1,0,2]=4 170 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,0,0,0,0|1,0,2]=4 171 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,0,0,0,0,0|1,0,2]=4 172 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,0,0,0,0|1,0,1]=3 173 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,0,0,0,0|1,0,1]=3 174 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,0,0,0,0|1,0,2]=4 175 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,0,0,0,0,0|3,0,0]=4 176 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,0,0,0,0,0|3,0,0]=4 177 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,0,0,0,0,0|3,0,0]=4 178 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,0,0,0,0,0|3,0,0]=4 179 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,0,0,0,0|1,0,2]=4 180 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,0,0,0,0|1,0,1]=3 181 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,0,0,0,0|1,0,1]=3 182 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,0,0,0,0,0|1,0,2]=4 183 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [0,1,0,0,0,0|2,0,1]=4 184 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,1,0,0,0,0|2,0,1]=4 187 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,0,0,0,0|1,0,2]=4 188 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,0,0,0,0|1,0,2]=4 189 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,0,0,0,0|1,0,2]=4 190 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,1,0,0,0,0|3,0,0]=4 193 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [0,1,0,0,0,0|3,0,0]=4 194 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [0,1,0,0,0,0|3,0,0]=4 195 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [0,1,0,0,0,0|3,0,0]=4 196 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [0,1,0,0,0,0|3,0,0]=4 197 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [0,1,0,0,0,0|3,0,0]=4 198 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [0,1,0,0,0,0|3,0,0]=4 199 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [0,1,0,0,0,0|3,0,0]=4 200 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [0,1,0,0,0,0|3,0,0]=4 201 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [0,1,0,0,0,0|3,0,0]=4 202 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,1,0,0,0,0|1,0,0]=2 203 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [0,1,0,0,0,0|3,0,0]=4 204 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [0,1,0,0,0,0|3,0,0]=4 205 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [0,1,0,0,0,0|3,0,0]=4 206 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [0,1,0,0,0,0|3,0,0]=4 207 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [0,1,0,0,0,0|3,0,0]=4 208 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [0,1,0,0,0,0|3,0,0]=4 209 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,1,0,0,0,0|2,0,1]=4 210 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,0,0,0,0|2,0,1]=4 211 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,0,0,0,0|2,0,1]=4 213 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,1,0,0,0,0|3,0,0]=4 215 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,1,0,0,0,0|3,0,0]=4 216 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [0,1,0,0,0,0|3,0,0]=4 217 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [0,1,0,0,0,0|3,0,0]=4 218 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,0,0,0,0|1,0,2]=4 221 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,0,0,0,0|1,0,2]=4 222 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,0,0,0,0|1,0,2]=4 223 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,0,0,0,0|1,0,2]=4 224 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,0,0,0,0|1,0,2]=4 225 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,1,0,0,0,0|3,0,0]=4 226 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,1,0,0,0,0|3,0,0]=4 227 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,1,0,0,0,0|3,0,0]=4 228 B7R0.5 COCN(C)C(C)C 269982a_200000211004_100000766300 [0,1,0,0,0,0|3,0,0]=4 229 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|1,0,2]=4 230 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,1,0,0,0,0|1,0,0]=2 231 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,1,0,0,0,0|2,0,1]=4 233 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,1,0,0,0,0|1,0,1]=3 234 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,1,0,0,0,0|1,0,1]=3 237 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,1,0,0,0,0|2,0,1]=4 238 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|1,0,2]=4 239 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [0,1,0,0,0,0|2,0,1]=4 240 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,1,0,0,0,0|2,0,1]=4 241 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,1,0,0,0,0|2,0,1]=4 242 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,1,0,0,0,0|2,0,1]=4 243 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,1,0,0,0,0|2,0,1]=4 244 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [0,1,0,0,0,0|2,0,1]=4 245 B7R0.10 CC(CO)N(C)CF 269982a_100000693034_100015361967 [0,1,0,0,0,0|3,0,0]=4 246 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,0,0,0,0|1,0,2]=4 249 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,1,0,0,0,0|3,0,0]=4 251 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,1,0,0,0,0|3,0,0]=4 252 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,1,0,0,0,0|2,0,0]=3 253 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,1,0,0,0,0|2,0,0]=3 254 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,0,0,0,0|2,0,1]=4 255 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [0,1,0,0,0,0|3,0,0]=4 256 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [0,1,0,0,0,0|3,0,0]=4 257 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [0,1,0,0,0,0|3,0,0]=4 258 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [0,1,0,0,0,0|3,0,0]=4 259 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [0,1,0,0,0,0|3,0,0]=4 260 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [0,1,0,0,0,0|3,0,0]=4 261 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [0,1,0,0,0,0|3,0,0]=4 262 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [0,1,0,0,0,0|3,0,0]=4 263 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [0,1,0,0,0,0|3,0,0]=4 264 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,1,0,0,0,0|1,0,2]=4 265 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,1,0,0,0,0|2,0,1]=4 266 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,1,0,0,0,0|1,0,2]=4 267 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,1,0,0,0,0|1,0,2]=4 268 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,1,0,0,0,0|1,0,2]=4 269 B7R0.13 CN(C)C(C)(C)CO 269982a_100015204102_200000210301 [0,1,0,0,0,0|3,0,0]=4 270 B7R0.13 CN([13CH3])C(C)(C)CO 269982a_100015204102_200025704644 [0,1,0,0,0,0|3,0,0]=4 271 B7R0.14 CC(C)(O)C(=O)CF 1458a_100000242741_100015361967 [0,1,0,0,0,0|2,0,1]=4 272 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [0,1,0,0,0,0|2,0,1]=4 273 B7R0.14 CNC(C)C(C)(C)O 269862a_106832991636_100000747739 [0,1,0,0,0,0|3,0,0]=4 274 B7R0.14 CN[C@@H](C)C(C)(C)O 2230a_100025708725_200000210301 [0,1,0,0,0,0|3,0,0]=4 275 B7R0.14 C[C@H](N[13CH3])C(C)(C)O 2230a_100025708725_200025704644 [0,1,0,0,0,0|3,0,0]=4 276 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [0,1,0,0,0,0|3,0,0]=4 277 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [0,1,0,0,0,0|1,0,0]=2 278 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [0,1,0,0,0,0|1,0,0]=2 279 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [0,1,0,0,0,0|2,0,0]=3 280 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,1,0,0,0,0|3,0,0]=4 281 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,1,0,0,0,0|3,0,0]=4 282 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,1,0,0,0,0|3,0,0]=4 283 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,1,0,0,0,0|3,0,0]=4 284 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,1,0,0,0,0|2,0,1]=4 286 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,1,0,0,0,0|1,0,0]=2 287 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,1,0,0,0,0|1,0,0]=2 288 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,1,0,0,0,0|1,0,0]=2 289 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,1,0,0,0,0|1,0,0]=2 290 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,1,0,0,0,0|1,0,1]=3 291 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,1,0,0,0,0|1,0,2]=4 292 