0 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,0,0,0,0,0|1,0,3]=4 7 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,0,0,0,0,0|1,0,1]=2 18 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,0,0,0,0,0|1,1,1]=3 20 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [0,0,0,0,0,0|2,1,1]=4 21 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,0,0,0,0,0|1,0,2]=3 30 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,0,0,0,0,0|1,0,3]=4 33 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,0,0,0,0|1,0,3]=4 35 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,0,0,0,0,0|2,0,2]=4 39 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,0,0,0,0,0|2,0,2]=4 42 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,0,0,0,0,0|2,0,2]=4 43 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,0,0,0,0,0|2,0,2]=4 45 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,0,0,0,0,0|2,0,2]=4 46 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,0,0,0,0,0|2,0,2]=4 47 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,0,0,0,0,0|2,0,2]=4 49 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,0,0,0,0,0|2,0,2]=4 50 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,0,0,0,0,0|2,0,2]=4 51 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,0,0,0,0,0|2,0,2]=4 52 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,0,0,0,0|1,0,2]=3 53 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,0,0,0,0|1,0,2]=3 54 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,0,0,0,0,0|2,0,1]=3 55 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,0,0,0,0,0|2,0,1]=3 56 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,0,0,0,0,0|2,0,1]=3 57 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,0,0,0,0,0|2,0,1]=3 58 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,0,0,0,0,0|2,0,1]=3 59 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,0,0,0,0,0|2,0,1]=3 60 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,0,0,0,0,0|1,0,2]=3 61 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,0,0,0,0|1,0,2]=3 62 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,0,0,0,0|1,0,2]=3 63 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,0,0,0,0,0|2,0,1]=3 64 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,0,0,0,0,0|2,0,1]=3 65 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,0,0,0,0|2,0,1]=3 66 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,0,0,0,0|2,0,1]=3 67 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,0,0,0,0|2,0,1]=3 68 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,0,0,0,0|2,0,1]=3 69 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,0,0,0,0|2,0,1]=3 70 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,0,0,0,0,0|2,0,1]=3 71 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,0,0,0,0,0|2,0,2]=4 72 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,0,0,0,0,0|1,0,3]=4 73 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,0,0,0,0,0|1,0,3]=4 74 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,0,0,0,0,0|2,0,2]=4 75 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,0,0,0,0,0|2,0,2]=4 76 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,0,0,0,0,0|2,0,2]=4 77 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,0,0,0,0,0|2,0,2]=4 78 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,0,0,0,0,0|3,0,1]=4 79 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,0,0,0,0,0|3,0,1]=4 80 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,0,0,0,0,0|3,0,1]=4 81 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,0,0,0,0,0|3,0,1]=4 82 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,0,0,0,0,0|3,0,1]=4 83 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,0,0,0,0,0|3,0,1]=4 84 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,0,0,0,0,0|3,0,1]=4 85 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,0,0,0,0,0|3,0,1]=4 86 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,0,0,0,0,0|3,0,1]=4 87 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,0,0,0,0,0|3,0,1]=4 88 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,0,0,0,0,0|3,0,1]=4 89 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,0,0,0,0,0|3,0,1]=4 90 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,0,0,0,0,0|3,0,1]=4 91 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,0,0,0,0,0|3,0,1]=4 92 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,0,0,0,0,0|3,0,1]=4 93 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,0,0,0,0,0|3,0,1]=4 94 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,0,0,0,0,0|3,0,1]=4 95 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,0,0,0,0,0|3,0,1]=4 96 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,0,0,0,0,0|3,0,1]=4 97 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,0,0,0,0,0|3,0,1]=4 98 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,0,0,0,0,0|3,0,1]=4 99 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,0,0,0,0,0|3,0,1]=4 100 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,0,0,0,0,0|3,0,1]=4 101 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,0,0,0,0,0|3,0,1]=4 102 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,0,0,0,0,0|3,0,1]=4 