0 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,0,0,0,0,0|1,0,2]=3 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|3,0,0]=3 14 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,0,0,0,0,0|1,0,2]=3 24 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,0,0,0,0,0|1,0,2]=3 25 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,0,0,0,0,0|1,0,2]=3 26 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,0,0,0,0,0|1,0,2]=3 27 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,0,0,0,0,0|1,0,2]=3 28 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,0,0,0,0,0|2,0,0]=2 36 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,0,0,0,0,0|2,0,0]=2 37 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,0,0,0,0,0|1,0,2]=3 49 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,0,0,0,0,0|1,0,2]=3 50 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,0,0,0,0,0|1,0,0]=1 51 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,0,0,0,0,0|1,0,0]=1 52 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,0,0,0,0,0|1,0,0]=1 53 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,0,0,0,0,0|3,0,0]=3 54 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,0,0,0,0,0|3,0,0]=3 55 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,0,0,0,0,0|3,0,0]=3 56 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,0,0,0,0,0|3,0,0]=3 57 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,0,0,0,0,0|3,0,0]=3 58 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,0,0,0,0,0|2,0,0]=2 60 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,0,0,0,0,0|2,0,0]=2 61 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,0,0,0,0,0|2,0,0]=2 62 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,0,0,0,0,0|3,0,1]=4 64 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,0,0,0,0,0|3,0,1]=4 66 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,0,0,0,0,0|3,0,1]=4 67 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,0,0,0,0,0|3,0,1]=4 68 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,0,0,0,0,0|3,0,1]=4 69 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,0,0,0,0,0|4,0,0]=4 70 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,0,0,0,0,0|4,0,0]=4 71 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,0,0,0,0,0|4,0,0]=4 72 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,0,0,0,0,0|4,0,0]=4 73 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,0,0,0,0,0|4,0,0]=4 74 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,0,0,0,0,0|4,0,0]=4 75 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,0,0,0,0,0|4,0,0]=4 76 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,0,0,0,0,0|4,0,0]=4 77 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,0,0,0,0,0|2,0,0]=2 78 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,0,0,0,0,0|2,0,0]=2 79 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,0,0,0,0,0|2,0,0]=2 80 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,0,0,0,0,0|2,0,0]=2 81 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,0,0,0,0,0|1,0,0]=1 82 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,0,0,0,0,0|1,0,1]=2 83 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,0,0,0,0,0|3,0,1]=4 84 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,0,0,0,0,0|3,0,1]=4 85 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,0,0,0,0,0|3,0,1]=4 86 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,0,0,0,0,0|3,0,1]=4 87 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,0,0,0,0,0|3,0,1]=4 88 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,0,0,0,0,0|3,0,1]=4 89 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,0,0,0,0,0|2,0,1]=3 90 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,0,0,0,0,0|2,0,1]=3 91 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,0,0,0,0,0|2,0,1]=3 92 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,0,0,0,0,0|2,0,1]=3 93 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,0,0,0,0,0|2,0,1]=3 94 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [0,0,0,0,0,0|3,0,1]=4 95 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [0,0,0,0,0,0|3,0,1]=4 96 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [0,0,0,0,0,0|3,0,1]=4 97 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [0,0,0,0,0,0|3,0,1]=4 98 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,0,0,0,0,0|2,0,1]=3 99 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,0,0,0,0,0|2,0,1]=3 100 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,0,0,0,0,0|2,0,1]=3 101 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [0,0,0,0,0,0|2,0,1]=3 102 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,0,0,0,0,0|3,0,0]=3 103 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,0,0,0,0,0|2,0,0]=2 104 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,0,0,0,0,0|2,0,0]=2 105 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,0,0,0,0,0|2,0,0]=2 106 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,0,0,0,0,0|2,0,0]=2 107 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,0,0,0,0,0|1,0,1]=2 108 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,0,0,0,0,0|3,0,1]=4 109 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,0,0,0,0,0|3,0,1]=4 110 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,0,0,0,0,0|3,0,1]=4 111 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,0,0,0,0,0|3,0,1]=4 112 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,0,0,0,0,0|2,0,1]=3 113 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [0,0,0,0,0,0|3,0,1]=4 114 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [0,0,0,0,0,0|3,0,1]=4 115 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,0,0,0,0,0|4,0,0]=4 116 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,0,0,0,0,0|4,0,0]=4 117 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,0,0,0,0,0|3,0,1]=4 118 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,0,0,0,0,0|3,0,1]=4 119 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,0,0,0,0,0|2,0,1]=3 120 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,0,0,0,0,0|2,0,1]=3 121 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,0,0,0,0,0|2,0,0]=2 122 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,0,0,0,0,0|2,0,0]=2 123 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,0,0,0,0,0|2,0,0]=2 124 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,0,0,0,0,0|2,0,0]=2 125 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,0,0,0,0,0|1,0,1]=2 126 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,0,0,0,0,0|1,0,1]=2 127 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,0,0,0,0,0|3,0,1]=4 128 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,0,0,0,0,0|3,0,1]=4 129 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,0,0,0,0,0|2,0,1]=3 130 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,0,0,0,0,0|2,0,1]=3 131 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [0,0,0,0,0,0|3,0,1]=4 132 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [0,0,0,0,0,0|3,0,1]=4 133 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,0,0,0,0,0|4,0,0]=4 134 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,0,0,0,0,0|4,0,0]=4 135 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,0,0,0,0,0|2,0,1]=3 136 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,0,0,0,0,0|2,0,1]=3 137 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [0,0,0,0,0,0|2,0,1]=3 138 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,0,0,0,0,0|3,0,1]=4 139 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,0,0,0,0,0|3,0,1]=4 140 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,0,0,0,0,0|2,0,1]=3 141 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,0,0,0,0,0|2,0,1]=3 142 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,0,0,0,0,0|2,0,2]=4 143 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,0,0,0,0,0|2,0,2]=4 144 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,0,0,0,0,0|2,0,2]=4 145 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,0,0,0,0,0|2,0,1]=3 146 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,0,0,0,0,0|2,0,0]=2 147 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,0,0,0,0,0|2,0,0]=2 148 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,0,0,0,0,0|1,0,0]=1 149 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [0,0,0,0,0,0|3,0,1]=4 150 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [0,0,0,0,0,0|3,0,1]=4 151 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,0,0,0,0,0|2,0,0]=2 152 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,0,0,0,0,0|2,0,0]=2 153 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,0,0,0,0,0|1,0,1]=2 154 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,0,0,0,0,0|1,0,1]=2 155 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [0,0,0,0,0,0|3,0,1]=4 156 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [0,0,0,0,0,0|3,0,1]=4 157 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [0,0,0,0,0,0|2,0,1]=3 158 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,0,0,0,0,0|1,0,2]=4 159 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,0,0,0,0,0|1,0,2]=4 160 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|1,0,2]=4 161 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|1,0,2]=4 162 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|2,0,0]=3 163 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|2,0,0]=3 164 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|1,0,0]=2 165 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|1,0,0]=2 166 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|1,0,0]=2 167 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|3,0,0]=4 168 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|3,0,0]=4 169 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|3,0,0]=4 170 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|3,0,0]=4 171 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|3,0,0]=4 172 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|3,0,0]=4 173 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|2,0,0]=3 174 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|2,0,0]=3 175 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|2,0,0]=3 176 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|2,0,0]=3 177 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|2,0,0]=3 178 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.2 C#CCNC 34a_100000212058_200000210301 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.2 C#CCNC 34a_100102657272_100000184674 [1,0,0,0,0,0|2,0,1]=4 181 B4R0.2 C#CCNC 7a_106832991635_100000038162 [1,0,0,0,0,0|2,0,1]=4 182 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [1,0,0,0,0,0|2,0,1]=4 183 B4R0.2 C#CCOC 34a_100000210247_200000210301 [1,0,0,0,0,0|2,0,1]=4 184 B4R0.2 C#CCOC 34a_100138415774_100000184674 [1,0,0,0,0,0|2,0,1]=4 185 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [1,0,0,0,0,0|2,0,1]=4 186 B4R0.2 C#CCSC 62a_100000038162_200000210301 [1,0,0,0,0,0|2,0,1]=4 187 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [1,0,0,0,0,0|2,0,1]=4 188 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|2,0,0]=3 189 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|2,0,0]=3 190 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|2,0,0]=3 191 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|2,0,0]=3 192 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|2,0,0]=3 193 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|2,0,0]=3 194 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|2,0,0]=3 195 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|2,0,0]=3 196 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|2,0,0]=3 197 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|2,0,0]=3 198 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|2,0,0]=3 199 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|2,0,0]=3 200 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|2,0,0]=3 201 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|2,0,0]=3 202 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|2,0,0]=3 203 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|2,0,0]=3 204 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|2,0,0]=3 205 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|2,0,0]=3 206 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|2,0,0]=3 207 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|2,0,0]=3 208 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|2,0,0]=3 209 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|2,0,0]=3 210 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|2,0,1]=4 211 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|2,0,1]=4 212 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,0,0,0,0|2,0,1]=4 213 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|2,0,1]=4 214 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,0,0,0,0|2,0,1]=4 215 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,0,0,0,0|2,0,1]=4 216 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [1,0,0,0,0,0|2,0,1]=4 217 B4R0.2 CNCC#N 7a_106832991635_100011215382 [1,0,0,0,0,0|2,0,1]=4 218 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|1,0,0]=2 219 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|1,0,0]=2 220 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|1,0,0]=2 221 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,0,0,0,0|2,0,1]=4 222 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,0,0,0,0|2,0,1]=4 223 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,0,0,0,0|2,0,1]=4 224 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,0,0,0,0|2,0,1]=4 225 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,0,0,0,0|1,0,1]=3 226 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,0,0,0,0|1,0,1]=3 227 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,0,0,0,0|1,0,1]=3 228 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,0,0,0,0|1,0,1]=3 229 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,0,0,0,0|1,0,1]=3 230 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,0,0,0,0,0|3,0,0]=4 231 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,0,0,0,0,0|3,0,0]=4 232 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,0,0,0,0,0|3,0,0]=4 233 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|1,0,0]=2 234 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,0,0,0,0|2,0,1]=4 235 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,0,0,0,0|2,0,1]=4 236 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|2,0,1]=4 237 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|1,0,1]=3 238 B4R0.2 COCSC 34a_100138415774_100011218213 [1,0,0,0,0,0|3,0,0]=4 239 B4R0.2 COCSC 62a_100000766300_200000210301 [1,0,0,0,0,0|3,0,0]=4 240 B4R0.2 COCSC 62a_200000210301_100000766300 [1,0,0,0,0,0|3,0,0]=4 241 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,0,0,0,0,0|3,0,0]=4 242 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,0,0,0,0,0|3,0,0]=4 243 B4R0.2 CSCC#N 62a_100011215382_200000210301 [1,0,0,0,0,0|2,0,1]=4 244 B4R0.2 CSCC#N 62a_200000210301_100011215382 [1,0,0,0,0,0|2,0,1]=4 245 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|1,0,0]=2 246 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|1,0,0]=2 247 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,0,0,0,0|2,0,1]=4 248 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,0,0,0,0|2,0,1]=4 249 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,0,0,0,0|1,0,1]=3 250 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,0,0,0,0|1,0,1]=3 251 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,0,0,0,0,0|3,0,0]=4 252 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,0,0,0,0,0|3,0,0]=4 253 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,0,0,0,0,0|3,0,0]=4 254 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,0,0,0,0,0|3,0,0]=4 255 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,0,0,0,0|2,0,1]=4 256 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,0,0,0,0|1,0,1]=3 257 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,0,0,0,0|1,0,1]=3 258 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,0,0,0,0|2,0,1]=4 259 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|2,0,1]=4 260 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [1,0,0,0,0,0|2,0,1]=4 261 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [1,0,0,0,0,0|2,0,1]=4 262 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|1,0,0]=2 263 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|1,0,0]=2 264 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,0,0,0,0|2,0,1]=4 265 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,0,0,0,0|2,0,1]=4 266 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,0,0,0,0|1,0,1]=3 267 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,0,0,0,0|1,0,1]=3 268 B6R0.1 C#CC(=O)CC#N 1458a_100000211873_100011214920 [0,1,0,0,0,0|2,0,1]=4 269 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [0,1,0,0,0,0|1,0,2]=4 270 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,1,0,0,0,0|1,0,0]=2 271 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,1,0,0,0,0|2,0,0]=3 272 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.1 C#CCC(=O)C#C 1458a_100000211873_100000184674 [0,1,0,0,0,0|1,0,2]=4 274 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [0,1,0,0,0,0|1,0,2]=4 275 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,1,0,0,0,0|1,0,2]=4 276 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,1,0,0,0,0|1,0,2]=4 277 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,1,0,0,0,0|1,0,2]=4 278 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,1,0,0,0,0|0,0,2]=3 279 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,1,0,0,0,0|1,0,2]=4 280 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,1,0,0,0,0|1,0,2]=4 281 B6R0.1 C=C(C#N)CNC 2230a_106832991635_100000694840 [0,1,0,0,0,0|3,0,0]=4 282 B6R0.1 C=C(C#N)CNC 34a_100102657272_100000694840 [0,1,0,0,0,0|3,0,0]=4 283 B6R0.1 C=C(C#N)COC 34a_100138415774_100000694840 [0,1,0,0,0,0|3,0,0]=4 284 B6R0.1 C=C(C#N)CSC 62a_200000210301_100000694840 [0,1,0,0,0,0|3,0,0]=4 285 B6R0.1 C=C(C#N)CS[13CH3] 62a_200025704644_100000694840 [0,1,0,0,0,0|3,0,0]=4 286 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [0,1,0,0,0,0|2,0,1]=4 287 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,1,0,0,0,0|1,0,0]=2 288 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,1,0,0,0,0|2,0,0]=3 289 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,1,0,0,0,0|2,0,0]=3 290 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,1,0,0,0,0|2,0,0]=3 291 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,1,0,0,0,0|3,0,0]=4 292 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,1,0,0,0,0|2,0,1]=4 293 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,1,0,0,0,0|2,0,1]=4 294 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,1,0,0,0,0|2,0,1]=4 295 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,1,0,0,0,0|2,0,1]=4 296 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,1,0,0,0,0|2,0,1]=4 297 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,1,0,0,0,0|2,0,1]=4 298 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,1,0,0,0,0|2,0,1]=4 300 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,1,0,0,0,0|1,0,2]=4 301 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,1,0,0,0,0|1,0,2]=4 302 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,1,0,0,0,0|1,0,2]=4 303 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,1,0,0,0,0|1,0,2]=4 304 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,1,0,0,0,0|0,0,2]=3 305 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,1,0,0,0,0|1,0,2]=4 306 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,1,0,0,0,0|1,0,2]=4 307 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,1,0,0,0,0|1,0,2]=4 308 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,1,0,0,0,0|1,0,2]=4 309 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,1,0,0,0,0|1,0,2]=4 310 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,1,0,0,0,0|1,0,2]=4 311 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,1,0,0,0,0|2,0,1]=4 312 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|2,0,1]=4 313 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,1,0,0,0,0|1,0,2]=4 314 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,1,0,0,0,0|1,0,2]=4 315 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,1,0,0,0,0|1,0,2]=4 316 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,1,0,0,0,0|1,0,2]=4 317 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,1,0,0,0,0|1,0,2]=4 318 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,1,0,0,0,0|2,0,1]=4 319 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,1,0,0,0,0|2,0,1]=4 320 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,1,0,0,0,0|2,0,0]=3 321 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,1,0,0,0,0|2,0,0]=3 322 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,1,0,0,0,0|2,0,0]=3 323 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,1,0,0,0,0|2,0,0]=3 324 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,1,0,0,0,0|2,0,0]=3 325 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,1,0,0,0,0|2,0,0]=3 326 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,1,0,0,0,0|2,0,0]=3 327 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,1,0,0,0,0|2,0,0]=3 328 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,1,0,0,0,0|2,0,0]=3 329 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,1,0,0,0,0|2,0,0]=3 330 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,1,0,0,0,0|2,0,0]=3 331 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,1,0,0,0,0|2,0,0]=3 332 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,1,0,0,0,0|3,0,0]=4 333 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,1,0,0,0,0|2,0,1]=4 334 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,1,0,0,0,0|2,0,1]=4 335 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,1,0,0,0,0|2,0,1]=4 336 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,1,0,0,0,0|2,0,1]=4 337 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,1,0,0,0,0|2,0,1]=4 338 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,1,0,0,0,0|2,0,1]=4 339 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,1,0,0,0,0|2,0,1]=4 340 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,1,0,0,0,0|2,0,1]=4 341 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,1,0,0,0,0|2,0,1]=4 342 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,1,0,0,0,0|2,0,1]=4 343 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,0,0,0,0|1,0,0]=2 344 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,0,0,0,0|1,0,0]=2 345 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,1,0,0,0,0|1,0,0]=2 346 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,0,0,0,0|0,0,0]=1 347 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,0,0,0,0|1,0,0]=2 348 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,0,0,0,0|1,0,0]=2 349 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,0,0,0,0|1,0,0]=2 350 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,0,0,0,0|1,0,0]=2 351 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,1,0,0,0,0|2,0,1]=4 352 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,1,0,0,0,0|2,0,1]=4 353 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,1,0,0,0,0|2,0,1]=4 354 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,1,0,0,0,0|2,0,1]=4 355 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,1,0,0,0,0|2,0,1]=4 356 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,1,0,0,0,0|2,0,1]=4 357 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,1,0,0,0,0|1,0,1]=3 358 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,1,0,0,0,0|1,0,1]=3 359 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,1,0,0,0,0|1,0,1]=3 360 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,1,0,0,0,0|1,0,1]=3 361 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,1,0,0,0,0|1,0,1]=3 362 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,1,0,0,0,0|1,1,1]=4 363 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,1,0,0,0,0|1,1,1]=4 364 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,1,0,0,0,0|1,1,1]=4 365 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,1,0,0,0,0|1,1,1]=4 366 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,1,0,0,0,0|3,0,0]=4 367 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,1,0,0,0,0|3,0,0]=4 368 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,1,0,0,0,0|3,0,0]=4 369 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,1,0,0,0,0|3,0,0]=4 370 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,1,0,0,0,0|3,0,0]=4 371 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,1,0,0,0,0|3,0,0]=4 372 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,1,0,0,0,0|3,0,0]=4 373 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,1,0,0,0,0|3,0,0]=4 374 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,1,0,0,0,0|3,0,0]=4 375 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,1,0,0,0,0|2,0,0]=3 376 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,1,0,0,0,0|2,0,0]=3 377 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,1,0,0,0,0|2,0,0]=3 378 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,1,0,0,0,0|1,0,0]=2 379 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,1,0,0,0,0|1,0,0]=2 380 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,1,0,0,0,0|2,0,0]=3 381 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,1,0,0,0,0|2,0,0]=3 382 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,1,0,0,0,0|2,0,0]=3 383 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,1,0,0,0,0|2,0,0]=3 384 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,1,0,0,0,0|2,0,0]=3 385 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,1,0,0,0,0|2,0,0]=3 386 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,1,0,0,0,0|2,0,1]=4 387 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,1,0,0,0,0|2,0,1]=4 388 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,1,0,0,0,0|2,0,1]=4 389 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,1,0,0,0,0|2,0,1]=4 390 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,1,0,0,0,0|2,0,1]=4 391 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,1,0,0,0,0|2,0,1]=4 392 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,1,0,0,0,0|2,0,1]=4 393 