0 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,0,0,0,0,0|2,1,0]=3 14 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,0,0,0,0,0|2,1,0]=3 15 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,0,0,0,0,0|2,1,0]=3 16 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,0,0,0,0,0|2,1,0]=3 17 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,0,0,0,0,0|2,1,0]=3 18 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,0,0,0,0,0|2,1,0]=3 19 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,0,0,0,0,0|2,1,0]=3 20 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,0,0,0,0,0|2,1,0]=3 21 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,0,0,0,0,0|2,1,0]=3 22 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,0,0,0,0,0|2,1,0]=3 23 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,0,0,0,0,0|2,0,2]=4 27 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,0,0,0,0,0|1,0,1]=2 30 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,0,0,0,0,0|1,0,1]=2 31 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,0,0,0,0,0|3,0,1]=4 46 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,0,0,0,0,0|3,0,1]=4 47 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,0,0,0,0,0|2,0,1]=3 49 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,0,0,0,0,0|2,0,1]=3 50 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,0,0,0,0,0|2,0,1]=3 51 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,0,0,0,0,0|2,0,1]=3 52 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,0,0,0,0,0|2,0,1]=3 53 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,0,0,0,0,0|4,0,0]=4 54 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,0,0,0,0,0|4,0,0]=4 55 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,0,0,0,0,0|4,0,0]=4 56 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,0,0,0,0,0|4,0,0]=4 57 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,0,0,0,0,0|4,0,0]=4 58 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,0,0,0,0,0|4,0,0]=4 59 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,0,0,0,0,0|3,0,1]=4 60 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,0,0,0,0,0|3,0,1]=4 61 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,0,0,0,0,0|4,0,0]=4 62 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,0,0,0,0,0|4,0,0]=4 64 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,0,0,0,0,0|2,0,2]=4 65 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,0,0,0,0,0|3,0,1]=4 66 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,0,0,0,0,0|4,0,0]=4 67 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,0,0,0,0,0|4,0,0]=4 68 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,0,0,0,0,0|3,0,1]=4 69 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,0,0,0,0,0|4,0,0]=4 70 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,0,0,0,0,0|4,0,0]=4 71 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,0,0,0,0,0|2,0,2]=4 72 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,0,0,0,0,0|1,0,1]=2 73 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,0,0,0,0,0|4,0,0]=4 74 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,0,0,0,0,0|4,0,0]=4 75 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,0,0,0,0,0|4,0,0]=4 76 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,0,0,0,0,0|4,0,0]=4 77 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,0,0,0,0,0|4,0,0]=4 78 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,0,0,0,0,0|4,0,0]=4 79 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|1,0,1]=3 81 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|1,0,1]=3 82 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|1,0,1]=3 83 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|1,0,1]=3 84 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|1,0,1]=3 95 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|2,0,0]=3 97 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|2,0,0]=3 98 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|2,0,0]=3 99 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|2,0,0]=3 102 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|2,0,0]=3 103 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|2,0,0]=3 106 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|2,0,0]=3 107 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|2,0,1]=4 109 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|2,0,1]=4 111 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|2,0,1]=4 112 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|2,0,1]=4 113 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|2,0,1]=4 114 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|2,0,1]=4 117 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|3,0,0]=4 118 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|3,0,0]=4 119 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|3,0,0]=4 120 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,0,0,0,0|2,0,1]=4 124 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,0,0,0,0|1,0,1]=3 125 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,0,0,0,0|1,0,1]=3 126 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,0,0,0,0|1,0,1]=3 128 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,0,0,0,0|1,0,1]=3 129 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|3,0,0]=4 130 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,0,0,0,0|2,0,1]=4 131 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|1,0,1]=3 134 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|3,0,0]=4 135 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|3,0,0]=4 136 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,0,0,0,0|2,0,1]=4 137 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,0,0,0,0|1,0,1]=3 139 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,0,0,0,0|1,0,1]=3 140 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,0,0,0,0|1,0,1]=3 142 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,0,0,0,0|1,0,1]=3 143 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|3,0,0]=4 146 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|3,0,0]=4 147 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,0,0,0,0|1,0,1]=3 150 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,0,0,0,0|1,0,1]=3 151 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,1,0,0,0,0|2,0,1]=4 153 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,1,0,0,0,0|1,0,1]=3 154 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.1 C=C(C#N)CNC 2230a_106832991635_100000694840 [0,1,0,0,0,0|3,0,0]=4 156 B6R0.1 C=C(C#N)CNC 34a_100102657272_100000694840 [0,1,0,0,0,0|3,0,0]=4 157 B6R0.1 C=C(C#N)COC 34a_100138415774_100000694840 [0,1,0,0,0,0|3,0,0]=4 158 B6R0.1 C=C(C#N)CSC 62a_200000210301_100000694840 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.1 C=C(C#N)CS[13CH3] 62a_200025704644_100000694840 [0,1,0,0,0,0|3,0,0]=4 160 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,1,0,0,0,0|2,0,0]=3 162 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,1,0,0,0,0|2,0,0]=3 163 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,1,0,0,0,0|1,0,0]=2 164 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,1,0,0,0,0|3,0,0]=4 165 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,1,0,0,0,0|2,0,1]=4 166 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,1,0,0,0,0|1,0,2]=4 167 