0 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.2 C#CCNC 34a_100000212058_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.2 C#CCNC 34a_100102657272_100000184674 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.2 C#CCNC 7a_106832991635_100000038162 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.2 C#CCOC 34a_100000210247_200000210301 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.2 C#CCOC 34a_100138415774_100000184674 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.2 C#CCSC 62a_100000038162_200000210301 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.2 C=CCNC 34a_100102657272_100015514636 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.2 C=CCNC 7a_106832991635_100015514636 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.2 C=CCOC 34a_100138415774_100015514636 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.2 C=CCOC 34a_200000210373_200000210301 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.2 C=CCSC 62a_100000210623_200000210301 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.2 C=CCSC 62a_200000210301_100000210623 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.2 CCCNC 2230a_106832991635_100000210303 [0,0,0,0,0,0|2,0,2]=4 23 B4R0.2 CCCNC 34a_100102657272_100000210303 [0,0,0,0,0,0|2,0,2]=4 24 B4R0.2 CCCNC 7a_106832991635_100000210303 [0,0,0,0,0,0|2,0,2]=4 25 B4R0.2 CCCOC 34a_100000210258_200000210301 [0,0,0,0,0,0|2,0,2]=4 26 B4R0.2 CCCOC 34a_100138415774_100000210303 [0,0,0,0,0,0|2,0,2]=4 27 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [0,0,0,0,0,0|2,0,2]=4 28 B4R0.2 CCCSC 62a_100000210303_200000210301 [0,0,0,0,0,0|2,0,2]=4 29 B4R0.2 CCCSC 62a_200000210301_100000210303 [0,0,0,0,0,0|2,0,2]=4 30 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [0,0,0,0,0,0|2,0,2]=4 31 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [0,0,0,0,0,0|2,0,2]=4 32 B4R0.2 CCNCC 2230a_100015525214_100000210202 [0,0,0,0,0,0|2,0,2]=4 33 B4R0.2 CCOCC 34a_100121572206_100000210202 [0,0,0,0,0,0|2,0,2]=4 34 B4R0.2 CCOCF 34a_100121572206_100015361967 [0,0,0,0,0,0|2,0,2]=4 35 B4R0.2 CCSCC 62a_100000210202_100000210202 [0,0,0,0,0,0|2,0,2]=4 36 B4R0.2 CCSCF 62a_100000210202_100015361967 [0,0,0,0,0,0|2,0,2]=4 37 B4R0.2 CCSCF 62a_100015361967_100000210202 [0,0,0,0,0,0|2,0,2]=4 38 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [0,0,0,0,0,0|2,0,2]=4 39 B4R0.2 CNCC#N 7a_106832991635_100011215382 [0,0,0,0,0,0|2,0,2]=4 40 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [0,0,0,0,0,0|1,0,1]=2 41 B4R0.2 CNCC=O 34a_100102657272_200009817547 [0,0,0,0,0,0|1,0,1]=2 42 B4R0.2 CNCC=O 7a_106832991635_200015260668 [0,0,0,0,0,0|1,0,1]=2 43 B4R0.2 CNCCF 2230a_106832991635_100011217306 [0,0,0,0,0,0|2,0,2]=4 44 B4R0.2 CNCCF 34a_100000724931_200000210301 [0,0,0,0,0,0|2,0,2]=4 45 B4R0.2 CNCCF 34a_100102657272_100011217306 [0,0,0,0,0,0|2,0,2]=4 46 B4R0.2 CNCCF 7a_106832991635_100011217306 [0,0,0,0,0,0|2,0,2]=4 47 B4R0.2 CNCCO 2230a_100016997473_200000210301 [0,0,0,0,0,0|1,0,3]=4 48 B4R0.2 CNCCO 2230a_106832991635_100000211926 [0,0,0,0,0,0|1,0,3]=4 49 B4R0.2 CNCCO 34a_100016990907_200000210301 [0,0,0,0,0,0|1,0,3]=4 50 B4R0.2 CNCCO 34a_100102657272_100000211926 [0,0,0,0,0,0|1,0,3]=4 51 B4R0.2 CNCCO 7a_106832991635_100000211926 [0,0,0,0,0,0|1,0,3]=4 52 B4R0.2 CNCOC 2230a_106832991635_100000766300 [0,0,0,0,0,0|3,0,1]=4 53 B4R0.2 CNCSC 2230a_106832991635_100011218213 [0,0,0,0,0,0|3,0,1]=4 54 B4R0.2 CNCSC 34a_100102657272_100011218213 [0,0,0,0,0,0|3,0,1]=4 55 B4R0.2 COCC=O 34a_100138415774_200009817547 [0,0,0,0,0,0|1,0,1]=2 56 B4R0.2 COCCBr 34a_100000211926_200000210301 [0,0,0,0,0,0|2,0,2]=4 57 B4R0.2 COCCF 34a_100138415774_100011217306 [0,0,0,0,0,0|2,0,2]=4 58 B4R0.2 COCCN 34a_100000210304_200000210301 [0,0,0,0,0,0|2,0,2]=4 59 B4R0.2 COCCO 34a_100138415774_100000211926 [0,0,0,0,0,0|1,0,3]=4 60 B4R0.2 COCSC 34a_100138415774_100011218213 [0,0,0,0,0,0|3,0,1]=4 61 B4R0.2 COCSC 62a_100000766300_200000210301 [0,0,0,0,0,0|3,0,1]=4 62 B4R0.2 COCSC 62a_200000210301_100000766300 [0,0,0,0,0,0|3,0,1]=4 63 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [0,0,0,0,0,0|3,0,1]=4 64 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [0,0,0,0,0,0|3,0,1]=4 65 B4R0.2 CSCC#N 62a_100011215382_200000210301 [0,0,0,0,0,0|2,0,2]=4 66 B4R0.2 CSCC#N 62a_200000210301_100011215382 [0,0,0,0,0,0|2,0,2]=4 67 B4R0.2 CSCC=O 62a_200000210301_200015260668 [0,0,0,0,0,0|1,0,1]=2 68 B4R0.2 CSCC=O 62a_200015260668_200000210301 [0,0,0,0,0,0|1,0,1]=2 69 B4R0.2 CSCCF 62a_100011217306_200000210301 [0,0,0,0,0,0|2,0,2]=4 70 B4R0.2 CSCCF 62a_200000210301_100011217306 [0,0,0,0,0,0|2,0,2]=4 71 B4R0.2 CSCCO 62a_100000211926_200000210301 [0,0,0,0,0,0|1,0,3]=4 72 B4R0.2 CSCCO 62a_200000210301_100000211926 [0,0,0,0,0,0|1,0,3]=4 73 B4R0.2 CSCSC 62a_100011218213_200000210301 [0,0,0,0,0,0|3,0,1]=4 74 B4R0.2 CSCSC 62a_200000210301_100011218213 [0,0,0,0,0,0|3,0,1]=4 75 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [0,0,0,0,0,0|3,0,1]=4 76 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [0,0,0,0,0,0|3,0,1]=4 77 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [0,0,0,0,0,0|2,0,2]=4 78 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [0,0,0,0,0,0|1,0,3]=4 79 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [0,0,0,0,0,0|1,0,3]=4 80 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [0,0,0,0,0,0|2,0,2]=4 81 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [0,0,0,0,0,0|2,0,2]=4 82 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [0,0,0,0,0,0|2,0,2]=4 83 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [0,0,0,0,0,0|2,0,2]=4 84 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [0,0,0,0,0,0|1,0,1]=2 85 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [0,0,0,0,0,0|1,0,1]=2 86 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [0,0,0,0,0,0|2,0,2]=4 87 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [0,0,0,0,0,0|2,0,2]=4 88 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [0,0,0,0,0,0|1,0,3]=4 89 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [0,0,0,0,0,0|1,0,3]=4 90 B3R0.1 CCNC 2230a_100015525214_200000210301 [1,0,0,0,0,0|1,0,2]=4 91 B3R0.1 CCNC 2230a_106832991635_100000210202 [1,0,0,0,0,0|1,0,2]=4 92 B3R0.1 CCNC 34a_100102657272_100000210202 [1,0,0,0,0,0|1,0,2]=4 93 B3R0.1 CCNC 7a_106832991635_100000210202 [1,0,0,0,0,0|1,0,2]=4 94 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [1,0,0,0,0,0|1,0,2]=4 95 B3R0.1 CCOC 34a_100121572206_200000210301 [1,0,0,0,0,0|1,0,2]=4 96 B3R0.1 CCOC 34a_100138415774_100000210202 [1,0,0,0,0,0|1,0,2]=4 97 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [1,0,0,0,0,0|1,0,2]=4 98 B3R0.1 