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,1,0,0,0,0|2,0,1]=4 394 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,1,0,0,0,0|2,0,1]=4 395 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,1,0,0,0,0|2,0,1]=4 396 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,1,0,0,0,0|2,0,0]=3 397 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,1,0,0,0,0|2,0,0]=3 398 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,1,0,0,0,0|2,0,0]=3 399 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,1,0,0,0,0|2,0,0]=3 400 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,1,0,0,0,0|2,0,0]=3 401 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,1,0,0,0,0|2,0,0]=3 402 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,1,0,0,0,0|2,0,0]=3 403 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,1,0,0,0,0|2,0,0]=3 404 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,1,0,0,0,0|2,0,0]=3 405 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,1,0,0,0,0|2,0,0]=3 406 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,1,0,0,0,0|2,0,0]=3 407 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,1,0,0,0,0|2,0,0]=3 408 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,1,0,0,0,0|2,0,0]=3 409 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,1,0,0,0,0|2,0,0]=3 410 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,1,0,0,0,0|2,0,0]=3 411 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,1,0,0,0,0|2,0,0]=3 412 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,1,0,0,0,0|2,0,0]=3 413 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,1,0,0,0,0|2,0,0]=3 414 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,1,0,0,0,0|2,0,0]=3 415 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,1,0,0,0,0|2,0,0]=3 416 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,1,0,0,0,0|2,0,0]=3 417 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,1,0,0,0,0|1,0,0]=2 418 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,1,0,0,0,0|1,0,0]=2 419 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,1,0,0,0,0|1,0,0]=2 420 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,1,0,0,0,0|2,0,1]=4 421 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,1,0,0,0,0|1,0,2]=4 422 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,1,0,0,0,0|1,0,2]=4 423 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,1,0,0,0,0|1,0,2]=4 424 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,1,0,0,0,0|2,0,1]=4 425 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,1,0,0,0,0|2,0,1]=4 426 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,1,0,0,0,0|2,0,1]=4 427 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,1,0,0,0,0|2,0,1]=4 428 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,1,0,0,0,0|2,0,1]=4 429 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,1,0,0,0,0|2,0,1]=4 430 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,1,0,0,0,0|2,0,1]=4 431 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,1,0,0,0,0|2,0,1]=4 432 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,1,0,0,0,0|1,0,2]=4 433 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,1,0,0,0,0|1,0,2]=4 434 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,1,0,0,0,0|1,0,2]=4 435 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,1,0,0,0,0|1,0,2]=4 436 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,1,0,0,0,0|2,0,0]=3 437 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,1,0,0,0,0|3,0,0]=4 438 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,1,0,0,0,0|3,0,0]=4 439 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,1,0,0,0,0|3,0,0]=4 440 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,1,0,0,0,0|1,0,0]=2 441 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,1,0,0,0,0|1,0,0]=2 442 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,1,0,0,0,0|1,0,0]=2 443 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,1,0,0,0,0|1,0,0]=2 444 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,1,0,0,0,0|2,0,1]=4 445 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,1,0,0,0,0|2,0,1]=4 446 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,1,0,0,0,0|2,0,1]=4 447 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,1,0,0,0,0|2,0,0]=3 448 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,1,0,0,0,0|1,0,0]=2 449 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,1,0,0,0,0|2,0,1]=4 450 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,1,0,0,0,0|2,0,1]=4 451 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,1,0,0,0,0|1,0,2]=4 452 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,1,0,0,0,0|2,0,1]=4 453 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,1,0,0,0,0|2,0,1]=4 454 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,1,0,0,0,0|2,0,1]=4 455 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,1,0,0,0,0|2,0,1]=4 456 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,1,0,0,0,0|1,0,2]=4 457 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,1,0,0,0,0|2,0,1]=4 458 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,1,0,0,0,0|2,0,0]=3 459 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,1,0,0,0,0|1,0,2]=4 460 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,1,0,0,0,0|1,0,2]=4 461 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,1,0,0,0,0|2,0,1]=4 462 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,1,0,0,0,0|2,0,1]=4 463 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,1,0,0,0,0|2,0,1]=4 464 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,1,0,0,0,0|2,0,1]=4 465 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,1,0,0,0,0|1,0,2]=4 466 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,1,0,0,0,0|1,0,2]=4 467 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,1,0,0,0,0|2,0,1]=4 468 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,1,0,0,0,0|2,0,1]=4 469 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,1,0,0,0,0|2,0,1]=4 470 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,1,0,0,0,0|1,0,1]=3 471 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,1,0,0,0,0|2,0,0]=3 472 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,1,0,0,0,0|1,0,0]=2 473 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,1,0,0,0,0|1,0,0]=2 474 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,1,0,0,0,0|2,0,1]=4 475 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,1,0,0,0,0|1,0,2]=4 476 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,1,0,0,0,0|1,0,2]=4 477 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,1,0,0,0,0|1,0,2]=4 478 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,1,0,0,0,0|2,0,1]=4 479 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,1,0,0,0,0|2,0,1]=4 480 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,1,0,0,0,0|1,0,2]=4 481 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,1,0,0,0,0|1,0,2]=4 482 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,1,0,0,0,0|1,0,1]=3 483 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,1,0,0,0,0|3,0,0]=4 484 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,1,0,0,0,0|3,0,0]=4 485 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,1,0,0,0,0|3,0,0]=4 486 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,1,0,0,0,0|3,0,0]=4 487 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,1,0,0,0,0|3,0,0]=4 488 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,1,0,0,0,0|3,0,0]=4 489 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,1,0,0,0,0|1,0,2]=4 490 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,1,0,0,0,0|3,0,0]=4 491 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,1,0,0,0,0|3,0,0]=4 492 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,1,0,0,0,0|1,0,2]=4 493 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,1,0,0,0,0|1,0,2]=4 494 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,1,0,0,0,0|1,0,2]=4 495 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,1,0,0,0,0|1,0,2]=4 496 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,1,0,0,0,0|1,0,2]=4 497 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,1,0,0,0,0|1,0,2]=4 498 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,1,0,0,0,0|1,0,1]=3 499 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,1,0,0,0,0|1,0,1]=3 500 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,1,0,0,0,0|0,0,2]=3 501 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,1,0,0,0,0|1,0,0]=2 502 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,1,0,0,0,0|1,0,0]=2 503 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,1,0,0,0,0|1,0,0]=2 504 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,1,0,0,0,0|2,0,0]=3 505 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,1,0,0,0,0|2,0,0]=3 506 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,1,0,0,0,0|1,0,0]=2 507 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,1,0,0,0,0|1,0,2]=4 508 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,1,0,0,0,0|2,0,0]=3 509 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,1,0,0,0,0|2,0,0]=3 510 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,1,0,0,0,0|2,0,0]=3 511 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,1,0,0,0,0|2,0,0]=3 512 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,1,0,0,0,0|2,0,0]=3 513 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,1,0,0,0,0|1,0,0]=2 514 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,1,0,0,0,0|3,0,0]=4 515 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,1,0,0,0,0|3,0,0]=4 516 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,1,0,0,0,0|3,0,0]=4 517 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,1,0,0,0,0|3,0,0]=4 518 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,1,0,0,0,0|3,0,0]=4 519 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,1,0,0,0,0|3,0,0]=4 520 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,1,0,0,0,0|3,0,0]=4 521 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,1,0,0,0,0|2,0,1]=4 522 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,1,0,0,0,0|2,0,1]=4 523 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,1,0,0,0,0|2,0,1]=4 524 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,1,0,0,0,0|2,0,1]=4 525 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,1,0,0,0,0|2,0,1]=4 526 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,1,0,0,0,0|2,0,1]=4 527 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,1,0,0,0,0|2,0,0]=3 528 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,1,0,0,0,0|2,0,0]=3 529 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,1,0,0,0,0|2,0,0]=3 530 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,1,0,0,0,0|1,0,0]=2 531 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,1,0,0,0,0|2,0,0]=3 532 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,1,0,0,0,0|1,0,1]=3 533 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [0,1,0,0,0,0|2,0,1]=4 534 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,1,0,0,0,0|2,0,0]=3 535 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,1,0,0,0,0|1,0,0]=2 536 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,1,0,0,0,0|1,0,0]=2 537 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,1,0,0,0,0|2,0,1]=4 538 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,1,0,0,0,0|2,0,1]=4 539 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,1,0,0,0,0|2,0,0]=3 540 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,1,0,0,0,0|1,0,1]=3 541 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,1,0,0,0,0|1,0,2]=4 542 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,1,0,0,0,0|1,0,2]=4 543 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,1,0,0,0,0|1,0,2]=4 544 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,1,0,0,0,0|2,0,1]=4 545 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,1,0,0,0,0|3,0,0]=4 546 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,1,0,0,0,0|1,0,2]=4 547 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,1,0,0,0,0|1,0,2]=4 548 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,1,0,0,0,0|2,0,1]=4 549 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,1,0,0,0,0|2,0,1]=4 550 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,1,0,0,0,0|2,0,0]=3 551 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,1,0,0,0,0|2,0,0]=3 552 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,1,0,0,0,0|2,0,0]=3 553 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,1,0,0,0,0|2,0,0]=3 554 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,1,0,0,0,0|2,0,1]=4 555 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,1,0,0,0,0|2,0,0]=3 556 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,1,0,0,0,0|2,0,0]=3 557 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,1,0,0,0,0|0,0,3]=4 558 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,1,0,0,0,0|1,0,2]=4 559 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,1,0,0,0,0|1,0,2]=4 560 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,0,0,0,0|1,0,0]=2 561 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,0,0,0,0|1,0,0]=2 562 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,0,0,0,0|1,0,0]=2 563 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,1,0,0,0,0|3,0,0]=4 564 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,1,0,0,0,0|3,0,0]=4 565 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,1,0,0,0,0|3,0,0]=4 566 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,1,0,0,0,0|3,0,0]=4 567 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,1,0,0,0,0|3,0,0]=4 568 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,1,0,0,0,0|3,0,0]=4 569 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|1,0,0]=2 570 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|1,0,0]=2 571 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,1,0,0,0,0|2,0,0]=3 572 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,1,0,0,0,0|2,0,0]=3 573 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,1,0,0,0,0|2,0,0]=3 574 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,1,0,0,0,0|2,0,0]=3 575 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,1,0,0,0,0|2,0,1]=4 576 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,1,0,0,0,0|2,0,1]=4 577 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,1,0,0,0,0|2,0,1]=4 578 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,1,0,0,0,0|2,0,0]=3 579 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,1,0,0,0,0|2,0,0]=3 580 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,1,0,0,0,0|2,0,0]=3 581 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,1,0,0,0,0|2,0,0]=3 582 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,1,0,0,0,0|2,0,0]=3 583 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,1,0,0,0,0|2,0,0]=3 584 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,1,0,0,0,0|2,0,0]=3 585 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,1,0,0,0,0|2,0,0]=3 586 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,1,0,0,0,0|1,0,1]=3 587 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,1,0,0,0,0|1,0,0]=2 588 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,1,0,0,0,0|2,0,0]=3 589 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,1,0,0,0,0|2,0,0]=3 590 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,1,0,0,0,0|2,0,0]=3 591 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,1,0,0,0,0|2,0,0]=3 592 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,1,0,0,0,0|2,0,0]=3 593 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,1,0,0,0,0|2,0,0]=3 594 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,1,0,0,0,0|2,0,0]=3 595 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,1,0,0,0,0|1,0,1]=3 596 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,1,0,0,0,0|1,0,1]=3 597 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,1,0,0,0,0|2,0,0]=3 598 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,1,0,0,0,0|2,0,0]=3 599 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,1,0,0,0,0|2,0,0]=3 600 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,1,0,0,0,0|2,0,0]=3 601 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,1,0,0,0,0|2,0,0]=3 602 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,1,0,0,0,0|2,0,0]=3 603 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,1,0,0,0,0|2,0,0]=3 604 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,1,0,0,0,0|2,0,0]=3 605 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,1,0,0,0,0|2,0,0]=3 606 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,1,0,0,0,0|2,0,0]=3 607 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,1,0,0,0,0|1,0,1]=3 608 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,1,0,0,0,0|1,0,1]=3 609 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,1,0,0,0,0|2,0,0]=3 610 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,1,0,0,0,0|2,0,0]=3 611 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,1,0,0,0,0|2,0,0]=3 612 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,1,0,0,0,0|2,0,0]=3 613 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,1,0,0,0,0|1,0,0]=2 614 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,1,0,0,0,0|1,0,1]=3 615 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,1,0,0,0,0|2,0,0]=3 616 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,1,0,0,0,0|2,0,0]=3 617 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,1,0,0,0,0|2,0,0]=3 618 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,1,0,0,0,0|1,0,1]=3 619 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,1,0,0,0,0|1,0,1]=3 620 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,1,0,0,0,0|1,0,1]=3 621 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,1,0,0,0,0|1,0,1]=3 622 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,1,0,0,0,0|1,0,1]=3 623 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,1,0,0,0,0|1,0,2]=4 624 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,1,0,0,0,0|1,0,2]=4 625 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,1,0,0,0,0|1,0,2]=4 626 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,1,0,0,0,0|1,0,2]=4 627 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,1,0,0,0,0|1,0,1]=3 628 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,1,0,0,0,0|2,0,0]=3 629 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,1,0,0,0,0|2,0,0]=3 630 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,1,0,0,0,0|2,0,0]=3 631 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,1,0,0,0,0|2,0,0]=3 632 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,1,0,0,0,0|2,0,0]=3 633 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,1,0,0,0,0|2,0,0]=3 634 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,1,0,0,0,0|2,0,0]=3 635 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,1,0,0,0,0|2,0,0]=3 636 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,1,0,0,0,0|2,0,0]=3 637 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,1,0,0,0,0|2,0,0]=3 638 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,1,0,0,0,0|2,0,0]=3 639 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,1,0,0,0,0|2,0,0]=3 640 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,1,0,0,0,0|2,0,0]=3 641 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,1,0,0,0,0|2,0,0]=3 642 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,1,0,0,0,0|2,0,0]=3 643 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,1,0,0,0,0|3,0,0]=4 644 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,1,0,0,0,0|2,0,0]=3 645 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,1,0,0,0,0|2,0,0]=3 646 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,1,0,0,0,0|3,0,0]=4 647 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,1,0,0,0,0|3,0,0]=4 648 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [0,1,0,0,0,0|2,0,0]=3 649 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,1,0,0,0,0|2,0,0]=3 650 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,1,0,0,0,0|2,0,0]=3 651 B6R0.4 C=C(F)COCF 34a_200010262243_100015361967 [0,1,0,0,0,0|3,0,0]=4 652 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,1,0,0,0,0|2,0,0]=3 653 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,1,0,0,0,0|2,0,0]=3 654 B6R0.4 C=C(F)CSCF 62a_100000042424_100015361967 [0,1,0,0,0,0|3,0,0]=4 655 B6R0.4 C=C(F)CSCF 62a_100015361967_100000042424 [0,1,0,0,0,0|3,0,0]=4 656 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,1,0,0,0,0|1,0,1]=3 657 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,1,0,0,0,0|1,0,1]=3 658 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,1,0,0,0,0|1,0,1]=3 659 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,1,0,0,0,0|1,0,2]=4 660 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,1,0,0,0,0|1,0,2]=4 661 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,1,0,0,0,0|1,0,2]=4 662 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,1,0,0,0,0|1,0,1]=3 663 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,1,0,0,0,0|2,0,1]=4 664 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,1,0,0,0,0|2,0,1]=4 665 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,1,0,0,0,0|2,0,1]=4 666 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,1,0,0,0,0|2,0,1]=4 667 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,1,0,0,0,0|1,0,2]=4 668 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,1,0,0,0,0|1,0,1]=3 669 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,1,0,0,0,0|1,0,1]=3 670 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,1,0,0,0,0|1,0,0]=2 671 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,1,0,0,0,0|1,0,0]=2 672 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,1,0,0,0,0|1,0,0]=2 673 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,1,0,0,0,0|1,0,0]=2 674 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,1,0,0,0,0|1,0,0]=2 675 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,1,0,0,0,0|1,0,0]=2 676 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,1,0,0,0,0|2,0,0]=3 677 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,1,0,0,0,0|2,0,1]=4 678 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,1,0,0,0,0|2,0,1]=4 679 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,1,0,0,0,0|2,0,0]=3 680 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,1,0,0,0,0|2,0,0]=3 681 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,1,0,0,0,0|2,0,0]=3 682 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,1,0,0,0,0|2,0,0]=3 683 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,1,0,0,0,0|2,0,0]=3 684 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,1,0,0,0,0|2,0,0]=3 685 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,1,0,0,0,0|2,0,0]=3 686 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,1,0,0,0,0|2,0,0]=3 687 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,1,0,0,0,0|2,0,1]=4 688 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,1,0,0,0,0|2,0,1]=4 689 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,1,0,0,0,0|2,0,1]=4 690 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,1,0,0,0,0|2,0,1]=4 691 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,1,0,0,0,0|2,0,1]=4 692 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,1,0,0,0,0|1,0,1]=3 693 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,1,0,0,0,0|1,0,1]=3 694 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,1,0,0,0,0|1,0,1]=3 695 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,1,0,0,0,0|2,0,1]=4 696 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,1,0,0,0,0|2,0,1]=4 697 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,1,0,0,0,0|2,0,1]=4 698 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,1,0,0,0,0|1,0,1]=3 699 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,1,0,0,0,0|1,0,1]=3 700 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,1,0,0,0,0|1,0,1]=3 701 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,1,0,0,0,0|2,0,1]=4 702 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,1,0,0,0,0|1,0,1]=3 703 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,1,0,0,0,0|1,0,1]=3 704 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,1,0,0,0,0|1,0,1]=3 705 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,1,0,0,0,0|1,0,1]=3 706 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,1,0,0,0,0|1,0,0]=2 707 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,1,0,0,0,0|1,0,0]=2 708 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,1,0,0,0,0|1,0,0]=2 709 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,1,0,0,0,0|3,0,0]=4 710 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,1,0,0,0,0|3,0,0]=4 711 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,1,0,0,0,0|3,0,0]=4 712 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,1,0,0,0,0|3,0,0]=4 713 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,1,0,0,0,0|3,0,0]=4 714 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,1,0,0,0,0|3,0,0]=4 715 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,1,0,0,0,0|1,0,0]=2 716 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,1,0,0,0,0|1,0,0]=2 717 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,1,0,0,0,0|1,0,0]=2 718 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,1,0,0,0,0|1,0,0]=2 719 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,1,0,0,0,0|2,0,1]=4 720 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,1,0,0,0,0|2,0,1]=4 721 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,1,0,0,0,0|2,0,1]=4 722 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,1,0,0,0,0|2,0,1]=4 723 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,1,0,0,0,0|2,0,1]=4 724 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,1,0,0,0,0|2,0,1]=4 725 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,1,0,0,0,0|1,0,0]=2 726 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,1,0,0,0,0|1,0,0]=2 727 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,1,0,0,0,0|0,0,0]=1 728 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,1,0,0,0,0|2,0,1]=4 729 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,1,0,0,0,0|2,0,1]=4 730 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,1,0,0,0,0|2,0,1]=4 731 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,1,0,0,0,0|2,0,1]=4 732 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,1,0,0,0,0|1,0,1]=3 733 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,1,0,0,0,0|1,0,1]=3 