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|1,0,2]=4 293 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [0,1,0,0,0,0|1,0,0]=2 294 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [0,1,0,0,0,0|1,0,0]=2 295 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,1,0,0,0,0|0,0,0]=1 296 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,1,0,0,0,0|0,0,0]=1 297 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [0,1,0,0,0,0|3,0,0]=4 298 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,1,0,0,0,0|0,0,0]=1 299 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,1,0,0,0,0|0,0,0]=1 300 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,1,0,0,0,0|1,0,1]=3 301 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,1,0,0,0,0|1,0,2]=4 302 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|1,0,2]=4 303 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,1,0,0,0,0|2,0,1]=4 304 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,1,0,0,0,0|2,0,1]=4 305 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,1,0,0,0,0|2,0,1]=4 306 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,0,0,1,0,0|3,0,0]=4 307 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,0,0,1,0,0|3,0,0]=4 308 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,0,0,1,0,0|3,0,0]=4 309 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,0,0,1,0,0|3,0,0]=4 310 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,0,1,0,0|1,0,2]=4 311 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,0,1,0,0|1,0,2]=4 312 B7R1.18 CN(C)C1COC1 2230a_100102693430_200000210301 [0,0,0,1,0,0|3,0,0]=4 313 B7R1.18 CN(C)C1COC1 269982a_100102631434_100000687716 [0,0,0,1,0,0|3,0,0]=4 314 B7R1.18 CN(C)C1COC1 269982a_100102693430_200000210301 [0,0,0,1,0,0|3,0,0]=4 315 B7R1.18 CN([13CH3])C1COC1 2230a_100102693430_200025704644 [0,0,0,1,0,0|3,0,0]=4 316 B7R1.18 CN([13CH3])C1COC1 269982a_100102693430_200025704644 [0,0,0,1,0,0|3,0,0]=4 317 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,0,1,0,0|1,0,2]=4 318 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,0,1,0,0|2,0,1]=4 319 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,0,0,1,0,0|3,0,0]=4 320 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,0,0,1,0,0|2,0,1]=4 321 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,0,0,0,0,1|1,0,2]=4 322 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,0,0,0,0,1|1,0,2]=4 323 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,0,0,0,0,1|1,0,2]=4 324 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,0,0,0,0,1|2,0,1]=4 325 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,0,0,0,0,1|2,0,1]=4 326 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,0,0,0,0,1|2,0,1]=4 327 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,0,0,0,0,1|2,0,0]=3 328 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,0,0,0,0,1|2,0,0]=3 329 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,0,0,0,0,1|2,0,0]=3 330 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,0,0,0,0,1|3,0,0]=4 331 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,0,0,0,0,1|3,0,0]=4 332 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,0,0,0,0,1|3,0,0]=4 333 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,0,0,0,0,1|2,0,0]=3 334 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,0,0,0,0,1|2,0,0]=3 335 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,0,0,0,0,1|2,0,0]=3 336 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,0,0,0,0,1|2,0,0]=3 337 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,0,0,0,0,1|1,0,1]=3 338 B7R0.2 CC(O)CN(C)CF 269982a_100000227577_100015361967 [0,0,0,0,0,1|3,0,0]=4 339 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,0,0,0,0,1|2,0,1]=4 340 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,0,0,0,0,1|2,0,1]=4 341 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,0,0,0,0,1|3,0,0]=4 342 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,0,0,0,0,1|3,0,0]=4 343 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,0,0,0,0,1|3,0,0]=4 344 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,0,0,0,0,1|3,0,0]=4 345 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,0,0,0,0,1|3,0,0]=4 346 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,0,0,0,0,1|3,0,0]=4 347 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,0,0,0,0,1|3,0,0]=4 348 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,0,0,0,0,1|3,0,0]=4 349 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,0,0,0,0,1|3,0,0]=4 350 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,0,0,0,0,1|3,0,0]=4 351 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,0,0,0,0,1|3,0,0]=4 352 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,0,0,0,0,1|3,0,0]=4 353 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,0,0,0,0,1|3,0,0]=4 354 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,0,0,0,0,1|3,0,0]=4 355 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,0,0,0,0,1|3,0,0]=4 356 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,0,0,0,0,1|3,0,0]=4 357 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,0,0,0,0,1|3,0,0]=4 358 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [0,0,0,0,0,1|3,0,0]=4 359 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [0,0,0,0,0,1|3,0,0]=4 360 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [0,0,0,0,0,1|3,0,0]=4 361 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [0,0,0,0,0,1|3,0,0]=4 362 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [0,0,0,0,0,1|3,0,0]=4 363 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [0,0,0,0,0,1|3,0,0]=4 364 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [0,0,0,0,0,1|3,0,0]=4 365 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [0,0,0,0,0,1|3,0,0]=4 366 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,0,0,0,0,1|2,0,1]=4 367 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|0,0,2]=4 368 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [2,0,0,0,0,0|2,0,0]=4 369 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [2,0,0,0,0,0|2,0,0]=4 370 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|2,0,0]=4 371 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [2,0,0,0,0,0|2,0,0]=4 372 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [2,0,0,0,0,0|2,0,0]=4 373 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,2]=4 374 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,2]=4 375 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,2]=4 376 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|2,0,0]=4 377 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|2,0,0]=4 378 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|2,0,0]=4 379 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|2,0,0]=4 380 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|2,0,0]=4 381 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|2,0,0]=4 382 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [2,0,0,0,0,0|2,0,0]=4 383 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [2,0,0,0,0,0|2,0,0]=4 384 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [2,0,0,0,0,0|2,0,0]=4 385 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [2,0,0,0,0,0|2,0,0]=4 386 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [2,0,0,0,0,0|2,0,0]=4 387 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|2,0,0]=4 388 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|2,0,0]=4 389 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [2,0,0,0,0,0|2,0,0]=4 390 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [2,0,0,0,0,0|2,0,0]=4 391 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|0,0,2]=4 392 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|2,0,0]=4 393 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|2,0,0]=4 394 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|2,0,0]=4 395 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|2,0,0]=4 396 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|2,0,0]=4 397 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|2,0,0]=4 398 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|2,0,0]=4 399 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|2,0,0]=4 400 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|2,0,0]=4 401 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|2,0,0]=4 402 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|2,0,0]=4 403 