0 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,0,0,0,0,0|1,1,1]=3 7 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,0,0,0,0,0|4,0,0]=4 27 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,0,0,0,0,0|2,1,1]=4 29 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,0,0,0,0,0|2,1,1]=4 30 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,0,0,0,0,0|3,0,0]=3 34 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,0,0,0,0,0|4,0,0]=4 35 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,0,0,0,0,0|4,0,0]=4 36 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,0,0,0,0,0|4,0,0]=4 37 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,0,0,0,0,0|3,0,0]=3 39 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,0,0,0,0,0|3,0,0]=3 40 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,0,0,0,0,0|3,0,0]=3 41 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,0,0,0,0,0|3,0,0]=3 42 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,0,0,0,0,0|3,0,0]=3 43 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,0,0,0,0,0|3,0,0]=3 44 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,0,0,0,0,0|1,1,1]=3 45 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|1,1,1]=4 46 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|0,1,1]=3 47 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|3,0,0]=4 48 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|1,1,1]=4 53 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|1,1,1]=4 54 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|1,1,1]=4 55 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|3,0,0]=4 56 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|3,0,0]=4 67 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|3,0,0]=4 68 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|0,1,1]=3 72 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|3,0,0]=4 74 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|3,0,0]=4 76 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|3,0,0]=4 77 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|3,0,0]=4 79 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|3,0,0]=4 80 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|3,0,0]=4 81 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|3,0,0]=4 86 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,0,0,0,0|3,0,0]=4 87 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,0,0,0,0|3,0,0]=4 88 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,0,0,0,0|3,0,0]=4 89 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,0,0,0,0|3,0,0]=4 90 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,0,0,0,0|3,0,0]=4 92 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,0,0,0,0|2,0,0]=3 93 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,0,0,0,0|2,0,0]=3 94 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,0,0,0,0|2,0,0]=3 95 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,0,0,0,0|2,0,0]=3 97 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,0,0,0,0|3,0,0]=4 99 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|3,0,0]=4 100 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,0,0,0,0|3,0,0]=4 102 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,0,0,0,0|3,0,0]=4 103 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.2 FCSCF 62a_100015361967_100015361967 [1,0,0,0,0,0|3,0,0]=4 106 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,0,0,0,0|2,0,0]=3 108 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,0,0,0,0|3,0,0]=4 110 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|3,0,0]=4 111 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,0,0,0,0|3,0,0]=4 112 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,0,0,0,0|3,0,0]=4 113 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,0,0,0,0|2,0,0]=3 114 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,0,0,0,0|2,0,0]=3 115 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,1,0,0,0,0|1,1,1]=4 116 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,1,0,0,0,0|1,1,1]=4 121 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,1,0,0,0,0|1,1,1]=4 122 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,1,0,0,0,0|1,1,1]=4 123 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,1,0,0,0,0|1,1,1]=4 124 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,1,0,0,0,0|1,1,1]=4 125 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,1,0,0,0,0|1,1,1]=4 126 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,1,0,0,0,0|3,0,0]=4 129 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,1,0,0,0,0|3,0,0]=4 130 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,1,0,0,0,0|3,0,0]=4 134 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,1,0,0,0,0|1,1,1]=4 137 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,1,0,0,0,0|1,1,1]=4 138 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,1,0,0,0,0|1,1,1]=4 139 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,1,0,0,0,0|1,1,1]=4 140 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,1,0,0,0,0|1,1,1]=4 141 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,1,0,0,0,0|1,1,1]=4 142 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,1,0,0,0,0|1,1,1]=4 143 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,1,0,0,0,0|1,1,1]=4 144 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,1,0,0,0,0|1,1,1]=4 145 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,1,0,0,0,0|1,1,1]=4 146 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,1,0,0,0,0|3,0,0]=4 148 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,1,0,0,0,0|3,0,0]=4 149 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,1,0,0,0,0|3,0,0]=4 150 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,1,0,0,0,0|3,0,0]=4 151 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,1,0,0,0,0|3,0,0]=4 152 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,1,0,0,0,0|2,0,0]=3 153 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,1,0,0,0,0|2,0,0]=3 154 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,1,0,0,0,0|2,0,0]=3 155 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,1,0,0,0,0|2,0,0]=3 156 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,1,0,0,0,0|2,0,0]=3 157 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,1,0,0,0,0|3,0,0]=4 158 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,1,0,0,0,0|3,0,0]=4 160 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,1,0,0,0,0|2,1,0]=4 161 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,1,0,0,0,0|2,1,0]=4 162 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,1,0,0,0,0|2,1,0]=4 163 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,1,0,0,0,0|2,1,0]=4 164 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,1,0,0,0,0|2,1,0]=4 165 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,1,0,0,0,0|1,1,0]=3 166 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,1,0,0,0,0|1,1,0]=3 167 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,1,0,0,0,0|1,1,0]=3 168 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,1,0,0,0,0|1,1,0]=3 169 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,1,0,0,0,0|1,1,0]=3 170 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,0,0,0,0|1,1,1]=4 171 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,1,0,0,0,0|3,0,0]=4 172 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,1,0,0,0,0|3,0,0]=4 173 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,1,0,0,0,0|3,0,0]=4 174 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,1,0,0,0,0|3,0,0]=4 175 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,1,0,0,0,0|3,0,0]=4 176 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,1,0,0,0,0|3,0,0]=4 177 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,1,0,0,0,0|3,0,0]=4 178 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,1,0,0,0,0|3,0,0]=4 179 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,1,0,0,0,0|3,0,0]=4 180 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,1,0,0,0,0|3,0,0]=4 181 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,1,0,0,0,0|3,0,0]=4 182 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,1,0,0,0,0|3,0,0]=4 183 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,1,0,0,0,0|1,1,1]=4 184 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,1,0,0,0,0|1,1,1]=4 185 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,1,0,0,0,0|3,0,0]=4 186 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,1,0,0,0,0|3,0,0]=4 187 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,1,0,0,0,0|2,0,0]=3 188 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,1,0,0,0,0|3,0,0]=4 190 