734 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,1,0,0,0,0|1,0,1]=3 735 B6R0.4 CCNCC(F)F 2230a_100015525214_100011934356 [0,1,0,0,0,0|2,0,1]=4 736 B6R0.4 CCNCC(F)F 34a_100000765723_100000210202 [0,1,0,0,0,0|2,0,1]=4 737 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,1,0,0,0,0|1,0,1]=3 738 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,1,0,0,0,0|2,0,0]=3 739 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,1,0,0,0,0|1,0,0]=2 740 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,1,0,0,0,0|1,0,0]=2 741 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,1,0,0,0,0|1,0,0]=2 742 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,1,0,0,0,0|1,0,0]=2 743 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,1,0,0,0,0|0,0,1]=2 744 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,1,0,0,0,0|2,0,1]=4 745 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,1,0,0,0,0|2,0,1]=4 746 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,1,0,0,0,0|2,0,1]=4 747 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,1,0,0,0,0|2,0,1]=4 748 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,1,0,0,0,0|1,0,1]=3 749 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [0,1,0,0,0,0|2,0,1]=4 750 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [0,1,0,0,0,0|2,0,1]=4 751 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,1,0,0,0,0|3,0,0]=4 752 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,1,0,0,0,0|2,0,1]=4 753 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,1,0,0,0,0|2,0,1]=4 754 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,1,0,0,0,0|1,0,1]=3 755 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [0,1,0,0,0,0|1,0,1]=3 756 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,1,0,0,0,0|1,0,0]=2 757 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,1,0,0,0,0|1,0,0]=2 758 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,1,0,0,0,0|1,0,0]=2 759 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,1,0,0,0,0|1,0,0]=2 760 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,1,0,0,0,0|0,0,1]=2 761 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,1,0,0,0,0|0,0,1]=2 762 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,1,0,0,0,0|2,0,1]=4 763 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,1,0,0,0,0|2,0,1]=4 764 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,1,0,0,0,0|1,0,1]=3 765 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,1,0,0,0,0|1,0,1]=3 766 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [0,1,0,0,0,0|2,0,1]=4 767 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [0,1,0,0,0,0|2,0,1]=4 768 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,1,0,0,0,0|1,0,1]=3 769 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,1,0,0,0,0|1,0,1]=3 770 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [0,1,0,0,0,0|1,0,1]=3 771 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,1,0,0,0,0|3,0,0]=4 772 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,1,0,0,0,0|3,0,0]=4 773 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,1,0,0,0,0|3,0,0]=4 774 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,1,0,0,0,0|3,0,0]=4 775 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,1,0,0,0,0|3,0,0]=4 776 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,1,0,0,0,0|3,0,0]=4 777 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,1,0,0,0,0|3,0,0]=4 778 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,1,0,0,0,0|3,0,0]=4 779 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,1,0,0,0,0|3,0,0]=4 780 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,1,0,0,0,0|2,0,1]=4 781 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,1,0,0,0,0|2,0,1]=4 782 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,1,0,0,0,0|2,0,1]=4 783 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,1,0,0,0,0|2,0,1]=4 784 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,1,0,0,0,0|1,0,0]=2 785 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,1,0,0,0,0|1,0,0]=2 786 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,1,0,0,0,0|1,0,0]=2 787 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,1,0,0,0,0|1,0,0]=2 788 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,1,0,0,0,0|2,0,1]=4 789 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,1,0,0,0,0|2,0,1]=4 790 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,1,0,0,0,0|2,0,1]=4 791 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,1,0,0,0,0|2,0,1]=4 792 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,1,0,0,0,0|1,0,1]=3 793 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,1,0,0,0,0|1,0,1]=3 794 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,1,0,0,0,0|1,0,1]=3 795 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,1,0,0,0,0|1,0,1]=3 796 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [0,1,0,0,0,0|3,0,0]=4 797 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,1,0,0,0,0|2,0,0]=3 798 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,1,0,0,0,0|1,0,0]=2 799 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,1,0,0,0,0|1,0,2]=4 800 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,1,0,0,0,0|1,0,2]=4 801 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,1,0,0,0,0|2,0,1]=4 802 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,1,0,0,0,0|2,0,1]=4 803 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,1,0,0,0,0|1,0,0]=2 804 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,1,0,0,0,0|1,0,0]=2 805 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,1,0,0,0,0|1,0,0]=2 806 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,1,0,0,0,0|1,0,0]=2 807 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,1,0,0,0,0|1,0,0]=2 808 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,1,0,0,0,0|1,0,0]=2 809 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,1,0,0,0,0|1,0,0]=2 810 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,1,0,0,0,0|1,0,0]=2 811 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,1,0,0,0,0|2,0,1]=4 812 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,1,0,0,0,0|2,0,1]=4 813 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,1,0,0,0,0|2,0,1]=4 814 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,1,0,0,0,0|2,0,1]=4 815 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,1,0,0,0,0|1,0,1]=3 816 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [0,1,0,0,0,0|2,0,1]=4 817 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,1,0,0,0,0|3,0,0]=4 818 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,1,0,0,0,0|3,0,0]=4 819 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,1,0,0,0,0|3,0,0]=4 820 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,1,0,0,0,0|3,0,0]=4 821 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,1,0,0,0,0|3,0,0]=4 822 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,1,0,0,0,0|3,0,0]=4 823 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,1,0,0,0,0|2,0,1]=4 824 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,1,0,0,0,0|2,0,0]=3 825 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,1,0,0,0,0|2,0,1]=4 826 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,1,0,0,0,0|2,0,1]=4 827 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,1,0,0,0,0|1,0,0]=2 828 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,1,0,0,0,0|1,0,0]=2 829 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,1,0,0,0,0|1,0,0]=2 830 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,1,0,0,0,0|1,0,0]=2 831 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,1,0,0,0,0|1,0,0]=2 832 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,1,0,0,0,0|1,0,0]=2 833 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,1,0,0,0,0|1,0,0]=2 834 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,1,0,0,0,0|2,0,1]=4 835 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,1,0,0,0,0|2,0,1]=4 836 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,1,0,0,0,0|1,0,1]=3 837 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,1,0,0,0,0|1,0,1]=3 838 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,1,0,0,0,0|3,0,0]=4 839 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,1,0,0,0,0|3,0,0]=4 840 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,1,0,0,0,0|3,0,0]=4 841 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,1,0,0,0,0|3,0,0]=4 842 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,1,0,0,0,0|3,0,0]=4 843 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,1,0,0,0,0|3,0,0]=4 844 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,1,0,0,0,0|3,0,0]=4 845 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,1,0,0,0,0|2,0,0]=3 846 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,1,0,0,0,0|2,0,0]=3 847 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|2,0,1]=4 848 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,1,0,0,0,0|2,0,1]=4 849 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,1,0,0,0,0|2,0,1]=4 850 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,1,0,0,0,0|2,0,0]=3 851 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,1,0,0,0,0|2,0,0]=3 852 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,1,0,0,0,0|1,0,0]=2 853 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,1,0,0,0,0|1,0,1]=3 854 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,1,0,0,0,0|1,0,1]=3 855 B6R0.4 O=[N+]([O-])CSCF 62a_100015361967_100000761209 [0,1,0,0,0,0|2,0,1]=4 856 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,1,0,0,0,0|1,0,2]=4 857 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,1,0,0,0,0|1,0,1]=3 858 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,1,0,0,0,0|1,0,0]=2 859 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,1,0,0,0,0|1,0,0]=2 860 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,1,0,0,0,0|1,0,0]=2 861 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [0,1,0,0,0,0|2,0,1]=4 862 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,1,0,0,0,0|1,0,0]=2 863 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,1,0,0,0,0|1,0,0]=2 864 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [0,1,0,0,0,0|2,0,1]=4 865 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [0,1,0,0,0,0|2,0,1]=4 866 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [0,1,0,0,0,0|2,0,1]=4 867 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [0,1,0,0,0,0|2,0,1]=4 868 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [0,1,0,0,0,0|2,0,1]=4 869 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [0,1,0,0,0,0|2,0,1]=4 870 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [0,1,0,0,0,0|2,0,1]=4 871 B6R0.5 CNCS(=O)(=O)[O-] 34a_100102657272_100009817235 [0,1,0,0,0,0|2,0,1]=4 872 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,1,0,0,0,0|2,0,1]=4 873 B6R0.5 COCS(=O)(=O)[O-] 34a_100138415774_100009817235 [0,1,0,0,0,0|2,0,1]=4 874 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [0,1,0,0,0,0|2,0,1]=4 875 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [0,1,0,0,0,0|2,0,1]=4 876 B6R0.5 CSCS(=O)(=O)N 62a_100000741382_200000210301 [0,1,0,0,0,0|2,0,1]=4 877 B6R0.5 CSCS(=O)(=O)N 62a_200000210301_100000741382 [0,1,0,0,0,0|2,0,1]=4 878 B6R0.5 CSCS(=O)(=O)[O-] 62a_100009817235_200000210301 [0,1,0,0,0,0|2,0,1]=4 879 B6R0.5 CSCS(=O)(=O)[O-] 62a_200000210301_100009817235 [0,1,0,0,0,0|2,0,1]=4 880 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_100000741382_200025704644 [0,1,0,0,0,0|2,0,1]=4 881 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_200025704644_100000741382 [0,1,0,0,0,0|2,0,1]=4 882 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_100009817235_200025704644 [0,1,0,0,0,0|2,0,1]=4 883 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_200025704644_100009817235 [0,1,0,0,0,0|2,0,1]=4 884 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,0,0,1,0,0|3,0,0]=4 885 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,0,0,1,0,0|3,0,0]=4 886 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,0,0,1,0,0|3,0,0]=4 887 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,0,0,1,0,0|3,0,0]=4 888 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [0,0,0,1,0,0|2,0,1]=4 889 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [0,0,0,1,0,0|2,0,1]=4 890 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [0,0,0,1,0,0|2,0,1]=4 891 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [0,0,0,1,0,0|2,0,1]=4 892 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [0,0,0,1,0,0|2,0,1]=4 893 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [0,0,0,1,0,0|2,0,1]=4 894 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [0,0,0,1,0,0|2,0,1]=4 895 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [0,0,0,1,0,0|2,0,1]=4 896 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [0,0,0,1,0,0|2,0,1]=4 897 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [0,0,0,1,0,0|2,0,1]=4 898 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [0,0,0,1,0,0|2,0,1]=4 899 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [0,0,0,1,0,0|2,0,1]=4 900 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [0,0,0,1,0,0|2,0,1]=4 901 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [0,0,0,1,0,0|2,0,1]=4 902 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [0,0,0,1,0,0|2,0,1]=4 903 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [0,0,0,1,0,0|3,0,0]=4 904 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [0,0,0,1,0,0|3,0,0]=4 905 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [0,0,0,1,0,0|3,0,0]=4 906 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [0,0,0,1,0,0|3,0,0]=4 907 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [0,0,0,1,0,0|3,0,0]=4 908 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [0,0,0,1,0,0|3,0,0]=4 909 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [0,0,0,1,0,0|2,0,1]=4 910 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [0,0,0,1,0,0|2,0,1]=4 911 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,1,0,0|1,0,0]=2 912 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,0,0,1,0,0|2,0,0]=3 913 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [0,0,0,1,0,0|3,0,0]=4 914 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [0,0,0,1,0,0|3,0,0]=4 915 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [0,0,0,1,0,0|3,0,0]=4 916 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [0,0,0,1,0,0|3,0,0]=4 917 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [0,0,0,1,0,0|3,0,0]=4 918 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,1,0,0|1,0,0]=2 919 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,0,0,1,0,0|2,0,0]=3 920 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,1]=4 921 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 922 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,1]=4 923 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 924 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,1]=4 925 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,1]=4 926 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,1]=4 927 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,1]=4 928 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,1]=4 929 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,1]=4 930 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,1]=4 931 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,1]=4 932 B3R0.1 CNCF 34a_100102657272_100015361967 [2,0,0,0,0,0|2,0,0]=4 933 B3R0.1 CNCF 7a_106832991635_100015361967 [2,0,0,0,0,0|2,0,0]=4 934 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|2,0,0]=4 935 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|2,0,0]=4 936 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|2,0,0]=4 937 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|2,0,0]=4 938 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|2,0,0]=4 939 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|1,0,0]=3 940 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|1,0,0]=3 941 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,1,0,0,0,0|1,0,0]=3 942 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [1,1,0,0,0,0|2,0,0]=4 943 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,1,0,0,0,0|1,0,0]=3 944 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,1,0,0,0,0|2,0,0]=4 945 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,1,0,0,0,0|2,0,0]=4 946 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,1,0,0,0,0|2,0,0]=4 947 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,1,0,0,0,0|1,0,0]=3 948 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,1,0,0,0,0|1,0,0]=3 949 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|0,0,0]=2 950 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,1,0,0,0,0|1,0,0]=3 951 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,1,0,0,0,0|1,0,0]=3 952 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,1,0,0,0,0|1,0,0]=3 953 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,1,0,0,0,0|1,0,0]=3 954 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,1,0,0,0,0|1,0,1]=4 955 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,1,0,0,0,0|1,0,1]=4 956 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,1,0,0,0,0|1,0,1]=4 957 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,1,0,0,0,0|1,0,0]=3 958 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,1,0,0,0,0|1,0,0]=3 959 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,1,0,0,0,0|2,0,0]=4 960 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,1,0,0,0,0|2,0,0]=4 961 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,1,0,0,0,0|2,0,0]=4 962 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,1,0,0,0,0|1,0,0]=3 963 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|1,0,1]=4 964 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|1,0,1]=4 965 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|1,0,0]=3 966 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|1,0,0]=3 967 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|1,0,0]=3 968 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|2,0,0]=4 969 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,1,0,0,0,0|2,0,0]=4 970 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,1,0,0,0,0|2,0,0]=4 971 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,1,0,0,0,0|2,0,0]=4 972 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,1,0,0,0,0|2,0,0]=4 973 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|1,0,0]=3 974 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|1,0,0]=3 975 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|1,0,0]=3 976 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|1,0,0]=3 977 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|1,0,0]=3 978 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|1,0,0]=3 979 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|2,0,0]=4 980 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [1,1,0,0,0,0|1,0,1]=4 981 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [1,1,0,0,0,0|1,0,1]=4 982 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [1,1,0,0,0,0|1,0,1]=4 983 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [1,1,0,0,0,0|1,0,1]=4 984 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [1,1,0,0,0,0|1,0,1]=4 985 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,1,0,0,0,0|1,0,1]=4 986 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,1,0,0,0,0|1,0,1]=4 987 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,1,0,0,0,0|1,0,1]=4 988 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [1,1,0,0,0,0|1,0,1]=4 989 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [1,1,0,0,0,0|1,0,1]=4 990 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [1,1,0,0,0,0|1,0,1]=4 991 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [1,1,0,0,0,0|1,0,1]=4 992 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [1,1,0,0,0,0|1,0,1]=4 993 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [1,1,0,0,0,0|1,0,1]=4 994 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,1,0,0,0,0|1,0,1]=4 995 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,1,0,0,0,0|1,0,1]=4 996 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [1,1,0,0,0,0|1,0,1]=4 997 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|1,0,1]=4 998 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|1,0,1]=4 999 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,1,0,0,0,0|1,0,1]=4 1000 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,1,0,0,0,0|1,0,1]=4 1001 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,1,0,0,0,0|1,0,1]=4 1002 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,1,0,0,0,0|1,0,1]=4 1003 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,1,0,0,0,0|1,0,1]=4 1004 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,1,0,0,0,0|1,0,1]=4 1005 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,1,0,0,0,0|1,0,1]=4 1006 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,1,0,0,0,0|1,0,0]=3 1007 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,1,0,0,0,0|1,0,0]=3 1008 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,1,0,0,0,0|1,0,0]=3 1009 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,1,0,0,0,0|1,0,0]=3 1010 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,1,0,0,0,0|1,0,0]=3 1011 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,1,0,0,0,0|1,0,0]=3 1012 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,1,0,0,0,0|1,0,0]=3 1013 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,1,0,0,0,0|1,0,0]=3 1014 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,1,0,0,0,0|1,0,0]=3 1015 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,1,0,0,0,0|1,0,0]=3 1016 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,1,0,0,0,0|1,0,0]=3 1017 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,1,0,0,0,0|1,0,0]=3 1018 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,1,0,0,0,0|1,0,0]=3 1019 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,1,0,0,0,0|1,0,0]=3 1020 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,1,0,0,0,0|1,0,0]=3 1021 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,1,0,0,0,0|1,0,0]=3 1022 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,1,0,0,0,0|2,0,0]=4 1023 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,1,0,0,0,0|1,0,0]=3 1024 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,1,0,0,0,0|1,0,0]=3 1025 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,1,0,0,0,0|2,0,0]=4 1026 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,1,0,0,0,0|2,0,0]=4 1027 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|1,0,1]=4 1028 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|1,0,1]=4 1029 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|1,0,1]=4 1030 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,1,0,0,0,0|1,0,1]=4 1031 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,1,0,0,0,0|1,0,1]=4 1032 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,1,0,0,0,0|1,0,1]=4 1033 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,1,0,0,0,0|1,0,1]=4 1034 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,1,0,0,0,0|1,0,1]=4 1035 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,1,0,0,0,0|2,0,0]=4 1036 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,1,0,0,0,0|1,0,1]=4 1037 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,1,0,0,0,0|1,0,1]=4 1038 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,1,0,0,0,0|1,0,1]=4 1039 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,1,0,0,0,0|1,0,1]=4 1040 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,1,0,0,0,0|1,0,1]=4 1041 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,1,0,0,0,0|1,0,1]=4 1042 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,1,0,0,0,0|1,0,1]=4 1043 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,1,0,0,0,0|0,0,1]=3 1044 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,1,0,0,0,0|0,0,1]=3 1045 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,1,0,0,0,0|0,0,1]=3 1046 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,1,0,0,0,0|0,0,1]=3 1047 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,1,0,0,0,0|0,0,1]=3 1048 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,1,0,0,0,0|0,1,1]=4 1049 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,1,0,0,0,0|0,1,1]=4 1050 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,1,0,0,0,0|0,1,1]=4 1051 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,1,0,0,0,0|0,1,1]=4 1052 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,1,0,0,0,0|1,0,1]=4 1053 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,1,0,0,0,0|1,0,1]=4 1054 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,1,0,0,0,0|1,0,1]=4 1055 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,1,0,0,0,0|1,0,1]=4 1056 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,1,0,0,0,0|1,0,1]=4 1057 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,1,0,0,0,0|1,0,1]=4 1058 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,1,0,0,0,0|1,0,1]=4 1059 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,1,0,0,0,0|1,0,1]=4 1060 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [1,1,0,0,0,0|1,0,1]=4 1061 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,1,0,0,0,0|0,0,0]=2 1062 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,1,0,0,0,0|1,0,1]=4 1063 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,1,0,0,0,0|1,0,1]=4 1064 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,1,0,0,0,0|0,0,1]=3 1065 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,1,0,0,0,0|0,0,1]=3 1066 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,1,0,0,0,0|0,0,1]=3 1067 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,1,0,0,0,0|1,0,1]=4 1068 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,1,0,0,0,0|2,0,0]=4 1069 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,1,0,0,0,0|0,0,0]=2 1070 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,1,0,0,0,0|1,0,1]=4 1071 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,1,0,0,0,0|1,0,1]=4 1072 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,1,0,0,0,0|1,0,1]=4 1073 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,1,0,0,0,0|0,0,1]=3 1074 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,1,0,0,0,0|2,0,0]=4 1075 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,1,0,0,0,0|2,0,0]=4 