0 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C#CCNC 34a_100000212058_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 C#CCNC 34a_100102657272_100000184674 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 C#CCNC 7a_106832991635_100000038162 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 C#CCOC 34a_100000210247_200000210301 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.2 C#CCOC 34a_100138415774_100000184674 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.2 C#CCSC 62a_100000038162_200000210301 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.2 C=CCNC 34a_100102657272_100015514636 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.2 C=CCNC 7a_106832991635_100015514636 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.2 C=CCOC 34a_100138415774_100015514636 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.2 C=CCOC 34a_200000210373_200000210301 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.2 C=CCSC 62a_100000210623_200000210301 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.2 C=CCSC 62a_200000210301_100000210623 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.2 CCCNC 2230a_106832991635_100000210303 [0,0,0,0,0,0|3,0,0]=3 23 B4R0.2 CCCNC 34a_100102657272_100000210303 [0,0,0,0,0,0|3,0,0]=3 24 B4R0.2 CCCNC 7a_106832991635_100000210303 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.2 CCCOC 34a_100000210258_200000210301 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.2 CCCOC 34a_100138415774_100000210303 [0,0,0,0,0,0|3,0,0]=3 27 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.2 CCCSC 62a_100000210303_200000210301 [0,0,0,0,0,0|3,0,0]=3 29 B4R0.2 CCCSC 62a_200000210301_100000210303 [0,0,0,0,0,0|3,0,0]=3 30 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [0,0,0,0,0,0|3,0,0]=3 32 B4R0.2 CCNCC 2230a_100015525214_100000210202 [0,0,0,0,0,0|3,0,0]=3 33 B4R0.2 CCOCC 34a_100121572206_100000210202 [0,0,0,0,0,0|3,0,0]=3 34 B4R0.2 CCOCF 34a_100121572206_100015361967 [0,0,0,0,0,0|3,0,0]=3 35 B4R0.2 CCSCC 62a_100000210202_100000210202 [0,0,0,0,0,0|3,0,0]=3 36 B4R0.2 CCSCF 62a_100000210202_100015361967 [0,0,0,0,0,0|3,0,0]=3 37 B4R0.2 CCSCF 62a_100015361967_100000210202 [0,0,0,0,0,0|3,0,0]=3 38 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [0,0,0,0,0,0|3,0,1]=4 39 B4R0.2 CNCC#N 7a_106832991635_100011215382 [0,0,0,0,0,0|3,0,1]=4 40 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [0,0,0,0,0,0|2,0,2]=4 41 B4R0.2 CNCC=O 34a_100102657272_200009817547 [0,0,0,0,0,0|2,0,2]=4 42 B4R0.2 CNCC=O 7a_106832991635_200015260668 [0,0,0,0,0,0|2,0,2]=4 43 B4R0.2 CNCCF 2230a_106832991635_100011217306 [0,0,0,0,0,0|3,0,0]=3 44 B4R0.2 CNCCF 34a_100000724931_200000210301 [0,0,0,0,0,0|3,0,0]=3 45 B4R0.2 CNCCF 34a_100102657272_100011217306 [0,0,0,0,0,0|3,0,0]=3 46 B4R0.2 CNCCF 7a_106832991635_100011217306 [0,0,0,0,0,0|3,0,0]=3 47 B4R0.2 CNCCO 2230a_100016997473_200000210301 [0,0,0,0,0,0|2,0,0]=2 48 B4R0.2 CNCCO 2230a_106832991635_100000211926 [0,0,0,0,0,0|2,0,0]=2 49 B4R0.2 CNCCO 34a_100016990907_200000210301 [0,0,0,0,0,0|2,0,0]=2 50 B4R0.2 CNCCO 34a_100102657272_100000211926 [0,0,0,0,0,0|2,0,0]=2 51 B4R0.2 CNCCO 7a_106832991635_100000211926 [0,0,0,0,0,0|2,0,0]=2 52 B4R0.2 CNCOC 2230a_106832991635_100000766300 [0,0,0,0,0,0|4,0,0]=4 53 B4R0.2 CNCSC 2230a_106832991635_100011218213 [0,0,0,0,0,0|4,0,0]=4 54 B4R0.2 CNCSC 34a_100102657272_100011218213 [0,0,0,0,0,0|4,0,0]=4 55 B4R0.2 COCC=O 34a_100138415774_200009817547 [0,0,0,0,0,0|2,0,2]=4 56 B4R0.2 COCCBr 34a_100000211926_200000210301 [0,0,0,0,0,0|3,0,0]=3 57 B4R0.2 COCCF 34a_100138415774_100011217306 [0,0,0,0,0,0|3,0,0]=3 58 B4R0.2 COCCN 34a_100000210304_200000210301 [0,0,0,0,0,0|3,0,0]=3 59 B4R0.2 COCCO 34a_100138415774_100000211926 [0,0,0,0,0,0|2,0,0]=2 60 B4R0.2 COCSC 34a_100138415774_100011218213 [0,0,0,0,0,0|4,0,0]=4 61 B4R0.2 COCSC 62a_100000766300_200000210301 [0,0,0,0,0,0|4,0,0]=4 62 B4R0.2 COCSC 62a_200000210301_100000766300 [0,0,0,0,0,0|4,0,0]=4 63 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [0,0,0,0,0,0|4,0,0]=4 64 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [0,0,0,0,0,0|4,0,0]=4 65 B4R0.2 CSCC#N 62a_100011215382_200000210301 [0,0,0,0,0,0|3,0,1]=4 66 B4R0.2 CSCC#N 62a_200000210301_100011215382 [0,0,0,0,0,0|3,0,1]=4 67 B4R0.2 CSCC=O 62a_200000210301_200015260668 [0,0,0,0,0,0|2,0,2]=4 68 B4R0.2 CSCC=O 62a_200015260668_200000210301 [0,0,0,0,0,0|2,0,2]=4 69 B4R0.2 CSCCF 62a_100011217306_200000210301 [0,0,0,0,0,0|3,0,0]=3 70 B4R0.2 CSCCF 62a_200000210301_100011217306 [0,0,0,0,0,0|3,0,0]=3 71 B4R0.2 CSCCO 62a_100000211926_200000210301 [0,0,0,0,0,0|2,0,0]=2 72 B4R0.2 CSCCO 62a_200000210301_100000211926 [0,0,0,0,0,0|2,0,0]=2 73 B4R0.2 CSCSC 62a_100011218213_200000210301 [0,0,0,0,0,0|4,0,0]=4 74 B4R0.2 CSCSC 62a_200000210301_100011218213 [0,0,0,0,0,0|4,0,0]=4 75 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [0,0,0,0,0,0|4,0,0]=4 76 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [0,0,0,0,0,0|4,0,0]=4 77 B4R0.2 FCSCF 62a_100015361967_100015361967 [0,0,0,0,0,0|3,0,0]=3 78 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [0,0,0,0,0,0|3,0,0]=3 79 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [0,0,0,0,0,0|2,0,0]=2 80 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [0,0,0,0,0,0|2,0,0]=2 81 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [0,0,0,0,0,0|3,0,0]=3 82 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [0,0,0,0,0,0|3,0,0]=3 83 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [0,0,0,0,0,0|3,0,1]=4 84 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [0,0,0,0,0,0|3,0,1]=4 85 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [0,0,0,0,0,0|2,0,2]=4 86 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [0,0,0,0,0,0|2,0,2]=4 87 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [0,0,0,0,0,0|3,0,0]=3 88 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [0,0,0,0,0,0|3,0,0]=3 89 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [0,0,0,0,0,0|2,0,0]=2 90 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [0,0,0,0,0,0|2,0,0]=2 91 B3R0.1 CCNC 2230a_100015525214_200000210301 [1,0,0,0,0,0|2,0,0]=3 92 B3R0.1 CCNC 2230a_106832991635_100000210202 [1,0,0,0,0,0|2,0,0]=3 93 B3R0.1 CCNC 34a_100102657272_100000210202 [1,0,0,0,0,0|2,0,0]=3 94 B3R0.1 CCNC 7a_106832991635_100000210202 [1,0,0,0,0,0|2,0,0]=3 95 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [1,0,0,0,0,0|2,0,0]=3 96 B3R0.1 CCOC 34a_100121572206_200000210301 [1,0,0,0,0,0|2,0,0]=3 97 B3R0.1 CCOC 34a_100138415774_100000210202 [1,0,0,0,0,0|2,0,0]=3 98 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [1,0,0,0,0,0|2,0,0]=3 99 B3R0.1 CCSC 62a_100000210202_200000210301 [1,0,0,0,0,0|2,0,0]=3 100 B3R0.1 CCSC 62a_200000210301_100000210202 [1,0,0,0,0,0|2,0,0]=3 101 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [1,0,0,0,0,0|2,0,0]=3 102 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [1,0,0,0,0,0|2,0,0]=3 103 B3R0.1 CNCF 34a_100102657272_100015361967 [1,0,0,0,0,0|2,0,0]=3 104 B3R0.1 CNCF 7a_106832991635_100015361967 [1,0,0,0,0,0|2,0,0]=3 105 B3R0.1 COCF 34a_100138415774_100015361967 [1,0,0,0,0,0|2,0,0]=3 106 B3R0.1 CSCF 62a_100015361967_200000210301 [1,0,0,0,0,0|2,0,0]=3 107 B3R0.1 CSCF 62a_200000210301_100015361967 [1,0,0,0,0,0|2,0,0]=3 108 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [1,0,0,0,0,0|2,0,0]=3 109 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,1,0,0,0,0|1,0,2]=4 111 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,1,0,0,0,0|0,0,2]=3 112 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,1,0,0,0,0|0,0,2]=3 113 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,1,0,0,0,0|3,0,0]=4 114 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,1,0,0,0,0|3,0,0]=4 115 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,1,0,0,0,0|3,0,0]=4 116 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,1,0,0,0,0|3,0,0]=4 117 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,1,0,0,0,0|3,0,0]=4 118 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,1,0,0,0,0|3,0,0]=4 119 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,1,0,0,0,0|3,0,0]=4 120 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,1,0,0,0,0|3,0,0]=4 121 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,1,0,0,0,0|3,0,0]=4 122 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,1,0,0,0,0|3,0,0]=4 123 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,1,0,0,0,0|3,0,0]=4 124 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,1,0,0,0,0|2,0,0]=3 125 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|2,0,0]=3 126 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,1,0,0,0,0|2,0,0]=3 127 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,1,0,0,0,0|2,0,0]=3 128 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,1,0,0,0,0|1,0,2]=4 129 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,1,0,0,0,0|1,0,2]=4 130 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,1,0,0,0,0|1,0,2]=4 131 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,1,0,0,0,0|3,0,0]=4 132 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,1,0,0,0,0|3,0,0]=4 133 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,1,0,0,0,0|3,0,0]=4 134 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,1,0,0,0,0|3,0,0]=4 135 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,1,0,0,0,0|3,0,0]=4 136 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,1,0,0,0,0|3,0,0]=4 137 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,1,0,0,0,0|3,0,0]=4 138 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,1,0,0,0,0|3,0,0]=4 139 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,1,0,0,0,0|3,0,0]=4 140 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,1,0,0,0,0|3,0,0]=4 141 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,1,0,0,0,0|3,0,0]=4 142 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,1,0,0,0,0|3,0,0]=4 143 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,1,0,0,0,0|3,0,0]=4 144 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,1,0,0,0,0|3,0,0]=4 145 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,1,0,0,0,0|3,0,0]=4 146 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,1,0,0,0,0|2,0,0]=3 147 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,1,0,0,0,0|2,0,0]=3 148 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,1,0,0,0,0|2,0,0]=3 149 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,1,0,0,0,0|2,0,0]=3 150 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,1,0,0,0,0|2,0,0]=3 151 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,1,0,0,0,0|2,0,0]=3 152 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,1,0,0,0,0|2,0,1]=4 153 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,1,0,0,0,0|3,0,0]=4 154 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,1,0,0,0,0|3,0,0]=4 155 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,1,0,0,0,0|3,0,0]=4 156 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,1,0,0,0,0|3,0,0]=4 157 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,1,0,0,0,0|3,0,0]=4 158 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,1,0,0,0,0|3,0,0]=4 159 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,1,0,0,0,0|2,0,0]=3 160 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,1,0,0,0,0|2,0,0]=3 161 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,1,0,0,0,0|2,0,0]=3 162 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,1,0,0,0,0|2,0,0]=3 163 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,1,0,0,0,0|2,0,0]=3 164 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [0,1,0,0,0,0|3,0,0]=4 165 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [0,1,0,0,0,0|3,0,0]=4 166 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [0,1,0,0,0,0|3,0,0]=4 167 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [0,1,0,0,0,0|3,0,0]=4 168 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,1,0,0,0,0|2,0,0]=3 169 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,1,0,0,0,0|2,0,0]=3 170 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,1,0,0,0,0|2,0,0]=3 171 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,1,0,0,0,0|3,0,0]=4 172 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,1,0,0,0,0|3,0,0]=4 173 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,1,0,0,0,0|3,0,0]=4 174 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,1,0,0,0,0|3,0,0]=4 175 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,1,0,0,0,0|2,0,0]=3 176 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [0,1,0,0,0,0|3,0,0]=4 177 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [0,1,0,0,0,0|3,0,0]=4 178 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,1,0,0,0,0|3,0,0]=4 179 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,1,0,0,0,0|3,0,0]=4 180 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,1,0,0,0,0|2,0,0]=3 181 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,1,0,0,0,0|3,0,0]=4 182 