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,1,0,0,0,0|3,0,0]=4 191 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,1,0,0,0,0|3,0,0]=4 192 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,1,0,0,0,0|3,0,0]=4 193 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,1,0,0,0,0|3,0,0]=4 194 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,1,0,0,0,0|2,0,0]=3 195 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,1,0,0,0,0|3,0,0]=4 196 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,1,0,0,0,0|3,0,0]=4 197 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,1,0,0,0,0|2,0,0]=3 198 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,1,0,0,0,0|2,0,0]=3 199 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,1,0,0,0,0|2,0,0]=3 200 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,1,0,0,0,0|3,0,0]=4 201 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,1,0,0,0,0|3,0,0]=4 202 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,1,0,0,0,0|3,0,0]=4 203 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,1,0,0,0,0|2,0,0]=3 206 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,1,0,0,0,0|2,0,0]=3 207 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,1,0,0,0,0|2,0,0]=3 210 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,1,0,0,0,0|3,0,0]=4 211 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,1,0,0,0,0|3,0,0]=4 212 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,1,0,0,0,0|3,0,0]=4 213 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,1,0,0,0,0|3,0,0]=4 214 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,1,0,0,0,0|3,0,0]=4 215 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,1,0,0,0,0|3,0,0]=4 216 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,1,0,0,0,0|3,0,0]=4 217 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,1,0,0,0,0|3,0,0]=4 218 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,1,0,0,0,0|3,0,0]=4 219 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,1,0,0,0,0|2,0,0]=3 220 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,1,0,0,0,0|1,1,0]=3 221 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,1,0,0,0,0|1,1,0]=3 222 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,1,0,0,0,0|1,1,0]=3 223 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,1,0,0,0,0|2,0,0]=3 224 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,1,0,0,0,0|2,0,0]=3 225 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,1,0,0,0,0|2,0,0]=3 226 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,1,0,0,0,0|2,0,0]=3 227 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,1,0,0,0,0|2,1,0]=4 228 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,1,0,0,0,0|2,1,0]=4 229 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,1,0,0,0,0|2,1,0]=4 230 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,1,0,0,0,0|1,1,0]=3 231 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,1,0,0,0,0|1,1,0]=3 232 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,1,0,0,0,0|1,1,0]=3 233 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,1,0,0,0,0|1,1,0]=3 234 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,1,0,0,0,0|3,0,0]=4 235 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,1,0,0,0,0|3,0,0]=4 236 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,1,0,0,0,0|3,0,0]=4 237 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,1,0,0,0,0|3,0,0]=4 238 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,1,0,0,0,0|3,0,0]=4 239 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,1,0,0,0,0|1,1,1]=4 240 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,1,0,0,0,0|2,0,0]=3 241 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,1,0,0,0,0|3,0,0]=4 242 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,1,0,0,0,0|3,0,0]=4 243 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,1,0,0,0,0|3,0,0]=4 244 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,1,0,0,0,0|3,0,0]=4 245 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,1,0,0,0,0|3,0,0]=4 246 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,1,0,0,0,0|3,0,0]=4 247 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,1,0,0,0,0|2,0,0]=3 248 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,1,0,0,0,0|0,2,0]=3 249 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,1,0,0,0,0|1,1,0]=3 250 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,1,0,0,0,0|3,0,0]=4 251 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,1,0,0,0,0|3,0,0]=4 252 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,1,0,0,0,0|3,0,0]=4 253 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,1,0,0,0,0|1,1,0]=3 254 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,1,0,0,0,0|0,2,0]=3 255 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,1,0,0,0,0|2,0,0]=3 256 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,1,0,0,0,0|3,0,0]=4 257 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,1,0,0,0,0|3,0,0]=4 258 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,1,0,0,0,0|1,1,1]=4 259 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,1,0,0,0,0|0,1,0]=2 260 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,1,0,0,0,0|0,1,0]=2 261 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,1,0,0,0,0|1,0,0]=2 262 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,1,0,0,0,0|1,0,0]=2 263 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,1,0,0,0,0|1,1,0]=3 264 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,1,0,0,0,0|1,1,0]=3 265 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,1,0,0,0,0|0,1,0]=2 266 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,1,0,0,0,0|0,1,0]=2 267 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,1,0,0,0,0|1,0,0]=2 268 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,1,0,0,0,0|1,0,0]=2 269 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,1,0,0,0,0|3,0,0]=4 270 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|3,0,0]=4 271 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,1,0,0,0,0|2,0,0]=3 272 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,1,0,0,0,0|1,1,1]=4 274 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,1,0,0,0,0|1,1,1]=4 275 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,1,0,0,0,0|1,1,1]=4 276 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,1,0,0,0,0|0,2,1]=4 277 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,1,0,0,0,0|2,0,0]=3 278 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,1,0,0,0,0|1,1,0]=3 279 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,1,0,0,0,0|2,0,0]=3 280 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,1,0,0,0,0|2,0,0]=3 281 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,1,0,0,0,0|0,1,0]=2 282 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,1,0,0,0,0|0,1,0]=2 283 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,1,0,0,0,0|1,1,0]=3 284 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,1,0,0,0,0|1,1,0]=3 285 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,1,0,0,0,0|0,1,0]=2 286 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,1,0,0,0,0|0,1,0]=2 287 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,1,0,0,0,0|0,2,1]=4 288 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,1,0,0,0,0|1,1,1]=4 289 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,1,0,0,0,0|3,0,0]=4 290 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,1,0,0,0,0|3,0,0]=4 291 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,1,0,0,0,0|3,0,0]=4 292 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,1,0,0,0,0|3,0,0]=4 293 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,1,0,0,0,0|3,0,0]=4 294 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,1,0,0,0,0|1,1,1]=4 295 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,1,0,0,0,0|1,1,1]=4 296 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,1,0,0,0,0|1,1,1]=4 297 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,1,0,0,0,0|1,1,1]=4 298 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,1,0,0,0,0|3,0,0]=4 299 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,1,0,0,0,0|1,1,1]=4 300 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,1,0,0,0,0|1,1,1]=4 301 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,1,0,0,0,0|0,2,1]=4 302 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [0,1,0,0,0,0|3,0,0]=4 303 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [0,1,0,0,0,0|3,0,0]=4 304 B6R0.8 CSC(F)(F)CO 62a_100011217949_200000210301 [0,1,0,0,0,0|3,0,0]=4 305 B6R0.8 CSC(F)(F)CO 62a_200000210301_100011217949 [0,1,0,0,0,0|3,0,0]=4 306 B6R0.8 [13CH3]SC(F)(F)CO 62a_100011217949_200025704644 [0,1,0,0,0,0|3,0,0]=4 307 B6R0.8 [13CH3]SC(F)(F)CO 62a_200025704644_100011217949 [0,1,0,0,0,0|3,0,0]=4 308 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [0,1,0,0,0,0|2,0,1]=4 309 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [0,1,0,0,0,0|2,0,1]=4 310 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [0,1,0,0,0,0|2,0,1]=4 311 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [0,1,0,0,0,0|2,0,1]=4 312 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [0,1,0,0,0,0|3,0,0]=4 313 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [0,1,0,0,0,0|3,0,0]=4 314 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [0,1,0,0,0,0|3,0,0]=4 315 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [0,1,0,0,0,0|3,0,0]=4 316 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [0,1,0,0,0,0|2,1,0]=4 317 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [0,1,0,0,0,0|2,1,0]=4 318 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [0,1,0,0,0,0|2,0,0]=3 319 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [0,1,0,0,0,0|2,0,0]=3 320 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [0,1,0,0,0,0|2,0,0]=3 321 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [0,1,0,0,0,0|2,0,0]=3 322 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [0,1,0,0,0,0|2,0,0]=3 323 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [0,1,0,0,0,0|2,0,0]=3 324 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [0,1,0,0,0,0|1,1,0]=3 325 B6R0.9 COC(CCl)CCl 7a_100000737055_200000210301 [0,1,0,0,0,0|2,1,0]=4 326 B6R0.9 COC(CF)CF 34a_100000032261_200000210301 [0,1,0,0,0,0|2,1,0]=4 327 B6R0.9 COC(CF)CF 7a_100000032261_200000210301 [0,1,0,0,0,0|2,1,0]=4 328 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [0,1,0,0,0,0|2,1,0]=4 329 B6R0.9 CO[C@@H](CF)CCl 34a_100015614560_200000210301 [0,1,0,0,0,0|2,1,0]=4 330 B6R0.9 CO[C@@H](CF)CCl 7a_100015614560_200000210301 [0,1,0,0,0,0|2,1,0]=4 331 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [0,1,0,0,0,0|1,1,0]=3 332 B6R0.9 [13CH3]OC(CCl)CCl 7a_100000737055_200025704644 [0,1,0,0,0,0|2,1,0]=4 333 B6R0.9 [13CH3]OC(CF)CF 34a_100000032261_200025704644 [0,1,0,0,0,0|2,1,0]=4 334 B6R0.9 [13CH3]OC(CF)CF 7a_100000032261_200025704644 [0,1,0,0,0,0|2,1,0]=4 335 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [0,1,0,0,0,0|2,1,0]=4 336 B6R0.9 [13CH3]O[C@@H](CF)CCl 34a_100015614560_200025704644 [0,1,0,0,0,0|2,1,0]=4 337 B6R0.9 [13CH3]O[C@@H](CF)CCl 7a_100015614560_200025704644 [0,1,0,0,0,0|2,1,0]=4 338 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,0,0,1,0,0|3,0,0]=4 339 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,0,0,1,0,0|3,0,0]=4 340 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,0,0,1,0,0|3,0,0]=4 341 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,0,0,1,0,0|3,0,0]=4 342 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [0,0,0,1,0,0|3,0,0]=4 343 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [0,0,0,1,0,0|3,0,0]=4 344 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [0,0,0,1,0,0|3,0,0]=4 345 B6R1.6 COC1COC1 34a_100138415774_100009818527 [0,0,0,1,0,0|3,0,0]=4 346 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [0,0,0,1,0,0|3,0,0]=4 347 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [0,0,0,1,0,0|3,0,0]=4 348 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [0,0,0,1,0,0|3,0,0]=4 349 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [0,0,0,1,0,0|3,0,0]=4 350 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [0,0,0,1,0,0|3,0,0]=4 351 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|2,0,0]=4 352 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|2,0,0]=4 353 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|2,0,0]=4 354 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|2,0,0]=4 355 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|2,0,0]=4 356 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|2,0,0]=4 357 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|2,0,0]=4 358 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|2,0,0]=4 359 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|2,0,0]=4 360 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|2,0,0]=4 361 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|2,0,0]=4 362 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|2,0,0]=4 363 B3R0.1 CNCF 34a_100102657272_100015361967 [2,0,0,0,0,0|2,0,0]=4 364 B3R0.1 CNCF 7a_106832991635_100015361967 [2,0,0,0,0,0|2,0,0]=4 365 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|2,0,0]=4 366 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|2,0,0]=4 367 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|2,0,0]=4 368 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|2,0,0]=4 369 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|2,0,0]=4 370 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,1,1]=4 371 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,1,1]=4 372 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|2,0,0]=4 373 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|2,0,0]=4 374 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|2,0,0]=4 375 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|2,0,0]=4 376 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,1,0,0,0,0|1,0,1]=4 377 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,1,0,0,0,0|1,0,1]=4 378 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,1,0,0,0,0|1,0,1]=4 379 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,1,0,0,0,0|1,0,1]=4 380 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,1,0,0,0,0|1,0,1]=4 381 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,1,0,0,0,0|1,0,1]=4 382 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,1,0,0,0,0|1,0,1]=4 383 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,1,0,0,0,0|0,1,1]=4 384 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,1,0,0,0,0|0,1,1]=4 385 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,1,0,0,0,0|0,1,1]=4 386 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,1,0,0,0,0|1,0,0]=3 387 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,1,0,0,0,0|2,0,0]=4 388 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,1,0,0,0,0|2,0,0]=4 389 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,1,0,0,0,0|1,0,0]=3 390 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,1,0,0,0,0|1,0,0]=3 391 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,1,0,0,0,0|1,0,0]=3 392 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,1,0,0,0,0|2,0,0]=4 393 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,1,0,0,0,0|2,0,0]=4 394 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,1,0,0,0,0|2,0,0]=4 395 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,1,0,0,0,0|2,0,0]=4 396 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,1,0,0,0,0|1,0,0]=3 397 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,1,0,0,0,0|1,1,0]=4 398 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,1,0]=4 399 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,1,0,0,0,0|0,1,0]=3 400 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,1,0,0,0,0|0,1,0]=3 401 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,1,0,0,0,0|2,0,0]=4 402 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,1,0,0,0,0|2,0,0]=4 403 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,1,0,0,0,0|2,0,0]=4 404 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,1,0,0,0,0|2,0,0]=4 405 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,1,0,0,0,0|2,0,0]=4 406 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,1,0,0,0,0|2,0,0]=4 407 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,1,0,0,0,0|2,0,0]=4 408 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,1,0,0,0,0|2,0,0]=4 409 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,1,0,0,0,0|2,0,0]=4 410 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,1,0,0,0,0|2,0,0]=4 411 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,1,0,0,0,0|2,0,0]=4 412 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,1,0,0,0,0|2,0,0]=4 413 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,1,0,0,0,0|2,0,0]=4 414 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,1,0,0,0,0|2,0,0]=4 415 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,1,0,0,0,0|2,0,0]=4 416 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,1,0,0,0,0|2,0,0]=4 417 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,1,0,0,0,0|2,0,0]=4 418 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,1,0,0,0,0|2,0,0]=4 419 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,1,0,0,0,0|2,0,0]=4 420 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,1,0,0,0,0|1,1,0]=4 