CCSC 62a_100000210202_200000210301 [1,0,0,0,0,0|1,0,2]=4 99 B3R0.1 CCSC 62a_200000210301_100000210202 [1,0,0,0,0,0|1,0,2]=4 100 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [1,0,0,0,0,0|1,0,2]=4 101 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [1,0,0,0,0,0|1,0,2]=4 102 B3R0.1 CNCF 34a_100102657272_100015361967 [1,0,0,0,0,0|2,0,1]=4 103 B3R0.1 CNCF 7a_106832991635_100015361967 [1,0,0,0,0,0|2,0,1]=4 104 B3R0.1 COCF 34a_100138415774_100015361967 [1,0,0,0,0,0|2,0,1]=4 105 B3R0.1 CSCF 62a_100015361967_200000210301 [1,0,0,0,0,0|2,0,1]=4 106 B3R0.1 CSCF 62a_200000210301_100015361967 [1,0,0,0,0,0|2,0,1]=4 107 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [1,0,0,0,0,0|2,0,1]=4 108 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,1,0,0,0,0|0,0,3]=4 110 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,1,0,0,0,0|0,0,3]=4 111 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,1,0,0,0,0|0,0,3]=4 112 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,1,0,0,0,0|2,0,1]=4 113 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,1,0,0,0,0|2,0,1]=4 114 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,1,0,0,0,0|2,0,1]=4 115 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,1,0,0,0,0|2,0,1]=4 117 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,1,0,0,0,0|2,0,1]=4 118 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,1,0,0,0,0|2,0,1]=4 119 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,1,0,0,0,0|2,0,1]=4 120 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,1,0,0,0,0|2,0,1]=4 121 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,1,0,0,0,0|2,0,1]=4 122 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,1,0,0,0,0|2,0,1]=4 123 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,1,0,0,0,0|2,0,1]=4 124 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,1,0,0,0,0|2,0,1]=4 125 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,1,0,0,0,0|2,0,1]=4 126 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,1,0,0,0,0|2,0,1]=4 127 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,1,0,0,0,0|2,0,1]=4 128 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,1,0,0,0,0|2,0,1]=4 129 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,1,0,0,0,0|2,0,1]=4 130 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,1,0,0,0,0|2,0,1]=4 131 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,1,0,0,0,0|2,0,1]=4 132 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,1,0,0,0,0|0,0,2]=3 133 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,1,0,0,0,0|0,0,2]=3 134 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,1,0,0,0,0|0,0,2]=3 135 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,1,0,0,0,0|2,0,1]=4 136 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,1,0,0,0,0|2,0,1]=4 137 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,1,0,0,0,0|2,0,1]=4 139 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,1,0,0,0,0|2,0,1]=4 140 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,1,0,0,0,0|2,0,1]=4 141 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,1,0,0,0,0|0,0,2]=3 142 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,1,0,0,0,0|0,0,2]=3 143 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,1,0,0,0,0|1,0,0]=2 144 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,1,0,0,0,0|1,0,0]=2 145 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,1,0,0,0,0|1,0,0]=2 146 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,1,0,0,0,0|1,0,2]=4 147 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,1,0,0,0,0|1,0,2]=4 148 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,1,0,0,0,0|1,0,2]=4 149 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,1,0,0,0,0|0,0,3]=4 150 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,1,0,0,0,0|0,0,3]=4 151 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,1,0,0,0,0|1,0,1]=3 152 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,1,0,0,0,0|0,0,0]=1 153 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,1,0,0,0,0|0,0,0]=1 154 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,1,0,0,0,0|0,0,2]=3 155 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,1,0,0,0,0|0,0,2]=3 156 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,1,0,0,0,0|0,0,2]=3 157 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,1,0,0,0,0|1,0,1]=3 158 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,1,0,0,0,0|1,0,1]=3 159 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,1,0,0,0,0|1,0,1]=3 160 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,1,0,0,0,0|1,0,1]=3 161 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,1,0,0,0,0|1,0,1]=3 162 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,1,0,0,0,0|1,0,1]=3 163 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,1,0,0,0,0|1,0,1]=3 164 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,1,0,0,0,0|1,0,1]=3 165 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,1,0,0,0,0|1,0,1]=3 166 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,1,0,0,0,0|1,0,1]=3 167 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,1,0,0,0,0|1,0,1]=3 168 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [0,1,0,0,0,0|2,0,1]=4 169 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,1,0,0,0,0|2,0,0]=3 170 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,1,0,0,0,0|1,0,1]=3 171 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,1,0,0,0,0|1,0,1]=3 172 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,1,0,0,0,0|1,0,1]=3 173 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,1,0,0,0,0|1,0,1]=3 174 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,1,0,0,0,0|1,0,1]=3 175 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,1,0,0,0,0|2,0,1]=4 176 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,1,0,0,0,0|1,0,1]=3 177 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,1,0,0,0,0|1,0,1]=3 178 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,1,0,0,0,0|1,0,1]=3 179 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,1,0,0,0,0|1,0,1]=3 180 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,1,0,0,0,0|1,0,1]=3 181 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,1,0,0,0,0|1,0,1]=3 182 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [0,1,0,0,0,0|2,0,1]=4 183 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,1,0,0,0,0|1,0,0]=2 184 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,1,0,0,0,0|1,0,0]=2 185 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,1,0,0,0,0|1,0,0]=2 186 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,1,0,0,0,0|1,0,2]=4 187 