103 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,0,0,0,0,0|3,0,1]=4 104 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,0,0,0,0,0|3,0,1]=4 105 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,0,0,0,0,0|3,0,1]=4 106 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,0,0,0,0,0|3,0,1]=4 107 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,0,0,0,0,0|3,0,1]=4 108 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,0,0,0,0,0|3,0,1]=4 109 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,0,0,0,0,0|3,0,1]=4 110 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,0,0,0,0,0|3,0,1]=4 111 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,0,0,0,0,0|3,0,1]=4 112 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,0,0,0,0,0|3,0,1]=4 113 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,0,0,0,0,0|3,0,1]=4 114 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,0,0,0,0,0|3,0,1]=4 115 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,0,0,0,0,0|3,0,1]=4 116 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|3,0,0]=4 117 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|3,0,0]=4 118 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|3,0,0]=4 119 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|3,0,0]=4 120 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|3,0,0]=4 121 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|3,0,0]=4 122 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|3,0,0]=4 123 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|3,0,0]=4 124 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|3,0,0]=4 125 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|3,0,0]=4 126 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,0,0,0,0,0|3,0,0]=4 127 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,0,0,0,0,0|3,0,0]=4 128 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,0,0,0,0,0|3,0,0]=4 129 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,0,0,0,0,0|3,0,0]=4 130 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,0,0,0,0,0|3,0,0]=4 131 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,0,0,0,0,0|3,0,0]=4 132 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,0,0,0,0,0|3,0,0]=4 133 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,0,0,0,0,0|3,0,0]=4 134 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,0,0,0,0,0|3,0,0]=4 136 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|1,0,2]=4 137 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|1,0,2]=4 138 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|2,0,1]=4 139 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|2,0,1]=4 141 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|2,0,1]=4 142 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|1,0,2]=4 143 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|1,0,2]=4 144 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|1,0,1]=3 145 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|1,0,1]=3 146 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|1,0,1]=3 147 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|1,0,1]=3 148 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|1,0,1]=3 149 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|1,0,1]=3 150 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|1,0,2]=4 151 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|1,0,2]=4 152 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|3,0,0]=4 153 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|3,0,0]=4 154 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|3,0,0]=4 155 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|3,0,0]=4 156 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|3,0,0]=4 157 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|3,0,0]=4 158 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|2,0,1]=4 159 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|2,0,1]=4 160 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|2,0,1]=4 161 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|3,0,0]=4 162 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|2,0,1]=4 163 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|3,0,0]=4 164 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|2,0,1]=4 165 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|3,0,0]=4 166 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|3,0,0]=4 167 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|2,0,1]=4 168 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|3,0,0]=4 169 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|3,0,0]=4 170 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|3,0,0]=4 172 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|3,0,0]=4 173 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|3,0,0]=4 174 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|3,0,0]=4 175 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|3,0,0]=4 176 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|3,0,0]=4 177 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,0,0,0,0,0|0,0,3]=4 178 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,0,0,0,0,0|0,0,3]=4 