421 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,1,0,0,0,0|1,1,0]=4 422 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,1,0,0,0,0|1,1,0]=4 423 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,1,0,0,0,0|1,1,0]=4 424 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,1,0,0,0,0|1,1,0]=4 425 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,1,0,0,0,0|1,1,0]=4 426 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,1,0,0,0,0|1,1,0]=4 427 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,1,0,0,0,0|1,1,0]=4 428 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,1,0,0,0,0|0,1,1]=4 429 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,1,0,0,0,0|0,1,1]=4 430 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,1,0,0,0,0|0,1,1]=4 431 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,1,0,0,0,0|1,0,0]=3 432 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,1,0,0,0,0|1,0,0]=3 433 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,1,0,0,0,0|1,0,0]=3 434 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,1,0,0,0,0|1,0,0]=3 435 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,1,0,0,0,0|0,1,0]=3 436 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [1,1,0,0,0,0|2,0,0]=4 437 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [1,1,0,0,0,0|2,0,0]=4 438 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,1,0,0,0,0|2,0,0]=4 439 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,1,0,0,0,0|2,0,0]=4 440 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,1,0,0,0,0|1,0,0]=3 441 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,1,0,0,0,0|1,0,0]=3 442 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,1,0,0,0,0|0,1,0]=3 443 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,1,0,0,0,0|0,1,1]=4 444 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,1,0,0,0,0|0,1,1]=4 445 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,1,0,0,0,0|1,0,0]=3 446 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,1,0,0,0,0|1,0,0]=3 447 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,1,0,0,0,0|0,1,0]=3 448 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,1,0,0,0,0|0,1,0]=3 449 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [1,1,0,0,0,0|2,0,0]=4 450 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [1,1,0,0,0,0|2,0,0]=4 451 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,1,0,0,0,0|2,0,0]=4 452 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,1,0,0,0,0|2,0,0]=4 453 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,1,0,0,0,0|0,1,0]=3 454 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,1,0,0,0,0|0,1,0]=3 455 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,1,0,0,0,0|1,0,0]=3 456 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,1,0,0,0,0|1,0,0]=3 457 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,1,0,0,0,0|0,1,0]=3 458 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,1,0,0,0,0|0,1,0]=3 459 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,1,0,0,0,0|0,1,1]=4 460 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [1,1,0,0,0,0|2,0,0]=4 461 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [1,1,0,0,0,0|2,0,0]=4 462 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [1,1,0,0,0,0|2,0,0]=4 463 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|0,1,1]=4 464 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|0,1,1]=4 465 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|0,1,1]=4 466 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|0,1,1]=4 467 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|0,1,1]=4 468 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|0,1,1]=4 469 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,1,0,0,0,0|1,0,1]=4 470 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,1,0,0,0,0|1,0,1]=4 471 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,1,0,0,0,0|1,0,1]=4 472 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [1,1,0,0,0,0|1,0,1]=4 473 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [1,1,0,0,0,0|1,0,1]=4 474 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [1,1,0,0,0,0|1,0,1]=4 475 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [1,1,0,0,0,0|1,0,1]=4 476 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,1,0,0,0,0|1,0,1]=4 477 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,1,0,0,0,0|1,0,1]=4 478 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,1,0,0,0,0|1,0,1]=4 479 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,1,0,0,0,0|1,0,1]=4 480 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,1,0,0,0,0|1,0,1]=4 481 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,1,0,0,0,0|1,0,1]=4 482 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,1,0,0,0,0|1,0,1]=4 483 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,1,0,0,0,0|2,0,0]=4 484 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,1,0,0,0,0|2,0,0]=4 485 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,1,0,0,0,0|2,0,0]=4 486 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,1,0,0,0,0|2,0,0]=4 487 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,1,0,0,0,0|2,0,0]=4 488 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,1,0,0,0,0|2,0,0]=4 489 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,1,0,0,0,0|2,0,0]=4 490 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,1,0,0,0,0|1,0,0]=3 491 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,1,0,0,0,0|1,0,0]=3 492 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,1,0,0,0,0|1,0,0]=3 493 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,1,0,0,0,0|1,0,0]=3 494 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,1,0,0,0,0|1,0,0]=3 495 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,1,0,0,0,0|1,0,0]=3 496 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,1,0,0,0,0|1,0,0]=3 497 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,1,0,0,0,0|1,0,0]=3 498 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,1,0,0,0,0|1,0,0]=3 499 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,1,0,0,0,0|2,0,0]=4 500 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,1,0,0,0,0|2,0,0]=4 501 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,1,0,0,0,0|2,0,0]=4 502 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,1,0,0,0,0|2,0,0]=4 503 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,1,0,0,0,0|2,0,0]=4 504 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,1,0,0,0,0|2,0,0]=4 505 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,1,0,0,0,0|2,0,0]=4 506 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,1,0,0,0,0|2,0,0]=4 507 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,1,0,0,0,0|2,0,0]=4 508 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,1,0,0,0,0|2,0,0]=4 509 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,1,0,0,0,0|1,0,0]=3 510 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,1,0,0,0,0|1,0,0]=3 511 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,1,0,0,0,0|1,0,0]=3 512 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,1,0,0,0,0|2,0,0]=4 513 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,1,0,0,0,0|2,0,0]=4 514 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,1,0,0,0,0|2,0,0]=4 515 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,1,0,0,0,0|2,0,0]=4 516 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,1,0,0,0,0|2,0,0]=4 517 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,1,0,0,0,0|1,0,0]=3 518 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,1,0,0,0,0|2,0,0]=4 519 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,1,0,0,0,0|2,0,0]=4 520 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,1,0,0,0,0|2,0,0]=4 521 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,1,0,0,0,0|2,0,0]=4 522 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,1,0,0,0,0|2,0,0]=4 523 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,1,0,0,0,0|2,0,0]=4 524 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,1,0,0,0,0|2,0,0]=4 525 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,1,0,0,0,0|1,0,0]=3 526 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,1,0,0,0,0|1,0,0]=3 527 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,1,0,0,0,0|2,0,0]=4 528 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,1,0,0,0,0|2,0,0]=4 529 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,1,0,0,0,0|2,0,0]=4 530 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,1,0,0,0,0|2,0,0]=4 531 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,1,0,0,0,0|2,0,0]=4 532 