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,1,0,0,0,0|0,0,3]=4 188 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,1,0,0,0,0|1,0,1]=3 189 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,1,0,0,0,0|1,0,1]=3 190 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,1,0,0,0,0|1,0,1]=3 191 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,1,0,0,0,0|1,0,1]=3 192 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,1,0,0,0,0|1,0,1]=3 193 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,1,0,0,0,0|1,0,1]=3 194 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [0,1,0,0,0,0|2,0,1]=4 195 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [0,1,0,0,0,0|1,0,1]=3 196 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [0,1,0,0,0,0|1,0,1]=3 197 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,1,0,0,0,0|0,0,2]=3 198 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,1,0,0,0,0|0,0,2]=3 199 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,1,0,0,0,0|0,0,2]=3 200 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [0,1,0,0,0,0|0,1,1]=3 201 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [0,1,0,0,0,0|0,1,1]=3 202 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [0,1,0,0,0,0|0,1,1]=3 203 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [0,1,0,0,0,0|0,1,1]=3 204 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [0,1,0,0,0,0|1,0,2]=4 205 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [0,1,0,0,0,0|1,0,2]=4 206 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [0,1,0,0,0,0|1,0,2]=4 207 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [0,1,0,0,0,0|1,0,2]=4 208 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [0,1,0,0,0,0|1,0,2]=4 209 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [0,1,0,0,0,0|1,0,2]=4 210 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [0,1,0,0,0,0|1,0,2]=4 211 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [0,1,0,0,0,0|1,0,2]=4 212 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [0,1,0,0,0,0|1,0,2]=4 213 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [0,1,0,0,0,0|1,0,2]=4 214 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [0,1,0,0,0,0|1,0,2]=4 215 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [0,1,0,0,0,0|1,0,2]=4 216 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [0,1,0,0,0,0|1,0,2]=4 217 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [0,1,0,0,0,0|1,0,2]=4 218 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [0,1,0,0,0,0|1,0,2]=4 219 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [0,1,0,0,0,0|1,0,2]=4 220 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [0,1,0,0,0,0|2,0,1]=4 221 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [0,1,0,0,0,0|1,0,2]=4 222 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [0,1,0,0,0,0|1,0,2]=4 223 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [0,1,0,0,0,0|2,0,1]=4 224 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [0,1,0,0,0,0|2,0,1]=4 225 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [0,1,0,0,0,0|1,0,1]=3 226 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [0,1,0,0,0,0|1,0,1]=3 227 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [0,1,0,0,0,0|1,0,1]=3 228 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,1,0,0,0,0|0,0,2]=3 229 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [0,1,0,0,0,0|0,1,1]=3 230 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [0,1,0,0,0,0|0,1,1]=3 231 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [0,1,0,0,0,0|0,1,1]=3 232 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [0,1,0,0,0,0|0,1,1]=3 233 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [0,1,0,0,0,0|2,0,1]=4 234 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [0,1,0,0,0,0|0,0,2]=3 235 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [0,1,0,0,0,0|0,0,2]=3 236 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [0,1,0,0,0,0|0,0,2]=3 237 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [0,1,0,0,0,0|0,0,2]=3 238 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [0,1,0,0,0,0|1,0,1]=3 239 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [0,1,0,0,0,0|1,0,1]=3 240 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [0,1,0,0,0,0|1,0,2]=4 241 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,1,0,0,0,0|1,0,1]=3 242 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,1,0,0,0,0|1,0,2]=4 243 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,1,0,0,0,0|2,0,0]=3 244 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,1,0,0,0,0|2,0,0]=3 245 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,1,0,0,0,0|2,0,1]=4 246 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,1,0,0,0,0|2,0,1]=4 247 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,1,0,0,0,0|2,0,1]=4 248 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,1,0,0,0,0|2,0,1]=4 249 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,1,0,0,0,0|1,0,2]=4 250 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,1,0,0,0,0|1,0,2]=4 251 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,1,0,0,0,0|0,0,3]=4 252 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,1,0,0,0,0|2,0,1]=4 253 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,1,0,0,0,0|2,0,1]=4 254 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,1,0,0,0,0|2,0,1]=4 255 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,1,0,0,0,0|2,0,1]=4 256 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,1,0,0,0,0|1,0,2]=4 257 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,1,0,0,0,0|1,0,2]=4 258 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [0,1,0,0,0,0|3,0,0]=4 259 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [0,1,0,0,0,0|3,0,0]=4 260 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [0,1,0,0,0,0|3,0,0]=4 261 B2R0.1 CNC 2230a_106832991635_200000210301 [2,0,0,0,0,0|1,0,1]=4 262 B2R0.1 CNC 34a_100102657272_200000210301 [2,0,0,0,0,0|1,0,1]=4 263 B2R0.1 CNC 7a_106832991635_200000210301 [2,0,0,0,0,0|1,0,1]=4 264 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [2,0,0,0,0,0|1,0,1]=4 265 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [2,0,0,0,0,0|1,0,1]=4 266 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [2,0,0,0,0,0|1,0,1]=4 267 B2R0.1 COC 34a_100138415774_200000210301 [2,0,0,0,0,0|1,0,1]=4 268 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [2,0,0,0,0,0|1,0,1]=4 269 B2R0.1 CSC 62a_200000210301_200000210301 [2,0,0,0,0,0|1,0,1]=4 270 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [2,0,0,0,0,0|1,0,1]=4 271 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [2,0,0,0,0,0|1,0,1]=4 272 