179 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,0,0,0,0|2,0,1]=4 184 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,0,0,0,0|2,0,1]=4 185 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,0,0,0,0|2,0,1]=4 186 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,0,0,0,0|2,0,1]=4 187 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,0,0,0,0|2,0,1]=4 188 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,0,0,0,0|2,0,1]=4 189 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,0,0,0,0|2,0,1]=4 190 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,0,0,0,0|2,0,1]=4 191 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,0,0,0,0|2,0,1]=4 192 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,0,0,0,0|2,0,1]=4 193 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,0,0,0,0|2,0,1]=4 194 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,0,0,0,0|2,0,1]=4 195 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,0,0,0,0|2,0,1]=4 196 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,0,0,0,0|2,0,1]=4 197 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,0,0,0,0|2,0,1]=4 198 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,0,0,0,0|2,0,1]=4 199 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,0,0,0,0|2,0,1]=4 200 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|1,0,1]=3 201 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|1,0,1]=3 202 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|0,0,1]=2 203 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|0,0,1]=2 204 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,0,0,0,0,0|1,0,1]=3 205 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|0,1,1]=3 206 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|0,1,1]=3 207 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,0,0,0,0,0|1,1,1]=4 208 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,0,0,0,0,0|1,1,1]=4 209 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 210 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,0,0,0,0|2,0,1]=4 211 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,0,0,0,0|2,0,1]=4 213 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,0,0,0,0|2,0,1]=4 214 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,0,0,0,0|2,0,1]=4 215 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,0,0,0,0|2,0,1]=4 216 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,0,0,0,0|2,0,1]=4 217 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|2,0,1]=4 218 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,0,0,0,0|0,0,3]=4 219 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,0,0,0,0|0,0,3]=4 220 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|2,0,1]=4 221 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|1,0,1]=3 222 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,0,0,0,0|1,0,2]=4 223 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,0,0,0,0|1,0,2]=4 224 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,0,0,0,0|1,0,2]=4 225 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,0,0,0,0|1,0,2]=4 226 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,0,0,0,0|1,0,2]=4 227 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,0,0,0,0|1,0,2]=4 228 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,0,0,0,0|1,0,2]=4 229 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,0,0,0,0|1,0,2]=4 230 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,0,0,0,0|1,0,2]=4 231 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|1,1,1]=4 232 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|1,1,1]=4 233 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,0,0,0,0|0,0,2]=3 234 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [1,0,0,0,0,0|1,0,2]=4 235 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,0,0,0,0|0,0,0]=1 236 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,0,0,0,0|1,0,0]=2 237 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,0,0,0,0|1,0,0]=2 238 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,0,0,0,0|1,0,0]=2 239 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,0,0,0,0|1,0,1]=3 240 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,0,0,0,0|1,0,1]=3 241 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,0,0,0,0|1,1,1]=4 242 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,0,0,0,0|1,1,1]=4 243 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,0,0,0,0|0,0,2]=3 244 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,0,0,0,0|1,0,1]=3 245 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|1,0,1]=3 246 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,0,0,0,0|1,0,1]=3 247 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,0,0,0,0|1,0,1]=3 248 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,0,0,0,0|1,0,1]=3 249 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,0,0,0,0|1,0,1]=3 250 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,0,0,0,0|2,0,1]=4 251 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,0,0,0,0|2,0,1]=4 252 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,0,0,0,0|2,0,1]=4 253 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,0,0,0,0|2,0,1]=4 