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,1,0,0,0,0|3,0,0]=4 183 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,1,0,0,0,0|2,0,0]=3 184 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,1,0,0,0,0|2,0,0]=3 185 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [0,1,0,0,0,0|3,0,0]=4 186 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [0,1,0,0,0,0|3,0,0]=4 187 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,1,0,0,0,0|2,0,0]=3 188 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,1,0,0,0,0|2,0,0]=3 189 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,1,0,0,0,0|3,0,0]=4 190 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,1,0,0,0,0|3,0,0]=4 191 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,1,0,0,0,0|2,0,0]=3 192 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,1,0,0,0,0|2,0,0]=3 193 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,1,0,0,0,0|0,0,2]=3 194 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,1,0,0,0,0|2,0,1]=4 195 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [0,1,0,0,0,0|3,0,0]=4 196 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [0,1,0,0,0,0|3,0,0]=4 197 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [0,1,0,0,0,0|3,0,0]=4 198 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [0,1,0,0,0,0|3,0,0]=4 199 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [0,1,0,0,0,0|2,0,1]=4 200 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [0,1,0,0,0,0|2,0,1]=4 202 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [0,1,0,0,0,0|2,0,1]=4 203 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [0,1,0,0,0,0|2,0,1]=4 204 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [0,1,0,0,0,0|1,0,1]=3 205 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [0,1,0,0,0,0|1,0,1]=3 206 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [0,1,0,0,0,0|1,0,1]=3 207 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [0,1,0,0,0,0|1,1,1]=4 208 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [0,1,0,0,0,0|1,1,1]=4 209 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [0,1,0,0,0,0|1,1,1]=4 210 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [0,1,0,0,0,0|1,1,1]=4 211 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [0,1,0,0,0,0|2,0,1]=4 212 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [0,1,0,0,0,0|2,0,1]=4 213 B5R0.2 C#CCNCF 34a_100000212058_100015361967 [0,1,0,0,0,0|2,0,1]=4 214 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [0,1,0,0,0,0|2,0,1]=4 215 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [0,1,0,0,0,0|2,0,1]=4 216 B5R0.2 C#CCOCF 34a_100000210247_100015361967 [0,1,0,0,0,0|2,0,1]=4 217 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [0,1,0,0,0,0|2,0,1]=4 218 B5R0.2 C#CCSCF 62a_100000038162_100015361967 [0,1,0,0,0,0|2,0,1]=4 219 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,1,0,0,0,0|1,0,2]=4 220 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,1,0,0,0,0|1,0,2]=4 221 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,1,0,0,0,0|1,0,2]=4 222 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [0,1,0,0,0,0|2,0,1]=4 223 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [0,1,0,0,0,0|2,0,1]=4 224 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [0,1,0,0,0,0|2,0,1]=4 225 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [0,1,0,0,0,0|2,0,1]=4 226 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [0,1,0,0,0,0|2,0,1]=4 227 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [0,1,0,0,0,0|1,0,1]=3 228 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [0,1,0,0,0,0|1,0,1]=3 229 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [0,1,0,0,0,0|1,0,1]=3 230 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [0,1,0,0,0,0|1,1,1]=4 231 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [0,1,0,0,0,0|1,1,1]=4 232 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [0,1,0,0,0,0|1,1,1]=4 233 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [0,1,0,0,0,0|1,1,1]=4 234 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [0,1,0,0,0,0|2,0,1]=4 235 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [0,1,0,0,0,0|2,0,1]=4 236 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [0,1,0,0,0,0|2,0,1]=4 237 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [0,1,0,0,0,0|2,0,1]=4 238 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [0,1,0,0,0,0|2,0,1]=4 239 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [0,1,0,0,0,0|2,0,1]=4 240 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [0,1,0,0,0,0|2,0,1]=4 241 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [0,1,0,0,0,0|2,0,1]=4 242 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [0,1,0,0,0,0|2,0,1]=4 243 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [0,1,0,0,0,0|1,0,2]=4 244 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [0,1,0,0,0,0|1,0,2]=4 245 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [0,1,0,0,0,0|1,0,2]=4 246 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,1,0,0,0,0|1,0,2]=4 247 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [0,1,0,0,0,0|2,0,0]=3 248 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [0,1,0,0,0,0|2,0,0]=3 249 B5R0.2 CCCCNC 34a_100102657272_100000210210 [0,1,0,0,0,0|2,0,0]=3 250 B5R0.2 CCCCNC 7a_106832991635_100000210211 [0,1,0,0,0,0|2,0,0]=3 251 B5R0.2 CCCCNC 7a_106832991798_200000210301 [0,1,0,0,0,0|2,0,0]=3 252 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [0,1,0,0,0,0|2,0,0]=3 253 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [0,1,0,0,0,0|2,0,0]=3 254 B5R0.2 CCCCOC 34a_100000210227_200000210301 [0,1,0,0,0,0|1,0,0]=2 255 B5R0.2 CCCCOC 34a_100138415774_100000210210 [0,1,0,0,0,0|1,0,0]=2 256 B5R0.2 CCCCOC 7a_100000210227_200000210301 [0,1,0,0,0,0|1,0,0]=2 257 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [0,1,0,0,0,0|1,0,0]=2 258 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [0,1,0,0,0,0|1,0,0]=2 259 B5R0.2 CCCCSC 62a_100000210211_200000210301 [0,1,0,0,0,0|1,1,0]=3 260 B5R0.2 CCCCSC 62a_200000210301_100000210210 [0,1,0,0,0,0|1,1,0]=3 261 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [0,1,0,0,0,0|1,1,0]=3 262 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [0,1,0,0,0,0|1,1,0]=3 263 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [0,1,0,0,0,0|2,0,0]=3 264 B5R0.2 CCCOCC 34a_100000210258_100000210202 [0,1,0,0,0,0|2,0,0]=3 265 B5R0.2 CCCOCC 34a_100121572206_100000210303 [0,1,0,0,0,0|2,0,0]=3 266 B5R0.2 CCCOCF 34a_100000210258_100015361967 [0,1,0,0,0,0|2,0,0]=3 267 B5R0.2 CCCSCC 62a_100000210202_100000210303 [0,1,0,0,0,0|2,0,0]=3 268 B5R0.2 CCCSCC 62a_100000210303_100000210202 [0,1,0,0,0,0|2,0,0]=3 269 B5R0.2 CCCSCF 62a_100000210303_100015361967 [0,1,0,0,0,0|2,0,0]=3 270 B5R0.2 CCCSCF 62a_100015361967_100000210303 [0,1,0,0,0,0|2,0,0]=3 271 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [0,1,0,0,0,0|2,0,1]=4 272 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [0,1,0,0,0,0|1,0,2]=4 273 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [0,1,0,0,0,0|2,0,0]=3 274 B5R0.2 CCNCCF 34a_100000724931_100000210202 [0,1,0,0,0,0|2,0,0]=3 275 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [0,1,0,0,0,0|1,0,0]=2 276 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [0,1,0,0,0,0|1,0,0]=2 277 B5R0.2 CCNCCO 34a_100016990907_100000210202 [0,1,0,0,0,0|1,0,0]=2 278 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [0,1,0,0,0,0|2,0,0]=3 279 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [0,1,0,0,0,0|2,1,0]=4 280 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [0,1,0,0,0,0|1,0,2]=4 281 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [0,1,0,0,0,0|2,0,0]=3 282 B5R0.2 CCOCCF 34a_100121572206_100011217306 [0,1,0,0,0,0|2,0,0]=3 283 B5R0.2 CCOCCN 34a_100000210304_100000210202 [0,1,0,0,0,0|2,0,0]=3 284 B5R0.2 CCOCCO 34a_100121572206_100000211926 [0,1,0,0,0,0|1,0,0]=2 285 B5R0.2 CCOCSC 34a_100121572206_100011218213 [0,1,0,0,0,0|2,1,0]=4 286 B5R0.2 CCOCSC 62a_100000739092_200000210301 [0,1,0,0,0,0|2,1,0]=4 287 B5R0.2 CCOCSC 62a_200000210301_100000739092 [0,1,0,0,0,0|2,1,0]=4 288 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [0,1,0,0,0,0|2,1,0]=4 289 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [0,1,0,0,0,0|2,1,0]=4 290 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [0,1,0,0,0,0|2,0,1]=4 291 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [0,1,0,0,0,0|2,0,1]=4 292 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [0,1,0,0,0,0|1,0,2]=4 293 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [0,1,0,0,0,0|1,0,2]=4 294 B5R0.2 CCSCCF 62a_100000210202_100011217306 [0,1,0,0,0,0|2,0,0]=3 295 B5R0.2 CCSCCF 62a_100011217306_100000210202 [0,1,0,0,0,0|2,0,0]=3 296 B5R0.2 CCSCCO 62a_100000210202_100000211926 [0,1,0,0,0,0|1,0,0]=2 297 B5R0.2 CCSCCO 62a_100000211926_100000210202 [0,1,0,0,0,0|1,0,0]=2 298 B5R0.2 CCSCOC 62a_100000210202_100000766300 [0,1,0,0,0,0|2,0,0]=3 299 B5R0.2 CCSCOC 62a_100000766300_100000210202 [0,1,0,0,0,0|2,0,0]=3 300 B5R0.2 CCSCSC 62a_100000210202_100011218213 [0,1,0,0,0,0|2,1,0]=4 301 B5R0.2 CCSCSC 62a_100011218213_100000210202 [0,1,0,0,0,0|2,1,0]=4 302 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [0,1,0,0,0,0|2,0,1]=4 303 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [0,1,0,0,0,0|2,0,1]=4 304 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [0,1,0,0,0,0|2,0,0]=3 305 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [0,1,0,0,0,0|2,0,0]=3 306 B5R0.2 CNCCCF 34a_100015189416_200000210301 [0,1,0,0,0,0|2,0,0]=3 307 B5R0.2 CNCCCF 34a_100102657272_100011934791 [0,1,0,0,0,0|2,0,0]=3 308 B5R0.2 CNCCCF 7a_106832991635_100011934791 [0,1,0,0,0,0|2,0,0]=3 309 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [0,1,0,0,0,0|1,0,0]=2 310 B5R0.2 CNCCCO 34a_100102657272_100000230001 [0,1,0,0,0,0|1,0,0]=2 311 B5R0.2 CNCCCO 7a_106832991635_100011215043 [0,1,0,0,0,0|1,0,0]=2 312 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [0,1,0,0,0,0|2,0,0]=3 313 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [0,1,0,0,0,0|2,0,0]=3 314 B5R0.2 CNCCOC 34a_100102657272_100011201679 [0,1,0,0,0,0|2,0,0]=3 315 B5R0.2 CNCCOC 7a_106832991635_100000233755 [0,1,0,0,0,0|2,0,0]=3 316 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [0,1,0,0,0,0|2,1,0]=4 317 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [0,1,0,0,0,0|2,1,0]=4 318 B5R0.2 CNCCSC 34a_100102657272_100000212216 [0,1,0,0,0,0|2,1,0]=4 319 B5R0.2 CNCCSC 7a_106832991635_100000212216 [0,1,0,0,0,0|2,1,0]=4 320 B5R0.2 COCCCBr 34a_100011217188_200000210301 [0,1,0,0,0,0|1,0,0]=2 321 B5R0.2 COCCCCl 34a_100000230001_200000210301 [0,1,0,0,0,0|1,0,0]=2 322 B5R0.2 COCCCF 34a_100000759539_200000210301 [0,1,0,0,0,0|1,0,0]=2 323 B5R0.2 COCCCF 34a_100138415774_100011934791 [0,1,0,0,0,0|1,0,0]=2 324 B5R0.2 COCCCN 34a_100000182051_200000210301 [0,1,0,0,0,0|1,0,0]=2 325 B5R0.2 COCCCO 34a_100138415774_100000230001 [0,1,0,0,0,0|0,0,0]=1 326 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [0,1,0,0,0,0|2,0,0]=3 327 B5R0.2 COCCOC 34a_100000210237_200000210301 [0,1,0,0,0,0|2,0,0]=3 328 B5R0.2 COCCOC 34a_100138415774_100011201679 [0,1,0,0,0,0|2,0,0]=3 329 B5R0.2 COCCON 34a_100000700252_200000210301 [0,1,0,0,0,0|2,0,0]=3 330 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [0,1,0,0,0,0|2,0,0]=3 331 B5R0.2 COCCSC 34a_100000230434_200000210301 [0,1,0,0,0,0|2,0,0]=3 332 B5R0.2 COCCSC 34a_100138415774_100000212216 [0,1,0,0,0,0|2,0,0]=3 333 B5R0.2 COCCSC 62a_100000233755_200000210301 [0,1,0,0,0,0|2,0,0]=3 334 B5R0.2 COCCSC 62a_200000210301_100000233755 [0,1,0,0,0,0|2,0,0]=3 335 B5R0.2 COCCSC 7a_100000230434_200000210301 [0,1,0,0,0,0|2,0,0]=3 336 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [0,1,0,0,0,0|2,0,0]=3 337 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [0,1,0,0,0,0|2,0,0]=3 338 B5R0.2 COCSCF 62a_100000766300_100015361967 [0,1,0,0,0,0|2,0,0]=3 339 B5R0.2 COCSCF 62a_100015361967_100000766300 [0,1,0,0,0,0|2,0,0]=3 340 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [0,1,0,0,0,0|1,1,1]=4 341 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [0,1,0,0,0,0|1,1,1]=4 342 B5R0.2 CSCCCF 62a_100011934791_200000210301 [0,1,0,0,0,0|1,1,0]=3 343 B5R0.2 CSCCCF 62a_200000210301_100011934791 [0,1,0,0,0,0|1,1,0]=3 344 B5R0.2 CSCCCO 62a_100011215043_200000210301 [0,1,0,0,0,0|0,1,0]=2 345 B5R0.2 CSCCCO 62a_200000210301_100011215043 [0,1,0,0,0,0|0,1,0]=2 346 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [0,1,0,0,0,0|2,1,0]=4 347 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [0,1,0,0,0,0|2,0,0]=3 348 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [0,1,0,0,0,0|2,0,0]=3 349 B5R0.2 CSCCSC 62a_100000212216_200000210301 [0,1,0,0,0,0|2,1,0]=4 350 B5R0.2 CSCCSC 62a_200000210301_100000751147 [0,1,0,0,0,0|2,1,0]=4 351 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [0,1,0,0,0,0|2,1,0]=4 352 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [0,1,0,0,0,0|2,1,0]=4 353 B5R0.2 CSCSCF 62a_100011218213_100015361967 [0,1,0,0,0,0|2,1,0]=4 