1076 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,1,0,0,0,0|2,0,0]=4 1077 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,1,0,0,0,0|2,0,0]=4 1078 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,1,0,0,0,0|2,0,0]=4 1079 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [1,1,0,0,0,0|1,0,1]=4 1080 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [1,1,0,0,0,0|1,0,1]=4 1081 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,1,0,0,0,0|0,0,0]=2 1082 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,1,0,0,0,0|0,0,0]=2 1083 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,1,0,0,0,0|1,0,1]=4 1084 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,1,0,0,0,0|1,0,1]=4 1085 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,1,0,0,0,0|0,0,1]=3 1086 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,1,0,0,0,0|0,0,1]=3 1087 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,1,0,0,0,0|1,0,1]=4 1088 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,1,0,0,0,0|1,0,1]=4 1089 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,1,0,0,0,0|2,0,0]=4 1090 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,1,0,0,0,0|2,0,0]=4 1091 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [1,1,0,0,0,0|1,0,1]=4 1092 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [1,1,0,0,0,0|1,0,1]=4 1093 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,1,0,0,0,0|1,0,1]=4 1094 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,1,0,0,0,0|1,0,1]=4 1095 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,1,0,0,0,0|1,0,1]=4 1096 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,1,0,0,0,0|1,0,1]=4 1097 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,1,0,0,0,0|1,0,1]=4 1098 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,1,0,0,0,0|0,0,1]=3 1099 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,1,0,0,0,0|0,0,1]=3 1100 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,1,0,0,0,0|0,0,1]=3 1101 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,1,0,0,0,0|1,0,1]=4 1102 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,1,0,0,0,0|1,0,1]=4 1103 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,1,0,0,0,0|1,0,1]=4 1104 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,1,0,0,0,0|1,0,1]=4 1105 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,1,0,0,0,0|2,0,0]=4 1106 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,1,0,0,0,0|2,0,0]=4 1107 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,1,0,0,0,0|2,0,0]=4 1108 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,1,0,0,0,0|2,0,0]=4 1109 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,1,0,0,0,0|1,0,1]=4 1110 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,1,0,0,0,0|1,0,1]=4 1111 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,1,0,0,0,0|1,0,1]=4 1112 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,1,0,0,0,0|1,0,1]=4 1113 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,1,0,0,0,0|1,0,1]=4 1114 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,1,0,0,0,0|0,0,1]=3 1115 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,1,0,0,0,0|1,0,1]=4 1116 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,1,0,0,0,0|1,0,1]=4 1117 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,1,0,0,0,0|1,0,1]=4 1118 B5R0.2 COCCON 34a_100000700252_200000210301 [1,1,0,0,0,0|1,0,1]=4 1119 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,1,0,0,0,0|1,0,1]=4 1120 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,1,0,0,0,0|1,0,1]=4 1121 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,1,0,0,0,0|1,0,1]=4 1122 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,1,0,0,0,0|1,0,1]=4 1123 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,1,0,0,0,0|1,0,1]=4 1124 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,1,0,0,0,0|1,0,1]=4 1125 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,1,0,0,0,0|1,0,1]=4 1126 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,1,0,0,0,0|1,0,1]=4 1127 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [1,1,0,0,0,0|1,0,1]=4 1128 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [1,1,0,0,0,0|1,0,1]=4 1129 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,1,0,0,0,0|1,0,1]=4 1130 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,1,0,0,0,0|1,0,1]=4 1131 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,1,0,0,0,0|0,0,1]=3 1132 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,1,0,0,0,0|0,0,1]=3 1133 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,1,0,0,0,0|2,0,0]=4 1134 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,1,0,0,0,0|1,0,1]=4 1135 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,1,0,0,0,0|1,0,1]=4 1136 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,1,0,0,0,0|2,0,0]=4 1137 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,1,0,0,0,0|2,0,0]=4 1138 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,1,0,0,0,0|2,0,0]=4 1139 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,1,0,0,0,0|2,0,0]=4 1140 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,1,0,0,0,0|1,0,0]=3 1141 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,1,0,0,0,0|1,0,0]=3 1142 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,1,0,0,0,0|1,0,1]=4 1143 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,1,0,0,0,0|1,0,1]=4 1144 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,1,0,0,0,0|1,0,1]=4 1145 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,1,0,0,0,0|1,0,1]=4 1146 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,1,0,0,0,0|1,0,1]=4 1147 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,1,0,0,0,0|1,0,1]=4 1148 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,1,0,0,0,0|1,0,1]=4 1149 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,1,0,0,0,0|1,0,1]=4 1150 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,1,0,0,0,0|1,0,1]=4 1151 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,1,0,0,0,0|1,0,1]=4 1152 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [1,1,0,0,0,0|1,0,1]=4 1153 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [1,1,0,0,0,0|1,0,1]=4 1154 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,1,0,0,0,0|1,0,1]=4 1155 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,1,0,0,0,0|1,0,1]=4 1156 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,1,0,0,0,0|0,0,1]=3 1157 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,1,0,0,0,0|0,0,1]=3 1158 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [0,2,0,0,0,0|1,0,1]=4 1159 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,2,0,0,0,0|1,0,0]=3 1160 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [0,2,0,0,0,0|1,0,0]=3 1161 B7R0.2 C#CC(=O)CC(F)F 1458a_100000211873_100011934356 [0,2,0,0,0,0|2,0,0]=4 1162 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,2,0,0,0,0|2,0,0]=4 1163 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,2,0,0,0,0|2,0,0]=4 1164 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,2,0,0,0,0|2,0,0]=4 1165 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,2,0,0,0,0|2,0,0]=4 1166 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,2,0,0,0,0|1,0,1]=4 1167 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,2,0,0,0,0|0,0,1]=3 1168 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,2,0,0,0,0|2,0,0]=4 1169 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,2,0,0,0,0|2,0,0]=4 1170 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,2,0,0,0,0|2,0,0]=4 1171 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,2,0,0,0,0|2,0,0]=4 1172 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,2,0,0,0,0|2,0,0]=4 1173 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,2,0,0,0,0|2,0,0]=4 1174 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,2,0,0,0,0|2,0,0]=4 1175 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,2,0,0,0,0|2,0,0]=4 1176 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,2,0,0,0,0|2,0,0]=4 1177 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,2,0,0,0,0|0,0,2]=4 1178 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [0,2,0,0,0,0|2,0,0]=4 1179 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [0,2,0,0,0,0|2,0,0]=4 1180 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,2,0,0,0,0|1,0,1]=4 1181 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,2,0,0,0,0|1,0,0]=3 1182 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,2,0,0,0,0|1,0,0]=3 1183 B7R0.2 C=CC(=O)CC(F)F 1458a_100000185746_100011934356 [0,2,0,0,0,0|2,0,0]=4 1184 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,2,0,0,0,0|2,0,0]=4 1185 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,2,0,0,0,0|2,0,0]=4 1186 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,2,0,0,0,0|1,0,0]=3 1187 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,2,0,0,0,0|1,0,0]=3 1188 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,2,0,0,0,0|1,0,0]=3 1189 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,2,0,0,0,0|2,0,0]=4 1190 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,2,0,0,0,0|2,0,0]=4 1191 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,2,0,0,0,0|2,0,0]=4 1192 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,2,0,0,0,0|2,0,0]=4 1193 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,2,0,0,0,0|2,0,0]=4 1194 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,2,0,0,0,0|2,0,0]=4 1195 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,2,0,0,0,0|2,0,0]=4 1196 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,2,0,0,0,0|2,0,0]=4 1197 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,2,0,0,0,0|2,0,0]=4 1198 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,2,0,0,0,0|2,0,0]=4 1199 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,2,0,0,0,0|2,0,0]=4 1200 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,2,0,0,0,0|1,0,0]=3 1201 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,2,0,0,0,0|0,0,0]=2 1202 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,2,0,0,0,0|1,0,1]=4 1203 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,2,0,0,0,0|1,0,1]=4 1204 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,2,0,0,0,0|1,0,0]=3 1205 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,2,0,0,0,0|1,0,0]=3 1206 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,2,0,0,0,0|0,0,0]=2 1207 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,2,0,0,0,0|1,0,1]=4 1208 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,2,0,0,0,0|1,0,1]=4 1209 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,2,0,0,0,0|1,0,0]=3 1210 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,2,0,0,0,0|1,0,0]=3 1211 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,2,0,0,0,0|1,0,0]=3 1212 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,2,0,0,0,0|0,0,1]=3 1213 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,2,0,0,0,0|1,0,0]=3 1214 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,2,0,0,0,0|1,0,0]=3 1215 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,2,0,0,0,0|1,0,0]=3 1216 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,2,0,0,0,0|2,0,0]=4 1217 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,2,0,0,0,0|2,0,0]=4 1218 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,2,0,0,0,0|2,0,0]=4 1219 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,2,0,0,0,0|1,0,0]=3 1220 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,2,0,0,0,0|1,0,1]=4 1221 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,2,0,0,0,0|2,0,0]=4 1222 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,2,0,0,0,0|2,0,0]=4 1223 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,2,0,0,0,0|2,0,0]=4 1224 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,2,0,0,0,0|2,0,0]=4 1225 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,2,0,0,0,0|2,0,0]=4 1226 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,2,0,0,0,0|1,0,0]=3 1227 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,2,0,0,0,0|1,0,0]=3 1228 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,2,0,0,0,0|1,0,0]=3 1229 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,2,0,0,0,0|1,0,0]=3 1230 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,2,0,0,0,0|1,0,0]=3 1231 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,2,0,0,0,0|1,0,0]=3 1232 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,2,0,0,0,0|1,0,0]=3 1233 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,2,0,0,0,0|1,0,0]=3 1234 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,2,0,0,0,0|1,0,0]=3 1235 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,2,0,0,0,0|1,0,0]=3 1236 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,2,0,0,0,0|1,0,0]=3 1237 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,2,0,0,0,0|1,0,0]=3 1238 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,2,0,0,0,0|1,0,0]=3 1239 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,2,0,0,0,0|1,0,0]=3 1240 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,2,0,0,0,0|0,0,0]=2 1241 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,2,0,0,0,0|0,0,0]=2 1242 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,2,0,0,0,0|1,0,0]=3 1243 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,2,0,0,0,0|0,0,1]=3 1244 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,2,0,0,0,0|1,0,1]=4 1245 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,2,0,0,0,0|1,0,1]=4 1246 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,2,0,0,0,0|1,0,1]=4 1247 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,2,0,0,0,0|1,0,1]=4 1248 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,2,0,0,0,0|1,0,1]=4 1249 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,2,0,0,0,0|1,0,1]=4 1250 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,2,0,0,0,0|1,0,1]=4 1251 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,2,0,0,0,0|1,0,1]=4 1252 B7R0.2 CCN(C)C[N+](=O)[O-] 269982a_100000225621_100000761209 [0,2,0,0,0,0|1,0,1]=4 1253 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,2,0,0,0,0|0,0,0]=2 1254 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,2,0,0,0,0|1,0,1]=4 1255 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,2,0,0,0,0|1,0,1]=4 1256 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,2,0,0,0,0|1,0,0]=3 1257 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,2,0,0,0,0|2,0,0]=4 1258 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,2,0,0,0,0|1,0,0]=3 1259 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,2,0,0,0,0|1,0,1]=4 1260 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,2,0,0,0,0|1,0,1]=4 1261 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,2,0,0,0,0|1,0,1]=4 1262 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,2,0,0,0,0|1,0,1]=4 1263 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,2,0,0,0,0|1,0,0]=3 1264 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,2,0,0,0,0|1,0,0]=3 1265 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,2,0,0,0,0|1,0,0]=3 1266 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,2,0,0,0,0|1,0,0]=3 1267 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,2,0,0,0,0|2,0,0]=4 1268 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,2,0,0,0,0|2,0,0]=4 1269 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,2,0,0,0,0|2,0,0]=4 1270 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,2,0,0,0,0|2,0,0]=4 1271 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,2,0,0,0,0|2,0,0]=4 1272 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,2,0,0,0,0|2,0,0]=4 1273 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,2,0,0,0,0|2,0,0]=4 1274 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,2,0,0,0,0|1,0,0]=3 1275 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,2,0,0,0,0|2,0,0]=4 1276 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,2,0,0,0,0|2,0,0]=4 1277 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,2,0,0,0,0|2,0,0]=4 1278 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,2,0,0,0,0|2,0,0]=4 1279 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,2,0,0,0,0|2,0,0]=4 1280 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,2,0,0,0,0|2,0,0]=4 1281 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,2,0,0,0,0|2,0,0]=4 1282 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,2,0,0,0,0|2,0,0]=4 1283 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,2,0,0,0,0|2,0,0]=4 1284 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,2,0,0,0,0|0,0,1]=3 1285 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,2,0,0,0,0|0,0,1]=3 1286 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,2,0,0,0,0|0,0,1]=3 1287 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,2,0,0,0,0|1,0,0]=3 1288 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,2,0,0,0,0|1,0,0]=3 1289 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,2,0,0,0,0|1,0,0]=3 1290 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,2,0,0,0,0|1,0,0]=3 1291 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,2,0,0,0,0|1,0,1]=4 1292 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,2,0,0,0,0|1,0,1]=4 1293 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,2,0,0,0,0|1,0,1]=4 1294 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,2,0,0,0,0|2,0,0]=4 1295 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,2,0,0,0,0|2,0,0]=4 1296 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,2,0,0,0,0|1,0,0]=3 1297 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,2,0,0,0,0|2,0,0]=4 1298 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,2,0,0,0,0|1,0,1]=4 1299 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,2,0,0,0,0|1,0,1]=4 1300 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [0,2,0,0,0,0|1,0,0]=3 1301 B7R0.2 O=C(CO)C[N+](=O)[O-] 1458a_100000210174_100000761209 [0,2,0,0,0,0|2,0,0]=4 1302 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,2,0,0,0,0|0,0,2]=4 1303 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,2,0,0,0,0|1,0,1]=4 1304 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [0,2,0,0,0,0|1,0,1]=4 1305 B7R0.3 C#CC(=O)CC#CC 1458a_100000211873_100000748600 [0,2,0,0,0,0|1,0,1]=4 1306 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [0,2,0,0,0,0|1,0,1]=4 1307 B7R0.3 C#CC(=O)CCC#N 1458a_100000211873_100011215226 [0,2,0,0,0,0|1,0,1]=4 1308 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [0,2,0,0,0,0|1,0,1]=4 1309 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,2,0,0,0,0|1,0,0]=3 1310 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,2,0,0,0,0|1,0,0]=3 1311 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,2,0,0,0,0|1,0,0]=3 1312 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,2,0,0,0,0|1,0,0]=3 1313 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,2,0,0,0,0|1,0,0]=3 1314 B7R0.3 C#CCCC(=O)C#C 1458a_100000211873_100000753159 [0,2,0,0,0,0|1,0,1]=4 1315 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [0,2,0,0,0,0|1,0,1]=4 1316 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,2,0,0,0,0|1,0,1]=4 1317 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,2,0,0,0,0|1,0,1]=4 1318 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,2,0,0,0,0|1,0,1]=4 1319 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,2,0,0,0,0|0,0,1]=3 1320 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,2,0,0,0,0|1,0,1]=4 1321 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,2,0,0,0,0|1,0,1]=4 1322 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,2,0,0,0,0|1,0,1]=4 1323 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,2,0,0,0,0|1,0,1]=4 1324 B7R0.3 C#CCNC(=O)CO 240690a_100000212058_100000210174 [0,2,0,0,0,0|0,0,2]=4 1325 B7R0.3 C#CCNC(=O)CO 527a_100000212058_100000210174 [0,2,0,0,0,0|0,0,2]=4 1326 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,2,0,0,0,0|1,0,1]=4 1327 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,2,0,0,0,0|0,0,1]=3 1328 B7R0.3 C=C(C#N)CNCC 2230a_100015525214_100000694840 [0,2,0,0,0,0|2,0,0]=4 1329 B7R0.3 C=C(C#N)COCC 34a_100121572206_100000694840 [0,2,0,0,0,0|2,0,0]=4 1330 B7R0.3 C=C(C#N)CSCC 62a_100000210202_100000694840 [0,2,0,0,0,0|2,0,0]=4 1331 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,2,0,0,0,0|1,0,1]=4 1332 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [0,2,0,0,0,0|1,0,1]=4 1333 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,2,0,0,0,0|1,0,1]=4 1334 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [0,2,0,0,0,0|1,0,1]=4 1335 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,2,0,0,0,0|1,0,0]=3 1336 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,2,0,0,0,0|1,0,0]=3 1337 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,2,0,0,0,0|1,0,0]=3 1338 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,2,0,0,0,0|1,0,0]=3 1339 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,2,0,0,0,0|1,0,0]=3 1340 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,2,0,0,0,0|1,0,0]=3 1341 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,2,0,0,0,0|1,0,0]=3 1342 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,2,0,0,0,0|2,0,0]=4 1343 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,2,0,0,0,0|2,0,0]=4 1344 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,2,0,0,0,0|2,0,0]=4 1345 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [0,2,0,0,0,0|2,0,0]=4 1346 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [0,2,0,0,0,0|1,0,1]=4 1347 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,2,0,0,0,0|1,0,1]=4 1348 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,2,0,0,0,0|1,0,1]=4 1349 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,2,0,0,0,0|1,0,1]=4 1350 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,2,0,0,0,0|1,0,1]=4 1351 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,2,0,0,0,0|1,0,1]=4 1352 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,2,0,0,0,0|1,0,1]=4 1353 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,2,0,0,0,0|1,0,1]=4 1354 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,2,0,0,0,0|0,0,1]=3 1355 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,2,0,0,0,0|1,0,1]=4 1356 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,2,0,0,0,0|1,0,1]=4 1357 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,2,0,0,0,0|1,0,1]=4 1358 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,2,0,0,0,0|1,0,1]=4 1359 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,2,0,0,0,0|0,0,2]=4 1360 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,2,0,0,0,0|0,0,2]=4 1361 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,2,0,0,0,0|1,0,1]=4 1362 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,2,0,0,0,0|0,0,1]=3 1363 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,2,0,0,0,0|1,0,1]=4 1364 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,2,0,0,0,0|1,0,1]=4 1365 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,2,0,0,0,0|1,0,1]=4 1366 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,2,0,0,0,0|1,0,1]=4 1367 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,2,0,0,0,0|1,0,1]=4 1368 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,2,0,0,0,0|1,0,1]=4 1369 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,2,0,0,0,0|1,0,1]=4 1370 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,2,0,0,0,0|0,0,1]=3 1371 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,2,0,0,0,0|1,0,1]=4 1372 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,2,0,0,0,0|1,0,1]=4 1373 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,2,0,0,0,0|1,0,1]=4 1374 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,2,0,0,0,0|1,0,1]=4 1375 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,2,0,0,0,0|1,0,1]=4 1376 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,2,0,0,0,0|1,0,1]=4 1377 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,2,0,0,0,0|1,0,1]=4 1378 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,2,0,0,0,0|1,0,1]=4 1379 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,2,0,0,0,0|1,0,0]=3 1380 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,2,0,0,0,0|1,0,0]=3 1381 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,2,0,0,0,0|1,0,0]=3 1382 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,2,0,0,0,0|1,0,0]=3 1383 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,2,0,0,0,0|1,0,0]=3 1384 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,2,0,0,0,0|1,0,0]=3 1385 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,2,0,0,0,0|2,0,0]=4 1386 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,2,0,0,0,0|2,0,0]=4 1387 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,2,0,0,0,0|2,0,0]=4 1388 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,2,0,0,0,0|2,0,0]=4 1389 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,2,0,0,0,0|2,0,0]=4 1390 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,2,0,0,0,0|2,0,0]=4 1391 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,2,0,0,0,0|2,0,0]=4 1392 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,2,0,0,0,0|2,0,0]=4 1393 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,2,0,0,0,0|2,0,0]=4 1394 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,2,0,0,0,0|1,0,1]=4 1395 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,2,0,0,0,0|1,0,1]=4 1396 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,2,0,0,0,0|1,0,1]=4 1397 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,2,0,0,0,0|1,0,1]=4 1398 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,2,0,0,0,0|1,0,1]=4 1399 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,2,0,0,0,0|1,0,0]=3 1400 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,2,0,0,0,0|1,0,0]=3 1401 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,2,0,0,0,0|1,0,0]=3 1402 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,2,0,0,0,0|0,0,0]=2 1403 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,2,0,0,0,0|1,0,0]=3 1404 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,2,0,0,0,0|1,0,0]=3 1405 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,2,0,0,0,0|1,0,0]=3 1406 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,2,0,0,0,0|1,0,0]=3 1407 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,2,0,0,0,0|1,0,1]=4 1408 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,2,0,0,0,0|1,0,1]=4 1409 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,2,0,0,0,0|1,0,1]=4 1410 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,2,0,0,0,0|1,0,1]=4 