254 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,0,0,0,0|2,0,1]=4 255 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,0,0,0,0,0|2,0,1]=4 256 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,1,0,0,0,0|1,0,2]=4 257 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [0,1,0,0,0,0|1,0,2]=4 258 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,1,0,0,0,0|1,0,1]=3 259 B7R0.2 C=CC(=O)CC(=C)F 1458a_100000185746_100009893438 [0,1,0,0,0,0|1,0,2]=4 260 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [0,1,0,0,0,0|2,0,1]=4 262 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,1,0,0,0,0|1,0,0]=2 263 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,1,0,0,0,0|1,0,0]=2 264 B7R0.2 C=CC(=O)CC(F)F 1458a_100000185746_100011934356 [0,1,0,0,0,0|2,0,0]=3 265 B7R0.2 C=CC(=O)C[N+](=O)[O-] 1458a_100000185746_100000761209 [0,1,0,0,0,0|3,0,0]=4 266 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,1,0,0,0,0|1,0,0]=2 267 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,1,0,0,0,0|1,0,0]=2 268 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,1,0,0,0,0|1,0,1]=3 269 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,1,0,0,0,0|1,1,1]=4 270 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,1,0,0,0,0|2,0,1]=4 271 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,1,0,0,0,0|2,0,1]=4 272 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,1,0,0,0,0|2,0,1]=4 273 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,1,0,0,0,0|2,0,1]=4 274 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,1,0,0,0,0|2,0,1]=4 275 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,0,0,0,0|1,0,2]=4 276 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,0,0,0,0|1,0,2]=4 277 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,1,0,0,0,0|1,0,2]=4 278 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,1,0,0,0,0|1,0,2]=4 279 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,0,0,0,0|1,0,2]=4 280 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,0,0,0,0|1,0,2]=4 281 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,0,0,0,0|1,0,2]=4 282 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,0,0,0,0|1,0,2]=4 283 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,0,0,0,0|2,0,1]=4 284 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,0,0,0,0|2,0,1]=4 286 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,0,0,0,0|2,0,1]=4 287 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,1,0,0,0,0|2,0,1]=4 288 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,1,0,0,0,0|2,0,1]=4 289 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,1,0,0,0,0|2,0,1]=4 290 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,1,0,0,0,0|2,0,1]=4 291 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,1,0,0,0,0|2,0,1]=4 292 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,1,0,0,0,0|2,0,1]=4 293 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,1,0,0,0,0|2,0,1]=4 294 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,1,0,0,0,0|1,0,2]=4 295 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,1,0,0,0,0|1,0,2]=4 296 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,1,0,0,0,0|1,0,2]=4 297 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,1,0,0,0,0|1,0,2]=4 298 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,1,0,0,0,0|1,0,2]=4 299 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [0,1,0,0,0,0|1,0,1]=3 300 B7R0.3 C#CCNC(=O)C=C 1626a_100000212058_100000185746 [0,1,0,0,0,0|1,0,1]=3 301 B7R0.3 C#CCNC(=O)C=C 240690a_100000212058_200121576911 [0,1,0,0,0,0|1,0,1]=3 302 B7R0.3 C#CCOC(C)C=C 34a_100000695699_100000184674 [0,1,0,0,0,0|1,0,2]=4 303 B7R0.3 C=C(C#N)COCC 34a_100121572206_100000694840 [0,1,0,0,0,0|2,0,1]=4 304 B7R0.3 C=CC(=NNCC)C 4a_100000756455_200015361842 [0,1,0,0,0,0|2,0,0]=3 305 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,1,0,0,0,0|1,0,1]=3 306 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [0,1,0,0,0,0|1,0,1]=3 307 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,1,0,0,0,0|1,0,1]=3 308 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [0,1,0,0,0,0|1,0,1]=3 309 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,1,0,0,0,0|1,0,0]=2 310 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,1,0,0,0,0|1,0,0]=2 311 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,1,0,0,0,0|1,0,0]=2 312 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,1,0,0,0,0|1,0,0]=2 313 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,1,0,0,0,0|1,0,0]=2 314 B7R0.3 C=CC(=O)NCC#N 1626a_100000734998_100000185746 [0,1,0,0,0,0|1,0,1]=3 315 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,1,0,0,0,0|1,0,0]=2 316 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,1,0,0,0,0|1,0,0]=2 317 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,1,0,0,0,0|1,0,0]=2 318 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,1,0,0,0,0|1,0,0]=2 319 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,1,0,0,0,0|1,0,0]=2 320 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [0,1,0,0,0,0|1,0,0]=2 321 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,1,0,0,0,0|1,0,1]=3 322 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,1,0,0,0,0|1,0,1]=3 