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,1,0,0,0,0|1,0,2]=4 168 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,1,0,0,0,0|2,0,1]=4 169 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,1,0,0,0,0|1,0,1]=3 170 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,1,0,0,0,0|1,0,1]=3 171 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,1,0,0,0,0|2,0,1]=4 174 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,0,0,0,0|2,0,1]=4 176 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,0,0,0,0|2,0,1]=4 177 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,0,0,0,0|2,0,1]=4 178 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,1,0,0,0,0|2,0,1]=4 186 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,1,0,0,0,0|1,1,1]=4 188 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,1,0,0,0,0|1,0,1]=3 189 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,1,0,0,0,0|1,0,2]=4 190 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,1,0,0,0,0|1,0,2]=4 191 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,1,0,0,0,0|1,0,2]=4 192 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,1,0,0,0,0|1,0,2]=4 193 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,1,0,0,0,0|1,0,2]=4 194 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,1,0,0,0,0|1,0,2]=4 195 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,1,0,0,0,0|1,0,2]=4 196 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,1,0,0,0,0|1,0,2]=4 197 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,1,0,0,0,0|1,0,2]=4 198 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|1,0,2]=4 199 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,1,0,0,0,0|1,0,1]=3 200 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,1,0,0,0,0|1,0,1]=3 202 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,1,0,0,0,0|1,0,2]=4 203 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,1,0,0,0,0|3,0,0]=4 204 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,1,0,0,0,0|3,0,0]=4 205 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,1,0,0,0,0|3,0,0]=4 206 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,1,0,0,0,0|3,0,0]=4 207 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,1,0,0,0,0|3,0,0]=4 208 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,1,0,0,0,0|3,0,0]=4 209 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,1,0,0,0,0|0,1,2]=4 210 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,1,0,0,0,0|2,1,0]=4 211 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,1,0,0,0,0|2,1,0]=4 212 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,1,0,0,0,0|2,0,1]=4 213 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,1,0,0,0,0|2,0,1]=4 214 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,1,0,0,0,0|1,0,1]=3 215 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,1,0,0,0,0|1,0,1]=3 217 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,1,0,0,0,0|1,0,1]=3 225 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,1,0,0,0,0|2,0,1]=4 227 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,1,0,0,0,0|2,0,1]=4 229 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,1,0,0,0,0|2,0,1]=4 231 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,1,0,0,0,0|3,0,0]=4 232 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,1,0,0,0,0|1,0,1]=3 233 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,1,0,0,0,0|2,0,1]=4 235 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,1,0,0,0,0|2,0,1]=4 236 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,1,0,0,0,0|2,0,1]=4 237 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,1,0,0,0,0|2,0,1]=4 238 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,0,0,0,0|2,0,1]=4 239 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,0,0,0,0|2,0,1]=4 240 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,0,0,0,0|2,0,1]=4 241 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|2,0,1]=4 242 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|2,0,1]=4 243 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,1,0,0,0,0|1,0,1]=3 245 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,1,0,0,0,0|2,0,1]=4 246 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,1,0,0,0,0|2,0,1]=4 247 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,1,0,0,0,0|2,0,1]=4 248 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,1,0,0,0,0|0,0,0]=1 249 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,1,0,0,0,0|0,0,0]=1 250 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,1,0,0,0,0|2,0,0]=3 251 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,1,0,0,0,0|2,0,0]=3 252 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,1,0,0,0,0|2,0,0]=3 253 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,1,0,0,0,0|1,0,0]=2 254 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,1,0,0,0,0|1,0,0]=2 255 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,1,0,0,0,0|1,0,0]=2 256 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,1,0,0,0,0|1,1,0]=3 257 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,1,0,0,0,0|1,1,0]=3 258 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,1,0,0,0,0|1,1,0]=3 259 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,1,0,0,0,0|1,1,0]=3 260 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,1,0,0,0,0|2,0,0]=3 261 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,1,0,0,0,0|2,0,0]=3 262 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,1,0,0,0,0|2,0,0]=3 263 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,1,0,0,0,0|2,0,0]=3 264 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,1,0,0,0,0|2,0,0]=3 265 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,1,0,0,0,0|2,0,0]=3 266 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,1,0,0,0,0|2,0,0]=3 267 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,1,0,0,0,0|2,0,0]=3 268 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [0,1,0,0,0,0|1,1,0]=3 269 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,1,0,0,0,0|1,1,0]=3 270 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,1,0,0,0,0|1,1,0]=3 271 B6R0.4 C=C(F)COCF 34a_200010262243_100015361967 [0,1,0,0,0,0|1,1,0]=3 272 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,1,0,0,0,0|1,1,0]=3 273 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,1,0,0,0,0|1,1,0]=3 274 B6R0.4 C=C(F)CSCF 62a_100000042424_100015361967 [0,1,0,0,0,0|1,1,0]=3 275 B6R0.4 C=C(F)CSCF 62a_100015361967_100000042424 [0,1,0,0,0,0|1,1,0]=3 276 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,1,0,0,0,0|2,0,1]=4 278 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,1,0,0,0,0|1,0,2]=4 280 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,1,0,0,0,0|1,0,2]=4 281 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,1,0,0,0,0|2,0,1]=4 282 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,1,0,0,0,0|2,0,1]=4 283 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,1,0,0,0,0|2,0,1]=4 284 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,1,0,0,0,0|1,0,1]=3 285 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,1,0,0,0,0|1,0,1]=3 286 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,1,0,0,0,0|1,0,1]=3 287 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,1,0,0,0,0|1,1,1]=4 288 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,1,0,0,0,0|1,1,1]=4 289 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,1,0,0,0,0|2,0,1]=4 