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|2,0,0]=4 404 B4R0.2 CCOCF 34a_100121572206_100015361967 [2,0,0,0,0,0|2,0,0]=4 405 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|2,0,0]=4 406 B4R0.2 CCSCF 62a_100000210202_100015361967 [2,0,0,0,0,0|2,0,0]=4 407 B4R0.2 CCSCF 62a_100015361967_100000210202 [2,0,0,0,0,0|2,0,0]=4 408 B4R0.2 CNCCF 2230a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 409 B4R0.2 CNCCF 34a_100000724931_200000210301 [2,0,0,0,0,0|2,0,0]=4 410 B4R0.2 CNCCF 34a_100102657272_100011217306 [2,0,0,0,0,0|2,0,0]=4 411 B4R0.2 CNCCF 7a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 412 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|1,0,0]=3 413 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|1,0,0]=3 414 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|1,0,0]=3 415 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|1,0,0]=3 416 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|1,0,0]=3 417 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|2,0,0]=4 418 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|2,0,0]=4 419 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|2,0,0]=4 420 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|1,0,0]=3 421 B4R0.2 CSCCF 62a_100011217306_200000210301 [2,0,0,0,0,0|2,0,0]=4 422 B4R0.2 CSCCF 62a_200000210301_100011217306 [2,0,0,0,0,0|2,0,0]=4 423 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|1,0,0]=3 424 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|1,0,0]=3 425 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [2,0,0,0,0,0|2,0,0]=4 426 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|1,0,0]=3 427 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|1,0,0]=3 428 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|2,0,0]=4 429 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|2,0,0]=4 430 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [2,0,0,0,0,0|2,0,0]=4 431 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [2,0,0,0,0,0|2,0,0]=4 432 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|1,0,0]=3 433 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|1,0,0]=3 434 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [1,1,0,0,0,0|1,0,1]=4 435 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [1,1,0,0,0,0|1,0,1]=4 436 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [1,1,0,0,0,0|1,0,1]=4 437 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [1,1,0,0,0,0|1,0,1]=4 438 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [1,1,0,0,0,0|1,0,1]=4 439 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [1,1,0,0,0,0|1,0,1]=4 440 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [1,1,0,0,0,0|1,0,1]=4 441 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [1,1,0,0,0,0|1,0,1]=4 442 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,1,0,0,0,0|1,0,0]=3 443 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,1,0,0,0,0|0,1,0]=3 444 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,1,0,0,0,0|0,1,0]=3 445 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,1,0,0,0,0|2,0,0]=4 446 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [1,1,0,0,0,0|2,0,0]=4 447 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,1,0,0,0,0|0,0,2]=4 448 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,1,0,0,0,0|0,0,2]=4 449 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,1,0,0,0,0|2,0,0]=4 450 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,1,0,0,0,0|2,0,0]=4 451 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,1,0,0,0,0|2,0,0]=4 452 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,1,0,0,0,0|2,0,0]=4 453 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,1,0,0,0,0|2,0,0]=4 454 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,1,0,0,0,0|2,0,0]=4 455 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,1,0,0,0,0|2,0,0]=4 456 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,1,0,0,0,0|2,0,0]=4 457 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,1,0,0,0,0|2,0,0]=4 458 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,1,0,0,0,0|2,0,0]=4 459 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,1,0,0,0,0|2,0,0]=4 460 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,1,0,0,0,0|2,0,0]=4 461 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,1,0,0,0,0|2,0,0]=4 462 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,1,0,0,0,0|2,0,0]=4 463 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,1,0,0,0,0|2,0,0]=4 464 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,1,0,0,0,0|2,0,0]=4 465 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,1,0,0,0,0|1,0,0]=3 466 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,1,0,0,0,0|1,0,0]=3 467 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,1,0,0,0,0|1,0,0]=3 468 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,1,0,0,0,0|1,0,0]=3 469 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,1,0,0,0,0|1,0,0]=3 470 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,1,0,0,0,0|1,1,0]=4 471 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,1,0,0,0,0|1,1,0]=4 472 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,1,0,0,0,0|1,1,0]=4 473 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,1,0,0,0,0|1,1,0]=4 474 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,1,0,0,0,0|2,0,0]=4 475 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,1,0,0,0,0|2,0,0]=4 476 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,1,0,0,0,0|2,0,0]=4 477 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,1,0,0,0,0|2,0,0]=4 478 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,1,0,0,0,0|2,0,0]=4 479 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,1,0,0,0,0|2,0,0]=4 480 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,1,0,0,0,0|2,0,0]=4 481 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,1,0,0,0,0|2,0,0]=4 482 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,1,0,0,0,0|2,0,0]=4 483 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,1,0,0,0,0|2,0,0]=4 484 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,1,0,0,0,0|2,0,0]=4 485 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,1,0,0,0,0|2,0,0]=4 486 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,1,0,0,0,0|2,0,0]=4 487 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,1,0,0,0,0|2,0,0]=4 488 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,1,0,0,0,0|2,0,0]=4 489 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,1,0,0,0,0|2,0,0]=4 490 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [1,1,0,0,0,0|2,0,0]=4 491 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,1,0,0,0,0|0,0,2]=4 492 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,1,0,0,0,0|1,0,0]=3 493 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,1,0,0,0,0|1,0,0]=3 494 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,1,0,0,0,0|1,0,0]=3 495 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,1,0,0,0,0|2,0,0]=4 496 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [1,1,0,0,0,0|2,0,0]=4 497 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [1,1,0,0,0,0|2,0,0]=4 498 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [1,1,0,0,0,0|2,0,0]=4 499 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,1,0,0,0,0|2,0,0]=4 500 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,1,0,0,0,0|2,0,0]=4 501 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,1,0,0,0,0|2,0,0]=4 502 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,1,0,0,0,0|2,0,0]=4 503 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [1,1,0,0,0,0|2,0,0]=4 504 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [1,1,0,0,0,0|2,0,0]=4 505 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [1,1,0,0,0,0|2,0,0]=4 506 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [1,1,0,0,0,0|2,0,0]=4 507 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [1,1,0,0,0,0|2,0,0]=4 508 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [1,1,0,0,0,0|2,0,0]=4 509 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [1,1,0,0,0,0|2,0,0]=4 510 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,1,0,0,0,0|1,0,0]=3 511 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,1,0,0,0,0|1,0,0]=3 512 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,1,0,0,0,0|1,0,0]=3 513 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,1,0,0,0,0|0,0,0]=2 514 