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [2,0,0,0,0,0|1,0,1]=4 273 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,1,0,0,0,0|0,0,2]=4 274 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,1,0,0,0,0|0,0,2]=4 275 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,1,0,0,0,0|0,0,0]=2 276 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,1,0,0,0,0|0,0,0]=2 277 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,1,0,0,0,0|1,0,1]=4 278 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,1,0,0,0,0|0,0,2]=4 279 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,1,0,0,0,0|0,0,1]=3 280 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,1,0,0,0,0|0,0,1]=3 281 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,1,0,0,0,0|0,0,1]=3 282 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,1,0,0,0,0|1,0,0]=3 283 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,1,0,0,0,0|1,0,0]=3 284 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,1,0,0,0,0|1,0,0]=3 285 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,1,0,0,0,0|1,0,0]=3 286 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,1,0,0,0,0|0,0,2]=4 287 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [0,2,0,0,0,0|0,0,2]=4 288 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,2,0,0,0,0|0,0,2]=4 289 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,2,0,0,0,0|0,0,2]=4 290 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,2,0,0,0,0|0,0,2]=4 291 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,2,0,0,0,0|0,0,2]=4 292 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,2,0,0,0,0|1,0,1]=4 293 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,2,0,0,0,0|1,0,1]=4 294 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,2,0,0,0,0|1,0,1]=4 295 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,2,0,0,0,0|2,0,0]=4 296 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,2,0,0,0,0|0,0,2]=4 297 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,2,0,0,0,0|0,0,2]=4 298 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,2,0,0,0,0|0,0,2]=4 299 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,2,0,0,0,0|0,0,2]=4 300 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,2,0,0,0,0|0,0,2]=4 301 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,2,0,0,0,0|0,0,2]=4 302 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,2,0,0,0,0|0,0,2]=4 303 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,2,0,0,0,0|0,0,2]=4 304 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,2,0,0,0,0|0,0,2]=4 305 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,2,0,0,0,0|0,0,2]=4 306 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,2,0,0,0,0|0,0,2]=4 307 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,2,0,0,0,0|0,0,0]=2 308 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,2,0,0,0,0|0,0,0]=2 309 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,2,0,0,0,0|0,0,0]=2 310 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,2,0,0,0,0|0,0,0]=2 311 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,2,0,0,0,0|0,0,0]=2 312 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,2,0,0,0,0|1,0,0]=3 313 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,2,0,0,0,0|1,0,0]=3 314 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,2,0,0,0,0|1,0,0]=3 315 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,2,0,0,0,0|1,0,1]=4 316 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,2,0,0,0,0|1,0,1]=4 317 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,2,0,0,0,0|1,0,1]=4 318 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,2,0,0,0,0|1,0,1]=4 319 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,2,0,0,0,0|1,0,1]=4 320 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,2,0,0,0,0|1,0,1]=4 321 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,2,0,0,0,0|1,0,1]=4 322 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,2,0,0,0,0|1,0,1]=4 323 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,2,0,0,0,0|1,0,1]=4 324 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,2,0,0,0,0|2,0,0]=4 325 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,2,0,0,0,0|0,0,2]=4 326 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,2,0,0,0,0|0,0,2]=4 327 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,2,0,0,0,0|0,0,2]=4 328 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,2,0,0,0,0|0,0,2]=4 329 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,2,0,0,0,0|0,0,2]=4 330 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,2,0,0,0,0|0,0,2]=4 331 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,2,0,0,0,0|0,0,2]=4 332 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,2,0,0,0,0|0,0,2]=4 333 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,2,0,0,0,0|0,0,2]=4 334 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,2,0,0,0,0|0,0,2]=4 335 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,2,0,0,0,0|1,0,1]=4 336 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,2,0,0,0,0|1,0,1]=4 337 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,2,0,0,0,0|1,0,1]=4 338 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,2,0,0,0,0|1,0,1]=4 339 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,2,0,0,0,0|1,0,1]=4 340 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,2,0,0,0,0|1,0,1]=4 341 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,2,0,0,0,0|1,0,1]=4 342 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,2,0,0,0,0|1,0,1]=4 343 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,2,0,0,0,0|1,0,1]=4 344 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,2,0,0,0,0|1,0,1]=4 345 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,2,0,0,0,0|1,0,1]=4 346 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,2,0,0,0,0|1,0,0]=3 347 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,2,0,0,0,0|1,0,0]=3 348 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,2,0,0,0,0|1,0,0]=3 349 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,2,0,0,0,0|1,0,0]=3 350 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,2,0,0,0,0|1,0,0]=3 351 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,2,0,0,0,0|1,0,0]=3 352 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,2,0,0,0,0|1,0,1]=4 353 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,2,0,0,0,0|1,0,1]=4 354 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,2,0,0,0,0|1,0,1]=4 355 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,2,0,0,0,0|1,0,1]=4 356 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,2,0,0,0,0|1,0,1]=4 357 