0 B3R0.1 CCNC 2230a_100015525214_200000210301 [0,0,0,0,0,0|3,0,0]=3 1 B3R0.1 CCNC 2230a_106832991635_100000210202 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.1 CCNC 34a_100102657272_100000210202 [0,0,0,0,0,0|3,0,0]=3 3 B3R0.1 CCNC 7a_106832991635_100000210202 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [0,0,0,0,0,0|3,0,0]=3 5 B3R0.1 CCOC 34a_100121572206_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B3R0.1 CCOC 34a_100138415774_100000210202 [0,0,0,0,0,0|3,0,0]=3 7 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [0,0,0,0,0,0|3,0,0]=3 8 B3R0.1 CCSC 62a_100000210202_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B3R0.1 CCSC 62a_200000210301_100000210202 [0,0,0,0,0,0|3,0,0]=3 10 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [0,0,0,0,0,0|3,0,0]=3 11 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [0,0,0,0,0,0|3,0,0]=3 12 B3R0.1 CNCF 34a_100102657272_100015361967 [0,0,0,0,0,0|3,0,0]=3 13 B3R0.1 CNCF 7a_106832991635_100015361967 [0,0,0,0,0,0|3,0,0]=3 14 B3R0.1 COCF 34a_100138415774_100015361967 [0,0,0,0,0,0|3,0,0]=3 15 B3R0.1 CSCF 62a_100015361967_200000210301 [0,0,0,0,0,0|3,0,0]=3 16 B3R0.1 CSCF 62a_200000210301_100015361967 [0,0,0,0,0,0|3,0,0]=3 17 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [0,0,0,0,0,0|3,0,0]=3 18 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [0,0,0,0,0,0|3,0,0]=3 19 B2R0.1 CNC 2230a_106832991635_200000210301 [1,0,0,0,0,0|2,0,0]=3 20 B2R0.1 CNC 34a_100102657272_200000210301 [1,0,0,0,0,0|2,0,0]=3 21 B2R0.1 CNC 7a_106832991635_200000210301 [1,0,0,0,0,0|2,0,0]=3 22 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [1,0,0,0,0,0|2,0,0]=3 23 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [1,0,0,0,0,0|2,0,0]=3 24 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [1,0,0,0,0,0|2,0,0]=3 25 B2R0.1 COC 34a_100138415774_200000210301 [1,0,0,0,0,0|2,0,0]=3 26 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [1,0,0,0,0,0|2,0,0]=3 27 B2R0.1 CSC 62a_200000210301_200000210301 [1,0,0,0,0,0|2,0,0]=3 28 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [1,0,0,0,0,0|2,0,0]=3 29 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [1,0,0,0,0,0|2,0,0]=3 30 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,1,0,0,0,0|1,0,2]=4 32 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,1,0,0,0,0|0,1,1]=3 33 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [0,1,0,0,0,0|3,0,0]=4 34 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [0,1,0,0,0,0|3,0,0]=4 35 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [0,1,0,0,0,0|3,0,0]=4 36 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [0,1,0,0,0,0|3,0,0]=4 37 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [0,1,0,0,0,0|3,0,0]=4 38 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [0,1,0,0,0,0|1,0,2]=4 39 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,1,0,0,0,0|1,0,2]=4 40 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,1,0,0,0,0|1,0,2]=4 41 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [0,1,0,0,0,0|3,0,0]=4 42 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [0,1,0,0,0,0|3,0,0]=4 43 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [0,1,0,0,0,0|3,0,0]=4 44 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [0,1,0,0,0,0|3,0,0]=4 45 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [0,1,0,0,0,0|3,0,0]=4 46 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [0,1,0,0,0,0|3,0,0]=4 47 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [0,1,0,0,0,0|3,0,0]=4 48 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [0,1,0,0,0,0|3,0,0]=4 49 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [0,1,0,0,0,0|3,0,0]=4 50 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [0,1,0,0,0,0|3,0,0]=4 51 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [0,1,0,0,0,0|3,0,0]=4 52 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [0,1,0,0,0,0|3,0,0]=4 53 B4R0.1 COC(C)C 34a_100000212225_200000210301 [0,1,0,0,0,0|3,0,0]=4 54 B4R0.1 COC(C)C 34a_100138415774_100000210206 [0,1,0,0,0,0|3,0,0]=4 55 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [0,1,0,0,0,0|3,0,0]=4 56 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [0,1,0,0,0,0|3,0,0]=4 57 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [0,1,0,0,0,0|0,1,1]=3 58 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [0,1,0,0,0,0|2,0,1]=4 59 B4R0.2 C#CCNC 34a_100000212058_200000210301 [0,1,0,0,0,0|2,0,1]=4 60 B4R0.2 C#CCNC 34a_100102657272_100000184674 [0,1,0,0,0,0|2,0,1]=4 61 B4R0.2 C#CCNC 7a_106832991635_100000038162 [0,1,0,0,0,0|2,0,1]=4 62 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [0,1,0,0,0,0|2,0,1]=4 63 B4R0.2 C#CCOC 34a_100000210247_200000210301 [0,1,0,0,0,0|1,0,1]=3 64 B4R0.2 C#CCOC 34a_100138415774_100000184674 [0,1,0,0,0,0|1,0,1]=3 65 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [0,1,0,0,0,0|1,0,1]=3 66 B4R0.2 C#CCSC 62a_100000038162_200000210301 [0,1,0,0,0,0|1,0,1]=3 67 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [0,1,0,0,0,0|1,0,1]=3 68 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [0,1,0,0,0,0|2,0,1]=4 69 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [0,1,0,0,0,0|2,0,1]=4 70 B4R0.2 C=CCNC 34a_100102657272_100015514636 [0,1,0,0,0,0|2,0,1]=4 71 B4R0.2 C=CCNC 7a_106832991635_100015514636 [0,1,0,0,0,0|2,0,1]=4 72 