290 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,1,0,0,0,0|2,0,1]=4 291 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,1,0,0,0,0|2,0,1]=4 292 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,1,0,0,0,0|2,0,1]=4 293 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,1,0,0,0,0|2,0,1]=4 294 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,1,0,0,0,0|1,0,1]=3 295 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,1,0,0,0,0|1,0,1]=3 296 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,1,0,0,0,0|0,0,2]=3 297 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,1,0,0,0,0|1,0,2]=4 298 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,1,0,0,0,0|1,0,2]=4 299 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,1,0,0,0,0|1,0,2]=4 300 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,1,0,0,0,0|1,0,2]=4 301 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,1,0,0,0,0|1,0,2]=4 302 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,1,0,0,0,0|1,0,2]=4 303 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,1,0,0,0,0|1,0,2]=4 304 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,1,0,0,0,0|1,0,2]=4 305 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,1,0,0,0,0|1,0,2]=4 306 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,1,0,0,0,0|1,0,2]=4 307 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,1,0,0,0,0|2,0,1]=4 308 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,1,0,0,0,0|2,0,1]=4 309 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,1,0,0,0,0|2,0,1]=4 310 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,1,0,0,0,0|2,0,1]=4 311 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,1,0,0,0,0|2,0,1]=4 312 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,1,0,0,0,0|2,0,1]=4 313 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,1,0,0,0,0|2,0,1]=4 314 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,1,0,0,0,0|3,0,0]=4 315 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,1,0,0,0,0|3,0,0]=4 316 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,1,0,0,0,0|3,0,0]=4 317 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,1,0,0,0,0|2,0,1]=4 319 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,1,0,0,0,0|3,0,0]=4 320 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,1,0,0,0,0|2,0,1]=4 321 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,1,0,0,0,0|3,0,0]=4 322 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,1,0,0,0,0|1,0,2]=4 323 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,1,0,0,0,0|2,0,1]=4 324 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,1,0,0,0,0|3,0,0]=4 325 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,1,0,0,0,0|3,0,0]=4 326 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,1,0,0,0,0|2,0,1]=4 327 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,1,0,0,0,0|3,0,0]=4 328 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,1,0,0,0,0|3,0,0]=4 329 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,1,0,0,0,0|2,0,1]=4 330 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,1,0,0,0,0|2,0,1]=4 331 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,1,0,0,0,0|2,0,1]=4 332 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,1,0,0,0,0|2,0,1]=4 333 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,1,0,0,0,0|2,0,1]=4 334 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,1,0,0,0,0|2,0,1]=4 335 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,1,0,0,0,0|2,0,1]=4 336 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,1,0,0,0,0|3,0,0]=4 337 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,1,0,0,0,0|3,0,0]=4 338 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,1,0,0,0,0|3,0,0]=4 339 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,1,0,0,0,0|1,0,2]=4 340 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,1,0,0,0,0|1,0,2]=4 341 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,1,0,0,0,0|1,0,1]=3 342 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,1,0,0,0,0|1,0,1]=3 343 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,1,0,0,0,0|1,0,1]=3 344 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,1,0,0,0,0|1,0,1]=3 345 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,1,0,0,0,0|2,0,0]=3 346 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,1,0,0,0,0|2,0,0]=3 347 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,1,0,0,0,0|2,0,0]=3 348 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,1,0,0,0,0|1,0,1]=3 349 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,1,0,0,0,0|0,0,2]=3 350 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,1,0,0,0,0|1,0,2]=4 351 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,1,0,0,0,0|1,0,2]=4 352 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,1,0,0,0,0|1,0,2]=4 353 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,1,0,0,0,0|1,0,2]=4 354 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [0,1,0,0,0,0|1,1,1]=4 355 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,1,0,0,0,0|2,0,1]=4 356 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,1,0,0,0,0|2,0,1]=4 357 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,1,0,0,0,0|2,0,1]=4 358 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,1,0,0,0,0|2,0,1]=4 359 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,1,0,0,0,0|2,0,1]=4 360 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,1,0,0,0,0|2,0,1]=4 361 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,1,0,0,0,0|1,0,2]=4 362 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,1,0,0,0,0|2,0,1]=4 363 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,1,0,0,0,0|1,1,1]=4 364 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,1,0,0,0,0|1,1,1]=4 365 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,1,0,0,0,0|1,1,1]=4 366 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,1,0,0,0,0|1,1,1]=4 367 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,1,0,0,0,0|2,1,0]=4 368 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,1,0,0,0,0|2,1,0]=4 369 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,1,0,0,0,0|1,1,1]=4 370 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|1,0,2]=4 371 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,1,0,0,0,0|3,0,0]=4 372 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,1,0,0,0,0|3,0,0]=4 373 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,1,0,0,0,0|3,0,0]=4 374 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,1,0,0,0,0|3,0,0]=4 375 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,1,0,0,0,0|3,0,0]=4 376 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,1,0,0,0,0|1,0,2]=4 377 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,1,0,0,0,0|2,0,1]=4 378 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,1,0,0,0,0|2,0,0]=3 379 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,1,0,0,0,0|2,0,0]=3 380 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [0,1,0,0,0,0|1,1,1]=4 381 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,1,0,0,0,0|2,1,0]=4 382 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,1,0,0,0,0|2,1,0]=4 383 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [0,0,0,1,0,0|1,0,2]=4 384 B6R1.2 Oc1cnoc1 271570a_203496583355_100009815712 [0,0,0,1,0,0|2,0,1]=4 385 