354 B5R0.2 CSCSCF 62a_100015361967_100011218213 [0,1,0,0,0,0|2,1,0]=4 355 B5R0.2 FCCNCF 34a_100000724931_100015361967 [0,1,0,0,0,0|2,0,0]=3 356 B5R0.2 FCCSCF 62a_100011217306_100015361967 [0,1,0,0,0,0|2,0,0]=3 357 B5R0.2 FCCSCF 62a_100015361967_100011217306 [0,1,0,0,0,0|2,0,0]=3 358 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [0,1,0,0,0,0|2,0,0]=3 359 B5R0.2 N#CCSCF 62a_100011215382_100015361967 [0,1,0,0,0,0|2,0,1]=4 360 B5R0.2 N#CCSCF 62a_100015361967_100011215382 [0,1,0,0,0,0|2,0,1]=4 361 B5R0.2 NCCOCF 34a_100000210304_100015361967 [0,1,0,0,0,0|2,0,0]=3 362 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [0,1,0,0,0,0|1,0,2]=4 363 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [0,1,0,0,0,0|1,0,2]=4 364 B5R0.2 OCCNCF 34a_100016990907_100015361967 [0,1,0,0,0,0|1,0,0]=2 365 B5R0.2 OCCSCF 62a_100000211926_100015361967 [0,1,0,0,0,0|1,0,0]=2 366 B5R0.2 OCCSCF 62a_100015361967_100000211926 [0,1,0,0,0,0|1,0,0]=2 367 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [0,1,0,0,0,0|2,0,0]=3 368 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [0,1,0,0,0,0|2,0,0]=3 369 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [0,1,0,0,0,0|1,0,0]=2 370 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [0,1,0,0,0,0|1,0,0]=2 371 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [0,1,0,0,0,0|1,0,0]=2 372 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [0,1,0,0,0,0|1,0,0]=2 373 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [0,1,0,0,0,0|2,0,0]=3 374 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [0,1,0,0,0,0|1,1,1]=4 375 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [0,1,0,0,0,0|1,1,1]=4 376 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [0,1,0,0,0,0|1,1,0]=3 377 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [0,1,0,0,0,0|1,1,0]=3 378 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [0,1,0,0,0,0|0,1,0]=2 379 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [0,1,0,0,0,0|0,1,0]=2 380 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,1,0,0,0,0|3,0,0]=4 381 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,1,0,0,0,0|3,0,0]=4 382 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|3,0,0]=4 383 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,1,0,0,0,0|2,0,0]=3 384 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,1,0,0,0,0|2,0,1]=4 385 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,1,0,0,0,0|2,0,1]=4 386 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,1,0,0,0,0|1,0,1]=3 387 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,1,0,0,0,0|3,0,0]=4 388 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,1,0,0,0,0|3,0,0]=4 389 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,1,0,0,0,0|3,0,0]=4 390 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,1,0,0,0,0|3,0,0]=4 391 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,1,0,0,0,0|3,0,0]=4 392 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,1,0,0,0,0|3,0,0]=4 393 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,1,0,0,0,0|3,0,0]=4 394 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,1,0,0,0,0|3,0,0]=4 395 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,1,0,0,0,0|3,0,0]=4 396 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,1,0,0,0,0|3,0,0]=4 397 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,1,0,0,0,0|3,0,0]=4 398 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,1,0,0,0,0|3,0,0]=4 399 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,1,0,0,0,0|3,0,0]=4 400 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,1,0,0,0,0|3,0,0]=4 401 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,1,0,0,0,0|3,0,0]=4 402 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,1,0,0,0,0|3,0,0]=4 403 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,1,0,0,0,0|3,0,0]=4 404 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,1,0,0,0,0|3,0,0]=4 405 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,1,0,0,0,0|3,0,0]=4 406 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,1,0,0,0,0|3,0,0]=4 407 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,1,0,0,0,0|3,0,0]=4 408 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,1,0,0,0,0|2,0,1]=4 409 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,1,0,0,0,0|2,0,1]=4 410 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,1,0,0,0,0|2,0,0]=3 411 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,1,0,0,0,0|2,0,0]=3 412 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,1,0,0,0,0|2,0,0]=3 413 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,1,0,0,0,0|2,0,0]=3 414 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,1,0,0,0,0|3,0,0]=4 415 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,1,0,0,0,0|3,0,0]=4 416 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,1,0,0,0,0|3,0,0]=4 417 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,1,0,0,0,0|2,0,0]=3 418 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,1,0,0,0,0|2,0,0]=3 419 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,1,0,0,0,0|2,0,0]=3 420 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,1,0,0,0,0|2,0,0]=3 421 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,1,0,0,0,0|2,0,0]=3 422 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,1,0,0,0,0|2,0,0]=3 423 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,1,0,0,0,0|2,0,0]=3 424 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,1,0,0,0,0|1,0,1]=3 425 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,0,0,1,0,0|3,0,0]=4 426 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,0,0,1,0,0|3,0,0]=4 427 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [0,0,0,1,0,0|3,0,0]=4 428 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [0,0,0,1,0,0|3,0,0]=4 429 B5R1.3 COC1CC1 34a_100138415774_100000211595 [0,0,0,1,0,0|3,0,0]=4 430 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [0,0,0,1,0,0|3,0,0]=4 431 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [0,0,0,1,0,0|3,0,0]=4 432 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [0,0,0,1,0,0|3,0,0]=4 433 B2R0.1 CNC 2230a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 434 B2R0.1 CNC 34a_100102657272_200000210301 [2,0,0,0,0,0|1,0,0]=3 435 B2R0.1 CNC 7a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 436 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 437 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [2,0,0,0,0,0|1,0,0]=3 438 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 439 B2R0.1 COC 34a_100138415774_200000210301 [2,0,0,0,0,0|1,0,0]=3 440 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [2,0,0,0,0,0|1,0,0]=3 441 B2R0.1 CSC 62a_200000210301_200000210301 [2,0,0,0,0,0|1,0,0]=3 442 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [2,0,0,0,0,0|1,0,0]=3 443 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [2,0,0,0,0,0|1,0,0]=3 444 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [2,0,0,0,0,0|1,0,0]=3 445 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,1,0,0,0,0|1,0,1]=4 446 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,1,0,0,0,0|0,0,1]=3 447 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,1,0,0,0,0|2,0,0]=4 448 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,1,0,0,0,0|2,0,0]=4 449 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,1,0,0,0,0|2,0,0]=4 450 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,1,0,0,0,0|2,0,0]=4 451 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,1,0,0,0,0|2,0,0]=4 452 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,1,0,0,0,0|0,0,2]=4 453 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,1,0,0,0,0|0,0,2]=4 454 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,1,0,0,0,0|0,0,2]=4 455 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,1,0,0,0,0|2,0,0]=4 456 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,1,0,0,0,0|2,0,0]=4 457 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,1,0,0,0,0|2,0,0]=4 458 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,1,0,0,0,0|2,0,0]=4 459 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,1,0,0,0,0|2,0,0]=4 460 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,1,0,0,0,0|2,0,0]=4 461 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,1,0,0,0,0|2,0,0]=4 462 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,1,0,0,0,0|2,0,0]=4 463 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,1,0,0,0,0|2,0,0]=4 464 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,1,0,0,0,0|2,0,0]=4 465 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,1,0,0,0,0|2,0,0]=4 466 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,1,0,0,0,0|2,0,0]=4 467 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,1,0,0,0,0|2,0,0]=4 468 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,1,0,0,0,0|2,0,0]=4 469 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,1,0,0,0,0|2,0,0]=4 470 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,1,0,0,0,0|2,0,0]=4 471 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,1,0,0,0,0|0,0,1]=3 472 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,2,0,0,0,0|0,0,2]=4 473 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,2,0,0,0,0|1,0,1]=4 474 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,2,0,0,0,0|1,0,1]=4 475 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,2,0,0,0,0|1,0,1]=4 476 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,2,0,0,0,0|1,0,1]=4 477 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,2,0,0,0,0|1,0,1]=4 478 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,2,0,0,0,0|0,0,2]=4 479 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,2,0,0,0,0|1,0,1]=4 480 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,2,0,0,0,0|1,0,1]=4 481 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,2,0,0,0,0|1,0,1]=4 482 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,2,0,0,0,0|1,0,1]=4 483 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,2,0,0,0,0|2,0,0]=4 484 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,2,0,0,0,0|2,0,0]=4 485 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,2,0,0,0,0|2,0,0]=4 486 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,2,0,0,0,0|1,0,1]=4 487 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,2,0,0,0,0|2,0,0]=4 488 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,2,0,0,0,0|2,0,0]=4 489 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,2,0,0,0,0|2,0,0]=4 490 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,2,0,0,0,0|2,0,0]=4 491 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,2,0,0,0,0|1,0,1]=4 492 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,2,0,0,0,0|1,0,1]=4 493 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,2,0,0,0,0|1,0,1]=4 494 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,2,0,0,0,0|1,0,1]=4 495 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,2,0,0,0,0|1,0,1]=4 496 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,2,0,0,0,0|1,0,1]=4 497 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,2,0,0,0,0|1,0,1]=4 498 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,2,0,0,0,0|1,0,0]=3 499 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,2,0,0,0,0|0,1,0]=3 500 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,2,0,0,0,0|0,1,0]=3 501 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,2,0,0,0,0|2,0,0]=4 502 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,2,0,0,0,0|2,0,0]=4 503 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,2,0,0,0,0|1,0,0]=3 504 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,2,0,0,0,0|2,0,0]=4 505 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,2,0,0,0,0|1,0,0]=3 506 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,2,0,0,0,0|1,0,0]=3 507 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,2,0,0,0,0|2,0,0]=4 508 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,2,0,0,0,0|1,0,0]=3 509 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,2,0,0,0,0|1,0,0]=3 510 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,2,0,0,0,0|1,0,1]=4 511 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,2,0,0,0,0|1,0,1]=4 512 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,2,0,0,0,0|1,0,1]=4 513 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,2,0,0,0,0|2,0,0]=4 514 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,2,0,0,0,0|2,0,0]=4 515 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,2,0,0,0,0|2,0,0]=4 516 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,2,0,0,0,0|2,0,0]=4 517 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,2,0,0,0,0|2,0,0]=4 518 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,2,0,0,0,0|2,0,0]=4 519 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,2,0,0,0,0|1,0,0]=3 520 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,2,0,0,0,0|1,1,0]=4 521 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,2,0,0,0,0|1,1,0]=4 522 