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [0,1,0,0,0,0|2,0,1]=4 73 B4R0.2 C=CCOC 34a_100138415774_100015514636 [0,1,0,0,0,0|1,0,1]=3 74 B4R0.2 C=CCOC 34a_200000210373_200000210301 [0,1,0,0,0,0|1,0,1]=3 75 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [0,1,0,0,0,0|1,0,1]=3 76 B4R0.2 C=CCSC 62a_100000210623_200000210301 [0,1,0,0,0,0|1,0,1]=3 77 B4R0.2 C=CCSC 62a_200000210301_100000210623 [0,1,0,0,0,0|1,0,1]=3 78 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [0,1,0,0,0,0|1,0,1]=3 79 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [0,1,0,0,0,0|1,0,1]=3 80 B4R0.2 CCCNC 2230a_106832991635_100000210303 [0,1,0,0,0,0|2,0,0]=3 81 B4R0.2 CCCNC 34a_100102657272_100000210303 [0,1,0,0,0,0|2,0,0]=3 82 B4R0.2 CCCNC 7a_106832991635_100000210303 [0,1,0,0,0,0|2,0,0]=3 83 B4R0.2 CCCOC 34a_100000210258_200000210301 [0,1,0,0,0,0|1,0,0]=2 84 B4R0.2 CCCOC 34a_100138415774_100000210303 [0,1,0,0,0,0|1,0,0]=2 85 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [0,1,0,0,0,0|1,0,0]=2 86 B4R0.2 CCCSC 62a_100000210303_200000210301 [0,1,0,0,0,0|1,0,0]=2 87 B4R0.2 CCCSC 62a_200000210301_100000210303 [0,1,0,0,0,0|1,0,0]=2 88 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [0,1,0,0,0,0|1,0,0]=2 89 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [0,1,0,0,0,0|1,0,0]=2 90 B4R0.2 CCNCC 2230a_100015525214_100000210202 [0,1,0,0,0,0|2,0,0]=3 91 B4R0.2 CCOCC 34a_100121572206_100000210202 [0,1,0,0,0,0|2,0,0]=3 92 B4R0.2 CCOCF 34a_100121572206_100015361967 [0,1,0,0,0,0|2,0,0]=3 93 B4R0.2 CCSCC 62a_100000210202_100000210202 [0,1,0,0,0,0|2,0,0]=3 94 B4R0.2 CCSCF 62a_100000210202_100015361967 [0,1,0,0,0,0|2,0,0]=3 95 B4R0.2 CCSCF 62a_100015361967_100000210202 [0,1,0,0,0,0|2,0,0]=3 96 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [0,1,0,0,0,0|2,0,1]=4 97 B4R0.2 CNCC#N 7a_106832991635_100011215382 [0,1,0,0,0,0|2,0,1]=4 98 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [0,1,0,0,0,0|1,0,2]=4 99 B4R0.2 CNCC=O 34a_100102657272_200009817547 [0,1,0,0,0,0|1,0,2]=4 100 B4R0.2 CNCC=O 7a_106832991635_200015260668 [0,1,0,0,0,0|1,0,2]=4 101 B4R0.2 CNCCF 2230a_106832991635_100011217306 [0,1,0,0,0,0|2,0,0]=3 102 B4R0.2 CNCCF 34a_100000724931_200000210301 [0,1,0,0,0,0|2,0,0]=3 103 B4R0.2 CNCCF 34a_100102657272_100011217306 [0,1,0,0,0,0|2,0,0]=3 104 B4R0.2 CNCCF 7a_106832991635_100011217306 [0,1,0,0,0,0|2,0,0]=3 105 B4R0.2 CNCCO 2230a_100016997473_200000210301 [0,1,0,0,0,0|1,0,0]=2 106 B4R0.2 CNCCO 2230a_106832991635_100000211926 [0,1,0,0,0,0|1,0,0]=2 107 B4R0.2 CNCCO 34a_100016990907_200000210301 [0,1,0,0,0,0|1,0,0]=2 108 B4R0.2 CNCCO 34a_100102657272_100000211926 [0,1,0,0,0,0|1,0,0]=2 109 B4R0.2 CNCCO 7a_106832991635_100000211926 [0,1,0,0,0,0|1,0,0]=2 110 B4R0.2 CNCOC 2230a_106832991635_100000766300 [0,1,0,0,0,0|2,0,0]=3 111 B4R0.2 CNCSC 2230a_106832991635_100011218213 [0,1,0,0,0,0|2,0,0]=3 112 B4R0.2 CNCSC 34a_100102657272_100011218213 [0,1,0,0,0,0|2,0,0]=3 113 B4R0.2 COCC=O 34a_100138415774_200009817547 [0,1,0,0,0,0|0,1,1]=3 114 B4R0.2 COCCBr 34a_100000211926_200000210301 [0,1,0,0,0,0|1,0,0]=2 115 B4R0.2 COCCF 34a_100138415774_100011217306 [0,1,0,0,0,0|1,0,0]=2 116 B4R0.2 COCCN 34a_100000210304_200000210301 [0,1,0,0,0,0|1,0,0]=2 117 B4R0.2 COCCO 34a_100138415774_100000211926 [0,1,0,0,0,0|0,1,0]=2 118 B4R0.2 COCSC 34a_100138415774_100011218213 [0,1,0,0,0,0|2,0,0]=3 119 B4R0.2 COCSC 62a_100000766300_200000210301 [0,1,0,0,0,0|2,0,0]=3 120 B4R0.2 COCSC 62a_200000210301_100000766300 [0,1,0,0,0,0|2,0,0]=3 121 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [0,1,0,0,0,0|2,0,0]=3 122 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [0,1,0,0,0,0|2,0,0]=3 123 B4R0.2 CSCC#N 62a_100011215382_200000210301 [0,1,0,0,0,0|1,0,1]=3 124 B4R0.2 CSCC#N 62a_200000210301_100011215382 [0,1,0,0,0,0|1,0,1]=3 125 B4R0.2 CSCC=O 62a_200000210301_200015260668 [0,1,0,0,0,0|0,0,2]=3 126 B4R0.2 CSCC=O 62a_200015260668_200000210301 [0,1,0,0,0,0|0,0,2]=3 127 B4R0.2 CSCCF 62a_100011217306_200000210301 [0,1,0,0,0,0|1,0,0]=2 128 B4R0.2 CSCCF 62a_200000210301_100011217306 [0,1,0,0,0,0|1,0,0]=2 129 B4R0.2 CSCCO 62a_100000211926_200000210301 [0,1,0,0,0,0|0,0,0]=1 130 B4R0.2 CSCCO 62a_200000210301_100000211926 [0,1,0,0,0,0|0,0,0]=1 131 B4R0.2 CSCSC 62a_100011218213_200000210301 [0,1,0,0,0,0|2,0,0]=3 132 B4R0.2 CSCSC 62a_200000210301_100011218213 [0,1,0,0,0,0|2,0,0]=3 133 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [0,1,0,0,0,0|2,0,0]=3 134 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [0,1,0,0,0,0|2,0,0]=3 135 B4R0.2 FCSCF 62a_100015361967_100015361967 [0,1,0,0,0,0|2,0,0]=3 136 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [0,1,0,0,0,0|2,0,0]=3 137 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [0,1,0,0,0,0|1,0,0]=2 138 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [0,1,0,0,0,0|1,0,0]=2 139 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [0,1,0,0,0,0|1,0,0]=2 140 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [0,1,0,0,0,0|1,0,0]=2 141 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [0,1,0,0,0,0|1,0,1]=3 142 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [0,1,0,0,0,0|1,0,1]=3 143 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [0,1,0,0,0,0|0,0,2]=3 144 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [0,1,0,0,0,0|0,0,2]=3 145 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [0,1,0,0,0,0|1,0,0]=2 146 