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [0,0,0,1,0,0|2,0,1]=4 386 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [0,0,0,1,0,0|2,0,1]=4 387 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,1,0,0|2,0,1]=4 388 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,0,0,1,0,0|1,0,1]=3 389 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,1,0,0|2,0,1]=4 390 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,0,0,1,0,0|1,0,1]=3 391 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,1]=4 392 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 393 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,1]=4 394 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 395 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,1]=4 396 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,1]=4 397 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,1]=4 398 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,1]=4 399 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,1]=4 400 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,1]=4 401 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,1]=4 402 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,1]=4 403 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|1,0,1]=4 404 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|1,0,1]=4 405 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,1,0,0,0,0|1,0,1]=4 406 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,1,0,0,0,0|1,0,0]=3 407 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,1,0,0,0,0|2,0,0]=4 408 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,1,0,0,0,0|2,0,0]=4 409 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,1,0,0,0,0|2,0,0]=4 410 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,1,0,0,0,0|1,0,1]=4 411 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,1,0,0,0,0|1,0,1]=4 412 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|1,0,1]=4 413 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,1,0,0,0,0|1,0,1]=4 414 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,1,0,0,0,0|1,0,1]=4 415 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,1,0,0,0,0|1,0,1]=4 416 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,1,0,0,0,0|1,0,1]=4 417 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,1,0,0,0,0|1,0,1]=4 418 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,1,0,0,0,0|1,0,1]=4 419 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,1,0,0,0,0|1,0,1]=4 420 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|1,0,1]=4 421 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|1,0,1]=4 422 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|1,0,1]=4 423 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|1,0,1]=4 424 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|1,0,1]=4 425 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|1,0,1]=4 426 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|1,0,1]=4 427 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|1,0,1]=4 428 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|1,0,1]=4 429 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|1,0,1]=4 430 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|1,0,1]=4 431 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|1,0,1]=4 432 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|1,0,1]=4 433 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,1,0,0,0,0|0,0,2]=4 434 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,1,0,0,0,0|0,0,2]=4 435 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,1,0,0,0,0|0,0,2]=4 436 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|2,0,0]=4 437 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|2,0,0]=4 438 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,1,0,0,0,0|0,0,2]=4 439 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,1,0,0,0,0|0,0,2]=4 440 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,1,0,0,0,0|0,0,2]=4 441 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,1,0,0,0,0|2,0,0]=4 442 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,1,0,0,0,0|2,0,0]=4 443 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,1,0,0,0,0|2,0,0]=4 444 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,1,0,0,0,0|2,0,0]=4 445 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,1,0,0,0,0|1,0,0]=3 446 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,1,0,0,0,0|1,0,0]=3 447 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,1,0,0,0,0|1,0,0]=3 448 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,1,0,0,0,0|1,0,0]=3 449 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,1,0,0,0,0|1,0,0]=3 450 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,1,0,0,0,0|0,0,0]=2 451 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,1,0,0,0,0|0,0,0]=2 452 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,1,0,0,0,0|0,0,0]=2 453 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,1,0,0,0,0|0,1,0]=3 454 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,1,0,0,0,0|0,1,0]=3 455 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,1,0,0,0,0|0,1,0]=3 456 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,1,0,0,0,0|0,1,0]=3 457 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,1,0,0,0,0|1,0,0]=3 458 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,1,0,0,0,0|1,0,0]=3 459 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,1,0,0,0,0|1,0,0]=3 460 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,1,0,0,0,0|1,0,0]=3 461 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,1,0,0,0,0|1,0,0]=3 462 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,1,0,0,0,0|1,0,0]=3 463 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,1,0,0,0,0|1,0,0]=3 464 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,1,0,0,0,0|1,0,0]=3 465 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,1,0,0,0,0|1,0,0]=3 466 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|2,0,0]=4 467 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|2,0,0]=4 468 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|2,0,0]=4 469 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,1,0,0,0,0|0,0,2]=4 470 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,1,0,0,0,0|2,0,0]=4 471 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,1,0,0,0,0|2,0,0]=4 472 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,1,0,0,0,0|2,0,0]=4 473 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,1,0,0,0,0|2,0,0]=4 474 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,1,0,0,0,0|0,0,2]=4 475 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,1,0,0,0,0|0,0,2]=4 476 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,1,0,0,0,0|0,0,2]=4 477 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,1,0,0,0,0|0,0,2]=4 478 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,1,0,0,0,0|0,0,2]=4 479 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,1,0,0,0,0|2,0,0]=4 480 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,1,0,0,0,0|0,0,2]=4 481 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,1,0,0,0,0|0,0,2]=4 482 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,1,0,0,0,0|0,0,2]=4 483 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,1,0,0,0,0|2,0,0]=4 484 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,1,0,0,0,0|1,0,1]=4 485 