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,1,0,0,0,0|2,0,0]=4 515 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [1,1,0,0,0,0|2,0,0]=4 516 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [1,1,0,0,0,0|2,0,0]=4 517 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,1,0,0,0,0|2,0,0]=4 518 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,1,0,0,0,0|2,0,0]=4 519 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [1,1,0,0,0,0|2,0,0]=4 520 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,1,0,0,0,0|2,0,0]=4 521 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,1,0,0,0,0|2,0,0]=4 522 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,1,0,0,0,0|2,0,0]=4 523 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [1,1,0,0,0,0|2,0,0]=4 524 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [1,1,0,0,0,0|2,0,0]=4 525 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,1,0,0,0,0|2,0,0]=4 526 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,1,0,0,0,0|0,1,0]=3 527 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,1,0,0,0,0|0,1,0]=3 528 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,1,0,0,0,0|2,0,0]=4 529 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,1,0,0,0,0|2,0,0]=4 530 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,1,0,0,0,0|2,0,0]=4 531 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,1,0,0,0,0|2,0,0]=4 532 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [1,1,0,0,0,0|2,0,0]=4 533 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [1,1,0,0,0,0|2,0,0]=4 534 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,1,0,0,0,0|2,0,0]=4 535 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,1,0,0,0,0|2,0,0]=4 536 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,1,0,0,0,0|2,0,0]=4 537 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,1,0,0,0,0|2,0,0]=4 538 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,1,0,0,0,0|1,0,0]=3 539 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|1,0,0]=3 540 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [1,1,0,0,0,0|2,0,0]=4 541 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [1,1,0,0,0,0|2,0,0]=4 542 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,1,0,0,0,0|0,0,2]=4 543 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,1,0,0,0,0|0,0,2]=4 544 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [1,1,0,0,0,0|2,0,0]=4 545 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,1,0,0,0,0|2,0,0]=4 546 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,1,0,0,0,0|2,0,0]=4 547 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [1,1,0,0,0,0|2,0,0]=4 548 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [1,1,0,0,0,0|2,0,0]=4 549 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,1,0,0,0,0|2,0,0]=4 550 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,1,0,0,0,0|2,0,0]=4 551 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|0,0,2]=4 552 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|0,0,2]=4 553 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [1,1,0,0,0,0|2,0,0]=4 554 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [1,1,0,0,0,0|2,0,0]=4 555 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [1,1,0,0,0,0|2,0,0]=4 556 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [1,1,0,0,0,0|2,0,0]=4 557 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [1,1,0,0,0,0|2,0,0]=4 558 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [1,1,0,0,0,0|2,0,0]=4 559 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|0,0,2]=4 560 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [1,1,0,0,0,0|2,0,0]=4 561 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [1,1,0,0,0,0|2,0,0]=4 562 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|1,0,1]=4 563 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|1,0,1]=4 564 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|1,0,1]=4 565 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|0,0,2]=4 566 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|0,0,2]=4 567 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|0,0,2]=4 568 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|0,0,2]=4 569 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|0,0,2]=4 570 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,1,0,0,0,0|1,0,0]=3 571 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [1,1,0,0,0,0|2,0,0]=4 572 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,1,0,0,0,0|1,0,0]=3 573 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,1,0,0,0,0|1,0,0]=3 574 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,1,0,0,0,0|1,1,0]=4 575 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,1,0,0,0,0|1,1,0]=4 576 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,1,0,0,0,0|2,0,0]=4 577 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,1,0,0,0,0|2,0,0]=4 578 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,1,0,0,0,0|2,0,0]=4 579 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,1,0,0,0,0|2,0,0]=4 580 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,1,0,0,0,0|2,0,0]=4 581 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,1,0,0,0,0|2,0,0]=4 582 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,1,0,0,0,0|2,0,0]=4 583 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,1,0,0,0,0|1,0,0]=3 584 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,1,0,0,0,0|1,0,0]=3 585 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,1,0,0,0,0|1,0,0]=3 586 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,1,0,0,0,0|1,0,0]=3 587 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,1,0,0,0,0|2,0,0]=4 588 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,1,0,0,0,0|2,0,0]=4 589 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,1,0,0,0,0|2,0,0]=4 590 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,1,0,0,0,0|1,0,0]=3 591 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,1,0,0,0,0|2,0,0]=4 592 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,1,0,0,0,0|2,0,0]=4 593 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,1,0,0,0,0|1,0,0]=3 594 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,1,0,0,0,0|1,0,0]=3 595 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [1,1,0,0,0,0|2,0,0]=4 596 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,1,0,0,0,0|1,0,0]=3 597 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,1,0,0,0,0|0,1,0]=3 598 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,1,0,0,0,0|0,1,0]=3 599 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [1,1,0,0,0,0|1,0,0]=3 600 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [1,1,0,0,0,0|1,0,0]=3 601 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [1,1,0,0,0,0|1,0,0]=3 602 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,1,0,0,0,0|2,0,0]=4 603 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,1,0,0,0,0|2,0,0]=4 604 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,1,0,0,0,0|2,0,0]=4 605 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,1,0,0,0,0|2,0,0]=4 606 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,1,0,0,0,0|2,0,0]=4 607 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,1,0,0,0,0|2,0,0]=4 608 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,1,0,0,0,0|2,0,0]=4 609 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,1,0,0,0,0|2,0,0]=4 610 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,1,0,0,0,0|2,0,0]=4 611 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,1,0,0,0,0|2,0,0]=4 612 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,1,0,0,0,0|1,0,0]=3 613 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,1,0,0,0,0|1,0,0]=3 614 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,1,0,0,0,0|1,0,0]=3 615 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,1,0,0,0,0|1,0,0]=3 616 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,1,0,0,0,0|2,0,0]=4 617 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,1,0,0,0,0|2,0,0]=4 618 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,1,0,0,0,0|2,0,0]=4 619 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,1,0,0,0,0|2,0,0]=4 620 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,1,0,0,0,0|1,0,0]=3 621 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,1,0,0,0,0|2,0,0]=4 622 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,1,0,0,0,0|2,0,0]=4 623 