323 B7R0.3 C=CC(C)COCF 34a_100011215527_100015361967 [0,1,0,0,0,0|2,0,1]=4 324 B7R0.3 C=CC(C)COCF 7a_100011215527_100015361967 [0,1,0,0,0,0|2,0,1]=4 325 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,1,0,0,0,0|1,0,2]=4 326 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,1,0,0,0,0|1,0,1]=3 327 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [0,1,0,0,0,0|1,0,1]=3 328 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,1,0,0,0,0|1,0,1]=3 329 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [0,1,0,0,0,0|1,0,1]=3 330 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,1,0,0,0,0|1,1,1]=4 331 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [0,1,0,0,0,0|1,1,1]=4 332 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [0,1,0,0,0,0|1,1,1]=4 333 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [0,1,0,0,0,0|1,1,1]=4 334 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [0,1,0,0,0,0|1,1,1]=4 335 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [0,1,0,0,0,0|1,0,2]=4 336 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,1,0,0,0,0|0,0,2]=3 337 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,1,0,0,0,0|0,1,2]=4 338 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,1,0,0,0,0|0,1,2]=4 339 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,1,0,0,0,0|1,0,1]=3 340 B7R0.3 C=CCNC(=O)C=C 1626a_100020586998_100000185746 [0,1,0,0,0,0|1,0,1]=3 341 B7R0.3 C=CCNC(=O)C=C 240690a_100020586998_200121576911 [0,1,0,0,0,0|1,0,1]=3 342 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [0,1,0,0,0,0|1,0,2]=4 343 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [0,1,0,0,0,0|1,0,1]=3 344 B7R0.3 C=C[C@H](N)COCF 34a_100016989147_100015361967 [0,1,0,0,0,0|2,0,1]=4 345 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,1,0,0,0,0|1,0,2]=4 346 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,1,0,0,0,0|2,0,1]=4 347 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,1,0,0,0,0|1,0,2]=4 348 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,0,0,0,0|1,0,2]=4 349 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,0,0,0,0|1,0,2]=4 350 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,0,0,0,0|1,0,2]=4 351 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,0,0,0,0|1,0,2]=4 352 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,0,0,0,0|1,0,2]=4 353 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,1,0,0,0,0|1,0,2]=4 354 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,0,0,0,0|1,0,2]=4 355 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,0,0,0,0|1,0,2]=4 356 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,0,0,0,0|1,0,2]=4 357 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,0,0,0,0|1,0,2]=4 358 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,0,0,0,0|1,0,2]=4 359 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,0,0,0,0|1,0,2]=4 360 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,0,0,0,0|1,0,2]=4 361 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,1,0,0,0,0|2,0,1]=4 362 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,1,0,0,0,0|2,0,1]=4 363 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,1,0,0,0,0|2,0,1]=4 364 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,1,0,0,0,0|2,0,1]=4 365 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,0,0,0,0|1,0,2]=4 366 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,0,0,0,0|1,0,2]=4 367 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,1,0,0,0,0|2,0,1]=4 368 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,1,0,0,0,0|2,0,1]=4 369 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,1,0,0,0,0|2,0,1]=4 370 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,1,0,0,0,0|2,0,1]=4 371 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,1,0,0,0,0|2,0,1]=4 372 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,1,0,0,0,0|2,0,1]=4 373 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,0,0,0,0|1,0,2]=4 374 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,0,0,0,0|1,0,2]=4 375 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,0,0,0,0|1,0,2]=4 376 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,0,0,0,0|1,0,2]=4 377 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,0,0,0,0|2,0,1]=4 378 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,0,0,0,0|2,0,1]=4 379 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,1,0,0,0,0|2,0,1]=4 380 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,1,0,0,0,0|2,0,1]=4 381 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,1,0,0,0,0|2,0,1]=4 382 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,1,0,0,0,0|2,0,1]=4 383 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,1,0,0,0,0|2,0,1]=4 384 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,1,0,0,0,0|2,0,1]=4 385 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,1,0,0,0,0|2,0,1]=4 386 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,1,0,0,0,0|2,0,1]=4 387 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,1,0,0,0,0|2,0,1]=4 388 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,1,0,0,0,0|1,0,2]=4 389 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,1,0,0,0,0|2,0,1]=4 