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,1,0,0,0,0|0,0,2]=4 486 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,1,0,0,0,0|2,0,0]=4 487 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,1,0,0,0,0|2,0,0]=4 488 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,1,0,0,0,0|0,0,2]=4 489 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,1,0,0,0,0|0,0,2]=4 490 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,1,0,0,0,0|0,0,2]=4 491 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,1,0,0,0,0|0,0,2]=4 492 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,1,0,0,0,0|0,0,2]=4 493 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,1,0,0,0,0|1,0,1]=4 494 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,1,0,0,0,0|1,0,1]=4 495 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,1,0,0,0,0|1,0,1]=4 496 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,1,0,0,0,0|1,0,1]=4 497 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,1,0,0,0,0|0,0,1]=3 498 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,1,0,0,0,0|0,1,1]=4 499 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,1,0,0,0,0|0,1,1]=4 500 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,1,0,0,0,0|0,1,1]=4 501 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,1,0,0,0,0|1,0,1]=4 502 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,1,0,0,0,0|0,0,2]=4 503 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,1,0,0,0,0|1,0,1]=4 504 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,1,0,0,0,0|1,0,1]=4 505 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,1,0,0,0,0|1,0,1]=4 506 B5R0.2 COCCON 34a_100000700252_200000210301 [1,1,0,0,0,0|1,0,1]=4 507 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,1,0,0,0,0|1,0,1]=4 508 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,1,0,0,0,0|1,0,1]=4 509 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,1,0,0,0,0|1,0,1]=4 510 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,1,0,0,0,0|1,0,1]=4 511 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,1,0,0,0,0|1,0,1]=4 512 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,1,0,0,0,0|1,0,1]=4 513 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,1,0,0,0,0|1,0,1]=4 514 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,1,0,0,0,0|1,0,1]=4 515 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,1,0,0,0,0|0,0,2]=4 516 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,1,0,0,0,0|0,0,2]=4 517 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,1,0,0,0,0|1,0,1]=4 518 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,1,0,0,0,0|1,0,1]=4 519 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [1,1,0,0,0,0|1,0,1]=4 520 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,1,0,0,0,0|2,0,0]=4 521 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,1,0,0,0,0|2,0,0]=4 522 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,1,0,0,0,0|0,1,1]=4 523 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,1,0,0,0,0|0,1,1]=4 524 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,1,0,0,0,0|0,1,1]=4 525 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,1,0,0,0,0|0,0,1]=3 526 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,1,0,0,0,0|0,1,1]=4 527 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,1,0,0,0,0|0,1,1]=4 528 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,1,0,0,0,0|1,0,1]=4 529 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,1,0,0,0,0|1,0,1]=4 530 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,1,0,0,0,0|0,0,2]=4 531 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,1,0,0,0,0|0,0,2]=4 532 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [0,2,0,0,0,0|1,0,1]=4 533 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,2,0,0,0,0|2,0,0]=4 534 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,2,0,0,0,0|1,0,0]=3 535 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,2,0,0,0,0|2,0,0]=4 536 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,2,0,0,0,0|2,0,0]=4 537 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,2,0,0,0,0|2,0,0]=4 538 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,2,0,0,0,0|2,0,0]=4 539 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,2,0,0,0,0|2,0,0]=4 540 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,2,0,0,0,0|2,0,0]=4 541 B7R0.2 C=C(C)CN(C)CF 269982a_100000225649_100015361967 [0,2,0,0,0,0|2,0,0]=4 542 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,2,0,0,0,0|2,0,0]=4 543 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,2,0,0,0,0|2,0,0]=4 544 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,2,0,0,0,0|1,1,0]=4 545 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,2,0,0,0,0|0,1,0]=3 546 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [0,2,0,0,0,0|1,1,0]=4 547 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [0,2,0,0,0,0|1,1,0]=4 548 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,2,0,0,0,0|2,0,0]=4 549 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,2,0,0,0,0|1,0,0]=3 550 B7R0.2 C=CC(=O)CC(F)F 1458a_100000185746_100011934356 [0,2,0,0,0,0|2,0,0]=4 551 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,2,0,0,0,0|1,0,1]=4 552 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,2,0,0,0,0|1,0,1]=4 553 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,2,0,0,0,0|1,0,1]=4 554 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,2,0,0,0,0|1,0,1]=4 555 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,2,0,0,0,0|1,0,1]=4 556 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,2,0,0,0,0|1,0,1]=4 557 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,2,0,0,0,0|1,0,1]=4 558 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,2,0,0,0,0|1,0,1]=4 559 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,2,0,0,0,0|1,0,1]=4 560 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,2,0,0,0,0|2,0,0]=4 561 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,2,0,0,0,0|1,0,1]=4 562 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,2,0,0,0,0|1,0,1]=4 563 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,2,0,0,0,0|2,0,0]=4 564 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,2,0,0,0,0|2,0,0]=4 565 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,2,0,0,0,0|2,0,0]=4 566 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,2,0,0,0,0|1,0,1]=4 567 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,2,0,0,0,0|1,0,1]=4 568 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [0,2,0,0,0,0|2,0,0]=4 569 B7R0.3 C=C(C#N)CNCC 2230a_100015525214_100000694840 [0,2,0,0,0,0|2,0,0]=4 570 B7R0.3 C=C(C#N)COCC 34a_100121572206_100000694840 [0,2,0,0,0,0|2,0,0]=4 571 B7R0.3 C=C(C#N)CSCC 62a_100000210202_100000694840 [0,2,0,0,0,0|2,0,0]=4 572 B7R0.3 C=C(C#N)CSCF 62a_100015361967_100000694840 [0,2,0,0,0,0|2,0,0]=4 573 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [0,2,0,0,0,0|2,0,0]=4 574 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,2,0,0,0,0|2,0,0]=4 575 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,2,0,0,0,0|2,0,0]=4 576 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,2,0,0,0,0|1,0,0]=3 577 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,2,0,0,0,0|1,0,0]=3 578 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,2,0,0,0,0|1,1,0]=4 579 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,2,0,0,0,0|2,0,0]=4 