1411 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,2,0,0,0,0|1,0,1]=4 1412 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,2,0,0,0,0|1,0,0]=3 1413 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,2,0,0,0,0|1,0,0]=3 1414 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,2,0,0,0,0|1,0,0]=3 1415 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,2,0,0,0,0|1,0,0]=3 1416 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,2,0,0,0,0|0,0,0]=2 1417 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,2,0,0,0,0|0,0,0]=2 1418 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,2,0,0,0,0|1,0,0]=3 1419 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,2,0,0,0,0|1,0,0]=3 1420 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,2,0,0,0,0|1,0,0]=3 1421 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,2,0,0,0,0|1,0,0]=3 1422 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,2,0,0,0,0|1,0,0]=3 1423 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,2,0,0,0,0|1,0,0]=3 1424 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,2,0,0,0,0|1,0,1]=4 1425 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,2,0,0,0,0|1,0,1]=4 1426 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,2,0,0,0,0|1,0,1]=4 1427 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,2,0,0,0,0|1,0,1]=4 1428 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,2,0,0,0,0|1,0,1]=4 1429 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,2,0,0,0,0|1,0,1]=4 1430 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,2,0,0,0,0|1,0,1]=4 1431 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,2,0,0,0,0|1,0,0]=3 1432 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,2,0,0,0,0|1,0,0]=3 1433 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,2,0,0,0,0|0,0,0]=2 1434 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,2,0,0,0,0|1,0,1]=4 1435 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,2,0,0,0,0|1,0,1]=4 1436 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,2,0,0,0,0|1,0,1]=4 1437 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,2,0,0,0,0|0,0,2]=4 1438 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,2,0,0,0,0|1,0,1]=4 1439 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,2,0,0,0,0|1,0,1]=4 1440 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [0,2,0,0,0,0|1,0,1]=4 1441 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [0,2,0,0,0,0|1,0,1]=4 1442 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,2,0,0,0,0|0,0,2]=4 1443 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,2,0,0,0,0|0,0,2]=4 1444 B7R0.3 CCNN=C(C)CO 4a_100000756455_100000211253 [0,2,0,0,0,0|2,0,0]=4 1445 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,2,0,0,0,0|2,0,0]=4 1446 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,2,0,0,0,0|1,0,0]=3 1447 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,2,0,0,0,0|2,0,0]=4 1448 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,2,0,0,0,0|2,0,0]=4 1449 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,2,0,0,0,0|2,0,0]=4 1450 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,2,0,0,0,0|1,0,0]=3 1451 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,2,0,0,0,0|1,0,0]=3 1452 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,2,0,0,0,0|1,0,0]=3 1453 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,2,0,0,0,0|1,0,0]=3 1454 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,2,0,0,0,0|1,0,0]=3 1455 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,2,0,0,0,0|1,0,0]=3 1456 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,2,0,0,0,0|1,0,0]=3 1457 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,2,0,0,0,0|1,0,0]=3 1458 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,2,0,0,0,0|1,0,0]=3 1459 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,2,0,0,0,0|0,0,0]=2 1460 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,2,0,0,0,0|1,0,1]=4 1461 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,2,0,0,0,0|1,0,1]=4 1462 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,2,0,0,0,0|1,0,1]=4 1463 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,2,0,0,0,0|1,0,1]=4 1464 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,2,0,0,0,0|1,0,1]=4 1465 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,2,0,0,0,0|1,0,1]=4 1466 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,2,0,0,0,0|0,0,2]=4 1467 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,2,0,0,0,0|1,0,1]=4 1468 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,2,0,0,0,0|1,0,1]=4 1469 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,2,0,0,0,0|0,0,2]=4 1470 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,2,0,0,0,0|1,0,0]=3 1471 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,2,0,0,0,0|1,0,0]=3 1472 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,2,0,0,0,0|1,0,0]=3 1473 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,2,0,0,0,0|1,0,0]=3 1474 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,2,0,0,0,0|1,0,0]=3 1475 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,2,0,0,0,0|1,0,0]=3 1476 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,2,0,0,0,0|1,0,0]=3 1477 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,2,0,0,0,0|1,0,0]=3 1478 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,2,0,0,0,0|1,0,0]=3 1479 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,2,0,0,0,0|1,0,0]=3 1480 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,2,0,0,0,0|0,0,0]=2 1481 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,2,0,0,0,0|0,0,0]=2 1482 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,2,0,0,0,0|1,0,1]=4 1483 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,2,0,0,0,0|1,0,1]=4 1484 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,2,0,0,0,0|0,0,2]=4 1485 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,2,0,0,0,0|0,0,2]=4 1486 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,2,0,0,0,0|1,0,1]=4 1487 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,2,0,0,0,0|1,0,1]=4 1488 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,2,0,0,0,0|1,0,1]=4 1489 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,2,0,0,0,0|1,0,1]=4 1490 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,2,0,0,0,0|0,0,2]=4 1491 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,2,0,0,0,0|0,0,2]=4 1492 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,2,0,0,0,0|1,0,1]=4 1493 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,2,0,0,0,0|1,0,1]=4 1494 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,2,0,0,0,0|1,0,1]=4 1495 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,2,0,0,0,0|1,0,1]=4 1496 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,2,0,0,0,0|1,0,0]=3 1497 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,2,0,0,0,0|1,0,0]=3 1498 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,2,0,0,0,0|1,0,0]=3 1499 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,2,0,0,0,0|1,0,0]=3 1500 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,2,0,0,0,0|1,0,0]=3 1501 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,2,0,0,0,0|1,0,0]=3 1502 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,2,0,0,0,0|1,0,0]=3 1503 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,2,0,0,0,0|1,0,0]=3 1504 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,2,0,0,0,0|1,0,0]=3 1505 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,2,0,0,0,0|1,0,0]=3 1506 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,2,0,0,0,0|1,0,0]=3 1507 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,2,0,0,0,0|1,0,0]=3 1508 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,2,0,0,0,0|1,0,0]=3 1509 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,2,0,0,0,0|1,0,0]=3 1510 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,2,0,0,0,0|1,0,0]=3 1511 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,2,0,0,0,0|1,0,0]=3 1512 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,2,0,0,0,0|1,0,0]=3 1513 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,2,0,0,0,0|2,0,0]=4 1514 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,2,0,0,0,0|2,0,0]=4 1515 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,2,0,0,0,0|2,0,0]=4 1516 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,2,0,0,0,0|2,0,0]=4 1517 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,2,0,0,0,0|2,0,0]=4 1518 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,2,0,0,0,0|2,0,0]=4 1519 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,2,0,0,0,0|2,0,0]=4 1520 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,2,0,0,0,0|2,0,0]=4 1521 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,2,0,0,0,0|2,0,0]=4 1522 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,2,0,0,0,0|2,0,0]=4 1523 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,2,0,0,0,0|2,0,0]=4 1524 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,2,0,0,0,0|1,0,0]=3 1525 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,2,0,0,0,0|1,0,0]=3 1526 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,2,0,0,0,0|1,0,0]=3 1527 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,2,0,0,0,0|1,0,0]=3 1528 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,2,0,0,0,0|1,0,0]=3 1529 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,2,0,0,0,0|0,0,0]=2 1530 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,2,0,0,0,0|0,0,0]=2 1531 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,2,0,0,0,0|0,0,0]=2 1532 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,2,0,0,0,0|1,0,1]=4 1533 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,2,0,0,0,0|1,0,1]=4 1534 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,2,0,0,0,0|0,0,0]=2 1535 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,2,0,0,0,0|0,0,0]=2 1536 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,2,0,0,0,0|0,0,0]=2 1537 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,2,0,0,0,0|0,0,0]=2 1538 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,2,0,0,0,0|1,0,0]=3 1539 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,2,0,0,0,0|1,0,0]=3 1540 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,2,0,0,0,0|1,0,0]=3 1541 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,2,0,0,0,0|1,0,0]=3 1542 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,2,0,0,0,0|1,0,1]=4 1543 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,2,0,0,0,0|1,0,1]=4 1544 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,2,0,0,0,0|1,0,1]=4 1545 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [0,2,0,0,0,0|1,0,0]=3 1546 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,2,0,0,0,0|1,0,0]=3 1547 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,2,0,0,0,0|0,0,0]=2 1548 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,2,0,0,0,0|0,0,0]=2 1549 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,2,0,0,0,0|1,0,1]=4 1550 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,2,0,0,0,0|1,0,0]=3 1551 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,2,0,0,0,0|0,0,0]=2 1552 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,2,0,0,0,0|1,0,1]=4 1553 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,2,0,0,0,0|0,0,1]=3 1554 B7R0.3 N#CCNC(=O)CO 527a_100000734998_100000210174 [0,2,0,0,0,0|1,0,1]=4 1555 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,2,0,0,0,0|0,0,0]=2 1556 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,2,0,0,0,0|0,0,0]=2 1557 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,2,0,0,0,0|1,0,0]=3 1558 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,2,0,0,0,0|1,0,0]=3 1559 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,2,0,0,0,0|1,0,0]=3 1560 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,2,0,0,0,0|1,0,0]=3 1561 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [0,2,0,0,0,0|1,0,0]=3 1562 B7R0.5 C#CCC(=O)C(O)O 1458a_100000233687_100000184674 [0,2,0,0,0,0|0,0,2]=4 1563 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [0,2,0,0,0,0|0,0,2]=4 1564 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [0,2,0,0,0,0|0,0,2]=4 1565 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,2,0,0,0,0|2,0,0]=4 1566 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,2,0,0,0,0|1,0,0]=3 1567 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,2,0,0,0,0|2,0,0]=4 1568 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,2,0,0,0,0|2,0,0]=4 1569 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,2,0,0,0,0|2,0,0]=4 1570 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,2,0,0,0,0|2,0,0]=4 1571 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,2,0,0,0,0|2,0,0]=4 1572 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,2,0,0,0,0|2,0,0]=4 1573 B7R0.5 C=CCC(=O)C(O)O 1458a_100000233687_100000210623 [0,2,0,0,0,0|0,0,2]=4 1574 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,2,0,0,0,0|0,0,2]=4 1575 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,2,0,0,0,0|0,0,2]=4 1576 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,2,0,0,0,0|1,0,1]=4 1577 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,2,0,0,0,0|1,0,1]=4 1578 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,2,0,0,0,0|1,0,1]=4 1579 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,2,0,0,0,0|1,0,1]=4 1580 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,2,0,0,0,0|1,0,1]=4 1581 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,2,0,0,0,0|1,0,0]=3 1582 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,2,0,0,0,0|1,0,0]=3 1583 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,2,0,0,0,0|1,0,0]=3 1584 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,2,0,0,0,0|2,0,0]=4 1585 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,2,0,0,0,0|2,0,0]=4 1586 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,2,0,0,0,0|2,0,0]=4 1587 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,2,0,0,0,0|2,0,0]=4 1588 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,2,0,0,0,0|2,0,0]=4 1589 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,2,0,0,0,0|2,0,0]=4 1590 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,2,0,0,0,0|2,0,0]=4 1591 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,2,0,0,0,0|2,0,0]=4 1592 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,2,0,0,0,0|2,0,0]=4 1593 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,2,0,0,0,0|2,0,0]=4 1594 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,2,0,0,0,0|0,0,0]=2 1595 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 34a_100000039676_200025704644 [0,2,0,0,0,0|1,0,1]=4 1596 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 7a_100000039676_200025704644 [0,2,0,0,0,0|1,0,1]=4 1597 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,2,0,0,0,0|2,0,0]=4 1598 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,2,0,0,0,0|2,0,0]=4 1599 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,2,0,0,0,0|2,0,0]=4 1600 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,2,0,0,0,0|2,0,0]=4 1601 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,2,0,0,0,0|1,0,1]=4 1602 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,2,0,0,0,0|1,0,1]=4 1603 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,2,0,0,0,0|1,0,0]=3 1604 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,2,0,0,0,0|1,0,0]=3 1605 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,2,0,0,0,0|1,0,0]=3 1606 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,2,0,0,0,0|0,0,0]=2 1607 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,2,0,0,0,0|1,0,0]=3 1608 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,2,0,0,0,0|1,0,0]=3 1609 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,2,0,0,0,0|1,0,0]=3 1610 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,2,0,0,0,0|1,0,0]=3 1611 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,2,0,0,0,0|0,0,0]=2 1612 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,2,0,0,0,0|0,0,0]=2 1613 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,2,0,0,0,0|1,0,0]=3 1614 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,2,0,0,0,0|1,0,0]=3 1615 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,2,0,0,0,0|1,0,0]=3 1616 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,2,0,0,0,0|1,0,0]=3 1617 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,2,0,0,0,0|1,0,0]=3 1618 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,2,0,0,0,0|1,0,0]=3 1619 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,2,0,0,0,0|1,0,0]=3 1620 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,2,0,0,0,0|0,0,1]=3 1621 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,2,0,0,0,0|0,0,1]=3 1622 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,2,0,0,0,0|1,0,1]=4 1623 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,2,0,0,0,0|1,0,1]=4 1624 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,2,0,0,0,0|1,0,1]=4 1625 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,2,0,0,0,0|2,0,0]=4 1626 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,2,0,0,0,0|2,0,0]=4 1627 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,2,0,0,0,0|2,0,0]=4 1628 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,2,0,0,0,0|2,0,0]=4 1629 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,2,0,0,0,0|2,0,0]=4 1630 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,2,0,0,0,0|2,0,0]=4 1631 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,2,0,0,0,0|2,0,0]=4 1632 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,2,0,0,0,0|2,0,0]=4 1633 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,2,0,0,0,0|2,0,0]=4 1634 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,2,0,0,0,0|1,0,0]=3 1635 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,2,0,0,0,0|2,0,0]=4 1636 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,2,0,0,0,0|1,0,0]=3 1637 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,2,0,0,0,0|1,0,0]=3 1638 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,2,0,0,0,0|1,0,0]=3 1639 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,2,0,0,0,0|1,0,0]=3 1640 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,2,0,0,0,0|1,0,0]=3 1641 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,2,0,0,0,0|0,0,0]=2 1642 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,2,0,0,0,0|1,0,0]=3 1643 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,2,0,0,0,0|1,0,0]=3 1644 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,2,0,0,0,0|1,0,0]=3 1645 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,2,0,0,0,0|1,0,0]=3 1646 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,2,0,0,0,0|1,0,0]=3 1647 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,2,0,0,0,0|1,0,0]=3 1648 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,2,0,0,0,0|1,0,0]=3 1649 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,2,0,0,0,0|0,0,1]=3 1650 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,2,0,0,0,0|0,0,1]=3 1651 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,2,0,0,0,0|1,0,0]=3 1652 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,2,0,0,0,0|1,0,0]=3 1653 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,2,0,0,0,0|1,0,0]=3 1654 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,2,0,0,0,0|1,0,0]=3 1655 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,2,0,0,0,0|1,0,0]=3 1656 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,2,0,0,0,0|1,0,0]=3 1657 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,2,0,0,0,0|1,0,0]=3 1658 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,2,0,0,0,0|1,0,0]=3 1659 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,2,0,0,0,0|1,0,0]=3 1660 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,2,0,0,0,0|1,0,0]=3 1661 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,2,0,0,0,0|0,0,1]=3 1662 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,2,0,0,0,0|0,0,1]=3 1663 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,2,0,0,0,0|2,0,0]=4 1664 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,2,0,0,0,0|2,0,0]=4 1665 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,2,0,0,0,0|2,0,0]=4 1666 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,2,0,0,0,0|2,0,0]=4 1667 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,2,0,0,0,0|1,0,1]=4 1668 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,2,0,0,0,0|2,0,0]=4 1669 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,2,0,0,0,0|2,0,0]=4 1670 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,2,0,0,0,0|2,0,0]=4 1671 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,2,0,0,0,0|2,0,0]=4 1672 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,2,0,0,0,0|2,0,0]=4 1673 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,2,0,0,0,0|2,0,0]=4 1674 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,2,0,0,0,0|2,0,0]=4 1675 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,2,0,0,0,0|0,0,0]=2 1676 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,2,0,0,0,0|0,0,0]=2 1677 B7R0.5 CNNC(=O)C(O)O 22a_100016993582_100000233687 [0,2,0,0,0,0|2,0,0]=4 1678 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,2,0,0,0,0|2,0,0]=4 1679 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,2,0,0,0,0|2,0,0]=4 1680 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,2,0,0,0,0|1,0,1]=4 1681 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,2,0,0,0,0|2,0,0]=4 1682 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,2,0,0,0,0|2,0,0]=4 1683 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,2,0,0,0,0|2,0,0]=4 1684 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,2,0,0,0,0|2,0,0]=4 1685 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,2,0,0,0,0|2,0,0]=4 1686 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,2,0,0,0,0|2,0,0]=4 1687 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,2,0,0,0,0|2,0,0]=4 1688 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,2,0,0,0,0|1,0,0]=3 1689 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,2,0,0,0,0|1,0,0]=3 1690 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,2,0,0,0,0|1,0,0]=3 1691 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,2,0,0,0,0|1,0,0]=3 1692 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,2,0,0,0,0|1,0,0]=3 1693 B7R0.5 COCC(C)[N+](=O)[O-] 34a_100000039676_200000210301 [0,2,0,0,0,0|1,0,1]=4 1694 B7R0.5 COCC(C)[N+](=O)[O-] 7a_100000039676_200000210301 [0,2,0,0,0,0|1,0,1]=4 1695 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,2,0,0,0,0|1,0,0]=3 1696 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,2,0,0,0,0|1,0,1]=4 1697 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,2,0,0,0,0|1,0,1]=4 1698 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,2,0,0,0,0|2,0,0]=4 1699 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,2,0,0,0,0|2,0,0]=4 1700 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,2,0,0,0,0|2,0,0]=4 1701 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,2,0,0,0,0|2,0,0]=4 1702 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,2,0,0,0,0|2,0,0]=4 1703 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,2,0,0,0,0|2,0,0]=4 1704 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,2,0,0,0,0|2,0,0]=4 1705 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,2,0,0,0,0|2,0,0]=4 1706 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,2,0,0,0,0|2,0,0]=4 1707 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,2,0,0,0,0|1,0,0]=3 1708 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,2,0,0,0,0|1,0,0]=3 1709 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,2,0,0,0,0|2,0,0]=4 1710 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [0,2,0,0,0,0|1,0,1]=4 1711 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,2,0,0,0,0|1,0,0]=3 1712 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,2,0,0,0,0|1,0,0]=3 1713 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,2,0,0,0,0|2,0,0]=4 1714 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,2,0,0,0,0|2,0,0]=4 1715 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,2,0,0,0,0|1,0,0]=3 1716 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [0,2,0,0,0,0|1,0,1]=4 1717 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,2,0,0,0,0|1,0,0]=3 1718 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,2,0,0,0,0|1,0,0]=3 1719 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,2,0,0,0,0|1,0,1]=4 1720 B7R0.5 N#CCC(=O)C(O)O 1458a_100000233687_100011214920 [0,2,0,0,0,0|1,0,1]=4 1721 B7R0.5 NC(=O)C(F)SCF 62a_100009813875_100015361967 [0,2,0,0,0,0|2,0,0]=4 1722 B7R0.5 NC(=O)C(F)SCF 62a_100015361967_100009813875 [0,2,0,0,0,0|2,0,0]=4 1723 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [0,2,0,0,0,0|1,0,0]=3 1724 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,2,0,0,0,0|1,0,0]=3 1725 B7R0.5 O=C([O-])C(F)SCF 62a_100015361967_100020610796 [0,2,0,0,0,0|1,0,1]=4 1726 B7R0.5 O=C([O-])C(F)SCF 62a_100020610796_100015361967 [0,2,0,0,0,0|1,0,1]=4 1727 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,2,0,0,0,0|0,0,0]=2 1728 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,2,0,0,0,0|1,0,0]=3 1729 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,2,0,0,0,0|1,0,0]=3 1730 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,2,0,0,0,0|1,0,0]=3 1731 B7R0.7 C#CCC(=O)CCF 1458a_100011220946_100011217306 [0,2,0,0,0,0|2,0,0]=4 1732 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [0,2,0,0,0,0|0,0,2]=4 1733 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [0,2,0,0,0,0|0,0,2]=4 1734 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,2,0,0,0,0|0,0,2]=4 1735 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [0,2,0,0,0,0|2,0,0]=4 1736 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,2,0,0,0,0|2,0,0]=4 1737 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,2,0,0,0,0|1,0,0]=3 1738 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,2,0,0,0,0|1,0,0]=3 1739 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,2,0,0,0,0|2,0,0]=4 1740 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,2,0,0,0,0|0,0,2]=4 1741 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,2,0,0,0,0|0,0,2]=4 1742 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,2,0,0,0,0|0,0,2]=4 1743 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,2,0,0,0,0|2,0,0]=4 1744 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,2,0,0,0,0|2,0,0]=4 1745 