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,2,0,0,0,0|1,1,0]=4 523 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,2,0,0,0,0|1,1,0]=4 524 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,2,0,0,0,0|2,0,0]=4 525 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,2,0,0,0,0|2,0,0]=4 526 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,2,0,0,0,0|2,0,0]=4 527 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,2,0,0,0,0|2,0,0]=4 528 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,2,0,0,0,0|2,0,0]=4 529 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,2,0,0,0,0|2,0,0]=4 530 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,2,0,0,0,0|2,0,0]=4 531 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,2,0,0,0,0|2,0,0]=4 532 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,2,0,0,0,0|1,0,0]=3 533 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,2,0,0,0,0|1,1,0]=4 534 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,2,0,0,0,0|1,1,0]=4 535 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,2,0,0,0,0|1,1,0]=4 536 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,2,0,0,0,0|1,1,0]=4 537 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,2,0,0,0,0|2,0,0]=4 538 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,2,0,0,0,0|2,0,0]=4 539 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,2,0,0,0,0|2,0,0]=4 540 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,2,0,0,0,0|1,0,0]=3 541 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,2,0,0,0,0|2,0,0]=4 542 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,2,0,0,0,0|2,0,0]=4 543 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,2,0,0,0,0|2,0,0]=4 544 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,2,0,0,0,0|2,0,0]=4 545 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,2,0,0,0,0|2,0,0]=4 546 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,2,0,0,0,0|2,0,0]=4 547 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,2,0,0,0,0|1,0,0]=3 548 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,2,0,0,0,0|1,0,0]=3 549 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,2,0,0,0,0|1,0,0]=3 550 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,2,0,0,0,0|1,0,0]=3 551 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,2,0,0,0,0|1,0,0]=3 552 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,2,0,0,0,0|1,1,0]=4 553 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,2,0,0,0,0|1,1,0]=4 554 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,2,0,0,0,0|1,1,0]=4 555 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,2,0,0,0,0|1,1,0]=4 556 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,2,0,0,0,0|2,0,0]=4 557 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,2,0,0,0,0|2,0,0]=4 558 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,2,0,0,0,0|2,0,0]=4 559 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,2,0,0,0,0|2,0,0]=4 560 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,2,0,0,0,0|2,0,0]=4 561 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,2,0,0,0,0|2,0,0]=4 562 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,2,0,0,0,0|2,0,0]=4 563 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,2,0,0,0,0|2,0,0]=4 564 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,2,0,0,0,0|2,0,0]=4 565 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,2,0,0,0,0|2,0,0]=4 566 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,2,0,0,0,0|2,0,0]=4 567 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,2,0,0,0,0|1,0,0]=3 568 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,2,0,0,0,0|1,0,0]=3 569 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,2,0,0,0,0|1,0,0]=3 570 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,2,0,0,0,0|1,0,0]=3 571 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,2,0,0,0,0|1,0,0]=3 572 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,2,0,0,0,0|1,0,0]=3 573 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,2,0,0,0,0|2,0,0]=4 574 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,2,0,0,0,0|2,0,0]=4 575 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,2,0,0,0,0|1,0,0]=3 576 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,2,0,0,0,0|1,0,0]=3 577 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,2,0,0,0,0|1,0,1]=4 578 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,2,0,0,0,0|1,0,1]=4 579 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,2,0,0,0,0|2,0,0]=4 580 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,2,0,0,0,0|2,0,0]=4 581 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,2,0,0,0,0|1,0,0]=3 582 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,2,0,0,0,0|1,0,0]=3 583 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,2,0,0,0,0|2,0,0]=4 584 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,2,0,0,0,0|2,0,0]=4 585 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,2,0,0,0,0|2,0,0]=4 586 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,2,0,0,0,0|2,0,0]=4 587 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,2,0,0,0,0|2,0,0]=4 588 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,2,0,0,0,0|1,0,0]=3 589 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,2,0,0,0,0|2,0,0]=4 590 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,2,0,0,0,0|2,0,0]=4 591 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,2,0,0,0,0|1,0,0]=3 592 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,2,0,0,0,0|2,0,0]=4 593 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,2,0,0,0,0|2,0,0]=4 594 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,2,0,0,0,0|1,0,0]=3 595 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,2,0,0,0,0|1,0,0]=3 596 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,2,0,0,0,0|2,0,0]=4 597 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,2,0,0,0,0|2,0,0]=4 598 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,2,0,0,0,0|2,0,0]=4 599 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,2,0,0,0,0|1,0,0]=3 600 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,2,0,0,0,0|1,0,0]=3 601 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,2,0,0,0,0|1,0,0]=3 602 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,2,0,0,0,0|1,1,0]=4 603 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,2,0,0,0,0|1,1,0]=4 604 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,2,0,0,0,0|1,1,0]=4 605 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,2,0,0,0,0|1,1,0]=4 606 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,2,0,0,0,0|1,0,0]=3 607 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,2,0,0,0,0|0,0,2]=4 608 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,2,0,0,0,0|1,0,0]=3 609 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,2,0,0,0,0|1,0,0]=3 610 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,2,0,0,0,0|1,0,0]=3 611 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,2,0,0,0,0|2,0,0]=4 612 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,2,0,0,0,0|2,0,0]=4 613 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,2,0,0,0,0|2,0,0]=4 614 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,2,0,0,0,0|2,0,0]=4 615 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,2,0,0,0,0|1,0,0]=3 616 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,2,0,0,0,0|1,0,0]=3 617 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,2,0,0,0,0|1,0,0]=3 618 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,2,0,0,0,0|1,0,0]=3 619 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,2,0,0,0,0|1,0,0]=3 620 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,2,0,0,0,0|1,0,0]=3 621 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,2,0,0,0,0|1,0,0]=3 622 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,2,0,0,0,0|2,0,0]=4 623 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,2,0,0,0,0|1,0,0]=3 624 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,2,0,0,0,0|2,0,0]=4 625 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,2,0,0,0,0|2,0,0]=4 626 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,2,0,0,0,0|2,0,0]=4 627 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,2,0,0,0,0|1,0,0]=3 628 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,2,0,0,0,0|1,0,0]=3 629 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,2,0,0,0,0|1,0,0]=3 630 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,2,0,0,0,0|1,0,0]=3 631 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,2,0,0,0,0|1,0,0]=3 632 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,2,0,0,0,0|1,0,0]=3 633 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,2,0,0,0,0|2,0,0]=4 634 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,2,0,0,0,0|1,0,0]=3 635 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,2,0,0,0,0|0,0,0]=2 636 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,2,0,0,0,0|2,0,0]=4 637 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,2,0,0,0,0|2,0,0]=4 638 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,2,0,0,0,0|2,0,0]=4 639 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,2,0,0,0,0|1,0,1]=4 640 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,2,0,0,0,0|1,0,0]=3 641 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,2,0,0,0,0|2,0,0]=4 642 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,2,0,0,0,0|2,0,0]=4 643 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,2,0,0,0,0|2,0,0]=4 644 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,2,0,0,0,0|2,0,0]=4 645 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,2,0,0,0,0|2,0,0]=4 646 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,2,0,0,0,0|2,0,0]=4 647 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,2,0,0,0,0|1,0,0]=3 648 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,2,0,0,0,0|0,0,0]=2 649 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,2,0,0,0,0|0,0,0]=2 650 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,2,0,0,0,0|2,0,0]=4 651 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,2,0,0,0,0|2,0,0]=4 652 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,2,0,0,0,0|2,0,0]=4 653 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,2,0,0,0,0|1,0,0]=3 654 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,2,0,0,0,0|0,0,0]=2 655 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,2,0,0,0,0|1,0,0]=3 656 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,2,0,0,0,0|2,0,0]=4 657 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,2,0,0,0,0|0,1,0]=3 658 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,2,0,0,0,0|0,1,0]=3 659 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,2,0,0,0,0|0,1,0]=3 660 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,2,0,0,0,0|0,1,0]=3 661 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,2,0,0,0,0|0,1,0]=3 662 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,2,0,0,0,0|0,1,0]=3 663 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,2,0,0,0,0|1,1,0]=4 664 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,2,0,0,0,0|1,1,0]=4 665 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,2,0,0,0,0|0,1,0]=3 666 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,2,0,0,0,0|0,1,0]=3 667 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,2,0,0,0,0|0,1,0]=3 668 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,2,0,0,0,0|0,1,0]=3 669 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,2,0,0,0,0|1,0,0]=3 670 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,2,0,0,0,0|1,0,0]=3 671 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,2,0,0,0,0|1,0,0]=3 672 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,2,0,0,0,0|1,0,0]=3 673 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,2,0,0,0,0|1,0,1]=4 674 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,2,0,0,0,0|1,0,0]=3 675 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,2,0,0,0,0|1,0,0]=3 676 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,2,0,0,0,0|0,0,0]=2 677 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,2,0,0,0,0|1,0,0]=3 678 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,2,0,0,0,0|1,0,0]=3 679 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,2,0,0,0,0|1,0,0]=3 680 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,2,0,0,0,0|1,0,0]=3 681 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,2,0,0,0,0|0,1,0]=3 682 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,2,0,0,0,0|0,1,0]=3 683 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,2,0,0,0,0|1,1,0]=4 684 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,2,0,0,0,0|1,1,0]=4 685 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,2,0,0,0,0|0,1,0]=3 686 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,2,0,0,0,0|0,1,0]=3 687 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,2,0,0,0,0|0,0,2]=4 688 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,2,0,0,0,0|0,0,2]=4 689 