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,1,0,0,0,0|2,0,0]=4 533 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,1,0,0,0,0|2,0,0]=4 534 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,1,0,0,0,0|2,0,0]=4 535 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,1,0,0,0,0|2,0,0]=4 536 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,1,0,0,0,0|1,0,0]=3 537 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,1,0,0,0,0|1,0,0]=3 538 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,1,0,0,0,0|1,0,0]=3 539 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,1,0,0,0,0|2,0,0]=4 540 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,1,0,0,0,0|2,0,0]=4 541 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,1,0,0,0,0|2,0,0]=4 542 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,1,0,0,0,0|2,0,0]=4 543 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,1,0,0,0,0|2,0,0]=4 544 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,1,0,0,0,0|2,0,0]=4 545 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,1,0,0,0,0|2,0,0]=4 546 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,1,0,0,0,0|2,0,0]=4 547 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,1,0,0,0,0|1,0,0]=3 548 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,1,0,0,0,0|1,0,0]=3 549 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,1,0,0,0,0|1,0,0]=3 550 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,1,0,0,0,0|1,0,0]=3 551 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,1,0,0,0,0|1,0,0]=3 552 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,1,0,0,0,0|0,1,0]=3 553 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,1,0,0,0,0|2,0,0]=4 554 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,1,0,0,0,0|2,0,0]=4 555 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,1,0,0,0,0|2,0,0]=4 556 B5R0.2 COCCON 34a_100000700252_200000210301 [1,1,0,0,0,0|2,0,0]=4 557 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,1,0,0,0,0|2,0,0]=4 558 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,1,0,0,0,0|2,0,0]=4 559 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,1,0,0,0,0|2,0,0]=4 560 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,1,0,0,0,0|2,0,0]=4 561 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,1,0,0,0,0|2,0,0]=4 562 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,1,0,0,0,0|2,0,0]=4 563 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,1,0,0,0,0|2,0,0]=4 564 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,1,0,0,0,0|2,0,0]=4 565 B5R0.2 COCSCF 62a_100000766300_100015361967 [1,1,0,0,0,0|2,0,0]=4 566 B5R0.2 COCSCF 62a_100015361967_100000766300 [1,1,0,0,0,0|2,0,0]=4 567 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [1,1,0,0,0,0|1,0,1]=4 568 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [1,1,0,0,0,0|1,0,1]=4 569 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,1,0,0,0,0|1,0,0]=3 570 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,1,0,0,0,0|1,0,0]=3 571 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,1,0,0,0,0|0,0,0]=2 572 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,1,0,0,0,0|0,0,0]=2 573 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,1,0,0,0,0|2,0,0]=4 574 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,1,0,0,0,0|2,0,0]=4 575 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,1,0,0,0,0|2,0,0]=4 576 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,1,0,0,0,0|2,0,0]=4 577 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,1,0,0,0,0|2,0,0]=4 578 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,1,0,0,0,0|2,0,0]=4 579 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,1,0,0,0,0|2,0,0]=4 580 B5R0.2 CSCSCF 62a_100011218213_100015361967 [1,1,0,0,0,0|2,0,0]=4 581 B5R0.2 CSCSCF 62a_100015361967_100011218213 [1,1,0,0,0,0|2,0,0]=4 582 B5R0.2 FCCNCF 34a_100000724931_100015361967 [1,1,0,0,0,0|2,0,0]=4 583 B5R0.2 FCCSCF 62a_100011217306_100015361967 [1,1,0,0,0,0|2,0,0]=4 584 B5R0.2 FCCSCF 62a_100015361967_100011217306 [1,1,0,0,0,0|2,0,0]=4 585 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [1,1,0,0,0,0|2,0,0]=4 586 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,1,0,0,0,0|2,0,0]=4 587 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,1,0,0,0,0|1,0,0]=3 588 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,1,0,0,0,0|1,0,0]=3 589 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,1,0,0,0,0|1,0,0]=3 590 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,1,0,0,0,0|2,0,0]=4 591 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,1,0,0,0,0|2,0,0]=4 592 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,1,0,0,0,0|1,0,0]=3 593 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,1,0,0,0,0|1,0,0]=3 594 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,1,0,0,0,0|1,0,0]=3 595 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,1,0,0,0,0|1,0,0]=3 596 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,1,0,0,0,0|2,0,0]=4 597 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [1,1,0,0,0,0|1,0,1]=4 598 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [1,1,0,0,0,0|1,0,1]=4 599 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,1,0,0,0,0|1,0,0]=3 600 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,1,0,0,0,0|1,0,0]=3 601 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,1,0,0,0,0|0,0,0]=2 602 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,1,0,0,0,0|0,0,0]=2 603 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,2,0,0,0,0|1,1,0]=4 604 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,2,0,0,0,0|2,0,0]=4 605 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,2,0,0,0,0|2,0,0]=4 606 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,2,0,0,0,0|2,0,0]=4 607 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,2,0,0,0,0|2,0,0]=4 608 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,2,0,0,0,0|2,0,0]=4 609 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,2,0,0,0,0|2,0,0]=4 610 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,2,0,0,0,0|2,0,0]=4 611 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [0,2,0,0,0,0|1,1,0]=4 612 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [0,2,0,0,0,0|1,1,0]=4 613 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [0,2,0,0,0,0|1,1,0]=4 614 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [0,2,0,0,0,0|1,1,0]=4 615 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [0,2,0,0,0,0|1,1,0]=4 616 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [0,2,0,0,0,0|1,1,0]=4 617 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [0,2,0,0,0,0|2,0,0]=4 618 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [0,2,0,0,0,0|2,0,0]=4 619 B7R0.3 C#CCNC(C)CO 34a_100000212058_100012180447 [0,2,0,0,0,0|2,0,0]=4 620 B7R0.3 C#CCN[C@H](C)CO 2230a_100000737577_100000038162 [0,2,0,0,0,0|2,0,0]=4 621 B7R0.3 C#CCOC(C)CO 34a_100000210247_100012180447 [0,2,0,0,0,0|2,0,0]=4 622 B7R0.3 C#CCS[C@H](C)CO 62a_100000038162_100016084084 [0,2,0,0,0,0|2,0,0]=4 623 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,2,0,0,0,0|2,0,0]=4 624 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,2,0,0,0,0|2,0,0]=4 625 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,2,0,0,0,0|2,0,0]=4 626 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [0,2,0,0,0,0|2,0,0]=4 627 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [0,2,0,0,0,0|2,0,0]=4 628 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [0,2,0,0,0,0|2,0,0]=4 629 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,2,0,0,0,0|2,0,0]=4 630 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,2,0,0,0,0|2,0,0]=4 631 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [0,2,0,0,0,0|2,0,0]=4 632 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,2,0,0,0,0|2,0,0]=4 633 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,2,0,0,0,0|2,0,0]=4 634 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,2,0,0,0,0|2,0,0]=4 635 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [0,2,0,0,0,0|2,0,0]=4 636 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [0,2,0,0,0,0|2,0,0]=4 637 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [0,2,0,0,0,0|1,1,0]=4 638 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [0,2,0,0,0,0|1,1,0]=4 639 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,2,0,0,0,0|2,0,0]=4 640 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,2,0,0,0,0|2,0,0]=4 641 B7R0.3 CC(CO)SCC#N 62a_100012180447_100011215382 [0,2,0,0,0,0|2,0,0]=4 642 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,2,0,0,0,0|1,1,0]=4 643 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [0,2,0,0,0,0|2,0,0]=4 