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,2,0,0,0,0|2,0,0]=4 1746 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,2,0,0,0,0|2,0,0]=4 1747 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,2,0,0,0,0|1,0,0]=3 1748 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,2,0,0,0,0|1,0,0]=3 1749 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,2,0,0,0,0|1,0,0]=3 1750 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,2,0,0,0,0|1,0,0]=3 1751 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,2,0,0,0,0|1,0,0]=3 1752 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,2,0,0,0,0|1,0,0]=3 1753 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,2,0,0,0,0|1,0,0]=3 1754 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,2,0,0,0,0|1,0,0]=3 1755 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,2,0,0,0,0|2,0,0]=4 1756 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,2,0,0,0,0|0,0,2]=4 1757 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,2,0,0,0,0|1,0,0]=3 1758 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,2,0,0,0,0|2,0,0]=4 1759 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,2,0,0,0,0|0,0,2]=4 1760 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,2,0,0,0,0|2,0,0]=4 1761 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,2,0,0,0,0|2,0,0]=4 1762 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,2,0,0,0,0|1,0,0]=3 1763 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,2,0,0,0,0|1,0,0]=3 1764 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,2,0,0,0,0|1,0,0]=3 1765 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,2,0,0,0,0|1,0,0]=3 1766 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,2,0,0,0,0|1,0,0]=3 1767 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,2,0,0,0,0|1,0,0]=3 1768 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,2,0,0,0,0|1,0,0]=3 1769 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,2,0,0,0,0|0,0,0]=2 1770 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,2,0,0,0,0|0,0,0]=2 1771 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,2,0,0,0,0|1,0,0]=3 1772 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,2,0,0,0,0|1,0,0]=3 1773 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,2,0,0,0,0|0,0,0]=2 1774 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,2,0,0,0,0|0,1,0]=3 1775 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,2,0,0,0,0|0,1,0]=3 1776 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,2,0,0,0,0|0,1,0]=3 1777 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,2,0,0,0,0|0,1,0]=3 1778 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,2,0,0,0,0|0,1,0]=3 1779 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,2,0,0,0,0|1,0,0]=3 1780 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,2,0,0,0,0|1,0,0]=3 1781 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,2,0,0,0,0|1,0,0]=3 1782 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,2,0,0,0,0|1,0,0]=3 1783 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,2,0,0,0,0|1,0,1]=4 1784 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,2,0,0,0,0|1,0,1]=4 1785 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,2,0,0,0,0|1,0,1]=4 1786 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,2,0,0,0,0|1,0,1]=4 1787 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,2,0,0,0,0|1,0,1]=4 1788 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,2,0,0,0,0|1,0,1]=4 1789 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,2,0,0,0,0|1,0,1]=4 1790 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,2,0,0,0,0|1,0,1]=4 1791 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,2,0,0,0,0|1,0,1]=4 1792 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,2,0,0,0,0|1,0,1]=4 1793 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,2,0,0,0,0|2,0,0]=4 1794 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,2,0,0,0,0|2,0,0]=4 1795 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,2,0,0,0,0|2,0,0]=4 1796 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,2,0,0,0,0|2,0,0]=4 1797 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,2,0,0,0,0|2,0,0]=4 1798 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,2,0,0,0,0|2,0,0]=4 1799 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,2,0,0,0,0|2,0,0]=4 1800 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,2,0,0,0,0|2,0,0]=4 1801 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,2,0,0,0,0|2,0,0]=4 1802 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,2,0,0,0,0|2,0,0]=4 1803 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,2,0,0,0,0|2,0,0]=4 1804 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,2,0,0,0,0|2,0,0]=4 1805 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,2,0,0,0,0|1,0,1]=4 1806 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,2,0,0,0,0|1,0,1]=4 1807 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,2,0,0,0,0|2,0,0]=4 1808 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,2,0,0,0,0|2,0,0]=4 1809 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,2,0,0,0,0|2,0,0]=4 1810 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,2,0,0,0,0|2,0,0]=4 1811 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,2,0,0,0,0|1,0,0]=3 1812 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,2,0,0,0,0|2,0,0]=4 1813 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,2,0,0,0,0|2,0,0]=4 1814 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,2,0,0,0,0|2,0,0]=4 1815 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,2,0,0,0,0|2,0,0]=4 1816 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,2,0,0,0,0|2,0,0]=4 1817 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,2,0,0,0,0|1,0,0]=3 1818 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,2,0,0,0,0|1,0,0]=3 1819 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,2,0,0,0,0|1,0,0]=3 1820 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,2,0,0,0,0|1,0,0]=3 1821 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,2,0,0,0,0|1,1,0]=4 1822 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,2,0,0,0,0|1,1,0]=4 1823 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,2,0,0,0,0|1,1,0]=4 1824 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,2,0,0,0,0|1,1,0]=4 1825 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,2,0,0,0,0|1,1,0]=4 1826 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,2,0,0,0,0|1,1,0]=4 1827 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,2,0,0,0,0|1,1,0]=4 1828 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,2,0,0,0,0|2,0,0]=4 1829 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,2,0,0,0,0|2,0,0]=4 1830 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,2,0,0,0,0|2,0,0]=4 1831 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,2,0,0,0,0|2,0,0]=4 1832 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,2,0,0,0,0|2,0,0]=4 1833 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,2,0,0,0,0|2,0,0]=4 1834 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,2,0,0,0,0|1,0,0]=3 1835 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,2,0,0,0,0|1,0,0]=3 1836 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,2,0,0,0,0|1,0,0]=3 1837 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,2,0,0,0,0|1,0,0]=3 1838 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,2,0,0,0,0|1,0,0]=3 1839 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,2,0,0,0,0|1,0,0]=3 1840 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,2,0,0,0,0|1,0,0]=3 1841 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,2,0,0,0,0|1,0,0]=3 1842 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,2,0,0,0,0|1,0,0]=3 1843 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,2,0,0,0,0|1,0,0]=3 1844 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,2,0,0,0,0|1,0,0]=3 1845 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,2,0,0,0,0|2,0,0]=4 1846 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,2,0,0,0,0|2,0,0]=4 1847 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,2,0,0,0,0|2,0,0]=4 1848 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,2,0,0,0,0|1,0,1]=4 1849 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,2,0,0,0,0|1,0,0]=3 1850 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,2,0,0,0,0|1,0,0]=3 1851 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,2,0,0,0,0|1,0,0]=3 1852 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [0,2,0,0,0,0|2,0,0]=4 1853 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,2,0,0,0,0|1,1,0]=4 1854 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,2,0,0,0,0|1,0,0]=3 1855 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,2,0,0,0,0|1,0,0]=3 1856 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,2,0,0,0,0|1,0,0]=3 1857 B7R0.7 N#CCC(=O)CCF 1458a_100051588842_100011217306 [0,2,0,0,0,0|2,0,0]=4 1858 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [0,2,0,0,0,0|1,0,1]=4 1859 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [0,2,0,0,0,0|1,0,1]=4 1860 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,2,0,0,0,0|2,0,0]=4 1861 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,2,0,0,0,0|2,0,0]=4 1862 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,2,0,0,0,0|2,0,0]=4 1863 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,2,0,0,0,0|2,0,0]=4 1864 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,2,0,0,0,0|2,0,0]=4 1865 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,2,0,0,0,0|2,0,0]=4 1866 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,2,0,0,0,0|1,0,0]=3 1867 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,2,0,0,0,0|1,0,0]=3 1868 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,2,0,0,0,0|1,0,0]=3 1869 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,2,0,0,0,0|1,0,0]=3 1870 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,2,0,0,0,0|1,0,0]=3 1871 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [0,2,0,0,0,0|0,0,2]=4 1872 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,2,0,0,0,0|1,0,0]=3 1873 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,2,0,0,0,0|2,0,0]=4 1874 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,2,0,0,0,0|2,0,0]=4 1875 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [0,2,0,0,0,0|1,0,1]=4 1876 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [0,2,0,0,0,0|2,0,0]=4 1877 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,2,0,0,0,0|1,0,1]=4 1878 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,2,0,0,0,0|1,0,0]=3 1879 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,2,0,0,0,0|1,0,0]=3 1880 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,2,0,0,0,0|2,0,0]=4 1881 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,2,0,0,0,0|2,0,0]=4 1882 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,2,0,0,0,0|2,0,0]=4 1883 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,2,0,0,0,0|2,0,0]=4 1884 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,2,0,0,0,0|2,0,0]=4 1885 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,2,0,0,0,0|2,0,0]=4 1886 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,2,0,0,0,0|2,0,0]=4 1887 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,2,0,0,0,0|2,0,0]=4 1888 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,2,0,0,0,0|1,0,0]=3 1889 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,2,0,0,0,0|2,0,0]=4 1890 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 1891 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 1892 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 1893 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 1894 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,2,0,0,0,0|1,0,0]=3 1895 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,2,0,0,0,0|0,0,0]=2 1896 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,2,0,0,0,0|1,0,0]=3 1897 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,2,0,0,0,0|1,0,0]=3 1898 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,2,0,0,0,0|1,0,0]=3 1899 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,2,0,0,0,0|1,0,0]=3 1900 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,2,0,0,0,0|1,0,1]=4 1901 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,2,0,0,0,0|1,0,1]=4 1902 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,2,0,0,0,0|1,0,0]=3 1903 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,2,0,0,0,0|1,0,0]=3 1904 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,2,0,0,0,0|1,0,0]=3 1905 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,2,0,0,0,0|1,0,0]=3 1906 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,2,0,0,0,0|2,0,0]=4 1907 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,2,0,0,0,0|2,0,0]=4 1908 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,2,0,0,0,0|1,0,1]=4 1909 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,2,0,0,0,0|1,0,1]=4 1910 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,2,0,0,0,0|1,0,1]=4 1911 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,2,0,0,0,0|1,0,1]=4 1912 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,2,0,0,0,0|2,0,0]=4 1913 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,2,0,0,0,0|2,0,0]=4 1914 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,2,0,0,0,0|2,0,0]=4 1915 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,2,0,0,0,0|2,0,0]=4 1916 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,2,0,0,0,0|2,0,0]=4 1917 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,2,0,0,0,0|2,0,0]=4 1918 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,2,0,0,0,0|2,0,0]=4 1919 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,2,0,0,0,0|2,0,0]=4 1920 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,2,0,0,0,0|2,0,0]=4 1921 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,2,0,0,0,0|2,0,0]=4 1922 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,2,0,0,0,0|2,0,0]=4 1923 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,2,0,0,0,0|2,0,0]=4 1924 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,2,0,0,0,0|2,0,0]=4 1925 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,2,0,0,0,0|2,0,0]=4 1926 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,2,0,0,0,0|2,0,0]=4 1927 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,2,0,0,0,0|2,0,0]=4 1928 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,2,0,0,0,0|2,0,0]=4 1929 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,2,0,0,0,0|2,0,0]=4 1930 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,2,0,0,0,0|2,0,0]=4 1931 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,2,0,0,0,0|2,0,0]=4 1932 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [0,2,0,0,0,0|2,0,0]=4 1933 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [0,2,0,0,0,0|2,0,0]=4 1934 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [0,2,0,0,0,0|2,0,0]=4 1935 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [0,2,0,0,0,0|2,0,0]=4 1936 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,2,0,0,0,0|2,0,0]=4 1937 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,2,0,0,0,0|2,0,0]=4 1938 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,2,0,0,0,0|2,0,0]=4 1939 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,2,0,0,0,0|2,0,0]=4 1940 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,2,0,0,0,0|2,0,0]=4 1941 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,2,0,0,0,0|1,0,0]=3 1942 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,2,0,0,0,0|1,0,0]=3 1943 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,2,0,0,0,0|1,0,0]=3 1944 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,2,0,0,0,0|1,0,0]=3 1945 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,2,0,0,0,0|1,0,0]=3 1946 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,2,0,0,0,0|1,0,0]=3 1947 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,2,0,0,0,0|1,0,0]=3 1948 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,2,0,0,0,0|1,0,0]=3 1949 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,2,0,0,0,0|1,0,0]=3 1950 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,2,0,0,0,0|1,0,0]=3 1951 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,2,0,0,0,0|2,0,0]=4 1952 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [0,2,0,0,0,0|2,0,0]=4 1953 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,2,0,0,0,0|2,0,0]=4 1954 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,2,0,0,0,0|2,0,0]=4 1955 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,2,0,0,0,0|1,0,1]=4 1956 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,2,0,0,0,0|1,0,1]=4 1957 B7R0.11 CCCS(=O)(=O)NC 270084a_100102657272_100000211391 [0,2,0,0,0,0|1,0,1]=4 1958 B7R0.11 CCCS(=O)(=O)NC 274078a_100102657272_100000211391 [0,2,0,0,0,0|1,0,1]=4 1959 B7R0.11 CCCS(=O)(=O)NC 40a_100102657272_100000054278 [0,2,0,0,0,0|1,0,1]=4 1960 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [0,2,0,0,0,0|1,0,1]=4 1961 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [0,2,0,0,0,0|1,0,1]=4 1962 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [0,2,0,0,0,0|1,0,1]=4 1963 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [0,2,0,0,0,0|1,0,1]=4 1964 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,2,0,0,0,0|1,0,1]=4 1965 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,2,0,0,0,0|1,0,1]=4 1966 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,2,0,0,0,0|1,0,1]=4 1967 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,2,0,0,0,0|1,0,1]=4 1968 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [0,2,0,0,0,0|1,0,1]=4 1969 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [0,2,0,0,0,0|1,0,1]=4 1970 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [0,2,0,0,0,0|1,0,1]=4 1971 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [0,2,0,0,0,0|1,0,1]=4 1972 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,2,0,0,0,0|1,0,1]=4 1973 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,2,0,0,0,0|1,0,1]=4 1974 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,2,0,0,0,0|1,0,1]=4 1975 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,2,0,0,0,0|1,0,1]=4 1976 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,2,0,0,0,0|1,0,1]=4 1977 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,2,0,0,0,0|1,0,1]=4 1978 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,2,0,0,0,0|1,0,1]=4 1979 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,2,0,0,0,0|1,0,1]=4 1980 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,2,0,0,0,0|1,0,0]=3 1981 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,2,0,0,0,0|1,0,0]=3 1982 B7R0.9 CC(=O)CC(F)(F)F 1458a_100000245130_200000210301 [0,2,0,0,0,0|2,0,0]=4 1983 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,2,0,0,0,0|2,0,0]=4 1984 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,2,0,0,0,0|2,0,0]=4 1985 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,2,0,0,0,0|1,1,0]=4 1986 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,2,0,0,0,0|1,1,0]=4 1987 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,2,0,0,0,0|2,0,0]=4 1988 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,2,0,0,0,0|2,0,0]=4 1989 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,2,0,0,0,0|2,0,0]=4 1990 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,2,0,0,0,0|2,0,0]=4 1991 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,2,0,0,0,0|1,0,0]=3 1992 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,2,0,0,0,0|1,0,0]=3 1993 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,2,0,0,0,0|2,0,0]=4 1994 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,2,0,0,0,0|2,0,0]=4 1995 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,2,0,0,0,0|1,1,0]=4 1996 B7R0.9 [13CH3]C(=O)CC(F)(F)F 1458a_100000245130_200025704644 [0,2,0,0,0,0|2,0,0]=4 1997 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,2,0,0,0,0|1,0,1]=4 1998 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,2,0,0,0,0|1,0,1]=4 1999 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,2,0,0,0,0|1,0,0]=3 2000 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,2,0,0,0,0|2,0,0]=4 2001 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,2,0,0,0,0|2,0,0]=4 2002 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,2,0,0,0,0|1,0,1]=4 2003 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,2,0,0,0,0|0,0,2]=4 2004 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,2,0,0,0,0|2,0,0]=4 2005 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,2,0,0,0,0|2,0,0]=4 2006 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,2,0,0,0,0|2,0,0]=4 2007 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,2,0,0,0,0|2,0,0]=4 2008 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,2,0,0,0,0|2,0,0]=4 2009 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,2,0,0,0,0|1,0,0]=3 2010 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,2,0,0,0,0|2,0,0]=4 2011 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,2,0,0,0,0|2,0,0]=4 2012 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,2,0,0,0,0|1,0,0]=3 2013 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,2,0,0,0,0|1,0,0]=3 2014 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,2,0,0,0,0|1,0,0]=3 2015 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,2,0,0,0,0|1,0,0]=3 2016 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,2,0,0,0,0|2,0,0]=4 2017 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,2,0,0,0,0|2,0,0]=4 2018 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,2,0,0,0,0|2,0,0]=4 2019 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [0,2,0,0,0,0|2,0,0]=4 2020 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,2,0,0,0,0|2,0,0]=4 2021 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,2,0,0,0,0|2,0,0]=4 2022 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,2,0,0,0,0|2,0,0]=4 2023 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,2,0,0,0,0|2,0,0]=4 2024 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,2,0,0,0,0|2,0,0]=4 2025 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [0,2,0,0,0,0|2,0,0]=4 2026 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,2,0,0,0,0|2,0,0]=4 2027 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [0,2,0,0,0,0|2,0,0]=4 2028 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [0,2,0,0,0,0|2,0,0]=4 2029 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [0,2,0,0,0,0|2,0,0]=4 2030 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [0,2,0,0,0,0|2,0,0]=4 2031 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [0,2,0,0,0,0|2,0,0]=4 2032 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [0,2,0,0,0,0|2,0,0]=4 2033 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,2,0,0,0,0|1,0,0]=3 2034 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,2,0,0,0,0|1,0,0]=3 2035 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,2,0,0,0,0|1,0,0]=3 2036 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,2,0,0,0,0|1,0,0]=3 2037 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,2,0,0,0,0|1,0,0]=3 2038 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,2,0,0,0,0|1,0,0]=3 2039 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,2,0,0,0,0|2,0,0]=4 2040 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [0,2,0,0,0,0|2,0,0]=4 2041 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [0,2,0,0,0,0|2,0,0]=4 2042 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [0,2,0,0,0,0|2,0,0]=4 2043 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [0,2,0,0,0,0|2,0,0]=4 2044 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [0,2,0,0,0,0|2,0,0]=4 2045 B7R0.13 CNC(F)(F)C(=O)N 7a_106832991635_100009811971 [0,2,0,0,0,0|2,0,0]=4 2046 B7R0.13 CNC(F)(F)C(=O)[O-] 34a_100102657272_100020612412 [0,2,0,0,0,0|1,0,1]=4 2047 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,2,0,0,0,0|2,0,0]=4 2048 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,2,0,0,0,0|2,0,0]=4 2049 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,2,0,0,0,0|2,0,0]=4 2050 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [0,2,0,0,0,0|2,0,0]=4 2051 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [0,2,0,0,0,0|2,0,0]=4 2052 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [0,2,0,0,0,0|2,0,0]=4 2053 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,2,0,0,0,0|2,0,0]=4 2054 B7R0.13 COC(F)(F)C(=O)[O-] 34a_100138415774_100020612412 [0,2,0,0,0,0|1,0,1]=4 2055 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,2,0,0,0,0|2,0,0]=4 2056 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,2,0,0,0,0|2,0,0]=4 2057 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [0,2,0,0,0,0|2,0,0]=4 2058 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [0,2,0,0,0,0|2,0,0]=4 2059 B7R0.13 CSC(F)(F)C(=O)N 62a_100009811971_200000210301 [0,2,0,0,0,0|2,0,0]=4 2060 B7R0.13 CSC(F)(F)C(=O)N 62a_200000210301_100009811971 [0,2,0,0,0,0|2,0,0]=4 2061 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_100000745680_200000210301 [0,2,0,0,0,0|1,0,1]=4 2062 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_200000210301_100000745680 [0,2,0,0,0,0|1,0,1]=4 2063 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_100009811971_200025704644 [0,2,0,0,0,0|2,0,0]=4 2064 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_200025704644_100009811971 [0,2,0,0,0,0|2,0,0]=4 2065 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_100000745680_200025704644 [0,2,0,0,0,0|1,0,1]=4 2066 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_200025704644_100000745680 [0,2,0,0,0,0|1,0,1]=4 2067 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,2,0,0,0,0|1,0,0]=3 2068 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,2,0,0,0,0|1,0,0]=3 2069 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,2,0,0,0,0|1,0,0]=3 2070 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,2,0,0,0,0|1,0,0]=3 2071 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,2,0,0,0,0|1,0,0]=3 2072 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,2,0,0,0,0|1,0,0]=3 2073 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,2,0,0,0,0|1,0,0]=3 2074 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,2,0,0,0,0|1,0,0]=3 2075 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,2,0,0,0,0|1,0,0]=3 2076 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,2,0,0,0,0|1,0,0]=3 2077 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,2,0,0,0,0|1,0,0]=3 