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,2,0,0,0,0|1,0,1]=4 358 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,2,0,0,0,0|1,0,1]=4 359 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,2,0,0,0,0|1,0,1]=4 360 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,2,0,0,0,0|1,0,1]=4 361 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,2,0,0,0,0|1,0,1]=4 362 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,2,0,0,0,0|1,0,1]=4 363 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,2,0,0,0,0|1,0,1]=4 364 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,2,0,0,0,0|1,0,1]=4 365 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,2,0,0,0,0|1,0,1]=4 366 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,2,0,0,0,0|1,0,1]=4 367 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,2,0,0,0,0|1,0,1]=4 368 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,2,0,0,0,0|1,0,1]=4 369 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,2,0,0,0,0|1,0,1]=4 370 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,2,0,0,0,0|1,0,1]=4 371 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,2,0,0,0,0|1,0,1]=4 372 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,2,0,0,0,0|1,0,1]=4 373 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,2,0,0,0,0|1,0,1]=4 374 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,2,0,0,0,0|1,0,1]=4 375 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,2,0,0,0,0|2,0,0]=4 376 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,2,0,0,0,0|2,0,0]=4 377 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,2,0,0,0,0|2,0,0]=4 378 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,2,0,0,0,0|2,0,0]=4 379 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,2,0,0,0,0|1,0,1]=4 380 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,2,0,0,0,0|1,0,1]=4 381 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,2,0,0,0,0|1,0,1]=4 382 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,2,0,0,0,0|1,0,1]=4 383 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,2,0,0,0,0|1,0,1]=4 384 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,2,0,0,0,0|1,0,1]=4 385 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,2,0,0,0,0|1,0,1]=4 386 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,2,0,0,0,0|1,0,0]=3 387 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,2,0,0,0,0|1,0,0]=3 388 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,2,0,0,0,0|1,0,0]=3 389 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,2,0,0,0,0|0,0,1]=3 390 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,2,0,0,0,0|0,0,2]=4 391 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,2,0,0,0,0|0,0,0]=2 392 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,2,0,0,0,0|0,0,0]=2 393 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,2,0,0,0,0|0,0,0]=2 394 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,2,0,0,0,0|0,0,0]=2 395 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,2,0,0,0,0|0,0,0]=2 396 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,2,0,0,0,0|0,0,0]=2 397 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,2,0,0,0,0|1,0,0]=3 398 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,2,0,0,0,0|0,0,1]=3 399 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,2,0,0,0,0|0,0,1]=3 400 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,2,0,0,0,0|0,0,1]=3 401 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,2,0,0,0,0|0,0,2]=4 402 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,2,0,0,0,0|0,0,2]=4 403 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,2,0,0,0,0|0,0,2]=4 404 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,2,0,0,0,0|1,0,1]=4 405 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,2,0,0,0,0|0,0,2]=4 406 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,2,0,0,0,0|1,0,1]=4 407 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,2,0,0,0,0|1,0,1]=4 408 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,2,0,0,0,0|1,0,1]=4 409 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,2,0,0,0,0|1,0,1]=4 410 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,2,0,0,0,0|1,0,1]=4 411 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,2,0,0,0,0|1,0,1]=4 412 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,2,0,0,0,0|0,0,2]=4 413 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,2,0,0,0,0|1,0,1]=4 414 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,2,0,0,0,0|1,0,1]=4 415 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,2,0,0,0,0|1,0,1]=4 416 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,2,0,0,0,0|1,0,1]=4 417 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,2,0,0,0,0|1,0,1]=4 418 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,2,0,0,0,0|1,0,1]=4 419 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,2,0,0,0,0|1,0,1]=4 420 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,2,0,0,0,0|1,0,1]=4 421 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,2,0,0,0,0|0,0,2]=4 422 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,2,0,0,0,0|1,0,1]=4 423 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,2,0,0,0,0|1,0,0]=3 424 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,2,0,0,0,0|0,0,1]=3 425 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,2,0,0,0,0|0,0,0]=2 426 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,2,0,0,0,0|0,0,0]=2 427 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,2,0,0,0,0|2,0,0]=4 428 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,2,0,0,0,0|2,0,0]=4 429 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,2,0,0,0,0|1,0,1]=4 430 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,2,0,0,0,0|1,0,1]=4 431 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,2,0,0,0,0|2,0,0]=4 432 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,2,0,0,0,0|2,0,0]=4 433 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,2,0,0,0,0|2,0,0]=4 434 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,2,0,0,0,0|2,0,0]=4 435 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,2,0,0,0,0|2,0,0]=4 436 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,2,0,0,0,0|2,0,0]=4 437 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,2,0,0,0,0|1,0,1]=4 438 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,2,0,0,0,0|2,0,0]=4 439 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,2,0,0,0,0|2,0,0]=4 440 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,2,0,0,0,0|0,0,2]=4 441 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,2,0,0,0,0|0,0,2]=4 442 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,2,0,0,0,0|1,0,1]=4 