644 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,2,0,0,0,0|1,1,0]=4 645 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,2,0,0,0,0|2,0,0]=4 646 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,2,0,0,0,0|2,0,0]=4 647 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,2,0,0,0,0|2,0,0]=4 648 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,2,0,0,0,0|2,0,0]=4 649 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,2,0,0,0,0|2,0,0]=4 650 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,2,0,0,0,0|2,0,0]=4 651 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,2,0,0,0,0|2,0,0]=4 652 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,2,0,0,0,0|2,0,0]=4 653 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,2,0,0,0,0|2,0,0]=4 654 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,2,0,0,0,0|2,0,0]=4 655 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,2,0,0,0,0|2,0,0]=4 656 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,2,0,0,0,0|2,0,0]=4 657 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,2,0,0,0,0|2,0,0]=4 658 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,2,0,0,0,0|2,0,0]=4 659 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,2,0,0,0,0|2,0,0]=4 660 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,2,0,0,0,0|2,0,0]=4 661 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,2,0,0,0,0|1,1,0]=4 662 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,2,0,0,0,0|1,1,0]=4 663 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,2,0,0,0,0|2,0,0]=4 664 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,2,0,0,0,0|2,0,0]=4 665 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,2,0,0,0,0|2,0,0]=4 666 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,2,0,0,0,0|2,0,0]=4 667 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,2,0,0,0,0|2,0,0]=4 668 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,2,0,0,0,0|2,0,0]=4 669 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,2,0,0,0,0|1,1,0]=4 670 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,2,0,0,0,0|2,0,0]=4 671 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [0,2,0,0,0,0|2,0,0]=4 672 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,2,0,0,0,0|1,1,0]=4 673 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,2,0,0,0,0|1,1,0]=4 674 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,2,0,0,0,0|2,0,0]=4 675 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,2,0,0,0,0|2,0,0]=4 676 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [0,2,0,0,0,0|2,0,0]=4 677 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,2,0,0,0,0|1,1,0]=4 678 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,2,0,0,0,0|0,2,0]=4 679 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,2,0,0,0,0|2,0,0]=4 680 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,2,0,0,0,0|2,0,0]=4 681 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,2,0,0,0,0|1,1,0]=4 682 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,2,0,0,0,0|1,1,0]=4 683 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,2,0,0,0,0|0,2,0]=4 684 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [0,2,0,0,0,0|2,0,0]=4 685 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,2,0,0,0,0|2,0,0]=4 686 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,2,0,0,0,0|2,0,0]=4 687 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,2,0,0,0,0|1,1,0]=4 688 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,2,0,0,0,0|1,1,0]=4 689 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,2,0,0,0,0|0,1,0]=3 690 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,2,0,0,0,0|0,1,0]=3 691 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,2,0,0,0,0|2,0,0]=4 692 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,2,0,0,0,0|2,0,0]=4 693 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,2,0,0,0,0|1,0,0]=3 694 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,2,0,0,0,0|1,0,0]=3 695 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,2,0,0,0,0|1,1,0]=4 696 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,2,0,0,0,0|1,1,0]=4 697 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,2,0,0,0,0|0,1,0]=3 698 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,2,0,0,0,0|0,1,0]=3 699 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,2,0,0,0,0|2,0,0]=4 700 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,2,0,0,0,0|2,0,0]=4 701 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,2,0,0,0,0|2,0,0]=4 702 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,2,0,0,0,0|2,0,0]=4 703 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,2,0,0,0,0|2,0,0]=4 704 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [0,2,0,0,0,0|1,1,0]=4 705 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [0,2,0,0,0,0|1,1,0]=4 706 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [0,2,0,0,0,0|1,1,0]=4 707 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [0,2,0,0,0,0|1,1,0]=4 708 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,2,0,0,0,0|0,1,1]=4 709 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [0,2,0,0,0,0|1,0,0]=3 710 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [0,2,0,0,0,0|2,0,0]=4 711 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,2,0,0,0,0|2,0,0]=4 712 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [0,2,0,0,0,0|1,0,0]=3 713 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [0,2,0,0,0,0|1,0,0]=3 714 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [0,2,0,0,0,0|1,0,0]=3 715 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [0,2,0,0,0,0|1,0,0]=3 716 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [0,2,0,0,0,0|1,0,0]=3 717 B7R0.3 C[C@H](CO)NCC#N 2230a_100000737577_100011215382 [0,2,0,0,0,0|2,0,0]=4 718 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,2,0,0,0,0|1,1,0]=4 719 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [0,2,0,0,0,0|2,0,0]=4 720 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [0,2,0,0,0,0|1,1,0]=4 721 B7R0.3 C[C@H](CO)SCC#N 62a_100011215382_100016084084 [0,2,0,0,0,0|2,0,0]=4 722 B7R0.3 C[C@H](CO)SCC#N 62a_100016084084_100011215382 [0,2,0,0,0,0|2,0,0]=4 723 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,2,0,0,0,0|1,1,0]=4 724 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,2,0,0,0,0|1,1,0]=4 725 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [0,2,0,0,0,0|2,0,0]=4 726 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [0,2,0,0,0,0|2,0,0]=4 727 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,2,0,0,0,0|1,1,0]=4 728 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,2,0,0,0,0|1,1,0]=4 729 B7R0.3 FCOCC(Cl)CCl 34a_100000033668_100015361967 [0,2,0,0,0,0|2,0,0]=4 730 B7R0.3 NC[C@@H](F)COCF 34a_100015665980_100015361967 [0,2,0,0,0,0|2,0,0]=4 731 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [0,2,0,0,0,0|0,1,0]=3 732 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [0,2,0,0,0,0|0,1,0]=3 733 B7R0.3 OC[C@H](F)CNCF 34a_100015665980_100015361967 [0,2,0,0,0,0|2,0,0]=4 734 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [0,2,0,0,0,0|0,1,0]=3 735 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [0,2,0,0,0,0|0,1,0]=3 736 B7R0.3 O[C@@H](CF)CSCF 62a_100015361967_100015614560 [0,2,0,0,0,0|1,1,0]=4 737 B7R0.3 O[C@@H](CF)CSCF 62a_100015614560_100015361967 [0,2,0,0,0,0|1,1,0]=4 738 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|2,0,0]=4 739 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|2,0,0]=4 740 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,2,0,0,0,0|2,0,0]=4 741 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,2,0,0,0,0|2,0,0]=4 742 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,2,0,0,0,0|2,0,0]=4 743 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,2,0,0,0,0|2,0,0]=4 744 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [0,2,0,0,0,0|2,0,0]=4 745 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [0,2,0,0,0,0|2,0,0]=4 746 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,2,0,0,0,0|2,0,0]=4 747 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,2,0,0,0,0|2,0,0]=4 748 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,2,0,0,0,0|2,0,0]=4 749 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,2,0,0,0,0|2,0,0]=4 750 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,2,0,0,0,0|2,0,0]=4 751 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,2,0,0,0,0|2,0,0]=4 752 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,2,0,0,0,0|2,0,0]=4 753 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,2,0,0,0,0|2,0,0]=4 754 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,2,0,0,0,0|2,0,0]=4 