390 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,1,0,0,0,0|2,0,1]=4 391 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,1,0,0,0,0|2,0,1]=4 392 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,1,0,0,0,0|2,0,1]=4 393 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,0,0,0,0|0,0,2]=3 394 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,0,0,0,0|0,0,2]=3 395 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,1,0,0,0,0|1,0,1]=3 396 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,1,0,0,0,0|1,0,1]=3 397 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,1,0,0,0,0|1,0,1]=3 398 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,1,0,0,0,0|1,0,1]=3 399 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,1,0,0,0,0|1,0,1]=3 400 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,1,0,0,0,0|1,0,1]=3 401 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,1,0,0,0,0|1,0,1]=3 402 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,1,0,0,0,0|1,0,1]=3 403 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,1,0,0,0,0|0,1,2]=4 404 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,1,0,0,0,0|0,1,2]=4 405 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,1,0,0,0,0|0,1,2]=4 406 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,1,0,0,0,0|1,1,1]=4 407 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,1,0,0,0,0|1,1,1]=4 408 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,1,0,0,0,0|1,1,1]=4 409 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,1,0,0,0,0|1,1,1]=4 410 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,1,0,0,0,0|1,1,1]=4 411 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,1,0,0,0,0|1,1,1]=4 412 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,1,0,0,0,0|1,1,1]=4 413 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,1,0,0,0,0|1,1,1]=4 414 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,1,0,0,0,0|1,1,1]=4 415 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,1,0,0,0,0|2,0,1]=4 416 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,1,0,0,0,0|2,0,1]=4 418 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,1,0,0,0,0|2,0,1]=4 419 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,1,0,0,0,0|2,0,1]=4 421 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,1,0,0,0,0|2,0,1]=4 422 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,1,0,0,0,0|2,0,1]=4 423 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,1,0,0,0,0|2,0,1]=4 424 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,0,0,0,0|2,0,1]=4 425 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,0,0,0,0|2,0,1]=4 426 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,0,0,0,0|2,0,1]=4 427 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,0,0,0,0|2,0,1]=4 428 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,0,0,0,0|2,0,1]=4 429 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,0,0,0,0|2,0,1]=4 430 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,0,0,0,0|2,0,1]=4 431 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,0,0,0,0|2,0,1]=4 432 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,1,0,0,0,0|2,0,1]=4 433 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,1,0,0,0,0|2,0,1]=4 434 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,1,0,0,0,0|2,0,1]=4 435 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,1,0,0,0,0|2,0,1]=4 437 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,1,0,0,0,0|2,0,1]=4 438 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,1,0,0,0,0|2,0,1]=4 439 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,1,0,0,0,0|2,0,1]=4 440 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,1,0,0,0,0|2,0,1]=4 441 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,1,0,0,0,0|2,0,1]=4 442 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,1,0,0,0,0|2,0,1]=4 443 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,1,0,0,0,0|2,0,1]=4 444 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,1,0,0,0,0|2,0,1]=4 445 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,1,0,0,0,0|2,0,1]=4 446 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,1,0,0,0,0|2,0,1]=4 447 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,1,0,0,0,0|2,0,1]=4 448 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,1,0,0,0,0|2,0,1]=4 449 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,1,0,0,0,0|2,0,1]=4 450 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,1,0,0,0,0|2,0,1]=4 451 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,1,0,0,0,0|2,0,1]=4 452 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,1,0,0,0,0|2,0,1]=4 453 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,1,0,0,0,0|1,0,1]=3 454 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,1,0,0,0,0|1,0,1]=3 455 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,1,0,0,0,0|2,0,1]=4 456 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,1,0,0,0,0|2,0,1]=4 457 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,1,0,0,0,0|2,0,1]=4 458 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,1,0,0,0,0|2,0,1]=4 459 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,1,0,0,0,0|2,0,1]=4 