580 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,2,0,0,0,0|2,0,0]=4 581 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,2,0,0,0,0|2,0,0]=4 582 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,2,0,0,0,0|2,0,0]=4 583 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,2,0,0,0,0|1,0,0]=3 584 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,2,0,0,0,0|1,0,1]=4 585 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [0,2,0,0,0,0|1,0,1]=4 586 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,2,0,0,0,0|2,0,0]=4 587 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,2,0,0,0,0|1,0,1]=4 588 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,2,0,0,0,0|1,0,1]=4 589 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,2,0,0,0,0|1,0,1]=4 590 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,2,0,0,0,0|1,0,1]=4 591 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,2,0,0,0,0|1,0,1]=4 592 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,2,0,0,0,0|1,0,1]=4 593 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,2,0,0,0,0|1,0,1]=4 594 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,2,0,0,0,0|1,0,1]=4 595 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,2,0,0,0,0|1,0,1]=4 597 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,2,0,0,0,0|1,0,1]=4 598 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,2,0,0,0,0|1,0,1]=4 599 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,2,0,0,0,0|1,0,1]=4 600 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,2,0,0,0,0|1,0,1]=4 602 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,2,0,0,0,0|1,0,1]=4 603 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [0,2,0,0,0,0|2,0,0]=4 604 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,2,0,0,0,0|1,0,1]=4 605 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,2,0,0,0,0|1,0,1]=4 606 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,2,0,0,0,0|1,0,1]=4 607 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,2,0,0,0,0|1,0,1]=4 608 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,2,0,0,0,0|1,0,1]=4 609 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,2,0,0,0,0|1,0,1]=4 610 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [0,2,0,0,0,0|2,0,0]=4 611 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,2,0,0,0,0|1,0,1]=4 612 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,2,0,0,0,0|2,0,0]=4 613 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,2,0,0,0,0|2,0,0]=4 614 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,2,0,0,0,0|1,0,0]=3 615 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,2,0,0,0,0|2,0,0]=4 616 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,2,0,0,0,0|1,0,1]=4 617 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,2,0,0,0,0|1,0,1]=4 618 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,2,0,0,0,0|1,0,1]=4 619 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,2,0,0,0,0|1,0,1]=4 620 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,2,0,0,0,0|1,0,1]=4 621 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,2,0,0,0,0|1,0,1]=4 622 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,2,0,0,0,0|1,0,1]=4 623 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,2,0,0,0,0|1,0,1]=4 624 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,2,0,0,0,0|1,0,1]=4 625 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,2,0,0,0,0|1,0,1]=4 626 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,2,0,0,0,0|1,0,1]=4 627 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,2,0,0,0,0|1,0,1]=4 628 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,2,0,0,0,0|1,0,1]=4 629 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,2,0,0,0,0|1,0,1]=4 630 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,2,0,0,0,0|2,0,0]=4 631 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,2,0,0,0,0|1,0,1]=4 632 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,2,0,0,0,0|1,0,1]=4 633 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,2,0,0,0,0|1,0,1]=4 634 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,2,0,0,0,0|2,0,0]=4 635 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [0,2,0,0,0,0|1,0,1]=4 636 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [0,2,0,0,0,0|1,0,1]=4 637 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,2,0,0,0,0|2,0,0]=4 638 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,2,0,0,0,0|2,0,0]=4 639 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,2,0,0,0,0|2,0,0]=4 640 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,2,0,0,0,0|1,0,0]=3 641 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,2,0,0,0,0|1,0,0]=3 642 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [0,2,0,0,0,0|2,0,0]=4 643 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [0,2,0,0,0,0|2,0,0]=4 644 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [0,2,0,0,0,0|2,0,0]=4 645 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [0,2,0,0,0,0|2,0,0]=4 646 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,2,0,0,0,0|1,0,1]=4 647 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,2,0,0,0,0|2,0,0]=4 648 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,2,0,0,0,0|2,0,0]=4 649 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,2,0,0,0,0|1,0,0]=3 650 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,2,0,0,0,0|2,0,0]=4 651 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,2,0,0,0,0|2,0,0]=4 652 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,2,0,0,0,0|2,0,0]=4 653 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,2,0,0,0,0|1,0,1]=4 654 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,2,0,0,0,0|1,0,1]=4 655 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,2,0,0,0,0|1,0,1]=4 656 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,2,0,0,0,0|2,0,0]=4 657 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,2,0,0,0,0|2,0,0]=4 658 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,2,0,0,0,0|1,0,1]=4 659 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,2,0,0,0,0|1,0,1]=4 660 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,2,0,0,0,0|1,0,1]=4 661 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [0,2,0,0,0,0|1,0,1]=4 662 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [0,2,0,0,0,0|1,0,1]=4 663 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,2,0,0,0,0|2,0,0]=4 664 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,2,0,0,0,0|1,0,0]=3 665 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,2,0,0,0,0|2,0,0]=4 666 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,2,0,0,0,0|1,0,0]=3 667 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,2,0,0,0,0|2,0,0]=4 668 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,2,0,0,0,0|1,0,0]=3 669 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,2,0,0,0,0|1,0,1]=4 670 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,2,0,0,0,0|1,0,1]=4 671 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,2,0,0,0,0|2,0,0]=4 672 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,2,0,0,0,0|1,0,1]=4 673 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,2,0,0,0,0|1,0,1]=4 674 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,2,0,0,0,0|1,0,1]=4 675 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,2,0,0,0,0|1,0,1]=4 