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,1,0,0,0,0|1,0,0]=3 624 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,1,0,0,0,0|2,0,0]=4 625 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,1,0,0,0,0|2,0,0]=4 626 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,1,0,0,0,0|1,0,0]=3 627 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,1,0,0,0,0|1,0,0]=3 628 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,1,0,0,0,0|1,0,0]=3 629 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,1,0,0,0,0|1,0,0]=3 630 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,1,0,0,0,0|2,0,0]=4 631 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,1,0,0,0,0|2,0,0]=4 632 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,1,0,0,0,0|2,0,0]=4 633 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,1,0,0,0,0|2,0,0]=4 634 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,1,0,0,0,0|2,0,0]=4 635 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,1,0,0,0,0|2,0,0]=4 636 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,1,0,0,0,0|2,0,0]=4 637 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,1,0,0,0,0|2,0,0]=4 638 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,1,0,0,0,0|2,0,0]=4 639 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,1,0,0,0,0|2,0,0]=4 640 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,1,0,0,0,0|1,0,0]=3 641 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,1,0,0,0,0|1,0,0]=3 642 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,1,0,0,0,0|1,0,0]=3 643 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,1,0,0,0,0|1,0,0]=3 644 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|0,0,2]=4 645 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|0,0,2]=4 646 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|0,0,2]=4 647 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|0,0,2]=4 648 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|0,0,2]=4 649 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,1,0,0,0,0|1,0,0]=3 650 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,1,0,0,0,0|1,0,0]=3 651 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,1,0,0,0,0|1,0,0]=3 652 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,1,0,0,0,0|1,0,0]=3 653 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,1,0,0,0,0|0,0,0]=2 654 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [1,1,0,0,0,0|2,0,0]=4 655 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,1,0,0,0,0|2,0,0]=4 656 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,1,0,0,0,0|2,0,0]=4 657 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,1,0,0,0,0|2,0,0]=4 658 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,1,0,0,0,0|2,0,0]=4 659 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,1,0,0,0,0|2,0,0]=4 660 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,1,0,0,0,0|2,0,0]=4 661 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,1,0,0,0,0|1,0,0]=3 662 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,1,0,0,0,0|2,0,0]=4 663 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,1,0,0,0,0|2,0,0]=4 664 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,1,0,0,0,0|2,0,0]=4 665 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,1,0,0,0,0|2,0,0]=4 666 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,1,0,0,0,0|1,1,0]=4 667 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,1,0,0,0,0|1,1,0]=4 668 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,1,0,0,0,0|0,1,0]=3 669 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,1,0,0,0,0|0,1,0]=3 670 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [1,1,0,0,0,0|2,0,0]=4 671 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|1,0,0]=3 672 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [1,1,0,0,0,0|2,0,0]=4 673 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [1,1,0,0,0,0|1,0,0]=3 674 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [1,1,0,0,0,0|1,0,0]=3 675 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [1,1,0,0,0,0|2,0,0]=4 676 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [1,1,0,0,0,0|2,0,0]=4 677 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [1,1,0,0,0,0|2,0,0]=4 678 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [1,1,0,0,0,0|2,0,0]=4 679 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [1,1,0,0,0,0|2,0,0]=4 680 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [1,1,0,0,0,0|2,0,0]=4 681 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [1,1,0,0,0,0|2,0,0]=4 682 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [1,1,0,0,0,0|2,0,0]=4 683 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [1,1,0,0,0,0|2,0,0]=4 684 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [1,1,0,0,0,0|2,0,0]=4 685 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [1,1,0,0,0,0|2,0,0]=4 686 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [1,1,0,0,0,0|2,0,0]=4 687 B6R0.8 CSC(F)(F)CO 62a_100011217949_200000210301 [1,1,0,0,0,0|2,0,0]=4 688 B6R0.8 CSC(F)(F)CO 62a_200000210301_100011217949 [1,1,0,0,0,0|2,0,0]=4 689 B6R0.8 [13CH3]SC(F)(F)CO 62a_100011217949_200025704644 [1,1,0,0,0,0|2,0,0]=4 690 B6R0.8 [13CH3]SC(F)(F)CO 62a_200025704644_100011217949 [1,1,0,0,0,0|2,0,0]=4 691 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [1,1,0,0,0,0|0,0,2]=4 692 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [1,1,0,0,0,0|0,0,2]=4 693 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [1,1,0,0,0,0|0,0,2]=4 694 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [1,1,0,0,0,0|0,0,2]=4 695 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [1,1,0,0,0,0|1,0,0]=3 696 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [1,1,0,0,0,0|1,0,0]=3 697 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [1,1,0,0,0,0|1,0,0]=3 698 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [1,1,0,0,0,0|1,0,0]=3 699 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,1,0,0,0,0|2,0,0]=4 700 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,1,0,0,0,0|2,0,0]=4 701 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [1,1,0,0,0,0|2,0,0]=4 702 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [1,1,0,0,0,0|2,0,0]=4 703 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [1,1,0,0,0,0|2,0,0]=4 704 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [1,1,0,0,0,0|2,0,0]=4 705 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [1,1,0,0,0,0|0,0,0]=2 706 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [1,1,0,0,0,0|0,0,0]=2 707 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [1,1,0,0,0,0|0,0,0]=2 708 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [1,1,0,0,0,0|2,0,0]=4 709 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [1,1,0,0,0,0|0,0,0]=2 710 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [1,1,0,0,0,0|2,0,0]=4 711 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [1,1,0,0,0,0|1,0,1]=4 712 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [1,1,0,0,0,0|1,0,1]=4 713 B8R0.2 CC(C)C(=O)C(O)CO 1458a_100011215603_100000210206 [0,1,0,0,0,1|2,0,0]=4 714 B8R0.2 CC(C)N(C)C(C)CO 2230a_100000693034_100000210206 [0,1,0,0,0,1|2,0,0]=4 715 B8R0.2 CC(C)N(C)C(C)CO 269982a_100000693034_100000210206 [0,1,0,0,0,1|2,0,0]=4 716 B8R0.2 CC(C)N(C)[C@H](C)CO 269982a_200000211004_100016084084 [0,1,0,0,0,1|2,0,0]=4 717 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,1,0,0,0,1|2,0,0]=4 718 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,1,0,0,0,1|2,0,0]=4 719 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [0,1,0,0,0,1|1,0,0]=3 720 B8R0.5 CC(C)NC(C)CCO 2230a_100138425928_100009893172 [0,1,0,0,0,1|2,0,0]=4 721 B8R0.5 CC(C)NC(C)CCO 34a_100138425928_100009893172 [0,1,0,0,0,1|2,0,0]=4 722 B8R0.5 CC(C)N[C@H](C)CCO 2230a_100000706166_100000210206 [0,1,0,0,0,1|2,0,0]=4 723 B8R0.5 CC(C)N[C@H](C)CCO 34a_100000706166_100000210206 [0,1,0,0,0,1|2,0,0]=4 724 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [0,1,0,0,0,1|2,0,0]=4 725 B8R0.5 CC(C)SC(C)CCO 62a_100000210206_100009893172 [0,1,0,0,0,1|2,0,0]=4 726 B8R0.5 CC(C)SC(C)CCO 62a_100009893172_100000210206 [0,1,0,0,0,1|2,0,0]=4 727 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,1,0,0,0,1|1,0,1]=4 728 B8R0.5 CC(O)CN(C)CCO 2230a_100000210263_100011218427 [0,1,0,0,0,1|2,0,0]=4 729 B8R0.5 CC(O)CN(C)CCO 2230a_100000227577_100000211926 [0,1,0,0,0,1|2,0,0]=4 730 B8R0.5 CC(O)CN(C)CCO 2230a_100000731851_200000210301 [0,1,0,0,0,1|2,0,0]=4 731 B8R0.5 CC(O)CN(C)CCO 269982a_100000210263_100011218427 [0,1,0,0,0,1|2,0,0]=4 732 B8R0.5 CC(O)CN(C)CCO 269982a_100000227577_100000211926 [0,1,0,0,0,1|2,0,0]=4 733 B8R0.5 CC(O)CN(C)CCO 269982a_100000731851_200000210301 [0,1,0,0,0,1|2,0,0]=4 734 B8R0.5 CC(O)CN([13CH3])CCO 2230a_100000731851_200025704644 [0,1,0,0,0,1|2,0,0]=4 735 B8R0.5 CC(O)CN([13CH3])CCO 269982a_100000731851_200025704644 [0,1,0,0,0,1|2,0,0]=4 736 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,1,0,0,0,1|1,0,1]=4 737 B8R0.5 COCC(C)NC(C)C 2230a_100138425928_100000765312 [0,1,0,0,0,1|2,0,0]=4 738 B8R0.5 COCC(C)NC(C)C 34a_100138425928_100000765312 [0,1,0,0,0,1|2,0,0]=4 739 B8R0.5 COCC(C)OC(C)C 34a_100000212225_100000765312 [0,1,0,0,0,1|2,0,0]=4 740 B8R0.5 COCC(C)SC(C)C 62a_100000210206_100000765312 [0,1,0,0,0,1|2,0,0]=4 741 B8R0.5 COCC(C)SC(C)C 62a_100000765312_100000210206 [0,1,0,0,0,1|2,0,0]=4 742 B8R0.5 COCN(C)CC(C)O 2230a_100000227577_100000766300 [0,1,0,0,0,1|2,0,0]=4 743 B8R0.5 COCN(C)CC(C)O 269982a_100000227577_100000766300 [0,1,0,0,0,1|2,0,0]=4 744 B8R0.5 COC[C@@H](C)NC(C)C 2230a_100000764878_100000210206 [0,1,0,0,0,1|2,0,0]=4 745 B8R0.5 COC[C@@H](C)OC(C)C 34a_100011934205_100000210206 [0,1,0,0,0,1|2,0,0]=4 746 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [0,1,0,0,0,1|1,0,0]=3 747 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,1,0,0,0,1|1,0,1]=4 748 B8R0.5 C[C@@H](O)CN(C)CCO 2230a_100000210263_100009817552 [0,1,0,0,0,1|2,0,0]=4 749 B8R0.5 C[C@@H](O)CN(C)CCO 269982a_100000210263_100009817552 [0,1,0,0,0,1|2,0,0]=4 750 B8R0.16 C=C[C@@H](CO)NC(C)C 2230a_100016989147_100000210206 [0,1,0,0,0,1|2,0,0]=4 751 B8R0.16 C=C[C@@H](CO)NC(C)C 34a_100016989147_100000210206 [0,1,0,0,0,1|2,0,0]=4 752 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 2230a_100011830311_200025704644 [0,1,0,0,0,1|1,0,0]=3 753 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 34a_100011830311_200025704644 [0,1,0,0,0,1|1,0,0]=3 754 B8R0.16 CC(C)NC(CO)CO 2230a_100000759517_100000210206 [0,1,0,0,0,1|2,0,0]=4 755 B8R0.16 CC(C)OC(CN)CN 34a_100000031598_100000210206 [0,1,0,0,0,1|2,0,0]=4 756 B8R0.16 CC[C@@H](CO)NC(C)C 2230a_100000709445_100000210206 [0,1,0,0,0,1|2,0,0]=4 757 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,1,0,0,0,1|1,0,1]=4 758 B8R0.16 CN[C@H](CO)CC(C)C 2230a_100011830311_200000210301 [0,1,0,0,0,1|1,0,0]=3 759 B8R0.16 CN[C@H](CO)CC(C)C 34a_100011830311_200000210301 [0,1,0,0,0,1|1,0,0]=3 760 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,1,0,0,0,1|1,0,1]=4 761 B8R0.19 C#CC(C)NC(C)CO 2230a_100000707721_100012180447 [0,1,0,0,0,1|2,0,0]=4 762 B8R0.19 C#CC(C)NC(C)CO 34a_100000707721_100012180447 [0,1,0,0,0,1|2,0,0]=4 763 B8R0.19 C#CC(C)S[C@H](C)CO 62a_200000035995_100016084084 [0,1,0,0,0,1|2,0,0]=4 764 B8R0.19 C#C[C@@H](C)OC(C)CO 34a_100009815206_100012180447 [0,1,0,0,0,1|2,0,0]=4 765 B8R0.19 C#C[C@@H](C)OC(C)CO 7a_100009815206_100012180447 [0,1,0,0,0,1|2,0,0]=4 766 B8R0.19 C=CC(C)OC(C)CO 34a_100000695699_100012180447 [0,1,0,0,0,1|2,0,0]=4 767 B8R0.19 C=CC(C)S[C@H](C)CO 62a_100011215867_100016084084 [0,1,0,0,0,1|2,0,0]=4 768 B8R0.19 CC(C#N)NC(C)CO 2230a_100000737613_100012180447 [0,1,0,0,0,1|2,0,0]=4 769 B8R0.19 CC(C#N)N[C@H](C)CO 2230a_100000737577_100000184139 [0,1,0,0,0,1|2,0,0]=4 770 B8R0.19 CC(C#N)OC(C)CO 34a_100011218135_100012180447 [0,1,0,0,0,1|2,0,0]=4 771 B8R0.19 CC(C#N)SC(C)CO 62a_100012180447_100000703298 [0,1,0,0,0,1|2,0,0]=4 772 B8R0.19 CC(C#N)S[C@H](C)CO 62a_100000703298_100016084084 [0,1,0,0,0,1|2,0,0]=4 773 B8R0.19 CC(C#N)S[C@H](C)CO 62a_100016084084_100000703298 [0,1,0,0,0,1|2,0,0]=4 774 B8R0.19 CC(CN)OC(C)CO 34a_100000210904_100012180447 [0,1,0,0,0,1|2,0,0]=4 775 B8R0.19 CC(CO)N[C@H](C)CO 2230a_100000737577_100012180447 [0,1,0,0,0,1|1,0,0]=3 776 B8R0.19 CC(CO)OC(C)CF 34a_100016041109_100012180447 [0,1,0,0,0,1|2,0,0]=4 777 B8R0.19 CC(CO)OC(C)CF 7a_100016041109_100012180447 [0,1,0,0,0,1|2,0,0]=4 778 B8R0.19 CC(CO)S[C@H](C)CO 62a_100012180447_100016084084 [0,1,0,0,0,1|1,0,0]=3 779 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [0,1,0,0,0,1|2,0,0]=4 780 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [0,1,0,0,0,1|2,0,0]=4 781 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,1,0,0,0,1|2,0,0]=4 782 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [0,1,0,0,0,1|2,0,0]=4 783 B8R0.19 CCC(C)SC(C)OC 62a_100000758301_100009879195 [0,1,0,0,0,1|2,0,0]=4 784 B8R0.19 CCC(C)SC(C)OC 62a_100009879195_100000758301 [0,1,0,0,0,1|2,0,0]=4 785 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [0,1,0,0,0,1|2,0,0]=4 786 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [0,1,0,0,0,1|2,0,0]=4 787 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,0,0,0,1|1,0,1]=4 788 B8R0.19 COC(C)SC(C)CO 62a_100012180447_100009879195 [0,1,0,0,0,1|1,0,0]=3 789 B8R0.19 COC(C)S[C@H](C)CO 62a_100009879195_100016084084 [0,1,0,0,0,1|1,0,0]=3 790 B8R0.19 COC(C)S[C@H](C)CO 62a_100016084084_100009879195 [0,1,0,0,0,1|1,0,0]=3 791 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,1,0,0,0,1|1,0,1]=4 792 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,1,0,0,0,1|1,0,1]=4 793 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,1,0,0,0,1|1,0,1]=4 794 B8R0.19 C[C@H](CO)S[C@H](C)CO 62a_100016084084_100016084084 [0,1,0,0,0,1|1,0,0]=3 795 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [0,1,0,0,0,1|1,0,1]=4 796 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,1,0,0,0,1|1,0,1]=4 797 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,1,0,0,0,1|1,0,1]=4 798 B8R0.24 CC(CO)NC(C)(C)C 2230a_100000715429_100012180447 [0,1,0,0,0,1|2,0,0]=4 799 B8R0.24 CC(CO)OC(C)(C)C 34a_100015890283_100012180447 [0,1,0,0,0,1|2,0,0]=4 800 B8R0.24 CC(CO)OC(C)(C)C 7a_100015890283_100012180447 [0,1,0,0,0,1|2,0,0]=4 801 B8R0.24 CC(CO)SC(C)(C)C 62a_100012180447_100000211941 [0,1,0,0,0,1|2,0,0]=4 802 B8R0.24 C[C@H](CO)SC(C)(C)C 62a_100000211941_100016084084 [0,1,0,0,0,1|2,0,0]=4 803 B8R0.24 C[C@H](CO)SC(C)(C)C 62a_100016084084_100000211941 [0,1,0,0,0,1|2,0,0]=4 804 B8R0.34 CC(C)NC(C)(C)CO 2230a_100000210608_100000210206 [0,1,0,0,0,1|2,0,0]=4 805 B8R0.34 CC(C)SC(F)(F)CO 62a_100000210206_100011217949 [0,1,0,0,0,1|2,0,0]=4 806 B8R0.34 CC(C)SC(F)(F)CO 62a_100011217949_100000210206 [0,1,0,0,0,1|2,0,0]=4 807 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,2,0,0,0,0|1,0,1]=4 808 B8R0.3 CC(CO)N(C)CCO 2230a_100000210263_100012180447 [0,2,0,0,0,0|2,0,0]=4 809 B8R0.3 CC(CO)N(C)CCO 2230a_100000693034_100000211926 [0,2,0,0,0,0|2,0,0]=4 810 B8R0.3 CC(CO)N(C)CCO 269982a_100000693034_100000211926 [0,2,0,0,0,0|2,0,0]=4 811 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [0,2,0,0,0,0|2,0,0]=4 812 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,2,0,0,0,0|1,0,1]=4 813 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,2,0,0,0,0|2,0,0]=4 814 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,2,0,0,0,0|2,0,0]=4 815 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,2,0,0,0,0|2,0,0]=4 816 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,2,0,0,0,0|2,0,0]=4 817 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,2,0,0,0,0|2,0,0]=4 818 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|0,0,2]=4 819 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,2,0,0,0,0|1,0,1]=4 820 B8R0.3 COC(C)N(C)CCO 269982a_100000210263_100009879195 [0,2,0,0,0,0|2,0,0]=4 821 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,2,0,0,0,0|1,0,1]=4 822 B8R0.3 COCN(C)C(C)CO 2230a_100000693034_100000766300 [0,2,0,0,0,0|2,0,0]=4 823 B8R0.3 COCN(C)C(C)CO 269982a_100000693034_100000766300 [0,2,0,0,0,0|2,0,0]=4 824 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|0,0,2]=4 825 B8R0.3 C[C@H](CO)N(C)CCO 269982a_100000210263_100016084084 [0,2,0,0,0,0|2,0,0]=4 826 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,2,0,0,0,0|1,0,1]=4 827 B8R0.8 CC(C)C(C)NCCO 2230a_100000211541_100000211926 [0,2,0,0,0,0|2,0,0]=4 828 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [0,2,0,0,0,0|2,0,0]=4 829 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [0,2,0,0,0,0|1,0,0]=3 830 B8R0.8 CC(C)[C@@H](N)COCF 34a_100011830312_100015361967 [0,2,0,0,0,0|1,0,0]=3 831 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,2,0,0,0,0|1,0,0]=3 832 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,2,0,0,0,0|1,0,1]=4 833 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,2,0,0,0,0|1,0,1]=4 834 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [0,2,0,0,0,0|1,0,0]=3 