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [0,1,0,0,0,0|1,0,0]=2 147 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [0,1,0,0,0,0|0,0,0]=1 148 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [0,1,0,0,0,0|0,0,0]=1 149 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [1,1,0,0,0,0|0,0,2]=4 150 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [1,1,0,0,0,0|0,0,2]=4 151 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [1,1,0,0,0,0|2,0,0]=4 152 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [1,1,0,0,0,0|2,0,0]=4 153 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [1,1,0,0,0,0|2,0,0]=4 154 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [1,1,0,0,0,0|2,0,0]=4 155 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,2,0,0,0,0|1,0,1]=4 156 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,2,0,0,0,0|1,0,1]=4 157 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,2,0,0,0,0|1,0,1]=4 158 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,2,0,0,0,0|1,0,1]=4 159 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,2,0,0,0,0|1,0,1]=4 160 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,2,0,0,0,0|1,0,1]=4 161 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,2,0,0,0,0|1,0,1]=4 162 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,2,0,0,0,0|1,0,1]=4 163 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,2,0,0,0,0|1,0,1]=4 164 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,2,0,0,0,0|1,0,1]=4 165 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,2,0,0,0,0|1,0,1]=4 166 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,2,0,0,0,0|1,0,1]=4 167 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,2,0,0,0,0|1,0,1]=4 168 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,2,0,0,0,0|1,0,1]=4 169 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,2,0,0,0,0|1,0,1]=4 170 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,2,0,0,0,0|0,1,0]=3 171 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,2,0,0,0,0|0,1,0]=3 172 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,2,0,0,0,0|0,1,1]=4 173 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,2,0,0,0,0|1,0,0]=3 174 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,2,0,0,0,0|2,0,0]=4 175 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,2,0,0,0,0|2,0,0]=4 176 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,2,0,0,0,0|1,0,0]=3 177 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,2,0,0,0,0|1,0,0]=3 178 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,2,0,0,0,0|1,0,0]=3 179 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,2,0,0,0,0|2,0,0]=4 180 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,2,0,0,0,0|2,0,0]=4 181 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,2,0,0,0,0|2,0,0]=4 182 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,2,0,0,0,0|2,0,0]=4 183 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,2,0,0,0,0|1,0,0]=3 184 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,2,0,0,0,0|1,0,0]=3 185 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,2,0,0,0,0|1,0,0]=3 186 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,2,0,0,0,0|0,0,0]=2 187 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,2,0,0,0,0|0,0,0]=2 188 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,2,0,0,0,0|1,0,1]=4 189 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,2,0,0,0,0|1,0,1]=4 190 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,2,0,0,0,0|1,0,1]=4 191 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,2,0,0,0,0|2,0,0]=4 192 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,2,0,0,0,0|2,0,0]=4 193 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,2,0,0,0,0|2,0,0]=4 194 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,2,0,0,0,0|2,0,0]=4 195 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,2,0,0,0,0|2,0,0]=4 196 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,2,0,0,0,0|2,0,0]=4 197 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,2,0,0,0,0|2,0,0]=4 198 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,2,0,0,0,0|2,0,0]=4 199 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,2,0,0,0,0|2,0,0]=4 200 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,2,0,0,0,0|2,0,0]=4 201 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,2,0,0,0,0|2,0,0]=4 202 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,2,0,0,0,0|2,0,0]=4 203 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,2,0,0,0,0|2,0,0]=4 204 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,2,0,0,0,0|2,0,0]=4 205 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,2,0,0,0,0|2,0,0]=4 206 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,2,0,0,0,0|1,0,0]=3 207 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,2,0,0,0,0|1,0,0]=3 208 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,2,0,0,0,0|1,0,0]=3 209 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,2,0,0,0,0|1,0,0]=3 210 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,2,0,0,0,0|1,0,0]=3 211 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,2,0,0,0,0|1,0,0]=3 212 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,2,0,0,0,0|1,0,1]=4 213 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,2,0,0,0,0|2,0,0]=4 214 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,2,0,0,0,0|2,0,0]=4 