443 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,2,0,0,0,0|1,0,1]=4 444 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,2,0,0,0,0|1,0,1]=4 445 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,2,0,0,0,0|1,0,1]=4 446 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,2,0,0,0,0|1,0,1]=4 447 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,2,0,0,0,0|0,0,2]=4 448 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,2,0,0,0,0|0,0,2]=4 449 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,2,0,0,0,0|0,0,2]=4 450 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,2,0,0,0,0|0,0,2]=4 451 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,2,0,0,0,0|0,0,2]=4 452 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,2,0,0,0,0|1,0,1]=4 453 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,2,0,0,0,0|1,0,1]=4 454 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,2,0,0,0,0|1,0,1]=4 455 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,2,0,0,0,0|1,0,1]=4 456 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,2,0,0,0,0|1,0,0]=3 457 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,2,0,0,0,0|1,0,0]=3 458 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,2,0,0,0,0|1,0,0]=3 459 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,2,0,0,0,0|1,0,1]=4 460 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,2,0,0,0,0|1,0,1]=4 461 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,2,0,0,0,0|1,0,1]=4 462 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,2,0,0,0,0|1,0,1]=4 463 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,2,0,0,0,0|1,0,1]=4 464 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,2,0,0,0,0|1,0,1]=4 465 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,2,0,0,0,0|1,0,1]=4 466 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,2,0,0,0,0|1,0,1]=4 467 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,2,0,0,0,0|1,0,1]=4 468 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,2,0,0,0,0|1,0,1]=4 469 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,2,0,0,0,0|1,0,1]=4 470 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,2,0,0,0,0|1,0,1]=4 471 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,2,0,0,0,0|1,0,1]=4 472 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,2,0,0,0,0|1,0,1]=4 473 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,2,0,0,0,0|1,0,1]=4 474 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,2,0,0,0,0|1,0,1]=4 475 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,2,0,0,0,0|1,0,1]=4 476 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,2,0,0,0,0|1,0,1]=4 477 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,2,0,0,0,0|1,0,1]=4 478 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,2,0,0,0,0|1,0,1]=4 479 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,2,0,0,0,0|1,0,1]=4 480 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,2,0,0,0,0|1,0,1]=4 481 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,2,0,0,0,0|1,0,1]=4 482 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,2,0,0,0,0|1,0,1]=4 483 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,2,0,0,0,0|1,0,1]=4 484 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,2,0,0,0,0|1,0,1]=4 485 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,2,0,0,0,0|1,0,1]=4 486 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,2,0,0,0,0|1,0,1]=4 487 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,2,0,0,0,0|1,0,1]=4 488 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,2,0,0,0,0|1,0,1]=4 489 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,2,0,0,0,0|1,0,1]=4 490 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,2,0,0,0,0|1,0,1]=4 491 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,2,0,0,0,0|1,0,1]=4 492 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,2,0,0,0,0|1,0,1]=4 493 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,2,0,0,0,0|1,0,1]=4 494 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,2,0,0,0,0|1,0,1]=4 495 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,2,0,0,0,0|1,0,1]=4 496 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,2,0,0,0,0|1,0,1]=4 497 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,2,0,0,0,0|1,0,1]=4 498 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,2,0,0,0,0|1,0,1]=4 499 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,2,0,0,0,0|1,0,1]=4 500 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,2,0,0,0,0|0,0,0]=2 501 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,2,0,0,0,0|1,0,1]=4 502 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,2,0,0,0,0|0,0,1]=3 503 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,2,0,0,0,0|0,0,1]=3 504 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,2,0,0,0,0|0,0,2]=4 505 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,2,0,0,0,0|0,0,2]=4 506 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,2,0,0,0,0|0,0,2]=4 507 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,2,0,0,0,0|0,0,2]=4 508 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,2,0,0,0,0|0,0,2]=4 509 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,2,0,0,0,0|0,0,2]=4 510 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,2,0,0,0,0|0,0,2]=4 511 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,2,0,0,0,0|1,0,1]=4 512 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,2,0,0,0,0|0,0,2]=4 513 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,2,0,0,0,0|0,1,1]=4 514 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,2,0,0,0,0|0,1,1]=4 515 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,2,0,0,0,0|0,0,2]=4 516 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,2,0,0,0,0|0,0,2]=4 517 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,2,0,0,0,0|0,0,2]=4 518 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,2,0,0,0,0|0,0,2]=4 519 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,2,0,0,0,0|0,0,2]=4 520 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,2,0,0,0,0|0,0,2]=4 521 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,2,0,0,0,0|0,0,2]=4 522 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,2,0,0,0,0|1,0,1]=4 523 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,2,0,0,0,0|1,0,1]=4 524 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,2,0,0,0,0|1,0,1]=4 525 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,2,0,0,0,0|1,0,1]=4 526 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,2,0,0,0,0|1,0,1]=4 527 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,2,0,0,0,0|1,0,1]=4 528 