460 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,1,0,0,0,0|2,0,1]=4 461 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,1,0,0,0,0|2,0,1]=4 462 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,1,0,0,0,0|2,0,1]=4 463 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,1,0,0,0,0|2,0,1]=4 464 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,1,0,0,0,0|2,0,1]=4 465 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,1,0,0,0,0|2,0,1]=4 466 B7R0.5 C#CCC(=O)C(=C)C 1458a_100000185857_100000184674 [0,1,0,0,0,0|1,0,2]=4 467 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,1,0,0,0,0|1,0,0]=2 468 B7R0.5 C=C(C)C(=O)CC#N 1458a_100000185857_100011214920 [0,1,0,0,0,0|2,0,1]=4 469 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,0,0,0,0|1,0,0]=2 470 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,1,0,0,0,0|2,0,0]=3 471 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,1,0,0,0,0|2,0,0]=3 472 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,1,0,0,0,0|1,0,0]=2 473 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [0,1,0,0,0,0|2,0,0]=3 474 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,1,0,0,0,0|2,0,1]=4 475 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,1,0,0,0,0|1,0,0]=2 476 B7R0.5 C=C(Cl)C(=O)NNC 22a_100016993582_100000039160 [0,1,0,0,0,0|2,0,0]=3 477 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,1,0,0,0,0|1,0,0]=2 478 B7R0.5 C=C(F)C(=O)NNC 22a_100016993582_100000036797 [0,1,0,0,0,0|2,0,0]=3 479 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,1,0,0,0,0|1,0,2]=4 480 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|2,0,1]=4 481 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|2,0,1]=4 482 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,0,0,0,0|2,0,1]=4 483 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,0,0,0,0|2,0,1]=4 484 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,1,0,0,0,0|1,0,2]=4 485 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,1,0,0,0,0|1,0,2]=4 486 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,1,0,0,0,0|1,0,2]=4 487 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,1,0,0,0,0|2,0,1]=4 488 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,1,0,0,0,0|2,0,1]=4 489 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,1,0,0,0,0|2,0,1]=4 490 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,1,0,0,0,0|2,0,1]=4 491 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,1,0,0,0,0|2,0,1]=4 492 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,0,0,0,0|1,0,2]=4 493 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,0,0,0,0|1,0,2]=4 494 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,0,0,0,0|1,0,1]=3 495 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,1,0,0,0,0|2,0,0]=3 496 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,0,0,0,0|1,0,1]=3 497 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,0,0,0,0|1,0,2]=4 498 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,0,0,0,0|1,0,2]=4 499 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,0,0,0,0|1,0,2]=4 500 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,1,0,0,0,0|1,0,2]=4 501 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,1,0,0,0,0|1,0,2]=4 502 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,1,0,0,0,0|1,0,2]=4 503 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,1,0,0,0,0|2,0,1]=4 504 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,1,0,0,0,0|2,0,1]=4 505 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,1,0,0,0,0|2,0,1]=4 506 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,1,0,0,0,0|2,0,1]=4 507 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,1,0,0,0,0|2,0,1]=4 508 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,0,0,0,0|1,0,2]=4 509 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,0,0,0,0|1,0,2]=4 510 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,0,0,0,0|1,0,2]=4 511 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,0,0,0,0|1,0,2]=4 512 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,1,0,0,0,0|2,0,1]=4 513 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,0,0,0,0|1,0,2]=4 514 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,1,0,0,0,0|2,0,1]=4 515 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,1,0,0,0,0|2,0,1]=4 516 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,1,0,0,0,0|2,0,1]=4 517 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,1,0,0,0,0|2,0,1]=4 518 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,1,0,0,0,0|2,0,1]=4 519 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|2,0,1]=4 520 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [0,1,0,0,0,0|3,0,0]=4 521 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|2,0,1]=4 522 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|2,0,1]=4 523 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|2,0,1]=4 524 B7R0.7 C#CCC(=O)C=CBr 1458a_100016273825_100000184674 [0,1,0,0,0,0|1,0,2]=4 525 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [0,1,0,0,0,0|1,0,2]=4 526 B7R0.7 C#CCC(=O)C=CCl 1458a_200016279998_100000184674 [0,1,0,0,0,0|1,0,2]=4 527 B7R0.7 C#CCC(=O)C=CI 