2078 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,2,0,0,0,0|1,0,0]=3 2079 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,2,0,0,0,0|1,0,0]=3 2080 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,2,0,0,0,0|1,0,0]=3 2081 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,2,0,0,0,0|1,0,0]=3 2082 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,2,0,0,0,0|1,0,0]=3 2083 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,2,0,0,0,0|1,0,0]=3 2084 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,2,0,0,0,0|1,0,0]=3 2085 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,2,0,0,0,0|1,0,0]=3 2086 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,2,0,0,0,0|2,0,0]=4 2087 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,2,0,0,0,0|2,0,0]=4 2088 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,2,0,0,0,0|2,0,0]=4 2089 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,2,0,0,0,0|2,0,0]=4 2090 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,2,0,0,0,0|0,0,0]=2 2091 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,2,0,0,0,0|0,0,0]=2 2092 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,2,0,0,0,0|1,0,1]=4 2093 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,2,0,0,0,0|1,0,1]=4 2094 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,2,0,0,0,0|1,0,1]=4 2095 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,2,0,0,0,0|1,0,1]=4 2096 B7R0.15 CNC(C#N)C(=O)N 2230a_100000039599_200000210301 [0,2,0,0,0,0|2,0,0]=4 2097 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,2,0,0,0,0|1,0,0]=3 2098 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,2,0,0,0,0|2,0,0]=4 2099 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,2,0,0,0,0|2,0,0]=4 2100 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,2,0,0,0,0|2,0,0]=4 2101 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,2,0,0,0,0|2,0,0]=4 2102 B7R0.15 [13CH3]NC(C#N)C(=O)N 2230a_100000039599_200025704644 [0,2,0,0,0,0|2,0,0]=4 2103 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,2,0,0,0,0|1,0,0]=3 2104 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,2,0,0,0,0|2,0,0]=4 2105 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,2,0,0,0,0|2,0,0]=4 2106 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,2,0,0,0,0|1,0,0]=3 2107 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,2,0,0,0,0|1,0,0]=3 2108 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,2,0,0,0,0|1,0,0]=3 2109 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [0,2,0,0,0,0|1,0,1]=4 2110 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [0,2,0,0,0,0|1,0,1]=4 2111 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [0,2,0,0,0,0|1,0,1]=4 2112 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [0,2,0,0,0,0|1,0,1]=4 2113 B7R0.4 C#CCNCC(=O)N 2230a_100000711301_100000038162 [0,2,0,0,0,0|1,0,1]=4 2114 B7R0.4 C#CCNCC(=O)N 34a_100000212058_100000187820 [0,2,0,0,0,0|1,0,1]=4 2115 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,2,0,0,0,0|0,0,1]=3 2116 B7R0.4 C#CCNCC(=O)[O-] 34a_100000212058_100020667443 [0,2,0,0,0,0|0,0,2]=4 2117 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [0,2,0,0,0,0|1,0,1]=4 2118 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [0,2,0,0,0,0|1,0,1]=4 2119 B7R0.4 C#CCOCC(=O)N 34a_100000210247_100000187820 [0,2,0,0,0,0|1,0,1]=4 2120 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [0,2,0,0,0,0|1,0,1]=4 2121 B7R0.4 C#CCOCC(=O)[O-] 34a_100000210247_100020667443 [0,2,0,0,0,0|0,0,2]=4 2122 B7R0.4 C#CCSCC(=O)N 62a_100000038162_100000747473 [0,2,0,0,0,0|1,0,1]=4 2123 B7R0.4 C#CCSCC(=O)[O-] 62a_100000038162_100020667443 [0,2,0,0,0,0|0,0,2]=4 2124 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,2,0,0,0,0|2,0,0]=4 2125 B7R0.4 C=C(Br)CCOCF 34a_100009813270_100015361967 [0,2,0,0,0,0|2,0,0]=4 2126 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,2,0,0,0,0|2,0,0]=4 2127 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,2,0,0,0,0|2,0,0]=4 2128 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,2,0,0,0,0|2,0,0]=4 2129 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,2,0,0,0,0|2,0,0]=4 2130 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,2,0,0,0,0|2,0,0]=4 2131 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,2,0,0,0,0|2,0,0]=4 2132 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,2,0,0,0,0|2,0,0]=4 2133 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,2,0,0,0,0|2,0,0]=4 2134 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [0,2,0,0,0,0|2,0,0]=4 2135 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,2,0,0,0,0|2,0,0]=4 2136 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,2,0,0,0,0|2,0,0]=4 2137 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [0,2,0,0,0,0|2,0,0]=4 2138 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,2,0,0,0,0|2,0,0]=4 2139 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,2,0,0,0,0|2,0,0]=4 2140 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [0,2,0,0,0,0|2,0,0]=4 2141 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,2,0,0,0,0|2,0,0]=4 2142 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,2,0,0,0,0|2,0,0]=4 2143 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [0,2,0,0,0,0|2,0,0]=4 2144 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,2,0,0,0,0|2,0,0]=4 2145 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,2,0,0,0,0|2,0,0]=4 2146 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,2,0,0,0,0|2,0,0]=4 2147 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,2,0,0,0,0|2,0,0]=4 2148 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,2,0,0,0,0|2,0,0]=4 2149 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,2,0,0,0,0|2,0,0]=4 2150 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [0,2,0,0,0,0|2,0,0]=4 2151 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [0,2,0,0,0,0|2,0,0]=4 2152 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,2,0,0,0,0|2,0,0]=4 2153 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,2,0,0,0,0|2,0,0]=4 2154 B7R0.4 C=C(F)CNCCF 34a_100000724931_100009893438 [0,2,0,0,0,0|2,0,0]=4 2155 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [0,2,0,0,0,0|2,0,0]=4 2156 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [0,2,0,0,0,0|2,0,0]=4 2157 B7R0.4 C=C(F)COCCBr 34a_100000211926_100009893438 [0,2,0,0,0,0|2,0,0]=4 2158 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,2,0,0,0,0|2,0,0]=4 2159 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,2,0,0,0,0|2,0,0]=4 2160 B7R0.4 C=C(F)COCCF 34a_200010262243_100011217306 [0,2,0,0,0,0|2,0,0]=4 2161 B7R0.4 C=C(F)COCCN 34a_100000210304_100009893438 [0,2,0,0,0,0|2,0,0]=4 2162 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [0,2,0,0,0,0|2,0,0]=4 2163 B7R0.4 C=C(F)COCSC 34a_200010262243_100011218213 [0,2,0,0,0,0|2,0,0]=4 2164 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,2,0,0,0,0|2,0,0]=4 2165 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,2,0,0,0,0|2,0,0]=4 2166 B7R0.4 C=C(F)CSCCF 62a_100000042424_100011217306 [0,2,0,0,0,0|2,0,0]=4 2167 B7R0.4 C=C(F)CSCCF 62a_100011217306_100000042424 [0,2,0,0,0,0|2,0,0]=4 2168 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [0,2,0,0,0,0|2,0,0]=4 2169 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [0,2,0,0,0,0|2,0,0]=4 2170 B7R0.4 C=C(F)CSCOC 62a_100000042424_100000766300 [0,2,0,0,0,0|2,0,0]=4 2171 B7R0.4 C=C(F)CSCOC 62a_100000766300_100000042424 [0,2,0,0,0,0|2,0,0]=4 2172 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [0,2,0,0,0,0|2,0,0]=4 2173 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [0,2,0,0,0,0|2,0,0]=4 2174 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,2,0,0,0,0|1,0,0]=3 2175 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,2,0,0,0,0|1,0,0]=3 2176 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,2,0,0,0,0|1,0,0]=3 2177 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,2,0,0,0,0|1,0,1]=4 2178 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,2,0,0,0,0|1,0,1]=4 2179 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,2,0,0,0,0|1,0,1]=4 2180 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,2,0,0,0,0|1,0,1]=4 2181 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,2,0,0,0,0|1,0,1]=4 2182 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,2,0,0,0,0|1,0,1]=4 2183 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,2,0,0,0,0|0,0,1]=3 2184 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,2,0,0,0,0|1,0,1]=4 2185 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,2,0,0,0,0|1,0,1]=4 2186 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,2,0,0,0,0|0,0,2]=4 2187 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,2,0,0,0,0|1,0,1]=4 2188 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,2,0,0,0,0|1,0,1]=4 2189 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,2,0,0,0,0|1,0,1]=4 2190 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,2,0,0,0,0|1,0,1]=4 2191 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [0,2,0,0,0,0|0,0,2]=4 2192 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [0,2,0,0,0,0|0,0,2]=4 2193 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,2,0,0,0,0|1,0,1]=4 2194 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [0,2,0,0,0,0|1,0,1]=4 2195 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [0,2,0,0,0,0|1,0,1]=4 2196 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [0,2,0,0,0,0|1,0,1]=4 2197 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,2,0,0,0,0|2,0,0]=4 2198 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,2,0,0,0,0|2,0,0]=4 2199 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [0,2,0,0,0,0|1,0,1]=4 2200 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,2,0,0,0,0|1,0,0]=3 2201 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,2,0,0,0,0|1,0,0]=3 2202 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,2,0,0,0,0|1,0,0]=3 2203 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,2,0,0,0,0|1,0,0]=3 2204 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,2,0,0,0,0|1,0,0]=3 2205 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,2,0,0,0,0|1,0,0]=3 2206 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,2,0,0,0,0|1,0,0]=3 2207 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,2,0,0,0,0|1,0,0]=3 2208 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,2,0,0,0,0|1,0,0]=3 2209 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [0,2,0,0,0,0|2,0,0]=4 2210 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,2,0,0,0,0|1,0,0]=3 2211 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,2,0,0,0,0|1,0,0]=3 2212 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,2,0,0,0,0|1,0,0]=3 2213 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,2,0,0,0,0|1,0,0]=3 2214 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,2,0,0,0,0|1,0,1]=4 2215 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,2,0,0,0,0|1,0,0]=3 2216 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,2,0,0,0,0|1,0,0]=3 2217 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,2,0,0,0,0|1,0,0]=3 2218 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [0,2,0,0,0,0|1,0,1]=4 2219 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [0,2,0,0,0,0|1,0,1]=4 2220 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [0,2,0,0,0,0|1,0,1]=4 2221 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [0,2,0,0,0,0|1,0,1]=4 2222 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [0,2,0,0,0,0|1,0,1]=4 2223 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,2,0,0,0,0|1,0,0]=3 2224 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,2,0,0,0,0|1,0,0]=3 2225 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,2,0,0,0,0|1,0,0]=3 2226 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,2,0,0,0,0|1,0,0]=3 2227 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,2,0,0,0,0|1,0,0]=3 2228 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,2,0,0,0,0|1,0,0]=3 2229 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,2,0,0,0,0|1,0,0]=3 2230 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,2,0,0,0,0|1,0,0]=3 2231 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,2,0,0,0,0|1,0,0]=3 2232 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,2,0,0,0,0|1,0,0]=3 2233 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,2,0,0,0,0|2,0,0]=4 2234 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,2,0,0,0,0|1,0,0]=3 2235 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,2,0,0,0,0|1,0,0]=3 2236 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [0,2,0,0,0,0|2,0,0]=4 2237 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [0,2,0,0,0,0|2,0,0]=4 2238 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,2,0,0,0,0|1,0,1]=4 2239 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,2,0,0,0,0|1,0,1]=4 2240 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,2,0,0,0,0|1,0,1]=4 2241 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,2,0,0,0,0|1,0,1]=4 2242 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [0,2,0,0,0,0|1,0,1]=4 2243 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [0,2,0,0,0,0|1,0,1]=4 2244 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [0,2,0,0,0,0|1,0,1]=4 2245 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,2,0,0,0,0|1,0,1]=4 2246 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,2,0,0,0,0|1,0,1]=4 2247 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,2,0,0,0,0|1,0,1]=4 2248 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,2,0,0,0,0|1,0,1]=4 2249 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [0,2,0,0,0,0|1,0,1]=4 2250 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [0,2,0,0,0,0|1,0,1]=4 2251 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [0,2,0,0,0,0|1,0,1]=4 2252 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [0,2,0,0,0,0|1,0,1]=4 2253 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,2,0,0,0,0|1,0,1]=4 2254 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,2,0,0,0,0|1,0,1]=4 2255 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,2,0,0,0,0|1,0,0]=3 2256 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,2,0,0,0,0|1,0,0]=3 2257 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,2,0,0,0,0|1,0,0]=3 2258 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,2,0,0,0,0|1,0,0]=3 2259 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,2,0,0,0,0|1,0,1]=4 2260 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,2,0,0,0,0|1,0,0]=3 2261 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,2,0,0,0,0|1,0,0]=3 2262 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,2,0,0,0,0|1,0,0]=3 2263 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,2,0,0,0,0|1,0,0]=3 2264 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,2,0,0,0,0|1,0,0]=3 2265 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,2,0,0,0,0|1,0,0]=3 2266 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,2,0,0,0,0|1,0,0]=3 2267 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,2,0,0,0,0|1,0,0]=3 2268 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,2,0,0,0,0|1,0,0]=3 2269 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,2,0,0,0,0|1,0,0]=3 2270 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,2,0,0,0,0|1,0,0]=3 2271 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,2,0,0,0,0|1,0,0]=3 2272 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,2,0,0,0,0|0,0,0]=2 2273 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,2,0,0,0,0|1,0,1]=4 2274 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,2,0,0,0,0|1,0,1]=4 2275 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,2,0,0,0,0|1,0,0]=3 2276 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,2,0,0,0,0|1,0,0]=3 2277 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,2,0,0,0,0|1,0,0]=3 2278 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,2,0,0,0,0|1,0,0]=3 2279 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,2,0,0,0,0|1,0,0]=3 2280 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,2,0,0,0,0|0,0,1]=3 2281 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,2,0,0,0,0|1,0,1]=4 2282 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,2,0,0,0,0|1,0,1]=4 2283 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,2,0,0,0,0|1,0,1]=4 2284 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,2,0,0,0,0|1,0,0]=3 2285 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,2,0,0,0,0|1,0,0]=3 2286 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,2,0,0,0,0|1,0,0]=3 2287 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,2,0,0,0,0|1,0,0]=3 2288 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,2,0,0,0,0|0,0,1]=3 2289 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,2,0,0,0,0|0,0,1]=3 2290 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,2,0,0,0,0|1,0,1]=4 2291 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,2,0,0,0,0|1,0,1]=4 2292 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,2,0,0,0,0|1,0,1]=4 2293 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,2,0,0,0,0|1,0,1]=4 2294 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,2,0,0,0,0|1,0,1]=4 2295 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [0,2,0,0,0,0|2,0,0]=4 2296 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [0,2,0,0,0,0|2,0,0]=4 2297 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,2,0,0,0,0|1,0,0]=3 2298 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,2,0,0,0,0|1,0,1]=4 2299 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,2,0,0,0,0|1,0,1]=4 2300 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,2,0,0,0,0|0,0,0]=2 2301 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,2,0,0,0,0|1,0,1]=4 2302 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,2,0,0,0,0|1,0,1]=4 2303 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,2,0,0,0,0|2,0,0]=4 2304 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,2,0,0,0,0|2,0,0]=4 2305 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,2,0,0,0,0|1,0,0]=3 2306 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,2,0,0,0,0|1,0,0]=3 2307 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,2,0,0,0,0|1,0,0]=3 2308 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,2,0,0,0,0|1,0,0]=3 2309 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,2,0,0,0,0|1,0,0]=3 2310 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,2,0,0,0,0|1,0,0]=3 2311 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,2,0,0,0,0|1,0,0]=3 2312 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,2,0,0,0,0|1,0,0]=3 2313 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,2,0,0,0,0|1,0,1]=4 2314 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,2,0,0,0,0|1,0,0]=3 2315 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,2,0,0,0,0|2,0,0]=4 2316 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,2,0,0,0,0|2,0,0]=4 2317 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,2,0,0,0,0|1,0,0]=3 2318 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,2,0,0,0,0|1,0,0]=3 2319 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,2,0,0,0,0|1,0,0]=3 2320 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,2,0,0,0,0|1,0,0]=3 2321 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,2,0,0,0,0|1,0,0]=3 2322 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,2,0,0,0,0|1,0,0]=3 2323 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,2,0,0,0,0|1,0,0]=3 2324 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,2,0,0,0,0|1,0,1]=4 2325 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,2,0,0,0,0|1,0,1]=4 2326 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,2,0,0,0,0|1,0,0]=3 2327 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,2,0,0,0,0|1,0,0]=3 2328 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,2,0,0,0,0|2,0,0]=4 2329 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,2,0,0,0,0|2,0,0]=4 2330 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,2,0,0,0,0|2,0,0]=4 2331 B7R0.4 CNCCC=C(F)F 2230a_106832991635_200009816681 [0,2,0,0,0,0|2,0,0]=4 2332 B7R0.4 CNCCC=C(F)F 34a_100102657272_200009816681 [0,2,0,0,0,0|2,0,0]=4 2333 B7R0.4 CNCCC=C(F)F 7a_106832991635_200009816681 [0,2,0,0,0,0|2,0,0]=4 2334 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,2,0,0,0,0|1,0,0]=3 2335 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,2,0,0,0,0|1,0,0]=3 2336 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,2,0,0,0,0|1,0,0]=3 2337 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,2,0,0,0,0|1,0,0]=3 2338 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,2,0,0,0,0|1,0,0]=3 2339 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,2,0,0,0,0|1,0,1]=4 2340 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,2,0,0,0,0|1,0,1]=4 2341 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,2,0,0,0,0|1,0,1]=4 2342 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,2,0,0,0,0|2,0,0]=4 2343 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,2,0,0,0,0|1,0,0]=3 2344 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,2,0,0,0,0|1,0,0]=3 2345 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,2,0,0,0,0|1,0,0]=3 2346 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,2,0,0,0,0|1,0,0]=3 2347 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,2,0,0,0,0|1,0,0]=3 2348 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,2,0,0,0,0|1,0,0]=3 2349 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,2,0,0,0,0|1,0,0]=3 2350 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,2,0,0,0,0|1,0,0]=3 2351 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,2,0,0,0,0|1,0,0]=3 2352 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,2,0,0,0,0|1,0,0]=3 2353 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,2,0,0,0,0|1,0,1]=4 2354 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,2,0,0,0,0|1,0,1]=4 2355 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,2,0,0,0,0|2,0,0]=4 2356 B7R0.4 COCCC=C(F)F 34a_100138415774_200009816681 [0,2,0,0,0,0|2,0,0]=4 2357 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,2,0,0,0,0|1,0,0]=3 2358 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,2,0,0,0,0|1,0,0]=3 2359 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,2,0,0,0,0|1,0,0]=3 2360 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,2,0,0,0,0|1,0,0]=3 2361 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,2,0,0,0,0|1,0,0]=3 2362 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,2,0,0,0,0|1,0,0]=3 2363 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,2,0,0,0,0|1,0,0]=3 2364 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,2,0,0,0,0|1,0,1]=4 2365 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [0,2,0,0,0,0|1,0,1]=4 2366 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,2,0,0,0,0|1,0,0]=3 2367 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,2,0,0,0,0|1,0,0]=3 2368 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,2,0,0,0,0|1,0,0]=3 2369 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,2,0,0,0,0|1,0,0]=3 2370 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,2,0,0,0,0|1,0,0]=3 2371 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,2,0,0,0,0|1,0,0]=3 2372 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,2,0,0,0,0|1,0,0]=3 2373 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,2,0,0,0,0|1,0,0]=3 2374 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,2,0,0,0,0|1,0,0]=3 2375 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,2,0,0,0,0|0,0,0]=2 2376 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,2,0,0,0,0|1,0,1]=4 2377 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,2,0,0,0,0|1,0,0]=3 2378 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,2,0,0,0,0|1,0,0]=3 2379 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,2,0,0,0,0|0,0,1]=3 2380 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,2,0,0,0,0|0,0,1]=3 2381 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [0,2,0,0,0,0|1,0,1]=4 2382 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [0,2,0,0,0,0|1,0,1]=4 2383 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [0,2,0,0,0,0|1,0,1]=4 2384 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [0,2,0,0,0,0|1,0,1]=4 2385 B7R0.4 COCSC[N+](=O)[O-] 62a_100000766300_100000761209 [0,2,0,0,0,0|1,0,1]=4 2386 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,2,0,0,0,0|2,0,0]=4 2387 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,2,0,0,0,0|2,0,0]=4 2388 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,2,0,0,0,0|2,0,0]=4 2389 B7R0.4 CSCCC=C(F)F 62a_200000210301_200009816681 [0,2,0,0,0,0|2,0,0]=4 2390 B7R0.4 CSCCC=C(F)F 62a_200009816681_200000210301 [0,2,0,0,0,0|2,0,0]=4 2391 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,2,0,0,0,0|1,0,0]=3 2392 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,2,0,0,0,0|1,0,0]=3 2393 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,2,0,0,0,0|1,0,0]=3 2394 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,2,0,0,0,0|1,0,0]=3 2395 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,2,0,0,0,0|1,0,0]=3 2396 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,2,0,0,0,0|1,0,0]=3 2397 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,2,0,0,0,0|1,0,1]=4 2398 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,2,0,0,0,0|1,0,1]=4 2399 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,2,0,0,0,0|1,0,0]=3 2400 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,2,0,0,0,0|1,0,0]=3 2401 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,2,0,0,0,0|1,0,0]=3 2402 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,2,0,0,0,0|1,0,0]=3 2403 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,2,0,0,0,0|1,0,0]=3 2404 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,2,0,0,0,0|1,0,0]=3 2405 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,2,0,0,0,0|1,0,0]=3 2406 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,2,0,0,0,0|1,0,0]=3 2407 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,2,0,0,0,0|1,0,0]=3 2408 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,2,0,0,0,0|1,0,0]=3 2409 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,2,0,0,0,0|1,0,0]=3 2410 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,2,0,0,0,0|1,0,0]=3 2411 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,2,0,0,0,0|1,0,0]=3 2412 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,2,0,0,0,0|0,0,0]=2 