215 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,2,0,0,0,0|2,0,0]=4 216 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,2,0,0,0,0|2,0,0]=4 217 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,2,0,0,0,0|2,0,0]=4 218 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,2,0,0,0,0|2,0,0]=4 219 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,2,0,0,0,0|1,0,0]=3 220 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,2,0,0,0,0|1,0,0]=3 221 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,2,0,0,0,0|1,0,0]=3 222 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,2,0,0,0,0|1,0,0]=3 223 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,2,0,0,0,0|1,0,0]=3 224 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [0,2,0,0,0,0|2,0,0]=4 225 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [0,2,0,0,0,0|2,0,0]=4 226 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [0,2,0,0,0,0|2,0,0]=4 227 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [0,2,0,0,0,0|2,0,0]=4 228 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,2,0,0,0,0|1,0,0]=3 229 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,2,0,0,0,0|1,0,0]=3 230 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,2,0,0,0,0|1,0,0]=3 231 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,2,0,0,0,0|0,1,1]=4 232 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,2,0,0,0,0|0,1,1]=4 233 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,2,0,0,0,0|0,1,1]=4 234 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,2,0,0,0,0|0,1,1]=4 235 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,2,0,0,0,0|0,1,1]=4 236 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,2,0,0,0,0|1,0,0]=3 237 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,2,0,0,0,0|1,0,0]=3 238 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,2,0,0,0,0|1,0,0]=3 239 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,2,0,0,0,0|1,0,0]=3 240 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,2,0,0,0,0|0,1,0]=3 241 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [0,2,0,0,0,0|1,0,0]=3 242 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [0,2,0,0,0,0|1,0,0]=3 243 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,2,0,0,0,0|2,0,0]=4 244 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,2,0,0,0,0|2,0,0]=4 245 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,2,0,0,0,0|1,0,0]=3 246 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,2,0,0,0,0|1,0,0]=3 247 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,2,0,0,0,0|0,1,0]=3 248 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,2,0,0,0,0|1,1,0]=4 249 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,2,0,0,0,0|0,0,2]=4 250 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,2,0,0,0,0|0,0,2]=4 251 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,2,0,0,0,0|0,0,2]=4 252 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,2,0,0,0,0|0,0,2]=4 253 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,2,0,0,0,0|0,0,2]=4 254 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,2,0,0,0,0|0,0,2]=4 255 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,2,0,0,0,0|1,0,0]=3 256 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,2,0,0,0,0|1,0,0]=3 257 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,2,0,0,0,0|0,0,0]=2 258 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,2,0,0,0,0|0,0,0]=2 259 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [0,2,0,0,0,0|1,0,0]=3 260 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [0,2,0,0,0,0|1,0,0]=3 261 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,2,0,0,0,0|2,0,0]=4 262 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,2,0,0,0,0|2,0,0]=4 263 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,2,0,0,0,0|0,0,0]=2 264 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,2,0,0,0,0|0,0,0]=2 265 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [0,2,0,0,0,0|1,0,1]=4 266 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,2,0,0,0,0|1,0,0]=3 267 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,2,0,0,0,0|1,0,0]=3 268 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,2,0,0,0,0|0,0,0]=2 269 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,2,0,0,0,0|0,0,0]=2 270 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,2,0,0,0,0|0,1,0]=3 271 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,2,0,0,0,0|1,0,1]=4 272 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [0,2,0,0,0,0|2,0,0]=4 273 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [0,2,0,0,0,0|1,0,0]=3 274 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,2,0,0,0,0|0,0,2]=4 275 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,2,0,0,0,0|0,0,2]=4 276 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,2,0,0,0,0|0,0,2]=4 277 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,2,0,0,0,0|0,0,2]=4 278 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [0,2,0,0,0,0|1,0,0]=3 279 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [0,2,0,0,0,0|1,0,0]=3 280 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [0,2,0,0,0,0|1,0,1]=4 281 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [0,2,0,0,0,0|1,0,1]=4 282 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [0,2,0,0,0,0|1,0,1]=4 