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,2,0,0,0,0|2,0,0]=4 690 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,2,0,0,0,0|2,0,0]=4 691 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,2,0,0,0,0|2,0,0]=4 692 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,2,0,0,0,0|2,0,0]=4 693 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,2,0,0,0,0|2,0,0]=4 694 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,2,0,0,0,0|2,0,0]=4 695 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,2,0,0,0,0|0,0,2]=4 696 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,2,0,0,0,0|2,0,0]=4 697 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,2,0,0,0,0|2,0,0]=4 698 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,2,0,0,0,0|0,0,2]=4 699 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,2,0,0,0,0|1,0,1]=4 700 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,2,0,0,0,0|2,0,0]=4 701 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,2,0,0,0,0|2,0,0]=4 702 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,2,0,0,0,0|2,0,0]=4 703 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,2,0,0,0,0|2,0,0]=4 704 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,2,0,0,0,0|2,0,0]=4 705 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,2,0,0,0,0|1,0,1]=4 706 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,2,0,0,0,0|1,0,1]=4 707 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,2,0,0,0,0|1,0,1]=4 708 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,2,0,0,0,0|1,0,1]=4 709 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,2,0,0,0,0|2,0,0]=4 710 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,2,0,0,0,0|1,0,1]=4 711 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,2,0,0,0,0|1,0,1]=4 712 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,2,0,0,0,0|0,0,2]=4 713 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,2,0,0,0,0|1,0,1]=4 714 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,2,0,0,0,0|1,0,1]=4 715 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,2,0,0,0,0|1,0,1]=4 716 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,2,0,0,0,0|1,0,1]=4 717 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,2,0,0,0,0|1,0,1]=4 718 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,2,0,0,0,0|1,0,1]=4 719 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,2,0,0,0,0|0,0,1]=3 720 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,2,0,0,0,0|0,0,2]=4 721 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,2,0,0,0,0|0,0,2]=4 722 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,2,0,0,0,0|0,0,2]=4 723 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,2,0,0,0,0|0,0,2]=4 724 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,2,0,0,0,0|1,0,0]=3 725 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,2,0,0,0,0|2,0,0]=4 726 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,2,0,0,0,0|1,0,0]=3 727 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,2,0,0,0,0|1,0,0]=3 728 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,2,0,0,0,0|1,1,0]=4 729 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,2,0,0,0,0|1,1,0]=4 730 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,2,0,0,0,0|2,0,0]=4 731 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,2,0,0,0,0|2,0,0]=4 732 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,2,0,0,0,0|2,0,0]=4 733 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,2,0,0,0,0|2,0,0]=4 734 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,2,0,0,0,0|2,0,0]=4 735 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,2,0,0,0,0|2,0,0]=4 736 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,2,0,0,0,0|2,0,0]=4 737 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,2,0,0,0,0|1,0,0]=3 738 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,2,0,0,0,0|1,0,0]=3 739 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,2,0,0,0,0|1,0,0]=3 740 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,2,0,0,0,0|1,0,0]=3 741 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,2,0,0,0,0|2,0,0]=4 742 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,2,0,0,0,0|2,0,0]=4 743 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,2,0,0,0,0|2,0,0]=4 744 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,2,0,0,0,0|1,0,0]=3 745 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,2,0,0,0,0|2,0,0]=4 746 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,2,0,0,0,0|2,0,0]=4 747 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,2,0,0,0,0|1,0,0]=3 748 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,2,0,0,0,0|1,0,0]=3 749 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [0,2,0,0,0,0|2,0,0]=4 750 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,2,0,0,0,0|1,0,0]=3 751 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,2,0,0,0,0|0,1,0]=3 752 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,2,0,0,0,0|0,1,0]=3 753 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,2,0,0,0,0|1,0,0]=3 754 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,2,0,0,0,0|1,0,0]=3 755 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,2,0,0,0,0|1,0,0]=3 756 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,2,0,0,0,0|1,0,1]=4 757 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,2,0,0,0,0|1,0,1]=4 758 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,2,0,0,0,0|1,0,1]=4 759 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,2,0,0,0,0|2,0,0]=4 760 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,2,0,0,0,0|2,0,0]=4 761 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,2,0,0,0,0|2,0,0]=4 762 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,2,0,0,0,0|2,0,0]=4 763 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,2,0,0,0,0|2,0,0]=4 764 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,2,0,0,0,0|2,0,0]=4 765 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,2,0,0,0,0|2,0,0]=4 766 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,2,0,0,0,0|2,0,0]=4 767 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,2,0,0,0,0|2,0,0]=4 768 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,2,0,0,0,0|2,0,0]=4 769 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,2,0,0,0,0|2,0,0]=4 770 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,2,0,0,0,0|2,0,0]=4 771 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,2,0,0,0,0|1,0,1]=4 772 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,2,0,0,0,0|2,0,0]=4 773 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,2,0,0,0,0|2,0,0]=4 774 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,2,0,0,0,0|2,0,0]=4 775 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,2,0,0,0,0|2,0,0]=4 776 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,2,0,0,0,0|1,0,0]=3 777 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,2,0,0,0,0|1,0,0]=3 778 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,2,0,0,0,0|1,0,0]=3 779 B6R0.4 CCNCC(F)F 2230a_100015525214_100011934356 [0,2,0,0,0,0|2,0,0]=4 780 B6R0.4 CCNCC(F)F 34a_100000765723_100000210202 [0,2,0,0,0,0|2,0,0]=4 781 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,2,0,0,0,0|1,0,0]=3 782 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,2,0,0,0,0|2,0,0]=4 783 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,2,0,0,0,0|2,0,0]=4 784 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,2,0,0,0,0|2,0,0]=4 785 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,2,0,0,0,0|2,0,0]=4 786 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,2,0,0,0,0|1,0,0]=3 787 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [0,2,0,0,0,0|2,0,0]=4 788 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [0,2,0,0,0,0|2,0,0]=4 789 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,2,0,0,0,0|2,0,0]=4 790 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,2,0,0,0,0|2,0,0]=4 791 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,2,0,0,0,0|1,0,0]=3 792 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,2,0,0,0,0|2,0,0]=4 793 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,2,0,0,0,0|2,0,0]=4 794 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,2,0,0,0,0|1,0,0]=3 795 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,2,0,0,0,0|1,0,0]=3 796 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [0,2,0,0,0,0|2,0,0]=4 797 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [0,2,0,0,0,0|2,0,0]=4 798 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,2,0,0,0,0|1,0,0]=3 799 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,2,0,0,0,0|1,0,0]=3 800 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,2,0,0,0,0|2,0,0]=4 801 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,2,0,0,0,0|2,0,0]=4 802 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,2,0,0,0,0|1,0,0]=3 803 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,2,0,0,0,0|1,0,0]=3 804 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,2,0,0,0,0|1,0,0]=3 805 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,2,0,0,0,0|1,0,0]=3 806 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,2,0,0,0,0|1,0,0]=3 807 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,2,0,0,0,0|1,0,0]=3 808 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,2,0,0,0,0|2,0,0]=4 809 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,2,0,0,0,0|2,0,0]=4 810 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,2,0,0,0,0|2,0,0]=4 811 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,2,0,0,0,0|2,0,0]=4 812 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,2,0,0,0,0|1,0,0]=3 813 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,2,0,0,0,0|1,0,0]=3 814 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,2,0,0,0,0|1,0,0]=3 815 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,2,0,0,0,0|1,0,0]=3 816 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,2,0,0,0,0|0,0,2]=4 817 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,2,0,0,0,0|0,0,2]=4 818 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,2,0,0,0,0|0,0,2]=4 819 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,2,0,0,0,0|0,0,2]=4 820 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,2,0,0,0,0|0,0,2]=4 821 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,2,0,0,0,0|0,0,2]=4 822 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,2,0,0,0,0|0,0,2]=4 823 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,2,0,0,0,0|0,0,2]=4 824 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,2,0,0,0,0|1,0,0]=3 825 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,2,0,0,0,0|1,0,0]=3 826 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,2,0,0,0,0|1,0,0]=3 827 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,2,0,0,0,0|1,0,0]=3 828 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,2,0,0,0,0|0,0,0]=2 829 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [0,2,0,0,0,0|1,0,0]=3 830 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,2,0,0,0,0|2,0,0]=4 831 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,2,0,0,0,0|2,0,0]=4 832 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,2,0,0,0,0|2,0,0]=4 833 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,2,0,0,0,0|2,0,0]=4 834 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,2,0,0,0,0|2,0,0]=4 835 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,2,0,0,0,0|2,0,0]=4 836 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,2,0,0,0,0|1,0,0]=3 837 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,2,0,0,0,0|2,0,0]=4 838 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,2,0,0,0,0|2,0,0]=4 839 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,2,0,0,0,0|2,0,0]=4 840 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,2,0,0,0,0|2,0,0]=4 841 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,2,0,0,0,0|1,1,0]=4 842 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,2,0,0,0,0|1,1,0]=4 843 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,2,0,0,0,0|0,1,0]=3 844 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,2,0,0,0,0|0,1,0]=3 845 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [0,2,0,0,0,0|2,0,0]=4 846 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,2,0,0,0,0|1,0,0]=3 847 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,2,0,0,0,0|2,0,0]=4 848 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,2,0,0,0,0|1,0,0]=3 849 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,2,0,0,0,0|1,0,0]=3 850 B6R0.4 FCNCC(F)F 34a_100000765723_100015361967 [0,2,0,0,0,0|2,0,0]=4 851 B6R0.4 FCOCC(F)F 34a_100000743014_100015361967 [0,2,0,0,0,0|2,0,0]=4 852 B6R0.4 FCSCC(F)F 62a_100011934356_100015361967 [0,2,0,0,0,0|2,0,0]=4 853 B6R0.4 FCSCC(F)F 62a_100015361967_100011934356 [0,2,0,0,0,0|2,0,0]=4 854 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,2,0,0,0,0|1,0,1]=4 855 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,2,0,0,0,0|0,0,2]=4 856 