676 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,2,0,0,0,0|1,0,1]=4 677 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,2,0,0,0,0|1,0,1]=4 678 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,2,0,0,0,0|1,0,1]=4 679 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,2,0,0,0,0|2,0,0]=4 680 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,2,0,0,0,0|2,0,0]=4 681 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,2,0,0,0,0|2,0,0]=4 682 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,2,0,0,0,0|2,0,0]=4 683 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,2,0,0,0,0|2,0,0]=4 684 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,2,0,0,0,0|2,0,0]=4 685 B7R0.4 C#CCNCC(=C)C 34a_100000212058_100000748629 [0,2,0,0,0,0|2,0,0]=4 686 B7R0.4 C#CCNCC(=C)F 34a_100000212058_100009893438 [0,2,0,0,0,0|1,1,0]=4 687 B7R0.4 C#CCOCC(=C)C 34a_100000210245_100000184674 [0,2,0,0,0,0|2,0,0]=4 688 B7R0.4 C#CCOCC(=C)C 34a_100000210247_100000748629 [0,2,0,0,0,0|2,0,0]=4 689 B7R0.4 C#CCOCC(=C)F 34a_100000210247_100009893438 [0,2,0,0,0,0|1,1,0]=4 690 B7R0.4 C#CCOCC(=C)F 34a_200010262243_100000184674 [0,2,0,0,0,0|1,1,0]=4 691 B7R0.4 C#CCSCC(=C)C 62a_100000038162_100000211660 [0,2,0,0,0,0|2,0,0]=4 692 B7R0.4 C#CCSCC(=C)F 62a_100000038162_100000042424 [0,2,0,0,0,0|1,1,0]=4 693 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,2,0,0,0,0|0,0,0]=2 694 B7R0.4 C=C(Br)CCOCF 34a_100009813270_100015361967 [0,2,0,0,0,0|0,0,0]=2 695 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,2,0,0,0,0|2,0,0]=4 696 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,2,0,0,0,0|1,0,0]=3 697 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,2,0,0,0,0|1,0,0]=3 698 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,2,0,0,0,0|1,0,0]=3 699 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,2,0,0,0,0|1,1,0]=4 700 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,2,0,0,0,0|1,1,0]=4 701 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,2,0,0,0,0|1,1,0]=4 702 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,2,0,0,0,0|1,1,0]=4 703 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [0,2,0,0,0,0|2,0,0]=4 704 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,2,0,0,0,0|1,0,0]=3 705 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,2,0,0,0,0|1,0,0]=3 706 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,2,0,0,0,0|1,0,1]=4 707 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [0,2,0,0,0,0|2,0,0]=4 708 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,2,0,0,0,0|2,0,0]=4 709 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,2,0,0,0,0|2,0,0]=4 710 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [0,2,0,0,0,0|2,0,0]=4 711 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,2,0,0,0,0|2,0,0]=4 712 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,2,0,0,0,0|1,0,0]=3 713 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [0,2,0,0,0,0|1,1,0]=4 714 B7R0.4 C=C(C)CSCC#N 62a_100000748629_100011215382 [0,2,0,0,0,0|2,0,0]=4 715 B7R0.4 C=C(C)CSCC#N 62a_100011215382_100000211660 [0,2,0,0,0,0|2,0,0]=4 716 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,2,0,0,0,0|1,0,1]=4 717 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,2,0,0,0,0|1,0,1]=4 718 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,2,0,0,0,0|2,0,0]=4 719 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,2,0,0,0,0|2,0,0]=4 720 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,2,0,0,0,0|2,0,0]=4 721 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,2,0,0,0,0|2,0,0]=4 722 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,2,0,0,0,0|1,0,0]=3 723 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,2,0,0,0,0|1,0,0]=3 724 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [0,2,0,0,0,0|1,0,0]=3 725 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [0,2,0,0,0,0|1,0,0]=3 726 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,2,0,0,0,0|1,1,0]=4 727 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,2,0,0,0,0|1,1,0]=4 728 B7R0.4 C=C(F)CNCCF 34a_100000724931_100009893438 [0,2,0,0,0,0|1,1,0]=4 729 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [0,2,0,0,0,0|0,1,0]=3 730 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [0,2,0,0,0,0|0,1,0]=3 731 B7R0.4 C=C(F)COCC=O 34a_200010262243_200009817547 [0,2,0,0,0,0|0,1,1]=4 732 B7R0.4 C=C(F)COCCBr 34a_100000211926_100009893438 [0,2,0,0,0,0|1,1,0]=4 733 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,2,0,0,0,0|1,1,0]=4 734 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,2,0,0,0,0|1,1,0]=4 735 B7R0.4 C=C(F)COCCF 34a_200010262243_100011217306 [0,2,0,0,0,0|1,1,0]=4 736 B7R0.4 C=C(F)COCCN 34a_100000210304_100009893438 [0,2,0,0,0,0|1,1,0]=4 737 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [0,2,0,0,0,0|0,1,0]=3 738 B7R0.4 C=C(F)COCSC 34a_200010262243_100011218213 [0,2,0,0,0,0|0,2,0]=4 739 B7R0.4 C=C(F)CSCC#N 62a_100000042424_100011215382 [0,2,0,0,0,0|1,1,0]=4 740 B7R0.4 C=C(F)CSCC#N 62a_100011215382_100000042424 [0,2,0,0,0,0|1,1,0]=4 741 B7R0.4 C=C(F)CSCC=O 62a_100000042424_200015260668 [0,2,0,0,0,0|0,1,1]=4 742 B7R0.4 C=C(F)CSCC=O 62a_200015260668_100000042424 [0,2,0,0,0,0|0,1,1]=4 743 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,2,0,0,0,0|1,1,0]=4 744 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,2,0,0,0,0|1,1,0]=4 745 B7R0.4 C=C(F)CSCCF 62a_100000042424_100011217306 [0,2,0,0,0,0|1,1,0]=4 746 B7R0.4 C=C(F)CSCCF 62a_100011217306_100000042424 [0,2,0,0,0,0|1,1,0]=4 747 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [0,2,0,0,0,0|0,1,0]=3 748 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [0,2,0,0,0,0|0,1,0]=3 749 B7R0.4 C=C(F)CSCOC 62a_100000042424_100000766300 [0,2,0,0,0,0|0,1,0]=3 750 B7R0.4 C=C(F)CSCOC 62a_100000766300_100000042424 [0,2,0,0,0,0|0,1,0]=3 751 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [0,2,0,0,0,0|0,2,0]=4 752 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [0,2,0,0,0,0|0,2,0]=4 753 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [0,2,0,0,0,0|2,0,0]=4 754 B7R0.4 C=CCNCC(=C)F 2230a_100020586998_100009893438 [0,2,0,0,0,0|1,1,0]=4 755 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [0,2,0,0,0,0|2,0,0]=4 756 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [0,2,0,0,0,0|2,0,0]=4 757 B7R0.4 C=CCOCC(=C)F 34a_200000210373_100009893438 [0,2,0,0,0,0|1,1,0]=4 758 B7R0.4 C=CCOCC(=C)F 34a_200010262243_100015514636 [0,2,0,0,0,0|1,1,0]=4 759 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [0,2,0,0,0,0|2,0,0]=4 760 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [0,2,0,0,0,0|2,0,0]=4 761 B7R0.4 C=CCSCC(=C)F 62a_100000042424_100000210623 [0,2,0,0,0,0|1,1,0]=4 762 B7R0.4 C=CCSCC(=C)F 62a_100000210623_100000042424 [0,2,0,0,0,0|1,1,0]=4 763 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,2,0,0,0,0|1,0,1]=4 764 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [0,2,0,0,0,0|1,0,1]=4 765 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,2,0,0,0,0|1,0,1]=4 766 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,2,0,0,0,0|1,0,1]=4 767 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,2,0,0,0,0|1,0,1]=4 768 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,2,0,0,0,0|1,0,1]=4 769 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,2,0,0,0,0|1,0,1]=4 770 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,2,0,0,0,0|1,0,1]=4 