835 B8R0.8 COCNC(C)C(C)C 2230a_100000211541_100000766300 [0,2,0,0,0,0|2,0,0]=4 836 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,2,0,0,0,0|1,0,1]=4 837 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,2,0,0,0,0|1,0,1]=4 838 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,2,0,0,0,0|1,0,1]=4 839 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,2,0,0,0,0|1,0,1]=4 840 B8R0.14 CC(C)(O)C(=O)CCO 1458a_100000242741_100000211926 [0,2,0,0,0,0|1,0,1]=4 841 B8R0.14 CCNC(C)C(C)(C)O 269862a_100015525214_100000747739 [0,2,0,0,0,0|2,0,0]=4 842 B8R0.14 CCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210202 [0,2,0,0,0,0|2,0,0]=4 843 B8R0.15 CC(C)C(CCO)N[13CH3] 2230a_100161115045_200025704644 [0,2,0,0,0,0|1,0,0]=3 844 B8R0.15 CC(C)C(CCO)N[13CH3] 34a_100161115045_200025704644 [0,2,0,0,0,0|1,0,0]=3 845 B8R0.15 CC(C)C(CN)CO[13CH3] 34a_100000692819_200025704644 [0,2,0,0,0,0|1,0,0]=3 846 B8R0.15 CC(C)C(CN)OCF 34a_100000759067_100015361967 [0,2,0,0,0,0|2,0,0]=4 847 B8R0.15 CC(C)C(CO)CN[13CH3] 34a_100000692819_200025704644 [0,2,0,0,0,0|1,0,0]=3 848 B8R0.15 CC(C)[C@H](CO)NCF 34a_100011830312_100015361967 [0,2,0,0,0,0|1,0,0]=3 849 B8R0.15 CCC(CNC)C(C)C 269862a_106832991636_100011214906 [0,2,0,0,0,0|2,0,0]=4 850 B8R0.15 CCC(COC)C(C)C 34a_100011995916_200000210301 [0,2,0,0,0,0|2,0,0]=4 851 B8R0.15 CCC(COC)C(C)C 7a_100011995916_200000210301 [0,2,0,0,0,0|2,0,0]=4 852 B8R0.15 CCC(CO[13CH3])C(C)C 34a_100011995916_200025704644 [0,2,0,0,0,0|2,0,0]=4 853 B8R0.15 CCC(CO[13CH3])C(C)C 7a_100011995916_200025704644 [0,2,0,0,0,0|2,0,0]=4 854 B8R0.15 CCNC(CC)C(C)C 270004a_100015525214_100000210600 [0,2,0,0,0,0|2,0,0]=4 855 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,2,0,0,0,0|1,0,1]=4 856 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210202 [0,2,0,0,0,0|1,0,0]=3 857 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210202 [0,2,0,0,0,0|1,0,0]=3 858 B8R0.15 CCN[C@@H](CO)C(C)C 2230a_100011830312_100000210202 [0,2,0,0,0,0|1,0,0]=3 859 B8R0.15 CCN[C@@H](CO)C(C)C 34a_100011830312_100000210202 [0,2,0,0,0,0|1,0,0]=3 860 B8R0.15 CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210202 [0,2,0,0,0,0|0,0,0]=2 861 B8R0.15 CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210202 [0,2,0,0,0,0|0,0,0]=2 862 B8R0.15 CCOC(CN)C(C)C 34a_100000759067_100000210202 [0,2,0,0,0,0|2,0,0]=4 863 B8R0.15 CC[C@H](NCF)[C@@H](C)O 34a_100161114882_100015361967 [0,2,0,0,0,0|1,0,0]=3 864 B8R0.15 CNC(CCO)C(C)C 2230a_100161115045_200000210301 [0,2,0,0,0,0|1,0,0]=3 865 B8R0.15 CNC(CCO)C(C)C 34a_100161115045_200000210301 [0,2,0,0,0,0|1,0,0]=3 866 B8R0.15 CNC(COC)C(C)C 2230a_100000760233_200000210301 [0,2,0,0,0,0|1,0,0]=3 867 B8R0.15 CNCC(CO)C(C)C 34a_100000692819_200000210301 [0,2,0,0,0,0|1,0,0]=3 868 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,2,0,0,0,0|1,0,1]=4 869 B8R0.15 COCC(CN)C(C)C 34a_100000692819_200000210301 [0,2,0,0,0,0|1,0,0]=3 870 B8R0.15 COCC(N[13CH3])C(C)C 2230a_100000760233_200025704644 [0,2,0,0,0,0|1,0,0]=3 871 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,2,0,0,0,0|1,0,1]=4 872 B8R0.15 C[C@@H](O)[C@@H](CO)NCF 34a_100015196842_100015361967 [0,2,0,0,0,0|0,0,0]=2 873 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,2,0,0,0,0|1,0,1]=4 874 B8R0.20 CC[C@H](C)[C@@H](CO)NC 2230a_100011827617_200000210301 [0,2,0,0,0,0|1,0,0]=3 875 B8R0.20 CC[C@H](C)[C@@H](CO)N[13CH3] 2230a_100011827617_200025704644 [0,2,0,0,0,0|1,0,0]=3 876 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [0,2,0,0,0,0|0,0,2]=4 877 B8R0.26 CC(C)(C)[C@@H](CO)N[13CH3] 2230a_100000763378_200025704644 [0,2,0,0,0,0|1,0,0]=3 878 B8R0.26 CNC(CO)C(F)(F)F 34a_100102657272_100009817051 [0,2,0,0,0,0|2,0,0]=4 879 B8R0.26 CN[C@H](CO)C(C)(C)C 2230a_100000763378_200000210301 [0,2,0,0,0,0|1,0,0]=3 880 B8R0.18 CC(C)C(N[13CH3])C(C)C 2230a_100000690608_200025704644 [0,2,0,0,0,0|2,0,0]=4 881 B8R0.18 CC(C)C(N[13CH3])C(C)C 34a_100000690608_200025704644 [0,2,0,0,0,0|2,0,0]=4 882 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,2,0,0,0,0|1,0,1]=4 883 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,2,0,0,0,0|0,0,1]=3 884 B8R0.18 CCC(C(C)C)N(C)C 270004a_100102631434_100000210600 [0,2,0,0,0,0|2,0,0]=4 885 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,2,0,0,0,0|1,0,1]=4 886 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,2,0,0,0,0|1,0,1]=4 887 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,2,0,0,0,0|0,0,1]=3 888 B8R0.18 CNC(C(C)C)C(C)C 2230a_100000690608_200000210301 [0,2,0,0,0,0|2,0,0]=4 889 B8R0.18 CNC(C(C)C)C(C)C 34a_100000690608_200000210301 [0,2,0,0,0,0|2,0,0]=4 890 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,2,0,0,0,0|1,0,1]=4 891 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [0,2,0,0,0,0|0,0,2]=4 892 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [0,2,0,0,0,0|0,0,2]=4 893 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [1,0,0,1,0,0|2,0,0]=4 894 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [1,0,0,1,0,0|2,0,0]=4 895 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [1,0,0,1,0,0|2,0,0]=4 896 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [1,0,0,1,0,0|2,0,0]=4 897 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [1,0,0,1,0,0|2,0,0]=4 898 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [1,0,0,1,0,0|2,0,0]=4 899 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [1,0,0,1,0,0|2,0,0]=4 900 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [1,0,0,1,0,0|2,0,0]=4 901 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [1,0,0,1,0,0|2,0,0]=4 902 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [1,0,0,1,0,0|2,0,0]=4 903 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [1,0,0,1,0,0|2,0,0]=4 904 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [1,0,0,1,0,0|2,0,0]=4 905 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [1,0,0,1,0,0|2,0,0]=4 906 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [1,0,0,1,0,0|2,0,0]=4 907 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [1,0,0,1,0,0|2,0,0]=4 908 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [1,0,0,1,0,0|2,0,0]=4 909 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [1,0,0,1,0,0|2,0,0]=4 910 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|0,0,2]=4 911 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|0,0,2]=4 912 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [1,0,0,1,0,0|2,0,0]=4 913 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [1,0,0,1,0,0|2,0,0]=4 914 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [1,0,0,1,0,0|2,0,0]=4 915 B6R1.6 COC1COC1 34a_100138415774_100009818527 [1,0,0,1,0,0|2,0,0]=4 916 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [1,0,0,1,0,0|2,0,0]=4 917 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [1,0,0,1,0,0|2,0,0]=4 918 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [1,0,0,1,0,0|2,0,0]=4 919 B8R1.34 CC(C)NC1COC1 2230a_100016991112_100000210206 [0,0,0,1,0,1|2,0,0]=4 920 B8R1.34 CC(C)NC1COC1 34a_100138425928_100009818527 [0,0,0,1,0,1|2,0,0]=4 921 B8R1.34 CC(C)OC1COC1 34a_100000212225_100009818527 [0,0,0,1,0,1|2,0,0]=4 922 B8R1.34 CC(C)SC1COC1 62a_100000210206_100009818527 [0,0,0,1,0,1|2,0,0]=4 923 B8R1.40 CC(CO)NC1CC1 34a_100000212008_100012180447 [0,0,0,1,0,1|2,0,0]=4 924 B8R1.40 CC(CO)SC1CC1 62a_100012180447_100000211595 [0,0,0,1,0,1|2,0,0]=4 925 B8R1.40 C[C@H](CO)SC1CC1 62a_100016084084_100000211595 [0,0,0,1,0,1|2,0,0]=4 926 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [0,0,0,1,0,1|1,0,1]=4 927 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [0,0,0,1,0,1|1,0,1]=4 928 B8R1.27 CC1(CC1CO[13CH3])C 34a_100000728257_200025704644 [0,1,0,1,0,0|2,0,0]=4 929 B8R1.27 CC1(CC1CO[13CH3])C 7a_100000728257_200025704644 [0,1,0,1,0,0|2,0,0]=4 930 B8R1.27 CC1(OC1CO[13CH3])C 34a_200010283642_200025704644 [0,1,0,1,0,0|2,0,0]=4 931 B8R1.27 CC1(OC1CO[13CH3])C 7a_200010283642_200025704644 [0,1,0,1,0,0|2,0,0]=4 932 B8R1.27 COCC1CC1(C)C 34a_100000728257_200000210301 [0,1,0,1,0,0|2,0,0]=4 933 B8R1.27 COCC1CC1(C)C 7a_100000728257_200000210301 [0,1,0,1,0,0|2,0,0]=4 934 B8R1.27 COCC1OC1(C)C 34a_200010283642_200000210301 [0,1,0,1,0,0|2,0,0]=4 935 B8R1.27 COCC1OC1(C)C 7a_200010283642_200000210301 [0,1,0,1,0,0|2,0,0]=4 936 B8R1.37 CCNC(C)C1CO1 270004a_100015525214_100000031964 [0,1,0,1,0,0|2,0,0]=4 937 B8R1.37 COC[C@H](N)C1CC1 34a_100020623730_200000210301 [0,1,0,1,0,0|1,0,0]=3 938 