283 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [0,2,0,0,0,0|1,0,1]=4 284 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [0,2,0,0,0,0|1,0,1]=4 285 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [0,2,0,0,0,0|1,0,1]=4 286 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [0,2,0,0,0,0|1,0,1]=4 287 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [0,2,0,0,0,0|1,0,1]=4 288 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,2,0,0,0,0|1,0,1]=4 289 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,2,0,0,0,0|1,0,1]=4 290 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,2,0,0,0,0|1,0,1]=4 291 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,2,0,0,0,0|1,0,1]=4 292 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [0,2,0,0,0,0|1,0,1]=4 293 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [0,2,0,0,0,0|1,0,1]=4 294 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [0,2,0,0,0,0|1,0,1]=4 295 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,2,0,0,0,0|1,0,0]=3 296 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,2,0,0,0,0|1,0,0]=3 297 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,2,0,0,0,0|1,0,0]=3 298 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,2,0,0,0,0|0,0,0]=2 299 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,2,0,0,0,0|2,0,0]=4 300 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,2,0,0,0,0|2,0,0]=4 301 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,2,0,0,0,0|1,0,0]=3 302 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,2,0,0,0,0|2,0,0]=4 303 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,2,0,0,0,0|2,0,0]=4 304 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,2,0,0,0,0|2,0,0]=4 305 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,2,0,0,0,0|2,0,0]=4 306 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,2,0,0,0,0|2,0,0]=4 307 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,2,0,0,0,0|1,0,0]=3 308 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,2,0,0,0,0|1,0,0]=3 309 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,2,0,0,0,0|1,0,0]=3 310 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,2,0,0,0,0|1,0,0]=3 311 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,2,0,0,0,0|1,0,0]=3 312 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,2,0,0,0,0|1,0,0]=3 313 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,2,0,0,0,0|1,0,0]=3 314 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,2,0,0,0,0|2,0,0]=4 315 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,2,0,0,0,0|2,0,0]=4 316 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,2,0,0,0,0|2,0,0]=4 317 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,2,0,0,0,0|2,0,0]=4 318 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,2,0,0,0,0|2,0,0]=4 319 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,2,0,0,0,0|2,0,0]=4 320 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,2,0,0,0,0|2,0,0]=4 321 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,2,0,0,0,0|2,0,0]=4 322 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,2,0,0,0,0|2,0,0]=4 323 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,2,0,0,0,0|0,1,1]=4 324 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,2,0,0,0,0|0,1,1]=4 325 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,2,0,0,0,0|1,0,0]=3 326 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,2,0,0,0,0|1,0,0]=3 327 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,2,0,0,0,0|1,0,0]=3 328 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,2,0,0,0,0|1,0,0]=3 329 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [0,2,0,0,0,0|1,0,1]=4 330 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,2,0,0,0,0|1,0,0]=3 331 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,2,0,0,0,0|1,0,0]=3 332 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,2,0,0,0,0|1,0,0]=3 333 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,2,0,0,0,0|0,1,0]=3 334 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [0,2,0,0,0,0|2,0,0]=4 335 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [0,2,0,0,0,0|2,0,0]=4 336 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [0,2,0,0,0,0|2,0,0]=4 337 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [0,2,0,0,0,0|2,0,0]=4 338 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [0,2,0,0,0,0|1,0,1]=4 339 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [0,2,0,0,0,0|1,0,1]=4 340 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,2,0,0,0,0|0,0,0]=2 341 B5R0.3 CSC(F)C#N 62a_200000117898_200000210301 [0,2,0,0,0,0|1,0,1]=4 342 B5R0.3 CSC(F)C#N 62a_200000210301_200000117898 [0,2,0,0,0,0|1,0,1]=4 343 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,2,0,0,0,0|0,0,0]=2 344 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,2,0,0,0,0|0,0,0]=2 345 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,2,0,0,0,0|1,0,0]=3 346 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,2,0,0,0,0|0,0,0]=2 347 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,2,0,0,0,0|0,0,0]=2 348 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,2,0,0,0,0|1,0,0]=3 349 B5R0.3 [13CH3]SC(F)C#N 62a_200000117898_200025704644 [0,2,0,0,0,0|1,0,1]=4 350 B5R0.3 [13CH3]SC(F)C#N 62a_200025704644_200000117898 [0,2,0,0,0,0|1,0,1]=4 351 