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,2,0,0,0,0|0,0,2]=4 857 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [0,2,0,0,0,0|1,0,0]=3 858 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [0,2,0,0,0,0|2,0,0]=4 859 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [0,2,0,0,0,0|2,0,0]=4 860 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [0,2,0,0,0,0|2,0,0]=4 861 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [0,2,0,0,0,0|2,0,0]=4 862 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [0,2,0,0,0,0|2,0,0]=4 863 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [0,2,0,0,0,0|2,0,0]=4 864 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,2,0,0,0,0|2,0,0]=4 865 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [0,2,0,0,0,0|2,0,0]=4 866 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [0,2,0,0,0,0|2,0,0]=4 867 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [0,2,0,0,0,0|2,0,0]=4 868 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [0,2,0,0,0,0|2,0,0]=4 869 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [0,2,0,0,0,0|2,0,0]=4 870 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [0,2,0,0,0,0|2,0,0]=4 871 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [0,2,0,0,0,0|2,0,0]=4 872 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [0,2,0,0,0,0|1,0,0]=3 873 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [0,2,0,0,0,0|1,0,0]=3 874 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [0,2,0,0,0,0|1,0,0]=3 875 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [0,2,0,0,0,0|1,0,0]=3 876 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [0,2,0,0,0,0|1,0,0]=3 877 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [0,2,0,0,0,0|1,1,0]=4 878 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [0,2,0,0,0,0|1,1,0]=4 879 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [0,2,0,0,0,0|1,1,0]=4 880 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [0,2,0,0,0,0|1,1,0]=4 881 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [0,2,0,0,0,0|2,0,0]=4 882 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [0,2,0,0,0,0|2,0,0]=4 883 B6R0.6 C#CCCNCF 34a_100000755551_100015361967 [0,2,0,0,0,0|2,0,0]=4 884 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [0,2,0,0,0,0|1,0,1]=4 885 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [0,2,0,0,0,0|1,0,1]=4 886 B6R0.6 C#CCCOCF 34a_100011215631_100015361967 [0,2,0,0,0,0|1,0,1]=4 887 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [0,2,0,0,0,0|2,0,0]=4 888 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [0,2,0,0,0,0|2,0,0]=4 889 B6R0.6 C#CCCSCF 62a_100000688953_100015361967 [0,2,0,0,0,0|2,0,0]=4 890 B6R0.6 C#CCCSCF 62a_100015361967_100000688953 [0,2,0,0,0,0|2,0,0]=4 891 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,2,0,0,0,0|2,0,0]=4 892 B6R0.6 C#CCNCCF 34a_100000212058_100011217306 [0,2,0,0,0,0|2,0,0]=4 893 B6R0.6 C#CCNCCF 34a_100000724931_100000184674 [0,2,0,0,0,0|2,0,0]=4 894 B6R0.6 C#CCNCCO 2230a_100016997473_100000038162 [0,2,0,0,0,0|1,0,0]=3 895 B6R0.6 C#CCNCCO 34a_100000212058_100000211926 [0,2,0,0,0,0|1,0,0]=3 896 B6R0.6 C#CCNCCO 34a_100016990907_100000184674 [0,2,0,0,0,0|1,0,0]=3 897 B6R0.6 C#CCOCCBr 34a_100000211926_100000184674 [0,2,0,0,0,0|2,0,0]=4 898 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,2,0,0,0,0|2,0,0]=4 899 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,2,0,0,0,0|2,0,0]=4 900 B6R0.6 C#CCOCCF 34a_100000210247_100011217306 [0,2,0,0,0,0|2,0,0]=4 901 B6R0.6 C#CCOCCN 34a_100000210304_100000184674 [0,2,0,0,0,0|2,0,0]=4 902 B6R0.6 C#CCOCCO 34a_100000210247_100000211926 [0,2,0,0,0,0|1,0,0]=3 903 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,2,0,0,0,0|2,0,0]=4 904 B6R0.6 C#CCSCCF 62a_100000038162_100011217306 [0,2,0,0,0,0|2,0,0]=4 905 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [0,2,0,0,0,0|1,0,0]=3 906 B6R0.6 C#CCSCOC 62a_100000038162_100000766300 [0,2,0,0,0,0|1,0,1]=4 907 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,2,0,0,0,0|1,0,1]=4 908 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,2,0,0,0,0|1,0,1]=4 909 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,2,0,0,0,0|2,0,0]=4 910 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,2,0,0,0,0|2,0,0]=4 911 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,2,0,0,0,0|2,0,0]=4 912 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,2,0,0,0,0|2,0,0]=4 913 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,2,0,0,0,0|2,0,0]=4 914 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,2,0,0,0,0|2,0,0]=4 915 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,2,0,0,0,0|2,0,0]=4 916 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,2,0,0,0,0|1,0,0]=3 917 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,2,0,0,0,0|1,0,0]=3 918 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,2,0,0,0,0|1,0,0]=3 919 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,2,0,0,0,0|1,0,0]=3 920 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,2,0,0,0,0|1,0,0]=3 921 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,2,0,0,0,0|1,1,0]=4 922 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,2,0,0,0,0|1,1,0]=4 923 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,2,0,0,0,0|1,1,0]=4 924 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,2,0,0,0,0|1,1,0]=4 925 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,2,0,0,0,0|2,0,0]=4 926 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,2,0,0,0,0|2,0,0]=4 927 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,2,0,0,0,0|1,0,1]=4 928 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,2,0,0,0,0|1,0,1]=4 929 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [0,2,0,0,0,0|1,0,1]=4 930 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,2,0,0,0,0|2,0,0]=4 931 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,2,0,0,0,0|2,0,0]=4 932 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [0,2,0,0,0,0|2,0,0]=4 933 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [0,2,0,0,0,0|2,0,0]=4 934 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,2,0,0,0,0|2,0,0]=4 935 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [0,2,0,0,0,0|2,0,0]=4 936 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [0,2,0,0,0,0|2,0,0]=4 937 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [0,2,0,0,0,0|1,0,0]=3 938 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [0,2,0,0,0,0|1,0,0]=3 939 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [0,2,0,0,0,0|1,0,0]=3 940 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [0,2,0,0,0,0|1,0,1]=4 941 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,2,0,0,0,0|2,0,0]=4 942 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,2,0,0,0,0|2,0,0]=4 943 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,2,0,0,0,0|2,0,0]=4 944 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,2,0,0,0,0|2,0,0]=4 945 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,2,0,0,0,0|2,0,0]=4 946 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,2,0,0,0,0|1,0,0]=3 947 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,2,0,0,0,0|2,0,0]=4 948 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,2,0,0,0,0|2,0,0]=4 949 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [0,2,0,0,0,0|2,0,0]=4 950 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [0,2,0,0,0,0|2,0,0]=4 951 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,2,0,0,0,0|1,0,0]=3 952 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,2,0,0,0,0|1,0,0]=3 953 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [0,2,0,0,0,0|1,0,1]=4 954 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [0,2,0,0,0,0|1,0,1]=4 955 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [0,2,0,0,0,0|2,0,0]=4 956 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [0,2,0,0,0,0|2,0,0]=4 957 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [0,2,0,0,0,0|2,0,0]=4 958 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [0,2,0,0,0,0|1,0,1]=4 959 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [0,2,0,0,0,0|1,0,1]=4 960 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [0,2,0,0,0,0|1,0,1]=4 961 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [0,2,0,0,0,0|2,0,0]=4 962 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [0,2,0,0,0,0|2,0,0]=4 963 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [0,2,0,0,0,0|2,0,0]=4 964 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [0,2,0,0,0,0|2,0,0]=4 965 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [0,2,0,0,0,0|1,0,1]=4 966 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [0,2,0,0,0,0|1,0,1]=4 967 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [0,2,0,0,0,0|1,0,1]=4 968 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [0,2,0,0,0,0|1,0,1]=4 969 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [0,2,0,0,0,0|1,0,1]=4 970 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [0,2,0,0,0,0|1,0,1]=4 971 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [0,2,0,0,0,0|1,0,1]=4 972 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [0,2,0,0,0,0|1,0,1]=4 973 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [0,2,0,0,0,0|1,0,1]=4 974 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,2,0,0,0,0|2,0,0]=4 975 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,2,0,0,0,0|2,0,0]=4 976 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,2,0,0,0,0|2,0,0]=4 977 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,2,0,0,0,0|2,0,0]=4 978 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,2,0,0,0,0|2,0,0]=4 979 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,2,0,0,0,0|1,0,0]=3 980 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,2,0,0,0,0|1,0,0]=3 981 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,2,0,0,0,0|1,0,0]=3 982 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,2,0,0,0,0|1,0,0]=3 983 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,2,0,0,0,0|1,0,0]=3 984 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,2,0,0,0,0|1,1,0]=4 985 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,2,0,0,0,0|1,1,0]=4 986 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,2,0,0,0,0|1,1,0]=4 987 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,2,0,0,0,0|1,1,0]=4 988 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,2,0,0,0,0|2,0,0]=4 989 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,2,0,0,0,0|2,0,0]=4 990 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,2,0,0,0,0|2,0,0]=4 991 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [0,2,0,0,0,0|2,0,0]=4 992 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,2,0,0,0,0|1,0,0]=3 993 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,2,0,0,0,0|1,0,0]=3 994 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,2,0,0,0,0|1,0,0]=3 995 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,2,0,0,0,0|1,0,0]=3 996 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,2,0,0,0,0|1,0,0]=3 997 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,2,0,0,0,0|1,1,0]=4 998 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,2,0,0,0,0|1,1,0]=4 999 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,2,0,0,0,0|1,1,0]=4 1000 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,2,0,0,0,0|1,1,0]=4 1001 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,2,0,0,0,0|2,0,0]=4 1002 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,2,0,0,0,0|1,0,0]=3 1003 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,2,0,0,0,0|1,0,0]=3 1004 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,2,0,0,0,0|1,0,1]=4 1005 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,2,0,0,0,0|2,0,0]=4 1006 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,2,0,0,0,0|2,0,0]=4 1007 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,2,0,0,0,0|2,0,0]=4 1008 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,2,0,0,0,0|2,0,0]=4 1009 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,2,0,0,0,0|1,0,0]=3 1010 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,2,0,0,0,0|1,1,0]=4 1011 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,2,0,0,0,0|2,0,0]=4 1012 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,2,0,0,0,0|2,0,0]=4 1013 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,2,0,0,0,0|1,0,1]=4 1014 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,2,0,0,0,0|1,0,1]=4 1015 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,2,0,0,0,0|2,0,0]=4 1016 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,2,0,0,0,0|2,0,0]=4 1017 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,2,0,0,0,0|2,0,0]=4 1018 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,2,0,0,0,0|1,0,0]=3 1019 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,2,0,0,0,0|1,0,0]=3 1020 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,2,0,0,0,0|1,0,0]=3 1021 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,2,0,0,0,0|1,0,0]=3 1022 