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [0,1,0,1,0,0|1,0,1]=4 939 B8R1.37 [13CH3]OC[C@H](N)C1CC1 34a_100020623730_200025704644 [0,1,0,1,0,0|1,0,0]=3 940 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210202 [0,1,0,1,0,0|2,0,0]=4 941 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000204670 [0,1,0,1,0,0|2,0,0]=4 942 B8R1.46 C[C@H]1[C@H](CN1CF)O 269982a_206633788156_100015361967 [0,1,0,1,0,0|2,0,0]=4 943 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,1,0,1,0,0|2,0,0]=4 944 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,1,0,1,0,0|2,0,0]=4 945 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [0,1,0,1,0,0|2,0,0]=4 946 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [0,1,0,1,0,0|1,0,0]=3 947 B8R1.11 CNC1COCC1O 34a_100102657272_200000725654 [0,1,0,1,0,0|0,0,0]=2 948 B8R1.11 CNC1COCC1O 7a_106832991635_200000725654 [0,1,0,1,0,0|0,0,0]=2 949 B8R1.11 CN[C@H]1COC[C@@H]1O 2230a_100015191717_200000210301 [0,1,0,1,0,0|0,0,0]=2 950 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,1,0,1,0,0|2,0,0]=4 951 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,1,0,1,0,0|2,0,0]=4 952 B8R1.11 COC1COCC1O 34a_100138415774_200000725654 [0,1,0,1,0,0|1,0,0]=3 953 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [0,1,0,1,0,0|2,0,0]=4 954 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [0,1,0,1,0,0|1,0,0]=3 955 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [0,1,0,1,0,0|2,0,0]=4 956 B8R1.11 CO[C@H]1COC[C@@H]1N 34a_100015191717_200000210301 [0,1,0,1,0,0|0,0,0]=2 957 B8R1.11 CSC1COCC1O 62a_200000210301_200000725654 [0,1,0,1,0,0|1,0,0]=3 958 B8R1.11 CSC1COCC1O 62a_200000725654_200000210301 [0,1,0,1,0,0|1,0,0]=3 959 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,1,0,0|2,0,0]=4 960 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,1,0,0|2,0,0]=4 961 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [0,1,0,1,0,0|2,0,0]=4 962 B8R1.11 [13CH3]N[C@H]1COC[C@@H]1O 2230a_100015191717_200025704644 [0,1,0,1,0,0|0,0,0]=2 963 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [0,1,0,1,0,0|2,0,0]=4 964 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [0,1,0,1,0,0|1,0,0]=3 965 B8R1.11 [13CH3]O[C@H]1COC[C@@H]1N 34a_100015191717_200025704644 [0,1,0,1,0,0|0,0,0]=2 966 B8R1.11 [13CH3]SC1COCC1O 62a_200000725654_200025704644 [0,1,0,1,0,0|1,0,0]=3 967 B8R1.11 [13CH3]SC1COCC1O 62a_200025704644_200000725654 [0,1,0,1,0,0|1,0,0]=3 968 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,1,0,0|2,0,0]=4 969 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,1,0,0|2,0,0]=4 970 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [0,1,0,1,0,0|2,0,0]=4 971 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [0,1,0,1,0,0|2,0,0]=4 972 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [0,1,0,1,0,0|2,0,0]=4 973 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [0,1,0,1,0,0|2,0,0]=4 974 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,1,0,1,0,0|1,0,1]=4 975 B8R1.33 CCC(NC)C1CC1 2230a_100025715781_200000210301 [0,1,0,1,0,0|2,0,0]=4 976 B8R1.33 CCC(NC)C1CC1 269862a_106832991636_100000759681 [0,1,0,1,0,0|2,0,0]=4 977 B8R1.33 CCC(NC)C1CC1 34a_100025715781_200000210301 [0,1,0,1,0,0|2,0,0]=4 978 B8R1.33 CCC(N[13CH3])C1CC1 2230a_100025715781_200025704644 [0,1,0,1,0,0|2,0,0]=4 979 B8R1.33 CCC(N[13CH3])C1CC1 34a_100025715781_200025704644 [0,1,0,1,0,0|2,0,0]=4 980 B8R1.33 CN[C@@H](CO)C1CC1 2230a_100020623730_200000210301 [0,1,0,1,0,0|1,0,0]=3 981 B8R1.33 CN[C@@H](CO)C1CC1 34a_100020623730_200000210301 [0,1,0,1,0,0|1,0,0]=3 982 B8R1.33 [13CH3]N[C@@H](CO)C1CC1 2230a_100020623730_200025704644 [0,1,0,1,0,0|1,0,0]=3 983 B8R1.33 [13CH3]N[C@@H](CO)C1CC1 34a_100020623730_200025704644 [0,1,0,1,0,0|1,0,0]=3 984 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [0,0,0,0,0,2|2,0,0]=4 985 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [0,0,0,0,0,2|2,0,0]=4 986 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [0,0,0,0,0,2|2,0,0]=4 987 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [0,0,0,0,0,2|2,0,0]=4 988 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [0,0,0,0,0,2|2,0,0]=4 989 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [0,0,0,0,0,2|2,0,0]=4 990 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [0,0,0,0,0,2|2,0,0]=4 991 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [0,0,0,0,0,2|2,0,0]=4 992 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [0,0,0,0,0,2|2,0,0]=4 993 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [0,0,0,0,0,2|2,0,0]=4 994 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [0,0,0,0,0,2|2,0,0]=4 995 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [0,0,0,0,0,2|2,0,0]=4 996 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [0,0,0,0,0,2|2,0,0]=4 997 B8R0.9 CC(C)NC[C@@H](F)CO 34a_100015665980_100000210206 [0,0,0,0,0,2|2,0,0]=4 998 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [0,0,0,0,0,2|2,0,0]=4 999 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [0,0,0,0,0,2|2,0,0]=4 1000 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [0,0,0,0,0,2|2,0,0]=4 1001 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [0,0,0,0,0,2|2,0,0]=4 1002 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [0,0,0,0,0,2|2,0,0]=4 1003 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [0,0,0,0,0,2|2,0,0]=4 1004 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [0,0,0,0,0,2|2,0,0]=4 1005 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [0,0,0,0,0,2|2,0,0]=4 1006 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [0,0,0,0,0,2|2,0,0]=4 1007 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [0,0,0,0,0,2|2,0,0]=4 1008 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [0,0,0,0,0,2|2,0,0]=4 1009 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [0,0,0,0,0,2|2,0,0]=4 1010 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [0,0,0,0,0,2|2,0,0]=4 1011 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [0,0,0,0,0,2|2,0,0]=4 1012 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,0,0,0,0,2|2,0,0]=4 1013 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [0,0,0,0,0,2|2,0,0]=4 1014 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [0,0,0,0,0,2|2,0,0]=4 1015 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [0,0,0,0,0,2|2,0,0]=4 1016 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,0,0,0,0,2|1,0,0]=3 1017 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [0,0,0,0,0,2|2,0,0]=4 1018 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,0,0,0,0,2|1,0,1]=4 1019 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,0,0,0,0,2|1,0,1]=4 1020 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,0,0,0,0,2|1,0,1]=4 1021 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,0,0,0,0,2|1,0,0]=3 1022 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,0,0,0,0,2|1,0,0]=3 1023 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,0,0,0,0,2|1,0,0]=3 1024 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [0,0,0,0,0,2|2,0,0]=4 1025 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [0,0,0,0,0,2|2,0,0]=4 1026 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,0,0,0,0,2|2,0,0]=4 1027 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,0,0,0,0,2|1,0,0]=3 1028 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,0,0,0,0,2|1,0,0]=3 1029 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,0,0,0,0,2|1,0,0]=3 1030 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,0,0,0,0,2|2,0,0]=4 1031 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,0,0,0,0,2|2,0,0]=4 1032 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,0,0,0,0,2|2,0,0]=4 1033 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,0,0,0,0,2|2,0,0]=4 1034 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,0,0,0,0,2|2,0,0]=4 1035 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,0,0,0,0,2|2,0,0]=4 1036 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,0,0,0,0,2|2,0,0]=4 1037 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,0,0,0,0,2|2,0,0]=4 1038 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,0,0,0,0,2|2,0,0]=4 1039 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,0,0,0,0,2|2,0,0]=4 1040 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,0,0,0,0,2|1,0,0]=3 1041 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,0,0,0,0,2|1,0,0]=3 1042 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,0,0,0,0,2|1,0,0]=3