771 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,2,0,0,0,0|1,0,1]=4 772 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,2,0,0,0,0|1,0,1]=4 773 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,2,0,0,0,0|1,0,1]=4 774 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,2,0,0,0,0|1,0,1]=4 775 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,2,0,0,0,0|1,0,1]=4 776 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,2,0,0,0,0|1,0,1]=4 777 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [0,2,0,0,0,0|0,0,2]=4 778 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [0,2,0,0,0,0|0,0,2]=4 779 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,2,0,0,0,0|1,0,1]=4 780 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,2,0,0,0,0|1,0,1]=4 781 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,2,0,0,0,0|1,0,1]=4 782 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,2,0,0,0,0|1,0,1]=4 783 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,2,0,0,0,0|2,0,0]=4 784 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,2,0,0,0,0|2,0,0]=4 785 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,2,0,0,0,0|2,0,0]=4 786 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,2,0,0,0,0|1,0,1]=4 787 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,2,0,0,0,0|0,0,2]=4 788 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,2,0,0,0,0|1,0,1]=4 789 B7R0.4 COCCC=C(F)F 34a_100138415774_200009816681 [0,2,0,0,0,0|1,1,0]=4 790 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,2,0,0,0,0|1,0,1]=4 791 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,2,0,0,0,0|1,0,1]=4 792 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,2,0,0,0,0|1,0,1]=4 793 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,2,0,0,0,0|1,0,1]=4 794 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,2,0,0,0,0|1,0,1]=4 795 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,2,0,0,0,0|2,0,0]=4 796 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,2,0,0,0,0|1,0,1]=4 797 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,2,0,0,0,0|1,0,1]=4 798 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,2,0,0,0,0|1,0,1]=4 799 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,2,0,0,0,0|1,0,1]=4 800 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,2,0,0,0,0|1,0,1]=4 801 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,2,0,0,0,0|2,0,0]=4 802 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,2,0,0,0,0|1,0,1]=4 803 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,2,0,0,0,0|2,0,0]=4 804 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,2,0,0,0,0|2,0,0]=4 805 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,2,0,0,0,0|2,0,0]=4 806 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,2,0,0,0,0|2,0,0]=4 807 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,2,0,0,0,0|2,0,0]=4 808 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,2,0,0,0,0|2,0,0]=4 809 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,2,0,0,0,0|2,0,0]=4 810 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,2,0,0,0,0|2,0,0]=4 811 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,2,0,0,0,0|2,0,0]=4 812 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,2,0,0,0,0|2,0,0]=4 813 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,2,0,0,0,0|2,0,0]=4 814 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,2,0,0,0,0|2,0,0]=4 815 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,2,0,0,0,0|2,0,0]=4 816 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,2,0,0,0,0|2,0,0]=4 817 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,2,0,0,0,0|2,0,0]=4 818 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,2,0,0,0,0|2,0,0]=4 819 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,2,0,0,0,0|2,0,0]=4 820 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,2,0,0,0,0|2,0,0]=4 821 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,2,0,0,0,0|2,0,0]=4 822 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,2,0,0,0,0|1,0,1]=4 823 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,2,0,0,0,0|1,0,1]=4 824 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,2,0,0,0,0|2,0,0]=4 825 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,2,0,0,0,0|2,0,0]=4 826 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,2,0,0,0,0|1,0,1]=4 827 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,2,0,0,0,0|1,0,1]=4 828 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,2,0,0,0,0|1,0,1]=4 829 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,2,0,0,0,0|2,0,0]=4 830 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,2,0,0,0,0|2,0,0]=4 831 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,2,0,0,0,0|2,0,0]=4 832 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,2,0,0,0,0|2,0,0]=4 833 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,2,0,0,0,0|2,0,0]=4 834 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,2,0,0,0,0|2,0,0]=4 835 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,2,0,0,0,0|2,0,0]=4 836 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,2,0,0,0,0|2,0,0]=4 837 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,2,0,0,0,0|1,1,0]=4 838 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,2,0,0,0,0|1,1,0]=4 839 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,2,0,0,0,0|1,1,0]=4 840 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,2,0,0,0,0|1,1,0]=4 841 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,2,0,0,0,0|1,1,0]=4 842 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,2,0,0,0,0|1,1,0]=4 843 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,2,0,0,0,0|1,0,1]=4 844 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,2,0,0,0,0|1,0,1]=4 845 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,2,0,0,0,0|1,0,1]=4 846 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,2,0,0,0,0|1,0,1]=4 847 B7R1.2 Oc1cc(n[nH]1)Br 271570a_203496583355_100160470719 [0,1,0,1,0,0|1,0,1]=4 848 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [0,1,0,1,0,0|1,0,1]=4 849 B7R1.2 Oc1nc(cs1)Br 271570a_203496583355_200016082925 [0,1,0,1,0,0|1,0,1]=4 850 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [0,1,0,1,0,0|2,0,0]=4 851 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [0,1,0,1,0,0|2,0,0]=4 852 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,1,0,1,0,0|1,0,1]=4 853 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,1,0,1,0,0|1,0,1]=4 854 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,1,0,1,0,0|1,0,1]=4 855 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,1,0,1,0,0|1,0,1]=4 856 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,1,0,1,0,0|1,0,1]=4 857 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,1,0,1,0,0|1,0,1]=4 858 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,1,0,1,0,0|1,0,1]=4 859 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,1,0,1,0,0|1,0,1]=4 860 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,1,0,1,0,0|1,0,1]=4 861 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,1,0,1,0,0|1,0,1]=4 862 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,1,0,1,0,0|1,0,1]=4 863 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,1,0,1,0,0|1,0,1]=4 864 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,1,0,1,0,0|1,0,1]=4