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,2,0,0,0,0|1,0,1]=4 529 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,2,0,0,0,0|1,0,1]=4 530 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,2,0,0,0,0|1,0,1]=4 531 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,2,0,0,0,0|0,0,2]=4 532 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,2,0,0,0,0|0,0,2]=4 533 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,2,0,0,0,0|0,0,2]=4 534 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,2,0,0,0,0|0,0,2]=4 535 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,2,0,0,0,0|0,0,2]=4 536 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,2,0,0,0,0|0,0,0]=2 537 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,2,0,0,0,0|0,0,0]=2 538 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,2,0,0,0,0|0,0,0]=2 539 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,2,0,0,0,0|1,0,1]=4 540 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,2,0,0,0,0|1,0,0]=3 541 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,2,0,0,0,0|0,0,2]=4 542 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,2,0,0,0,0|0,0,2]=4 543 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,2,0,0,0,0|0,0,0]=2 544 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,2,0,0,0,0|0,0,0]=2 545 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,2,0,0,0,0|0,0,2]=4 546 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,2,0,0,0,0|0,0,2]=4 547 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,2,0,0,0,0|0,0,2]=4 548 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,2,0,0,0,0|0,0,2]=4 549 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,2,0,0,0,0|0,0,2]=4 550 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,2,0,0,0,0|0,0,2]=4 551 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,2,0,0,0,0|0,0,2]=4 552 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,2,0,0,0,0|0,0,2]=4 553 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,2,0,0,0,0|0,0,2]=4 554 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,2,0,0,0,0|0,0,2]=4 555 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,2,0,0,0,0|1,0,1]=4 556 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,2,0,0,0,0|0,0,2]=4 557 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,2,0,0,0,0|0,0,2]=4 558 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,2,0,0,0,0|0,0,2]=4 559 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,2,0,0,0,0|0,0,2]=4 560 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,2,0,0,0,0|0,0,2]=4 561 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,2,0,0,0,0|0,0,2]=4 562 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,2,0,0,0,0|0,0,2]=4 563 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,2,0,0,0,0|0,0,2]=4 564 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,2,0,0,0,0|0,0,2]=4 565 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,2,0,0,0,0|0,0,2]=4 566 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,2,0,0,0,0|0,0,2]=4 567 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,2,0,0,0,0|1,0,1]=4 568 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,2,0,0,0,0|1,0,1]=4 569 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,2,0,0,0,0|1,0,1]=4 570 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,2,0,0,0,0|1,0,1]=4 571 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,2,0,0,0,0|0,0,2]=4 572 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,2,0,0,0,0|0,0,2]=4 573 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,2,0,0,0,0|0,0,2]=4 574 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,2,0,0,0,0|0,0,2]=4 575 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,2,0,0,0,0|1,0,1]=4 576 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,2,0,0,0,0|1,0,1]=4 577 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,2,0,0,0,0|0,0,0]=2 578 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,2,0,0,0,0|0,0,0]=2 579 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,2,0,0,0,0|0,0,2]=4 580 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,2,0,0,0,0|0,0,2]=4 581 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,2,0,0,0,0|0,0,2]=4 582 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,2,0,0,0,0|0,0,2]=4 583 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,2,0,0,0,0|0,0,2]=4 584 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,2,0,0,0,0|0,0,2]=4 585 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,2,0,0,0,0|0,0,2]=4 586 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,2,0,0,0,0|0,0,2]=4 587 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,2,0,0,0,0|0,0,2]=4 588 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,2,0,0,0,0|0,0,2]=4 589 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,2,0,0,0,0|1,0,1]=4 590 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,2,0,0,0,0|0,1,1]=4 591 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,2,0,0,0,0|0,1,1]=4 592 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,2,0,0,0,0|0,0,2]=4 593 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,2,0,0,0,0|0,0,2]=4 594 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,2,0,0,0,0|0,0,2]=4 595 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,2,0,0,0,0|0,0,2]=4 596 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,2,0,0,0,0|0,0,2]=4 597 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,2,0,0,0,0|0,0,2]=4 598 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,2,0,0,0,0|0,0,2]=4 599 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,2,0,0,0,0|1,0,1]=4 600 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,2,0,0,0,0|1,0,1]=4 601 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,2,0,0,0,0|1,0,1]=4 602 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,2,0,0,0,0|1,0,1]=4 603 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,2,0,0,0,0|1,0,1]=4 604 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,2,0,0,0,0|1,0,1]=4 605 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,2,0,0,0,0|1,0,1]=4 606 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,2,0,0,0,0|0,0,2]=4 607 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,2,0,0,0,0|1,0,1]=4 608 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,2,0,0,0,0|0,0,2]=4 609 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,2,0,0,0,0|0,0,2]=4 610 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,2,0,0,0,0|0,0,2]=4 611 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,2,0,0,0,0|0,0,2]=4 612 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [0,2,0,0,0,0|1,0,1]=4 613 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [0,2,0,0,0,0|1,0,1]=4 