755 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,2,0,0,0,0|2,0,0]=4 756 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,2,0,0,0,0|2,0,0]=4 757 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,2,0,0,0,0|2,0,0]=4 758 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,2,0,0,0,0|2,0,0]=4 759 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,2,0,0,0,0|2,0,0]=4 760 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,2,0,0,0,0|2,0,0]=4 761 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,2,0,0,0,0|2,0,0]=4 762 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,2,0,0,0,0|2,0,0]=4 763 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,2,0,0,0,0|2,0,0]=4 764 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,2,0,0,0,0|2,0,0]=4 765 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,2,0,0,0,0|2,0,0]=4 766 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,2,0,0,0,0|2,0,0]=4 767 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,2,0,0,0,0|2,0,0]=4 768 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,2,0,0,0,0|2,0,0]=4 769 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,2,0,0,0,0|2,0,0]=4 770 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,2,0,0,0,0|2,0,0]=4 771 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,2,0,0,0,0|2,0,0]=4 772 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,2,0,0,0,0|2,0,0]=4 773 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,2,0,0,0,0|2,0,0]=4 774 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [0,2,0,0,0,0|1,1,0]=4 775 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [0,2,0,0,0,0|1,1,0]=4 776 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [0,2,0,0,0,0|1,1,0]=4 777 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [0,2,0,0,0,0|1,1,0]=4 778 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,2,0,0,0,0|2,0,0]=4 779 B7R0.7 COCC(C)SCF 62a_100000765312_100015361967 [0,2,0,0,0,0|2,0,0]=4 780 B7R0.7 COCC(C)SCF 62a_100015361967_100000765312 [0,2,0,0,0,0|2,0,0]=4 781 B7R0.7 COCC(N)COC 34a_100000724102_200000210301 [0,2,0,0,0,0|1,1,0]=4 782 B7R0.7 COCC(N)CO[13CH3] 34a_100000724102_200025704644 [0,2,0,0,0,0|1,1,0]=4 783 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [0,2,0,0,0,0|1,1,0]=4 784 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [0,2,0,0,0,0|1,1,0]=4 785 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [0,2,0,0,0,0|0,2,0]=4 786 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [0,2,0,0,0,0|0,1,0]=3 787 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [0,2,0,0,0,0|0,1,0]=3 788 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [0,2,0,0,0,0|0,1,0]=3 789 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [0,2,0,0,0,0|0,1,0]=3 790 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,2,0,0,0,0|2,0,0]=4 791 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,2,0,0,0,0|0,1,1]=4 792 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,2,0,0,0,0|0,1,1]=4 793 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,2,0,0,0,0|0,1,1]=4 794 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [0,2,0,0,0,0|2,0,0]=4 795 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [0,2,0,0,0,0|2,0,0]=4 796 B7R0.7 CSC[C@@H](O)CC#N 62a_100000001066_200000210301 [0,2,0,0,0,0|1,1,0]=4 797 B7R0.7 CSC[C@@H](O)CC#N 62a_200000210301_100000001066 [0,2,0,0,0,0|1,1,0]=4 798 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [0,2,0,0,0,0|2,0,0]=4 799 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,2,0,0,0,0|0,1,1]=4 800 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,2,0,0,0,0|0,1,1]=4 801 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_100000001066_200025704644 [0,2,0,0,0,0|1,1,0]=4 802 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_200025704644_100000001066 [0,2,0,0,0,0|1,1,0]=4 803 B7R0.10 CC(CO)N(C)CF 269982a_100000693034_100015361967 [0,2,0,0,0,0|2,0,0]=4 804 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,2,0,0,0,0|1,1,0]=4 805 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,2,0,0,0,0|2,0,0]=4 806 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,2,0,0,0,0|2,0,0]=4 807 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,2,0,0,0,0|2,0,0]=4 808 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [0,2,0,0,0,0|2,0,0]=4 809 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [0,2,0,0,0,0|2,0,0]=4 810 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [0,2,0,0,0,0|2,0,0]=4 811 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [0,2,0,0,0,0|2,0,0]=4 812 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [0,2,0,0,0,0|2,0,0]=4 813 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [0,2,0,0,0,0|2,0,0]=4 814 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [0,2,0,0,0,0|2,0,0]=4 815 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [0,2,0,0,0,0|2,0,0]=4 816 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,2,0,0,0,0|1,1,0]=4 817 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [0,2,0,0,0,0|2,0,0]=4 818 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [0,2,0,0,0,0|2,0,0]=4 819 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [0,2,0,0,0,0|1,0,0]=3 820 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [0,2,0,0,0,0|1,0,0]=3 821 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,2,0,0,0,0|2,0,0]=4 822 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,2,0,0,0,0|2,0,0]=4 823 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [0,2,0,0,0,0|2,0,0]=4 824 B7R0.11 CCSC(F)(F)CO 62a_100000210202_100011217949 [0,2,0,0,0,0|2,0,0]=4 825 B7R0.11 CCSC(F)(F)CO 62a_100011217949_100000210202 [0,2,0,0,0,0|2,0,0]=4 826 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [0,2,0,0,0,0|2,0,0]=4 827 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [0,2,0,0,0,0|2,0,0]=4 828 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [0,2,0,0,0,0|2,0,0]=4 829 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [0,2,0,0,0,0|2,0,0]=4 830 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [0,2,0,0,0,0|1,1,0]=4 831 B7R0.11 COCC(F)(F)CN 34a_100000703232_200000210301 [0,2,0,0,0,0|2,0,0]=4 832 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [0,2,0,0,0,0|1,0,0]=3 833 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [0,2,0,0,0,0|1,0,0]=3 834 B7R0.11 OCC(F)(F)SCF 62a_100011217949_100015361967 [0,2,0,0,0,0|2,0,0]=4 835 B7R0.11 OCC(F)(F)SCF 62a_100015361967_100011217949 [0,2,0,0,0,0|2,0,0]=4 836 B7R0.11 [13CH3]OCC(F)(F)CN 34a_100000703232_200025704644 [0,2,0,0,0,0|2,0,0]=4 837 B7R0.12 C=CC[C@H](CO)NC 2230a_100020615467_200000210301 [0,2,0,0,0,0|2,0,0]=4 838 B7R0.12 C=CC[C@H](CO)N[13CH3] 2230a_100020615467_200025704644 [0,2,0,0,0,0|2,0,0]=4 839 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [0,2,0,0,0,0|2,0,0]=4 840 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [0,2,0,0,0,0|2,0,0]=4 841 B7R0.12 C=C[C@@H](CO)NCF 34a_100016989147_100015361967 [0,2,0,0,0,0|2,0,0]=4 842 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,2,0,0,0,0|2,0,0]=4 843 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,2,0,0,0,0|2,0,0]=4 844 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,2,0,0,0,0|2,0,0]=4 845 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [0,2,0,0,0,0|2,0,0]=4 846 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [0,2,0,0,0,0|2,0,0]=4 847 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [0,2,0,0,0,0|2,0,0]=4 848 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [0,2,0,0,0,0|2,0,0]=4 849 B7R0.12 CCC(CC)SCF 62a_100000210505_100015361967 [0,2,0,0,0,0|2,0,0]=4 850 B7R0.12 CCC(CC)SCF 62a_100015361967_100000210505 [0,2,0,0,0,0|2,0,0]=4 851 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [0,2,0,0,0,0|2,0,0]=4 852 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [0,2,0,0,0,0|2,0,0]=4 853 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [0,2,0,0,0,0|2,0,0]=4 854 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,2,0,0,0,0|1,1,0]=4 855 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,2,0,0,0,0|1,1,0]=4 856 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,2,0,0,0,0|1,1,0]=4 857 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,2,0,0,0,0|1,1,0]=4 858 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,2,0,0,0,0|1,1,0]=4 859 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,2,0,0,0,0|1,1,0]=4 860 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,2,0,0,0,0|2,0,0]=4 861 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,2,0,0,0,0|2,0,0]=4 862 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,2,0,0,0,0|2,0,0]=4 863 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,2,0,0,0,0|2,0,0]=4 