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,2,0,0,0,0|1,1,0]=4 1023 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,2,0,0,0,0|1,1,0]=4 1024 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [0,2,0,0,0,0|2,0,0]=4 1025 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,2,0,0,0,0|2,0,0]=4 1026 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,2,0,0,0,0|2,0,0]=4 1027 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,2,0,0,0,0|2,0,0]=4 1028 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,2,0,0,0,0|1,0,0]=3 1029 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [0,2,0,0,0,0|1,0,0]=3 1030 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [0,2,0,0,0,0|1,0,0]=3 1031 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,2,0,0,0,0|1,1,0]=4 1032 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,2,0,0,0,0|1,1,0]=4 1033 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,2,0,0,0,0|1,0,0]=3 1034 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,2,0,0,0,0|1,0,0]=3 1035 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,2,0,0,0,0|1,0,0]=3 1036 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,2,0,0,0,0|1,0,0]=3 1037 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,2,0,0,0,0|1,0,0]=3 1038 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,2,0,0,0,0|0,0,0]=2 1039 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,2,0,0,0,0|2,0,0]=4 1040 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,2,0,0,0,0|2,0,0]=4 1041 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,2,0,0,0,0|2,0,0]=4 1042 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,2,0,0,0,0|2,0,0]=4 1043 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,2,0,0,0,0|2,0,0]=4 1044 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,2,0,0,0,0|2,0,0]=4 1045 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,2,0,0,0,0|2,0,0]=4 1046 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,2,0,0,0,0|1,0,0]=3 1047 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,2,0,0,0,0|1,0,0]=3 1048 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,2,0,0,0,0|1,0,0]=3 1049 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,2,0,0,0,0|1,0,0]=3 1050 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,2,0,0,0,0|1,0,0]=3 1051 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,2,0,0,0,0|1,0,0]=3 1052 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,2,0,0,0,0|1,0,0]=3 1053 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,2,0,0,0,0|1,0,0]=3 1054 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,2,0,0,0,0|1,1,0]=4 1055 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,2,0,0,0,0|1,1,0]=4 1056 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,2,0,0,0,0|1,1,0]=4 1057 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,2,0,0,0,0|1,1,0]=4 1058 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,2,0,0,0,0|1,1,0]=4 1059 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,2,0,0,0,0|1,1,0]=4 1060 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,2,0,0,0,0|1,1,0]=4 1061 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [0,2,0,0,0,0|2,0,0]=4 1062 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [0,2,0,0,0,0|2,0,0]=4 1063 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [0,2,0,0,0,0|2,0,0]=4 1064 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [0,2,0,0,0,0|2,0,0]=4 1065 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [0,2,0,0,0,0|2,0,0]=4 1066 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [0,2,0,0,0,0|2,0,0]=4 1067 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,2,0,0,0,0|1,1,0]=4 1068 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,2,0,0,0,0|1,1,0]=4 1069 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,2,0,0,0,0|0,1,0]=3 1070 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,2,0,0,0,0|0,1,0]=3 1071 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,2,0,0,0,0|2,0,0]=4 1072 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,2,0,0,0,0|2,0,0]=4 1073 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,2,0,0,0,0|2,0,0]=4 1074 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,2,0,0,0,0|2,0,0]=4 1075 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,2,0,0,0,0|2,0,0]=4 1076 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,2,0,0,0,0|1,0,0]=3 1077 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,2,0,0,0,0|1,0,0]=3 1078 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,2,0,0,0,0|1,0,0]=3 1079 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,2,0,0,0,0|1,0,0]=3 1080 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,2,0,0,0,0|1,0,0]=3 1081 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,2,0,0,0,0|1,0,0]=3 1082 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,2,0,0,0,0|1,0,0]=3 1083 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,2,0,0,0,0|1,1,0]=4 1084 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,2,0,0,0,0|1,1,0]=4 1085 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,2,0,0,0,0|1,1,0]=4 1086 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,2,0,0,0,0|1,1,0]=4 1087 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,2,0,0,0,0|1,1,0]=4 1088 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,2,0,0,0,0|1,1,0]=4 1089 B6R0.6 CNCC#CCO 2230a_106832991635_200000047223 [0,2,0,0,0,0|1,0,1]=4 1090 B6R0.6 CNCC#CCO 34a_100102657272_200000047223 [0,2,0,0,0,0|1,0,1]=4 1091 B6R0.6 CNCC#CCO 7a_106832991635_200000047223 [0,2,0,0,0,0|1,0,1]=4 1092 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [0,2,0,0,0,0|2,0,0]=4 1093 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [0,2,0,0,0,0|2,0,0]=4 1094 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,2,0,0,0,0|1,0,1]=4 1095 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,2,0,0,0,0|1,0,1]=4 1096 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,2,0,0,0,0|2,0,0]=4 1097 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,2,0,0,0,0|2,0,0]=4 1098 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,2,0,0,0,0|2,0,0]=4 1099 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,2,0,0,0,0|1,0,0]=3 1100 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,2,0,0,0,0|1,0,0]=3 1101 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,2,0,0,0,0|1,0,0]=3 1102 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,2,0,0,0,0|1,0,0]=3 1103 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,2,0,0,0,0|1,0,0]=3 1104 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [0,2,0,0,0,0|1,0,0]=3 1105 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [0,2,0,0,0,0|1,0,0]=3 1106 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [0,2,0,0,0,0|1,0,0]=3 1107 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [0,2,0,0,0,0|1,0,0]=3 1108 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [0,2,0,0,0,0|1,0,0]=3 1109 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [0,2,0,0,0,0|1,0,0]=3 1110 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [0,2,0,0,0,0|1,1,0]=4 1111 B6R0.6 COCC#CCCl 34a_200000047223_200000210301 [0,2,0,0,0,0|1,0,1]=4 1112 B6R0.6 COCC#CCO 34a_100138415774_200000047223 [0,2,0,0,0,0|0,0,1]=3 1113 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,2,0,0,0,0|1,0,0]=3 1114 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,2,0,0,0,0|1,0,0]=3 1115 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,2,0,0,0,0|1,0,0]=3 1116 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,2,0,0,0,0|1,0,0]=3 1117 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,2,0,0,0,0|1,0,0]=3 1118 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,2,0,0,0,0|1,0,0]=3 1119 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,2,0,0,0,0|1,0,0]=3 1120 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,2,0,0,0,0|1,0,0]=3 1121 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,2,0,0,0,0|0,0,0]=2 1122 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [0,2,0,0,0,0|1,0,0]=3 1123 B6R0.6 COCCCOC 34a_100000740835_200000210301 [0,2,0,0,0,0|0,0,0]=2 1124 B6R0.6 COCCCOC 34a_100138415774_100000740836 [0,2,0,0,0,0|0,0,0]=2 1125 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [0,2,0,0,0,0|0,0,0]=2 1126 B6R0.6 COCCCSC 34a_100000690336_200000210301 [0,2,0,0,0,0|0,1,0]=3 1127 B6R0.6 COCCCSC 62a_100000709357_200000210301 [0,2,0,0,0,0|0,1,0]=3 1128 B6R0.6 COCCCSC 62a_200000210301_100000709357 [0,2,0,0,0,0|0,1,0]=3 1129 B6R0.6 COCCCSC 7a_100000690336_200000210301 [0,2,0,0,0,0|0,1,0]=3 1130 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [0,2,0,0,0,0|0,1,0]=3 1131 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [0,2,0,0,0,0|0,1,0]=3 1132 B6R0.6 COCCOCF 34a_100000210237_100015361967 [0,2,0,0,0,0|1,0,0]=3 1133 B6R0.6 COCCSCF 62a_100000233755_100015361967 [0,2,0,0,0,0|1,0,0]=3 1134 B6R0.6 COCCSCF 62a_100015361967_100000233755 [0,2,0,0,0,0|1,0,0]=3 1135 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [0,2,0,0,0,0|0,0,0]=2 1136 B6R0.6 COCSCC#N 62a_100000766300_100011215382 [0,2,0,0,0,0|1,0,1]=4 1137 B6R0.6 COCSCC#N 62a_100011215382_100000766300 [0,2,0,0,0,0|1,0,1]=4 1138 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,2,0,0,0,0|0,0,2]=4 1139 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,2,0,0,0,0|0,0,2]=4 1140 B6R0.6 COCSCCF 62a_100000766300_100011217306 [0,2,0,0,0,0|1,0,0]=3 1141 B6R0.6 COCSCCF 62a_100011217306_100000766300 [0,2,0,0,0,0|1,0,0]=3 1142 B6R0.6 COCSCCO 62a_100000211926_100000766300 [0,2,0,0,0,0|0,0,0]=2 1143 B6R0.6 COCSCCO 62a_100000766300_100000211926 [0,2,0,0,0,0|0,0,0]=2 1144 B6R0.6 COCSCOC 62a_100000766300_100000766300 [0,2,0,0,0,0|1,0,0]=3 1145 B6R0.6 COCSCSC 62a_100000766300_100011218213 [0,2,0,0,0,0|1,1,0]=4 1146 B6R0.6 COCSCSC 62a_100011218213_100000766300 [0,2,0,0,0,0|1,1,0]=4 1147 B6R0.6 CSCC#CCO 62a_200000047223_200000210301 [0,2,0,0,0,0|0,1,1]=4 1148 B6R0.6 CSCC#CCO 62a_200000210301_200000047223 [0,2,0,0,0,0|0,1,1]=4 1149 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [0,2,0,0,0,0|1,1,0]=4 1150 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [0,2,0,0,0,0|1,1,0]=4 1151 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,2,0,0,0,0|0,1,1]=4 1152 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,2,0,0,0,0|0,1,1]=4 1153 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,2,0,0,0,0|1,1,0]=4 1154 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,2,0,0,0,0|1,1,0]=4 1155 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,2,0,0,0,0|0,1,0]=3 1156 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,2,0,0,0,0|0,1,0]=3 1157 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [0,2,0,0,0,0|1,1,0]=4 1158 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [0,2,0,0,0,0|0,1,0]=3 1159 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [0,2,0,0,0,0|0,1,0]=3 1160 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [0,2,0,0,0,0|1,1,0]=4 1161 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [0,2,0,0,0,0|1,1,0]=4 1162 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [0,2,0,0,0,0|1,1,0]=4 1163 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [0,2,0,0,0,0|1,1,0]=4 1164 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [0,2,0,0,0,0|1,1,0]=4 1165 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [0,2,0,0,0,0|0,1,0]=3 1166 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [0,2,0,0,0,0|0,1,0]=3 1167 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,2,0,0,0,0|1,1,0]=4 1168 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,2,0,0,0,0|1,1,0]=4 1169 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [0,2,0,0,0,0|1,1,0]=4 1170 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [0,2,0,0,0,0|1,1,0]=4 1171 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [0,2,0,0,0,0|0,1,0]=3 1172 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [0,2,0,0,0,0|0,1,0]=3 1173 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [0,2,0,0,0,0|2,0,0]=4 1174 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [0,2,0,0,0,0|1,0,0]=3 1175 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [0,2,0,0,0,0|1,1,0]=4 1176 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [0,2,0,0,0,0|1,1,0]=4 1177 B6R0.6 FCCNCCF 34a_100000724931_100011217306 [0,2,0,0,0,0|2,0,0]=4 1178 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [0,2,0,0,0,0|2,0,0]=4 1179 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [0,2,0,0,0,0|2,0,0]=4 1180 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [0,2,0,0,0,0|1,0,0]=3 1181 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [0,2,0,0,0,0|1,0,0]=3 1182 B6R0.6 N#CCCSCF 62a_100011215226_100015361967 [0,2,0,0,0,0|2,0,0]=4 1183 B6R0.6 N#CCCSCF 62a_100015361967_100011215226 [0,2,0,0,0,0|2,0,0]=4 1184 B6R0.6 N#CCNCCO 2230a_100016997473_100011215382 [0,2,0,0,0,0|1,0,0]=3 1185 B6R0.6 N#CCSCCF 62a_100011215382_100011217306 [0,2,0,0,0,0|2,0,0]=4 1186 B6R0.6 N#CCSCCF 62a_100011217306_100011215382 [0,2,0,0,0,0|2,0,0]=4 1187 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [0,2,0,0,0,0|1,0,0]=3 