614 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [0,2,0,0,0,0|1,0,1]=4 615 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,2,0,0,0,0|0,0,2]=4 616 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,2,0,0,0,0|0,0,2]=4 617 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,2,0,0,0,0|0,0,2]=4 618 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,2,0,0,0,0|0,0,2]=4 619 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [0,2,0,0,0,0|0,0,2]=4 620 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,2,0,0,0,0|0,1,1]=4 621 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,2,0,0,0,0|0,1,1]=4 622 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [0,2,0,0,0,0|0,1,1]=4 623 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [0,2,0,0,0,0|0,1,1]=4 624 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [0,2,0,0,0,0|0,0,2]=4 625 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [0,2,0,0,0,0|0,0,2]=4 626 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [0,2,0,0,0,0|0,0,2]=4 627 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [0,2,0,0,0,0|0,0,2]=4 628 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [0,2,0,0,0,0|1,0,1]=4 629 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [0,2,0,0,0,0|1,0,1]=4 630 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [0,2,0,0,0,0|1,0,1]=4 631 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [0,2,0,0,0,0|0,0,2]=4 632 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [0,2,0,0,0,0|0,0,2]=4 633 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [0,2,0,0,0,0|0,0,2]=4 634 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [0,2,0,0,0,0|0,1,1]=4 635 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [0,2,0,0,0,0|0,1,1]=4 636 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [0,2,0,0,0,0|0,1,1]=4 637 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [0,2,0,0,0,0|0,1,1]=4 638 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,2,0,0,0,0|1,0,1]=4 639 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,2,0,0,0,0|0,0,2]=4 640 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,2,0,0,0,0|0,1,1]=4 641 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,2,0,0,0,0|0,1,1]=4 642 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [0,2,0,0,0,0|0,1,1]=4 643 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [0,2,0,0,0,0|0,1,1]=4 644 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,2,0,0,0,0|0,0,2]=4 645 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,2,0,0,0,0|0,0,2]=4 646 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,2,0,0,0,0|0,0,2]=4 647 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,2,0,0,0,0|0,0,2]=4 648 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,2,0,0,0,0|0,0,2]=4 649 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,2,0,0,0,0|0,0,2]=4 650 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,2,0,0,0,0|0,0,2]=4 651 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,2,0,0,0,0|0,0,2]=4 652 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,2,0,0,0,0|0,0,2]=4 653 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [0,2,0,0,0,0|0,0,2]=4 654 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [0,2,0,0,0,0|0,0,2]=4 655 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [0,2,0,0,0,0|1,0,1]=4 656 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [0,2,0,0,0,0|1,0,1]=4 657 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,2,0,0,0,0|0,0,2]=4 658 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [0,2,0,0,0,0|0,0,2]=4 659 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,2,0,0,0,0|0,0,2]=4 660 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,2,0,0,0,0|0,0,2]=4 661 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,2,0,0,0,0|0,0,2]=4 662 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [0,2,0,0,0,0|1,0,1]=4 663 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,2,0,0,0,0|0,0,2]=4 664 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,2,0,0,0,0|0,0,2]=4 665 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,2,0,0,0,0|0,0,2]=4 666 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,2,0,0,0,0|0,0,2]=4 667 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,2,0,0,0,0|0,0,2]=4 668 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,2,0,0,0,0|0,0,2]=4 669 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [0,2,0,0,0,0|1,0,1]=4 670 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [0,2,0,0,0,0|1,0,1]=4 671 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [0,2,0,0,0,0|1,0,1]=4 672 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [0,2,0,0,0,0|1,0,1]=4 673 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [0,2,0,0,0,0|1,0,1]=4 674 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [0,2,0,0,0,0|1,0,1]=4 675 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [0,2,0,0,0,0|1,0,1]=4 676 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [0,1,0,1,0,0|1,0,1]=4 677 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [0,1,0,1,0,0|1,0,1]=4 678 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [0,1,0,1,0,0|1,0,1]=4 679 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [0,1,0,1,0,0|0,0,2]=4 680 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [0,1,0,1,0,0|0,0,2]=4 681 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [0,1,0,1,0,0|0,0,2]=4 682 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [0,1,0,1,0,0|0,0,2]=4 683 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [0,1,0,1,0,0|1,0,1]=4 684 B6R1.2 Oc1cn[nH]c1 271570a_203496583355_100000238712 [0,1,0,1,0,0|2,0,0]=4 685 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [0,1,0,1,0,0|1,0,1]=4 686 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [0,1,0,1,0,0|1,0,1]=4 687 B6R1.2 Oc1cnoc1 271570a_203496583355_100009815712 [0,1,0,1,0,0|1,0,1]=4 688 B6R1.2 Oc1cnsc1 271570a_203496583355_100009815736 [0,1,0,1,0,0|1,1,0]=4 689 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [0,1,0,1,0,0|1,0,1]=4 690 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [0,1,0,1,0,0|1,0,1]=4 691 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [0,1,0,1,0,0|1,0,1]=4 692 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [0,1,0,1,0,0|1,0,1]=4 693 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [0,1,0,1,0,0|1,0,1]=4 694 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,1,0,1,0,0|0,0,2]=4 695 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,1,0,1,0,0|1,0,1]=4 696 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,1,0,1,0,0|0,0,2]=4 697 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,1,0,1,0,0|1,0,1]=4