2413 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,2,0,0,0,0|1,0,1]=4 2414 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,2,0,0,0,0|1,0,1]=4 2415 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,2,0,0,0,0|1,0,0]=3 2416 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,2,0,0,0,0|1,0,0]=3 2417 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,2,0,0,0,0|1,0,0]=3 2418 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,2,0,0,0,0|0,0,1]=3 2419 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,2,0,0,0,0|0,0,1]=3 2420 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [0,2,0,0,0,0|1,0,1]=4 2421 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [0,2,0,0,0,0|1,0,1]=4 2422 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [0,2,0,0,0,0|1,0,1]=4 2423 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [0,2,0,0,0,0|1,0,1]=4 2424 B7R0.4 CSCSC[N+](=O)[O-] 62a_100011218213_100000761209 [0,2,0,0,0,0|1,0,1]=4 2425 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [0,2,0,0,0,0|1,0,1]=4 2426 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,2,0,0,0,0|1,0,1]=4 2427 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,2,0,0,0,0|1,0,1]=4 2428 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [0,2,0,0,0,0|1,0,1]=4 2429 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [0,2,0,0,0,0|1,0,1]=4 2430 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [0,2,0,0,0,0|1,0,1]=4 2431 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [0,2,0,0,0,0|1,0,1]=4 2432 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,2,0,0,0,0|1,0,1]=4 2433 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,2,0,0,0,0|1,0,1]=4 2434 B7R0.4 N#CCNCC(=O)N 2230a_100000711301_100011215382 [0,2,0,0,0,0|1,0,1]=4 2435 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,2,0,0,0,0|0,0,1]=3 2436 B7R0.4 N#CCSCC(=O)N 62a_100000747473_100011215382 [0,2,0,0,0,0|1,0,1]=4 2437 B7R0.4 N#CCSCC(=O)N 62a_100011215382_100000747473 [0,2,0,0,0,0|1,0,1]=4 2438 B7R0.4 N#CCSCC(=O)[O-] 62a_100011215382_100020667443 [0,2,0,0,0,0|0,0,2]=4 2439 B7R0.4 N#CCSCC(=O)[O-] 62a_100020667443_100011215382 [0,2,0,0,0,0|0,0,2]=4 2440 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,2,0,0,0,0|1,0,0]=3 2441 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,2,0,0,0,0|1,0,0]=3 2442 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,2,0,0,0,0|1,0,0]=3 2443 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,2,0,0,0,0|1,0,0]=3 2444 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,2,0,0,0,0|1,0,1]=4 2445 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,2,0,0,0,0|1,0,0]=3 2446 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,2,0,0,0,0|1,0,0]=3 2447 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,2,0,0,0,0|1,0,0]=3 2448 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,2,0,0,0,0|1,0,0]=3 2449 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,2,0,0,0,0|1,0,0]=3 2450 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,2,0,0,0,0|1,0,0]=3 2451 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,2,0,0,0,0|1,0,1]=4 2452 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,2,0,0,0,0|1,0,1]=4 2453 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,2,0,0,0,0|1,0,0]=3 2454 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,2,0,0,0,0|1,0,0]=3 2455 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,2,0,0,0,0|1,0,0]=3 2456 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,2,0,0,0,0|1,0,0]=3 2457 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,2,0,0,0,0|1,0,0]=3 2458 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,2,0,0,0,0|0,0,1]=3 2459 B7R0.4 NCCOC[N+](=O)[O-] 34a_100000210304_100000761209 [0,2,0,0,0,0|1,0,1]=4 2460 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,2,0,0,0,0|0,0,0]=2 2461 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,2,0,0,0,0|0,0,0]=2 2462 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [0,2,0,0,0,0|1,0,0]=3 2463 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,2,0,0,0,0|0,0,1]=3 2464 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,2,0,0,0,0|0,0,1]=3 2465 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,2,0,0,0,0|0,0,1]=3 2466 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,2,0,0,0,0|0,0,1]=3 2467 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,2,0,0,0,0|0,0,1]=3 2468 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,2,0,0,0,0|0,0,1]=3 2469 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,2,0,0,0,0|0,0,1]=3 2470 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,2,0,0,0,0|0,0,1]=3 2471 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [0,2,0,0,0,0|0,0,2]=4 2472 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [0,2,0,0,0,0|0,0,2]=4 2473 B7R0.4 O=[N+]([O-])CNCCF 34a_100000724931_100000761209 [0,2,0,0,0,0|1,0,1]=4 2474 B7R0.4 O=[N+]([O-])CNCCO 34a_100016990907_100000761209 [0,2,0,0,0,0|1,0,1]=4 2475 B7R0.4 O=[N+]([O-])COCCBr 34a_100000211926_100000761209 [0,2,0,0,0,0|1,0,1]=4 2476 B7R0.4 O=[N+]([O-])CSCCF 62a_100011217306_100000761209 [0,2,0,0,0,0|1,0,1]=4 2477 B7R0.4 O=[N+]([O-])CSCCO 62a_100000211926_100000761209 [0,2,0,0,0,0|1,0,1]=4 2478 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,2,0,0,0,0|1,0,0]=3 2479 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,2,0,0,0,0|1,0,0]=3 2480 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [0,2,0,0,0,0|2,0,0]=4 2481 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,2,0,0,0,0|1,0,0]=3 2482 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [0,2,0,0,0,0|1,0,1]=4 2483 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,2,0,0,0,0|1,0,0]=3 2484 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,2,0,0,0,0|1,0,0]=3 2485 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [0,2,0,0,0,0|1,0,1]=4 2486 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,2,0,0,0,0|1,0,0]=3 2487 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,2,0,0,0,0|1,0,0]=3 2488 B7R0.4 [13CH3]SCCC=C(F)F 62a_200009816681_200025704644 [0,2,0,0,0,0|2,0,0]=4 2489 B7R0.4 [13CH3]SCCC=C(F)F 62a_200025704644_200009816681 [0,2,0,0,0,0|2,0,0]=4 2490 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,2,0,0,0,0|1,0,0]=3 2491 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,2,0,0,0,0|1,0,0]=3 2492 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,2,0,0,0,0|1,0,0]=3 2493 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,2,0,0,0,0|1,0,0]=3 2494 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,2,0,0,0,0|1,0,0]=3 2495 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,2,0,0,0,0|1,0,0]=3 2496 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,2,0,0,0,0|1,0,0]=3 2497 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,2,0,0,0,0|1,0,0]=3 2498 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,2,0,0,0,0|1,0,0]=3 2499 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,2,0,0,0,0|2,0,0]=4 2500 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,2,0,0,0,0|2,0,0]=4 2501 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,2,0,0,0,0|1,0,1]=4 2502 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,2,0,0,0,0|1,0,1]=4 2503 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,2,0,0,0,0|1,0,1]=4 2504 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,2,0,0,0,0|1,0,1]=4 2505 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,2,0,0,0,0|2,0,0]=4 2506 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,2,0,0,0,0|2,0,0]=4 2507 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,2,0,0,0,0|2,0,0]=4 2508 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,2,0,0,0,0|2,0,0]=4 2509 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,2,0,0,0,0|2,0,0]=4 2510 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,2,0,0,0,0|2,0,0]=4 2511 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,2,0,0,0,0|2,0,0]=4 2512 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,2,0,0,0,0|2,0,0]=4 2513 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,2,0,0,0,0|2,0,0]=4 2514 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,2,0,0,0,0|2,0,0]=4 2515 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,2,0,0,0,0|2,0,0]=4 2516 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,2,0,0,0,0|2,0,0]=4 2517 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,2,0,0,0,0|1,0,1]=4 2518 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,2,0,0,0,0|1,0,1]=4 2519 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,2,0,0,0,0|1,0,1]=4 2520 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,2,0,0,0,0|1,0,1]=4 2521 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,2,0,0,0,0|1,0,0]=3 2522 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,2,0,0,0,0|1,0,0]=3 2523 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,2,0,0,0,0|1,0,0]=3 2524 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,2,0,0,0,0|1,0,0]=3 2525 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,2,0,0,0,0|1,0,0]=3 2526 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,2,0,0,0,0|1,0,1]=4 2527 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,2,0,0,0,0|1,0,0]=3 2528 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,2,0,0,0,0|1,0,1]=4 2529 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,2,0,0,0,0|1,0,1]=4 2530 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,2,0,0,0,0|1,0,1]=4 2531 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,2,0,0,0,0|1,0,0]=3 2532 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,2,0,0,0,0|1,0,0]=3 2533 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,2,0,0,0,0|2,0,0]=4 2534 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,2,0,0,0,0|1,0,1]=4 2535 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,2,0,0,0,0|1,0,0]=3 2536 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [0,2,0,0,0,0|2,0,0]=4 2537 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,2,0,0,0,0|1,0,1]=4 2538 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,2,0,0,0,0|1,0,1]=4 2539 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,2,0,0,0,0|1,0,1]=4 2540 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,2,0,0,0,0|1,0,1]=4 2541 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,2,0,0,0,0|1,0,0]=3 2542 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,2,0,0,0,0|1,0,0]=3 2543 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,2,0,0,0,0|1,0,0]=3 2544 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,2,0,0,0,0|1,0,0]=3 2545 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,2,0,0,0,0|1,0,0]=3 2546 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,2,0,0,0,0|1,0,0]=3 2547 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,2,0,0,0,0|1,0,0]=3 2548 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [0,2,0,0,0,0|2,0,0]=4 2549 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [0,2,0,0,0,0|2,0,0]=4 2550 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [0,2,0,0,0,0|2,0,0]=4 2551 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [0,2,0,0,0,0|2,0,0]=4 2552 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,2,0,0,0,0|2,0,0]=4 2553 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,2,0,0,0,0|1,0,1]=4 2554 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,2,0,0,0,0|2,0,0]=4 2555 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,2,0,0,0,0|1,0,1]=4 2556 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,2,0,0,0,0|1,0,1]=4 2557 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,2,0,0,0,0|1,0,0]=3 2558 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,2,0,0,0,0|1,0,0]=3 2559 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,2,0,0,0,0|1,0,0]=3 2560 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,2,0,0,0,0|1,0,0]=3 2561 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,2,0,0,0,0|0,0,0]=2 2562 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,2,0,0,0,0|0,0,1]=3 2563 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,2,0,0,0,0|1,0,1]=4 2564 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,2,0,0,0,0|1,0,1]=4 2565 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [0,2,0,0,0,0|1,0,1]=4 2566 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,2,0,0,0,0|1,0,0]=3 2567 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,2,0,0,0,0|1,0,0]=3 2568 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,2,0,0,0,0|0,0,1]=3 2569 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,2,0,0,0,0|1,0,1]=4 2570 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [0,2,0,0,0,0|1,0,1]=4 2571 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,2,0,0,0,0|1,0,0]=3 2572 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,2,0,0,0,0|1,0,0]=3 2573 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,2,0,0,0,0|1,0,0]=3 2574 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,2,0,0,0,0|0,0,1]=3 2575 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,2,0,0,0,0|0,0,1]=3 2576 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,2,0,0,0,0|1,0,1]=4 2577 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,2,0,0,0,0|1,0,1]=4 2578 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [0,2,0,0,0,0|1,0,1]=4 2579 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,2,0,0,0,0|1,0,1]=4 2580 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,2,0,0,0,0|1,0,1]=4 2581 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,2,0,0,0,0|1,0,1]=4 2582 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,2,0,0,0,0|1,0,1]=4 2583 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,2,0,0,0,0|1,0,1]=4 2584 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,2,0,0,0,0|1,0,1]=4 2585 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,2,0,0,0,0|1,0,1]=4 2586 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,2,0,0,0,0|1,0,1]=4 2587 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,2,0,0,0,0|1,0,1]=4 2588 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,2,0,0,0,0|1,0,0]=3 2589 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,2,0,0,0,0|1,0,0]=3 2590 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,2,0,0,0,0|1,0,0]=3 2591 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,2,0,0,0,0|1,0,0]=3 2592 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,2,0,0,0,0|1,0,0]=3 2593 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,2,0,0,0,0|1,0,0]=3 2594 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,2,0,0,0,0|1,0,1]=4 2595 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,2,0,0,0,0|1,0,1]=4 2596 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,2,0,0,0,0|2,0,0]=4 2597 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [0,2,0,0,0,0|2,0,0]=4 2598 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [0,2,0,0,0,0|1,0,1]=4 2599 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [0,2,0,0,0,0|1,0,1]=4 2600 B7R0.8 CCCNS(=O)(=O)C 40a_100020643023_100000738038 [0,2,0,0,0,0|1,0,1]=4 2601 B7R0.8 CCNCC(C)(C)O 2230a_100000751335_100000210202 [0,2,0,0,0,0|1,0,1]=4 2602 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [0,2,0,0,0,0|1,0,1]=4 2603 B7R0.8 CCOCS(=O)(=O)[O-] 34a_100121572206_100009817235 [0,2,0,0,0,0|1,0,1]=4 2604 B7R0.8 CCSCC(C)(C)O 62a_100000210202_100000764493 [0,2,0,0,0,0|1,0,1]=4 2605 B7R0.8 CCSCC(C)(C)O 62a_100000764493_100000210202 [0,2,0,0,0,0|1,0,1]=4 2606 B7R0.8 CCSCS(=O)(=O)N 62a_100000210202_100000741382 [0,2,0,0,0,0|1,0,1]=4 2607 B7R0.8 CCSCS(=O)(=O)N 62a_100000741382_100000210202 [0,2,0,0,0,0|1,0,1]=4 2608 B7R0.8 CCSCS(=O)(=O)[O-] 62a_100000210202_100009817235 [0,2,0,0,0,0|1,0,1]=4 2609 B7R0.8 CCSCS(=O)(=O)[O-] 62a_100009817235_100000210202 [0,2,0,0,0,0|1,0,1]=4 2610 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [0,2,0,0,0,0|1,0,1]=4 2611 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [0,2,0,0,0,0|1,0,1]=4 2612 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [0,2,0,0,0,0|1,0,1]=4 2613 B7R0.8 CNCCS(=O)(=O)C 2230a_100000740961_200000210301 [0,2,0,0,0,0|1,0,1]=4 2614 B7R0.8 CNCCS(=O)(=O)C 2230a_106832991635_100000731031 [0,2,0,0,0,0|1,0,1]=4 2615 B7R0.8 CNCCS(=O)(=O)C 34a_100000740961_200000210301 [0,2,0,0,0,0|1,0,1]=4 2616 B7R0.8 CNCCS(=O)(=O)C 34a_100102657272_100000731031 [0,2,0,0,0,0|1,0,1]=4 2617 B7R0.8 CNCCS(=O)(=O)C 7a_106832991635_100000230027 [0,2,0,0,0,0|1,0,1]=4 2618 B7R0.8 CNCCS(=O)(=O)N 2230a_100000738205_200000210301 [0,2,0,0,0,0|1,0,1]=4 2619 B7R0.8 CNCCS(=O)(=O)N 34a_100000738205_200000210301 [0,2,0,0,0,0|1,0,1]=4 2620 B7R0.8 CNCCS(=O)(=O)[O-] 2230a_106832991635_100000737633 [0,2,0,0,0,0|1,0,1]=4 2621 B7R0.8 CNCCS(=O)(=O)[O-] 34a_100102657272_100000762736 [0,2,0,0,0,0|1,0,1]=4 2622 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [0,2,0,0,0,0|1,0,1]=4 2623 B7R0.8 COCCS(=O)(=O)C 34a_100000211924_200000210301 [0,2,0,0,0,0|1,0,1]=4 2624 B7R0.8 COCCS(=O)(=O)C 34a_100138415774_100000731031 [0,2,0,0,0,0|1,0,1]=4 2625 B7R0.8 COCCS(=O)(=O)C 7a_100000211924_200000210301 [0,2,0,0,0,0|1,0,1]=4 2626 B7R0.8 COCCS(=O)(=O)N 34a_100012334274_200000210301 [0,2,0,0,0,0|1,0,1]=4 2627 B7R0.8 COCCS(=O)(=O)[O-] 34a_100138415774_100000762736 [0,2,0,0,0,0|1,0,1]=4 2628 B7R0.8 CS(=O)(=O)CCN[13CH3] 2230a_100000740961_200025704644 [0,2,0,0,0,0|1,0,1]=4 2629 B7R0.8 CS(=O)(=O)CCN[13CH3] 34a_100000740961_200025704644 [0,2,0,0,0,0|1,0,1]=4 2630 B7R0.8 CS(=O)(=O)CCO[13CH3] 34a_100000211924_200025704644 [0,2,0,0,0,0|1,0,1]=4 2631 B7R0.8 CS(=O)(=O)CCO[13CH3] 7a_100000211924_200025704644 [0,2,0,0,0,0|1,0,1]=4 2632 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_100000731031_200025704644 [0,2,0,0,0,0|1,0,1]=4 2633 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_200025704644_100000230027 [0,2,0,0,0,0|1,0,1]=4 2634 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [0,2,0,0,0,0|1,0,1]=4 2635 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [0,2,0,0,0,0|1,0,1]=4 2636 B7R0.8 CSCCS(=O)(=O)C 62a_100000731031_200000210301 [0,2,0,0,0,0|1,0,1]=4 2637 B7R0.8 CSCCS(=O)(=O)C 62a_200000210301_100000230027 [0,2,0,0,0,0|1,0,1]=4 2638 B7R0.8 CSCCS(=O)(=O)[O-] 62a_100000762736_200000210301 [0,2,0,0,0,0|1,0,1]=4 2639 B7R0.8 CSCCS(=O)(=O)[O-] 62a_200000210301_100000762736 [0,2,0,0,0,0|1,0,1]=4 2640 B7R0.8 [13CH3]NCCS(=O)(=O)N 2230a_100000738205_200025704644 [0,2,0,0,0,0|1,0,1]=4 2641 B7R0.8 [13CH3]NCCS(=O)(=O)N 34a_100000738205_200025704644 [0,2,0,0,0,0|1,0,1]=4 2642 B7R0.8 [13CH3]OCCS(=O)(=O)N 34a_100012334274_200025704644 [0,2,0,0,0,0|1,0,1]=4 2643 B7R0.8 [13CH3]SCCS(=O)(=O)[O-] 62a_100000762736_200025704644 [0,2,0,0,0,0|1,0,1]=4 2644 B7R0.8 [13CH3]SCCS(=O)(=O)[O-] 62a_200025704644_100000762736 [0,2,0,0,0,0|1,0,1]=4 2645 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,1,0,1,0,0|1,0,1]=4 2646 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,1,0,1,0,0|1,0,1]=4 2647 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,1,0,1,0,0|1,0,1]=4 2648 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,1,0,1,0,0|0,0,2]=4 2649 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,1,0,1,0,0|1,0,1]=4 2650 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,1,0,1,0,0|1,0,1]=4 2651 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,1,0,1,0,0|0,0,2]=4 2652 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,1,0,1,0,0|1,0,1]=4 2653 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,1,0,1,0,0|1,0,1]=4 2654 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,1,0,1,0,0|2,0,0]=4 2655 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,1,0,1,0,0|1,0,1]=4 2656 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,1,0,1,0,0|1,0,1]=4 2657 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,1,0,1,0,0|2,0,0]=4 2658 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,1,0,1,0,0|2,0,0]=4 2659 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,1,0,1,0,0|2,0,0]=4 2660 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,1,0,1,0,0|2,0,0]=4 2661 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,1,0,1,0,0|2,0,0]=4 2662 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,1,0,1,0,0|2,0,0]=4 2663 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,1,0,1,0,0|2,0,0]=4 2664 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,1,0,0|2,0,0]=4 2665 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,1,0,0|2,0,0]=4 2666 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,1,0,0|2,0,0]=4 2667 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,1,0,0|2,0,0]=4 2668 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,1,0,0|2,0,0]=4 2669 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,1,0,0|2,0,0]=4 2670 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,1,0,0|2,0,0]=4 2671 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [0,1,0,1,0,0|2,0,0]=4 2672 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [0,1,0,1,0,0|2,0,0]=4 2673 B7R1.10 CCN1CC(C1)O 269982a_100000749847_100000204670 [0,1,0,1,0,0|1,0,1]=4 2674 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [0,1,0,1,0,0|1,0,1]=4 2675 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,1,0,1,0,0|1,0,0]=3 2676 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [0,1,0,1,0,0|1,0,1]=4 2677 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,1,0,1,0,0|1,0,0]=3 2678 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,1,0,1,0,0|1,0,1]=4 2679 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,1,0,1,0,0|1,0,1]=4 2680 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,1,0,1,0,0|1,0,0]=3 2681 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,1,0,1,0,0|2,0,0]=4 2682 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,1,0,1,0,0|1,0,0]=3 2683 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,1,0,1,0,0|1,0,0]=3 2684 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,1,0,1,0,0|1,0,0]=3 2685 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,1,0,1,0,0|1,0,0]=3 2686 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,1,0,1,0,0|2,0,0]=4 2687 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,1,0,1,0,0|2,0,0]=4 2688 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,1,0,1,0,0|2,0,0]=4 2689 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,1,0,1,0,0|2,0,0]=4 2690 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,1,0,1,0,0|1,0,1]=4 2691 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,1,0,1,0,0|1,0,1]=4 2692 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,1,0,1,0,0|1,0,0]=3 2693 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,1,0,1,0,0|2,0,0]=4 2694 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,1,0,1,0,0|1,0,1]=4 2695 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,1,0,1,0,0|1,0,1]=4 2696 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,1,0,1,0,0|1,0,1]=4 2697 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,1,0,1,0,0|1,0,1]=4 2698 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,1,0,1,0,0|1,0,0]=3 2699 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,1,0,1,0,0|1,0,0]=3 2700 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,1,0,1,0,0|1,0,0]=3 2701 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,1,0,1,0,0|1,0,0]=3 2702 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,1,0,1,0,0|1,0,0]=3 2703 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,1,0,1,0,0|1,0,0]=3 2704 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,1,0,1,0,0|1,0,0]=3 2705 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,1,0,1,0,0|1,0,0]=3 2706 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,1,0,1,0,0|1,0,0]=3 2707 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,1,0,1,0,0|1,0,0]=3 2708 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,1,0,1,0,0|1,0,0]=3 2709 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,1,0,1,0,0|1,0,0]=3 2710 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,1,0,1,0,0|1,0,0]=3 2711 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,1,0,1,0,0|1,0,0]=3 2712 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,1,0,1,0,0|1,0,0]=3 2713 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,1,0,1,0,0|1,0,0]=3 2714 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,1,0,1,0,0|1,0,0]=3 2715 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,1,0,1,0,0|1,0,0]=3 2716 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,1,0,1,0,0|1,0,0]=3 2717 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,1,0,1,0,0|1,0,0]=3 2718 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,1,0,1,0,0|1,0,0]=3 2719 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,1,0,1,0,0|1,0,0]=3 2720 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,1,0,1,0,0|1,0,0]=3 2721 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,1,0,1,0,0|1,0,0]=3 2722 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,1,0,1,0,0|1,0,0]=3 2723 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,1,0,1,0,0|1,0,0]=3 2724 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,1,0,1,0,0|1,0,0]=3 2725 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,1,0,1,0,0|1,0,0]=3 2726 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,1,0,1,0,0|1,0,0]=3 2727 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,1,0,1,0,0|1,0,0]=3 2728 B7R1.7 CCNCC1CO1 2230a_100015525214_100011216344 [0,1,0,1,0,0|1,0,1]=4 2729 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [0,1,0,1,0,0|1,0,1]=4 2730 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [0,1,0,1,0,0|1,0,1]=4 2731 B7R1.7 CCSCC1CO1 62a_100000210202_102125554688 [0,1,0,1,0,0|1,0,1]=4 2732 B7R1.7 CCSCC1CO1 62a_102125554688_100000210202 [0,1,0,1,0,0|1,0,1]=4 2733 B7R1.7 CCSC[C@@H]1CO1 62a_100000210202_100000745022 [0,1,0,1,0,0|1,0,1]=4 2734 B7R1.7 CCSC[C@@H]1CO1 62a_100000745022_100000210202 [0,1,0,1,0,0|1,0,1]=4 2735 B7R1.7 CNCCC1CO1 2230a_106832991635_100000732470 [0,1,0,1,0,0|1,0,1]=4 2736 B7R1.7 CNCCC1CO1 34a_100102657272_100000732470 [0,1,0,1,0,0|1,0,1]=4 2737 B7R1.7 CNCCC1CO1 7a_106832991635_100000732470 [0,1,0,1,0,0|1,0,1]=4 2738 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [0,1,0,1,0,0|1,0,1]=4 2739 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [0,1,0,1,0,0|1,0,1]=4 2740 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [0,1,0,1,0,0|1,0,1]=4 2741 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [0,1,0,1,0,0|1,0,1]=4 2742 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [0,1,0,1,0,0|1,0,1]=4 2743 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [0,1,0,1,0,0|1,0,1]=4 2744 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [0,1,0,1,0,0|1,0,1]=4