1188 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [0,2,0,0,0,0|1,0,0]=3 1189 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,2,0,0,0,0|1,0,0]=3 1190 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,2,0,0,0,0|1,0,1]=4 1191 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [0,2,0,0,0,0|2,0,0]=4 1192 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [0,2,0,0,0,0|1,0,0]=3 1193 B6R0.6 NOCCOCF 34a_100000700252_100015361967 [0,2,0,0,0,0|1,0,0]=3 1194 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [0,2,0,0,0,0|1,0,1]=4 1195 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,2,0,0,0,0|0,0,1]=3 1196 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,2,0,0,0,0|0,0,1]=3 1197 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,2,0,0,0,0|1,0,1]=4 1198 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,2,0,0,0,0|1,0,1]=4 1199 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,2,0,0,0,0|1,0,1]=4 1200 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,2,0,0,0,0|0,0,1]=3 1201 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,2,0,0,0,0|0,0,1]=3 1202 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [0,2,0,0,0,0|0,1,0]=3 1203 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [0,2,0,0,0,0|0,1,0]=3 1204 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [0,2,0,0,0,0|1,0,0]=3 1205 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [0,2,0,0,0,0|1,0,0]=3 1206 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [0,2,0,0,0,0|1,0,0]=3 1207 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [0,2,0,0,0,0|0,0,0]=2 1208 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [0,2,0,0,0,0|0,0,0]=2 1209 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [0,2,0,0,0,0|1,0,0]=3 1210 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [0,2,0,0,0,0|1,0,0]=3 1211 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [0,2,0,0,0,0|1,0,0]=3 1212 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [0,2,0,0,0,0|0,0,0]=2 1213 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,2,0,0,0,0|1,0,0]=3 1214 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,2,0,0,0,0|1,0,0]=3 1215 B6R0.6 [13CH3]OCC#CCCl 34a_200000047223_200025704644 [0,2,0,0,0,0|1,0,1]=4 1216 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,2,0,0,0,0|1,0,0]=3 1217 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,2,0,0,0,0|1,0,0]=3 1218 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,2,0,0,0,0|1,0,0]=3 1219 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,2,0,0,0,0|1,0,0]=3 1220 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,2,0,0,0,0|1,0,0]=3 1221 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,2,0,0,0,0|1,0,0]=3 1222 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,2,0,0,0,0|1,0,0]=3 1223 B6R0.6 [13CH3]SCC#CCO 62a_200000047223_200025704644 [0,2,0,0,0,0|0,1,1]=4 1224 B6R0.6 [13CH3]SCC#CCO 62a_200025704644_200000047223 [0,2,0,0,0,0|0,1,1]=4 1225 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [0,2,0,0,0,0|1,1,0]=4 1226 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [0,2,0,0,0,0|1,1,0]=4 1227 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,2,0,0,0,0|0,1,1]=4 1228 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,2,0,0,0,0|0,1,1]=4 1229 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,2,0,0,0,0|1,1,0]=4 1230 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,2,0,0,0,0|1,1,0]=4 1231 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,2,0,0,0,0|0,1,0]=3 1232 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,2,0,0,0,0|0,1,0]=3 1233 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [0,2,0,0,0,0|2,0,0]=4 1234 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [0,2,0,0,0,0|2,0,0]=4 1235 B6R0.8 CSC(F)(F)CO 62a_100011217949_200000210301 [0,2,0,0,0,0|2,0,0]=4 1236 B6R0.8 CSC(F)(F)CO 62a_200000210301_100011217949 [0,2,0,0,0,0|2,0,0]=4 1237 B6R0.8 [13CH3]SC(F)(F)CO 62a_100011217949_200025704644 [0,2,0,0,0,0|2,0,0]=4 1238 B6R0.8 [13CH3]SC(F)(F)CO 62a_200025704644_100011217949 [0,2,0,0,0,0|2,0,0]=4 1239 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [0,2,0,0,0,0|1,0,1]=4 1240 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [0,2,0,0,0,0|1,0,1]=4 1241 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [0,2,0,0,0,0|1,0,1]=4 1242 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [0,2,0,0,0,0|1,0,1]=4 1243 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [0,2,0,0,0,0|2,0,0]=4 1244 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [0,2,0,0,0,0|2,0,0]=4 1245 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [0,2,0,0,0,0|2,0,0]=4 1246 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [0,2,0,0,0,0|2,0,0]=4 1247 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [0,2,0,0,0,0|2,0,0]=4 1248 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [0,2,0,0,0,0|2,0,0]=4 1249 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [0,2,0,0,0,0|2,0,0]=4 1250 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [0,2,0,0,0,0|2,0,0]=4 1251 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [0,2,0,0,0,0|2,0,0]=4 1252 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [0,2,0,0,0,0|2,0,0]=4 1253 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [0,2,0,0,0,0|1,0,0]=3 1254 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [0,2,0,0,0,0|1,0,0]=3 1255 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [0,2,0,0,0,0|0,0,0]=2 1256 B6R0.9 COC(CCl)CCl 7a_100000737055_200000210301 [0,2,0,0,0,0|2,0,0]=4 1257 B6R0.9 COC(CF)CF 34a_100000032261_200000210301 [0,2,0,0,0,0|2,0,0]=4 1258 B6R0.9 COC(CF)CF 7a_100000032261_200000210301 [0,2,0,0,0,0|2,0,0]=4 1259 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [0,2,0,0,0,0|2,0,0]=4 1260 B6R0.9 CO[C@@H](CF)CCl 34a_100015614560_200000210301 [0,2,0,0,0,0|2,0,0]=4 1261 B6R0.9 CO[C@@H](CF)CCl 7a_100015614560_200000210301 [0,2,0,0,0,0|2,0,0]=4 1262 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [0,2,0,0,0,0|0,0,0]=2 1263 B6R0.9 [13CH3]OC(CCl)CCl 7a_100000737055_200025704644 [0,2,0,0,0,0|2,0,0]=4 1264 B6R0.9 [13CH3]OC(CF)CF 34a_100000032261_200025704644 [0,2,0,0,0,0|2,0,0]=4 1265 B6R0.9 [13CH3]OC(CF)CF 7a_100000032261_200025704644 [0,2,0,0,0,0|2,0,0]=4 1266 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [0,2,0,0,0,0|2,0,0]=4 1267 B6R0.9 [13CH3]O[C@@H](CF)CCl 34a_100015614560_200025704644 [0,2,0,0,0,0|2,0,0]=4 1268 B6R0.9 [13CH3]O[C@@H](CF)CCl 7a_100015614560_200025704644 [0,2,0,0,0,0|2,0,0]=4 1269 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,1,0,1,0,0|2,0,0]=4 1270 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,1,0,1,0,0|2,0,0]=4 1271 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,1,0,1,0,0|2,0,0]=4 1272 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,1,0,1,0,0|2,0,0]=4 1273 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [0,1,0,1,0,0|2,0,0]=4 1274 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,1,0,1,0,0|2,0,0]=4 1275 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,1,0,1,0,0|2,0,0]=4 1276 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [0,1,0,1,0,0|2,0,0]=4 1277 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [0,1,0,1,0,0|2,0,0]=4 1278 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [0,1,0,1,0,0|2,0,0]=4 1279 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [0,1,0,1,0,0|2,0,0]=4 1280 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [0,1,0,1,0,0|2,0,0]=4 1281 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [0,1,0,1,0,0|2,0,0]=4 1282 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [0,1,0,1,0,0|1,0,0]=3 1283 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [0,1,0,1,0,0|1,0,0]=3 1284 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [0,1,0,1,0,0|1,0,0]=3 1285 B6R1.3 CNCC1CS1 7a_106832991635_100000031435 [0,1,0,1,0,0|1,1,0]=4 1286 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [0,1,0,1,0,0|1,0,0]=3 1287 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [0,1,0,1,0,0|1,0,0]=3 1288 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [0,1,0,1,0,0|1,0,0]=3 1289 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [0,1,0,1,0,0|0,0,0]=2 1290 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [0,1,0,1,0,0|0,0,0]=2 1291 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [0,1,0,1,0,0|1,1,0]=4 1292 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [0,1,0,1,0,0|1,1,0]=4 1293 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [0,1,0,1,0,0|0,1,0]=3 1294 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [0,1,0,1,0,0|0,1,0]=3 1295 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [0,1,0,1,0,0|0,2,0]=4 1296 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [0,1,0,1,0,0|0,2,0]=4 1297 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [0,1,0,1,0,0|0,1,0]=3 1298 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [0,1,0,1,0,0|0,1,0]=3 1299 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [0,1,0,1,0,0|2,0,0]=4 1300 B6R1.3 FCSC1CC1 62a_100015361967_100000211595 [0,1,0,1,0,0|2,0,0]=4 1301 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [0,1,0,1,0,0|2,0,0]=4 1302 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [0,1,0,1,0,0|2,0,0]=4 1303 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [0,1,0,1,0,0|1,0,0]=3 1304 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [0,1,0,1,0,0|0,0,0]=2 1305 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [0,1,0,1,0,0|1,1,0]=4 1306 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [0,1,0,1,0,0|1,1,0]=4 1307 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [0,1,0,1,0,0|0,1,0]=3 1308 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [0,1,0,1,0,0|0,1,0]=3 1309 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [0,1,0,1,0,0|0,2,0]=4 1310 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [0,1,0,1,0,0|0,2,0]=4 1311 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [0,1,0,1,0,0|0,1,0]=3 1312 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [0,1,0,1,0,0|0,1,0]=3 1313 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [0,1,0,1,0,0|2,0,0]=4 1314 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [0,1,0,1,0,0|2,0,0]=4 1315 B6R1.8 CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000210301 [0,1,0,1,0,0|2,0,0]=4 1316 B6R1.8 CN[C@@H]1C[C@H]1F 2230a_100025746932_200000210301 [0,1,0,1,0,0|2,0,0]=4 1317 B6R1.8 CN[C@@H]1C[C@H]1F 34a_100025746932_200000210301 [0,1,0,1,0,0|2,0,0]=4 1318 B6R1.8 [13CH3]N[C@@H]1C[C@@H]1F 2230a_100015190264_200025704644 [0,1,0,1,0,0|2,0,0]=4 1319 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 2230a_100025746932_200025704644 [0,1,0,1,0,0|2,0,0]=4 1320 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 34a_100025746932_200025704644 [0,1,0,1,0,0|2,0,0]=4 1321 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,1,0,1,0,0|0,0,2]=4 1322 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,1,0,1,0,0|0,0,2]=4 1323 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,1,0,1,0,0|2,0,0]=4 1324 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,1,0,1,0,0|2,0,0]=4 1325 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,1,0,1,0,0|2,0,0]=4 1326 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,1,0,1,0,0|2,0,0]=4 1327 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [0,1,0,1,0,0|2,0,0]=4 1328 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,1,0,1,0,0|2,0,0]=4 1329 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,1,0,1,0,0|2,0,0]=4 1330 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,1,0,1,0,0|2,0,0]=4 1331 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,1,0,1,0,0|2,0,0]=4 1332 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [0,1,0,1,0,0|2,0,0]=4 1333 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [0,1,0,1,0,0|2,0,0]=4 1334 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [0,1,0,1,0,0|2,0,0]=4 1335 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,1,0,1,0,0|1,0,0]=3 1336 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,1,0,1,0,0|1,0,0]=3 1337 B6R1.6 COC1COC1 34a_100138415774_100009818527 [0,1,0,1,0,0|2,0,0]=4 1338 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [0,1,0,1,0,0|2,0,0]=4 1339 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [0,1,0,1,0,0|1,1,0]=4 1340 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [0,1,0,1,0,0|2,0,0]=4 1341 B6R1.6 FCN1CCC1 269982a_100000754969_100015361967 [0,1,0,1,0,0|2,0,0]=4 1342 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,1,0,1,0,0|2,0,0]=4 1343 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,1,0,1,0,0|2,0,0]=4 1344 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [0,1,0,1,0,0|2,0,0]=4 1345 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,1,0,1,0,0|1,0,0]=3 1346 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [0,1,0,1,0,0|2,0,0]=4 1347 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [0,1,0,1,0,0|1,1,0]=4 1348 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [0,1,0,1,0,0|2,0,0]=4