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,2,0,0,0,0|0,1,1]=4 352 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,2,0,0,0,0|0,1,1]=4 353 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,2,0,0,0,0|0,1,1]=4 354 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,2,0,0,0,0|0,1,1]=4 355 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,2,0,0,0,0|0,1,1]=4 356 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,2,0,0,0,0|0,1,1]=4 357 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [0,2,0,0,0,0|2,0,0]=4 358 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [0,2,0,0,0,0|2,0,0]=4 359 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [0,2,0,0,0,0|2,0,0]=4 360 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [0,2,0,0,0,0|2,0,0]=4 361 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [0,2,0,0,0,0|2,0,0]=4 362 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [0,2,0,0,0,0|1,0,0]=3 363 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [0,2,0,0,0,0|1,0,0]=3 364 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [0,2,0,0,0,0|1,0,0]=3 365 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [0,2,0,0,0,0|1,0,0]=3 366 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [0,2,0,0,0,0|1,0,0]=3 367 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [0,2,0,0,0,0|1,0,0]=3 368 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [0,2,0,0,0,0|1,0,0]=3 369 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [0,2,0,0,0,0|2,0,0]=4 370 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [0,2,0,0,0,0|2,0,0]=4 371 B5R0.2 C#CCNCF 34a_100000212058_100015361967 [0,2,0,0,0,0|2,0,0]=4 372 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [0,2,0,0,0,0|1,0,1]=4 373 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [0,2,0,0,0,0|1,0,1]=4 374 B5R0.2 C#CCOCF 34a_100000210247_100015361967 [0,2,0,0,0,0|1,0,1]=4 375 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [0,2,0,0,0,0|1,0,1]=4 376 B5R0.2 C#CCSCF 62a_100000038162_100015361967 [0,2,0,0,0,0|1,0,1]=4 377 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,2,0,0,0,0|1,0,1]=4 378 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,2,0,0,0,0|1,0,1]=4 379 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,2,0,0,0,0|1,0,1]=4 380 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [0,2,0,0,0,0|1,0,1]=4 381 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [0,2,0,0,0,0|1,0,1]=4 382 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [0,2,0,0,0,0|1,0,1]=4 383 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [0,2,0,0,0,0|1,0,1]=4 384 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [0,2,0,0,0,0|2,0,0]=4 385 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [0,2,0,0,0,0|2,0,0]=4 386 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [0,2,0,0,0,0|2,0,0]=4 387 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [0,2,0,0,0,0|2,0,0]=4 388 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [0,2,0,0,0,0|2,0,0]=4 389 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [0,2,0,0,0,0|1,0,0]=3 390 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [0,2,0,0,0,0|1,0,0]=3 391 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [0,2,0,0,0,0|1,0,0]=3 392 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [0,2,0,0,0,0|1,0,0]=3 393 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [0,2,0,0,0,0|1,0,0]=3 394 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [0,2,0,0,0,0|1,0,0]=3 395 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [0,2,0,0,0,0|1,0,0]=3 396 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [0,2,0,0,0,0|2,0,0]=4 397 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [0,2,0,0,0,0|2,0,0]=4 398 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [0,2,0,0,0,0|1,0,1]=4 399 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [0,2,0,0,0,0|1,0,1]=4 400 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [0,2,0,0,0,0|1,0,1]=4 401 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [0,2,0,0,0,0|1,0,1]=4 402 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [0,2,0,0,0,0|1,0,1]=4 403 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [0,2,0,0,0,0|1,0,1]=4 404 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [0,2,0,0,0,0|1,0,1]=4 405 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [0,2,0,0,0,0|1,0,1]=4 406 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [0,2,0,0,0,0|1,0,1]=4 407 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [0,2,0,0,0,0|1,0,1]=4 408 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [0,2,0,0,0,0|1,0,1]=4 409 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [0,2,0,0,0,0|1,0,1]=4 410 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [0,2,0,0,0,0|1,0,1]=4 411 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [0,2,0,0,0,0|1,0,1]=4 412 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,2,0,0,0,0|1,0,1]=4 413 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [0,2,0,0,0,0|1,0,1]=4 414 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [0,2,0,0,0,0|1,0,1]=4 415 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [0,2,0,0,0,0|1,0,1]=4 416 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [0,2,0,0,0,0|1,0,1]=4 417 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [0,2,0,0,0,0|2,0,0]=4 418 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [0,2,0,0,0,0|2,0,0]=4 419 