864 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,2,0,0,0,0|2,0,0]=4 865 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,2,0,0,0,0|2,0,0]=4 866 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,2,0,0,0,0|2,0,0]=4 867 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,2,0,0,0,0|2,0,0]=4 868 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [0,2,0,0,0,0|1,1,0]=4 869 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [0,2,0,0,0,0|2,0,0]=4 870 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [0,2,0,0,0,0|2,0,0]=4 871 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [0,2,0,0,0,0|2,0,0]=4 872 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [0,2,0,0,0,0|1,1,0]=4 873 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [0,2,0,0,0,0|1,1,0]=4 874 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [0,2,0,0,0,0|1,1,0]=4 875 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [0,2,0,0,0,0|1,1,0]=4 876 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [0,2,0,0,0,0|1,1,0]=4 877 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [0,2,0,0,0,0|1,1,0]=4 878 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [0,2,0,0,0,0|1,1,0]=4 879 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [0,2,0,0,0,0|1,1,0]=4 880 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [0,2,0,0,0,0|2,0,0]=4 881 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|2,0,0]=4 882 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,2,0,0,0,0|2,0,0]=4 883 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,2,0,0,0,0|2,0,0]=4 884 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,2,0,0,0,0|2,0,0]=4 885 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,2,0,0,0,0|2,0,0]=4 886 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [0,2,0,0,0,0|2,0,0]=4 887 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|2,0,0]=4 888 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,2,0,0,0,0|1,1,0]=4 889 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,2,0,0,0,0|1,1,0]=4 890 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,2,0,0,0,0|1,1,0]=4 891 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,2,0,0,0,0|1,1,0]=4 892 B7R0.18 CCC(C)(CC)SC 62a_100009817345_200000210301 [0,2,0,0,0,0|2,0,0]=4 893 B7R0.18 CCC(C)(CC)SC 62a_200000210301_100009817345 [0,2,0,0,0,0|2,0,0]=4 894 B7R0.18 CCC(C)(CC)S[13CH3] 62a_100009817345_200025704644 [0,2,0,0,0,0|2,0,0]=4 895 B7R0.18 CCC(C)(CC)S[13CH3] 62a_200025704644_100009817345 [0,2,0,0,0,0|2,0,0]=4 896 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,1,0,1,0,0|2,0,0]=4 897 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,1,0,1,0,0|2,0,0]=4 898 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,1,0,1,0,0|2,0,0]=4 899 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,1,0,1,0,0|2,0,0]=4 900 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,1,0,1,0,0|2,0,0]=4 901 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,1,0,1,0,0|2,0,0]=4 902 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,1,0,1,0,0|2,0,0]=4 903 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,1,0,1,0,0|2,0,0]=4 904 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,1,0,1,0,0|1,1,0]=4 905 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,1,0,1,0,0|1,1,0]=4 906 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,1,0,1,0,0|1,1,0]=4 907 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,1,0,1,0,0|2,0,0]=4 908 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,1,0,1,0,0|2,0,0]=4 909 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,1,0,1,0,0|1,0,0]=3 910 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,1,0,1,0,0|2,0,0]=4 911 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,1,0,1,0,0|2,0,0]=4 912 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,1,0,1,0,0|2,0,0]=4 913 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,1,0,1,0,0|1,1,0]=4 914 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,1,0,1,0,0|1,1,0]=4 915 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,1,0,1,0,0|2,0,0]=4 916 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,1,0,1,0,0|2,0,0]=4 917 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,1,0,1,0,0|1,0,0]=3 918 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,1,0,1,0,0|2,0,0]=4 919 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,1,0,1,0,0|2,0,0]=4 920 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,1,0,1,0,0|2,0,0]=4 921 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,1,0,1,0,0|2,0,0]=4 922 B7R1.6 CCNC1COC1 2230a_100016991112_100000210202 [0,1,0,1,0,0|2,0,0]=4 923 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [0,1,0,1,0,0|2,0,0]=4 924 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,1,0,1,0,0|2,0,0]=4 925 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [0,1,0,1,0,0|2,0,0]=4 926 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [0,1,0,1,0,0|2,0,0]=4 927 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [0,1,0,1,0,0|2,0,0]=4 928 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [0,1,0,1,0,0|2,0,0]=4 929 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [0,1,0,1,0,0|2,0,0]=4 930 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [0,1,0,1,0,0|2,0,0]=4 931 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,1,0,1,0,0|2,0,0]=4 932 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,1,0,1,0,0|2,0,0]=4 933 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,1,0,1,0,0|1,1,0]=4 934 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,1,0,1,0,0|1,1,0]=4 935 B7R1.6 COCC1CNC1 34a_100016987283_200000210301 [0,1,0,1,0,0|2,0,0]=4 936 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [0,1,0,1,0,0|1,1,0]=4 937 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [0,1,0,1,0,0|1,1,0]=4 938 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,1,0,1,0,0|2,0,0]=4 939 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,1,0,1,0,0|2,0,0]=4 940 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,1,0,1,0,0|1,1,0]=4 941 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,1,0,1,0,0|1,1,0]=4 942 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [0,1,0,1,0,0|1,0,0]=3 943 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [0,1,0,1,0,0|1,0,0]=3 944 B7R1.6 FCOC1CSC1 7a_100000072292_100015361967 [0,1,0,1,0,0|2,0,0]=4 945 B7R1.6 FCSC1COC1 62a_100015361967_100009818527 [0,1,0,1,0,0|2,0,0]=4 946 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [0,1,0,1,0,0|2,0,0]=4 947 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [0,1,0,1,0,0|2,0,0]=4 948 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,1,0,1,0,0|2,0,0]=4 949 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,1,0,1,0,0|1,1,0]=4 950 B7R1.6 [13CH3]OCC1CNC1 34a_100016987283_200025704644 [0,1,0,1,0,0|2,0,0]=4 951 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [0,1,0,1,0,0|1,1,0]=4 952 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,1,0,1,0,0|2,0,0]=4 953 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,1,0,1,0,0|2,0,0]=4 954 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,1,0,1,0,0|1,1,0]=4 955 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,1,0,1,0,0|1,1,0]=4 956 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [0,1,0,1,0,0|1,0,0]=3 957 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [0,1,0,1,0,0|1,0,0]=3 958 B7R1.10 CN1CC(C1)CO 269982a_100016987283_200000210301 [0,1,0,1,0,0|2,0,0]=4 959 B7R1.10 CN1CC(C1)CO 34a_100016987283_200000210301 [0,1,0,1,0,0|2,0,0]=4 960 B7R1.10 [13CH3]N1CC(C1)CO 269982a_100016987283_200025704644 [0,1,0,1,0,0|2,0,0]=4 961 B7R1.10 [13CH3]N1CC(C1)CO 34a_100016987283_200025704644 [0,1,0,1,0,0|2,0,0]=4 962 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [0,1,0,1,0,0|2,0,0]=4 963 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [0,1,0,1,0,0|1,0,0]=3 964 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [0,1,0,1,0,0|1,0,0]=3 965 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [0,1,0,1,0,0|2,0,0]=4 966 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [0,1,0,1,0,0|2,0,0]=4 967 B7R1.21 COCC1(CC1)F 34a_200000703853_200000210301 [0,1,0,1,0,0|2,0,0]=4 968 B7R1.21 COCC1(CC1)F 7a_200000703853_200000210301 [0,1,0,1,0,0|2,0,0]=4 969 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [0,1,0,1,0,0|1,1,0]=4 970 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [0,1,0,1,0,0|1,0,0]=3 971 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [0,1,0,1,0,0|1,0,0]=3 972 B7R1.21 [13CH3]OCC1(CC1)F 34a_200000703853_200025704644 [0,1,0,1,0,0|2,0,0]=4 973 B7R1.21 [13CH3]OCC1(CC1)F 7a_200000703853_200025704644 [0,1,0,1,0,0|2,0,0]=4