B5R0.2 CCCCNC 34a_100102657272_100000210210 [0,2,0,0,0,0|2,0,0]=4 420 B5R0.2 CCCCNC 7a_106832991635_100000210211 [0,2,0,0,0,0|2,0,0]=4 421 B5R0.2 CCCCNC 7a_106832991798_200000210301 [0,2,0,0,0,0|2,0,0]=4 422 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [0,2,0,0,0,0|2,0,0]=4 423 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [0,2,0,0,0,0|2,0,0]=4 424 B5R0.2 CCCCOC 34a_100000210227_200000210301 [0,2,0,0,0,0|1,0,0]=3 425 B5R0.2 CCCCOC 34a_100138415774_100000210210 [0,2,0,0,0,0|1,0,0]=3 426 B5R0.2 CCCCOC 7a_100000210227_200000210301 [0,2,0,0,0,0|1,0,0]=3 427 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [0,2,0,0,0,0|1,0,0]=3 428 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [0,2,0,0,0,0|1,0,0]=3 429 B5R0.2 CCCCSC 62a_100000210211_200000210301 [0,2,0,0,0,0|1,0,0]=3 430 B5R0.2 CCCCSC 62a_200000210301_100000210210 [0,2,0,0,0,0|1,0,0]=3 431 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [0,2,0,0,0,0|1,0,0]=3 432 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [0,2,0,0,0,0|1,0,0]=3 433 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [0,2,0,0,0,0|2,0,0]=4 434 B5R0.2 CCCOCC 34a_100000210258_100000210202 [0,2,0,0,0,0|1,0,0]=3 435 B5R0.2 CCCOCC 34a_100121572206_100000210303 [0,2,0,0,0,0|1,0,0]=3 436 B5R0.2 CCCOCF 34a_100000210258_100015361967 [0,2,0,0,0,0|1,0,0]=3 437 B5R0.2 CCCSCC 62a_100000210202_100000210303 [0,2,0,0,0,0|1,0,0]=3 438 B5R0.2 CCCSCC 62a_100000210303_100000210202 [0,2,0,0,0,0|1,0,0]=3 439 B5R0.2 CCCSCF 62a_100000210303_100015361967 [0,2,0,0,0,0|1,0,0]=3 440 B5R0.2 CCCSCF 62a_100015361967_100000210303 [0,2,0,0,0,0|1,0,0]=3 441 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [0,2,0,0,0,0|2,0,0]=4 442 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [0,2,0,0,0,0|1,0,1]=4 443 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [0,2,0,0,0,0|2,0,0]=4 444 B5R0.2 CCNCCF 34a_100000724931_100000210202 [0,2,0,0,0,0|2,0,0]=4 445 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [0,2,0,0,0,0|1,0,0]=3 446 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [0,2,0,0,0,0|1,0,0]=3 447 B5R0.2 CCNCCO 34a_100016990907_100000210202 [0,2,0,0,0,0|1,0,0]=3 448 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [0,2,0,0,0,0|1,0,0]=3 449 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [0,2,0,0,0,0|1,0,0]=3 450 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [0,2,0,0,0,0|0,1,1]=4 451 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [0,2,0,0,0,0|1,0,0]=3 452 B5R0.2 CCOCCF 34a_100121572206_100011217306 [0,2,0,0,0,0|1,0,0]=3 453 B5R0.2 CCOCCN 34a_100000210304_100000210202 [0,2,0,0,0,0|1,0,0]=3 454 B5R0.2 CCOCCO 34a_100121572206_100000211926 [0,2,0,0,0,0|0,1,0]=3 455 B5R0.2 CCOCSC 34a_100121572206_100011218213 [0,2,0,0,0,0|1,0,0]=3 456 B5R0.2 CCOCSC 62a_100000739092_200000210301 [0,2,0,0,0,0|1,0,0]=3 457 B5R0.2 CCOCSC 62a_200000210301_100000739092 [0,2,0,0,0,0|1,0,0]=3 458 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [0,2,0,0,0,0|1,0,0]=3 459 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [0,2,0,0,0,0|1,0,0]=3 460 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [0,2,0,0,0,0|1,0,1]=4 461 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [0,2,0,0,0,0|1,0,1]=4 462 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [0,2,0,0,0,0|0,0,2]=4 463 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [0,2,0,0,0,0|0,0,2]=4 464 B5R0.2 CCSCCF 62a_100000210202_100011217306 [0,2,0,0,0,0|1,0,0]=3 465 B5R0.2 CCSCCF 62a_100011217306_100000210202 [0,2,0,0,0,0|1,0,0]=3 466 B5R0.2 CCSCCO 62a_100000210202_100000211926 [0,2,0,0,0,0|0,0,0]=2 467 B5R0.2 CCSCCO 62a_100000211926_100000210202 [0,2,0,0,0,0|0,0,0]=2 468 B5R0.2 CCSCOC 62a_100000210202_100000766300 [0,2,0,0,0,0|1,0,0]=3 469 B5R0.2 CCSCOC 62a_100000766300_100000210202 [0,2,0,0,0,0|1,0,0]=3 470 B5R0.2 CCSCSC 62a_100000210202_100011218213 [0,2,0,0,0,0|1,0,0]=3 471 B5R0.2 CCSCSC 62a_100011218213_100000210202 [0,2,0,0,0,0|1,0,0]=3 472 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [0,2,0,0,0,0|2,0,0]=4 473 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [0,2,0,0,0,0|2,0,0]=4 474 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [0,2,0,0,0,0|2,0,0]=4 475 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [0,2,0,0,0,0|2,0,0]=4 476 B5R0.2 CNCCCF 34a_100015189416_200000210301 [0,2,0,0,0,0|2,0,0]=4 477 B5R0.2 CNCCCF 34a_100102657272_100011934791 [0,2,0,0,0,0|2,0,0]=4 478 B5R0.2 CNCCCF 7a_106832991635_100011934791 [0,2,0,0,0,0|2,0,0]=4 479 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [0,2,0,0,0,0|1,0,0]=3 480 B5R0.2 CNCCCO 34a_100102657272_100000230001 [0,2,0,0,0,0|1,0,0]=3 481 B5R0.2 CNCCCO 7a_106832991635_100011215043 [0,2,0,0,0,0|1,0,0]=3 482 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [0,2,0,0,0,0|1,0,0]=3 483 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [0,2,0,0,0,0|1,0,0]=3 484 B5R0.2 CNCCOC 34a_100102657272_100011201679 [0,2,0,0,0,0|1,0,0]=3 485 B5R0.2 CNCCOC 7a_106832991635_100000233755 [0,2,0,0,0,0|1,0,0]=3 486 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [0,2,0,0,0,0|1,0,0]=3 487 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [0,2,0,0,0,0|1,0,0]=3 488 B5R0.2 CNCCSC 34a_100102657272_100000212216 [0,2,0,0,0,0|1,0,0]=3 489 B5R0.2 CNCCSC 7a_106832991635_100000212216 [0,2,0,0,0,0|1,0,0]=3 490 B5R0.2 COCCCBr 34a_100011217188_200000210301 [0,2,0,0,0,0|1,0,0]=3 491 B5R0.2 COCCCCl 34a_100000230001_200000210301 [0,2,0,0,0,0|1,0,0]=3 492 B5R0.2 COCCCF 34a_100000759539_200000210301 [0,2,0,0,0,0|1,0,0]=3 493 B5R0.2 COCCCF 34a_100138415774_100011934791 [0,2,0,0,0,0|1,0,0]=3 494 B5R0.2 COCCCN 34a_100000182051_200000210301 [0,2,0,0,0,0|1,0,0]=3 495 B5R0.2 COCCCO 34a_100138415774_100000230001 [0,2,0,0,0,0|0,1,0]=3 496 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [0,2,0,0,0,0|1,0,0]=3 497 B5R0.2 COCCOC 34a_100000210237_200000210301 [0,2,0,0,0,0|0,1,0]=3 498 B5R0.2 COCCOC 34a_100138415774_100011201679 [0,2,0,0,0,0|0,1,0]=3 499 B5R0.2 COCCON 34a_100000700252_200000210301 [0,2,0,0,0,0|0,1,0]=3 500 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [0,2,0,0,0,0|0,1,0]=3 501 B5R0.2 COCCSC 34a_100000230434_200000210301 [0,2,0,0,0,0|0,0,0]=2 502 B5R0.2 COCCSC 34a_100138415774_100000212216 [0,2,0,0,0,0|0,0,0]=2 503 B5R0.2 COCCSC 62a_100000233755_200000210301 [0,2,0,0,0,0|0,0,0]=2 504 B5R0.2 COCCSC 62a_200000210301_100000233755 [0,2,0,0,0,0|0,0,0]=2 505 B5R0.2 COCCSC 7a_100000230434_200000210301 [0,2,0,0,0,0|0,0,0]=2 506 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [0,2,0,0,0,0|0,0,0]=2 507 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [0,2,0,0,0,0|0,0,0]=2 508 B5R0.2 COCSCF 62a_100000766300_100015361967 [0,2,0,0,0,0|1,0,0]=3 509 B5R0.2 COCSCF 62a_100015361967_100000766300 [0,2,0,0,0,0|1,0,0]=3 510 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [0,2,0,0,0,0|1,0,0]=3 511 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [0,2,0,0,0,0|1,0,0]=3 512 B5R0.2 CSCCCF 62a_100011934791_200000210301 [0,2,0,0,0,0|1,0,0]=3 513 B5R0.2 CSCCCF 62a_200000210301_100011934791 [0,2,0,0,0,0|1,0,0]=3 514 B5R0.2 CSCCCO 62a_100011215043_200000210301 [0,2,0,0,0,0|0,0,0]=2 515 B5R0.2 CSCCCO 62a_200000210301_100011215043 [0,2,0,0,0,0|0,0,0]=2 516 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [0,2,0,0,0,0|1,0,0]=3 517 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [0,2,0,0,0,0|0,0,0]=2 518 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [0,2,0,0,0,0|0,0,0]=2 519 B5R0.2 CSCCSC 62a_100000212216_200000210301 [0,2,0,0,0,0|0,1,0]=3 520 B5R0.2 CSCCSC 62a_200000210301_100000751147 [0,2,0,0,0,0|0,1,0]=3 521 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [0,2,0,0,0,0|0,1,0]=3 522 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [0,2,0,0,0,0|0,1,0]=3 523 B5R0.2 CSCSC#N 62a_100000211825_200000210301 [0,2,0,0,0,0|1,0,1]=4 524 B5R0.2 CSCSC#N 62a_200000210301_100000211825 [0,2,0,0,0,0|1,0,1]=4 525 B5R0.2 CSCSCF 62a_100011218213_100015361967 [0,2,0,0,0,0|1,0,0]=3 526 B5R0.2 CSCSCF 62a_100015361967_100011218213 [0,2,0,0,0,0|1,0,0]=3 527 B5R0.2 FCCNCF 34a_100000724931_100015361967 [0,2,0,0,0,0|2,0,0]=4 528 B5R0.2 FCCSCF 62a_100011217306_100015361967 [0,2,0,0,0,0|1,0,0]=3 529 B5R0.2 FCCSCF 62a_100015361967_100011217306 [0,2,0,0,0,0|1,0,0]=3 530 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [0,2,0,0,0,0|1,0,0]=3 531 B5R0.2 N#CCSCF 62a_100011215382_100015361967 [0,2,0,0,0,0|1,0,1]=4 532 B5R0.2 N#CCSCF 62a_100015361967_100011215382 [0,2,0,0,0,0|1,0,1]=4 533 B5R0.2 NCCOCF 34a_100000210304_100015361967 [0,2,0,0,0,0|1,0,0]=3 534 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [0,2,0,0,0,0|0,0,2]=4 535 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [0,2,0,0,0,0|0,0,2]=4 536 B5R0.2 OCCNCF 34a_100016990907_100015361967 [0,2,0,0,0,0|1,0,0]=3 537 B5R0.2 OCCSCF 62a_100000211926_100015361967 [0,2,0,0,0,0|0,0,0]=2 538 B5R0.2 OCCSCF 62a_100015361967_100000211926 [0,2,0,0,0,0|0,0,0]=2 539 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [0,2,0,0,0,0|2,0,0]=4 540 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [0,2,0,0,0,0|2,0,0]=4 541 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [0,2,0,0,0,0|1,0,0]=3 542 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [0,2,0,0,0,0|1,0,0]=3 543 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [0,2,0,0,0,0|1,0,0]=3 544 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [0,2,0,0,0,0|1,0,0]=3 545 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [0,2,0,0,0,0|0,1,0]=3 546 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [0,2,0,0,0,0|1,0,0]=3 547 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [0,2,0,0,0,0|1,0,0]=3 548 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [0,2,0,0,0,0|1,0,0]=3 549 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [0,2,0,0,0,0|1,0,0]=3 550 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [0,2,0,0,0,0|0,0,0]=2 551 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [0,2,0,0,0,0|0,0,0]=2 552 B5R0.2 [13CH3]SCSC#N 62a_100000211825_200025704644 [0,2,0,0,0,0|1,0,1]=4 553 B5R0.2 [13CH3]SCSC#N 62a_200025704644_100000211825 [0,2,0,0,0,0|1,0,1]=4 554 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,1,0,1,0,0|2,0,0]=4 555 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,1,0,1,0,0|2,0,0]=4 556 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [0,1,0,1,0,0|2,0,0]=4 557 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [0,1,0,1,0,0|2,0,0]=4 558 B5R1.3 COC1CC1 34a_100138415774_100000211595 [0,1,0,1,0,0|1,0,0]=3 559 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [0,1,0,1,0,0|1,0,0]=3 560 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [0,1,0,1,0,0|2,0,0]=4 561 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [0,1,0,1,0,0|1,0,0]=3