1458a_100016256311_100000184674 [0,1,0,0,0,0|1,0,2]=4 528 B7R0.7 C#CCC(=O)CC=C 1458a_100000210193_100000184674 [0,1,0,0,0,0|1,0,2]=4 529 B7R0.7 C#CCC(=O)CC=C 1458a_100011220946_100000210623 [0,1,0,0,0,0|1,0,2]=4 530 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,1,0,0,0,0|1,0,2]=4 531 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,1,0,0,0,0|1,0,2]=4 532 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,1,0,0,0,0|1,0,2]=4 533 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,1,0,0,0,0|1,0,1]=3 534 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,1,0,0,0,0|2,0,1]=4 535 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [0,1,0,0,0,0|1,0,1]=3 536 B7R0.7 C=CCC(=O)C=CBr 1458a_100016273825_100000210623 [0,1,0,0,0,0|1,0,2]=4 537 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,1,0,0,0,0|1,0,1]=3 538 B7R0.7 C=CCC(=O)C=CCl 1458a_200016279998_100000210623 [0,1,0,0,0,0|1,0,2]=4 539 B7R0.7 C=CCC(=O)C=CI 1458a_100016256311_100000210623 [0,1,0,0,0,0|1,0,2]=4 540 B7R0.7 C=CCC(=O)CC#N 1458a_100000210193_100011214920 [0,1,0,0,0,0|2,0,1]=4 541 B7R0.7 C=CCC(=O)CC#N 1458a_100051588842_100000210623 [0,1,0,0,0,0|2,0,1]=4 542 B7R0.7 C=CCC(=O)CC=C 1458a_100000210193_100000210623 [0,1,0,0,0,0|1,0,2]=4 543 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,0,0,0,0|1,0,0]=2 544 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,0,0,0,0|1,0,0]=2 545 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,1,0,0,0,0|2,0,0]=3 546 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,1,0,0,0,0|2,0,0]=3 547 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,1,0,0,0,0|2,0,0]=3 548 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,1,0,0,0,0|2,0,0]=3 549 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,1,0,0,0,0|2,0,0]=3 550 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,0,0,0,0|1,0,0]=2 551 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,0,0,0,0|1,0,0]=2 552 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,0,0,0,0|1,0,0]=2 553 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,1,0,0,0,0|2,0,0]=3 554 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,1,0,0,0,0|3,0,0]=4 555 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,1,0,0,0,0|3,0,0]=4 556 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,1,0,0,0,0|3,0,0]=4 557 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,1,0,0,0,0|3,0,0]=4 558 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,1,0,0,0,0|1,0,1]=3 559 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,1,0,0,0,0|1,0,1]=3 560 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,1,0,0,0,0|2,0,1]=4 561 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,1,0,0,0,0|2,0,1]=4 562 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,1,0,0,0,0|2,0,0]=3 563 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,1,0,0,0,0|2,0,0]=3 564 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,1,0,0,0,0|2,0,0]=3 565 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,1,0,0,0,0|2,0,0]=3 566 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,1,0,0,0,0|2,0,0]=3 567 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,1,0,0,0,0|2,0,0]=3 568 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,1,0,0,0,0|2,0,0]=3 569 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,1,0,0,0,0|1,0,2]=4 570 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,1,0,0,0,0|2,0,1]=4 571 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,0,0,0,0|1,0,0]=2 572 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,1,0,0,0,0|2,0,0]=3 573 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,1,0,0,0,0|2,0,0]=3 574 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,1,0,0,0,0|1,0,0]=2 575 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,1,0,0,0,0|1,0,0]=2 576 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,1,0,0,0,0|2,0,0]=3 577 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,1,0,0,0,0|1,0,0]=2 578 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,1,0,0,0,0|1,0,0]=2 579 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,1,0,0,0,0|1,0,0]=2 580 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,1,0,0,0,0|1,0,2]=4 581 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,1,0,0,0,0|1,0,2]=4 582 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,1,0,0,0,0|1,0,2]=4 583 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,1,0,0,0,0|1,0,2]=4 584 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,1,0,0,0,0|1,0,2]=4 585 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,1,0,0,0,0|1,0,2]=4 586 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,0,0,0,0|1,0,2]=4 587 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,0,0,0,0|1,0,2]=4 588 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,1,0,0,0,0|1,0,2]=4 589 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,1,0,0,0,0|1,0,2]=4 590 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,1,0,0,0,0|1,0,2]=4 591 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,1,0,0,0,0|1,0,2]=4 592 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,1,0,0,0,0|1,0,2]=4 593 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,1,0,0,0,0|1,0,2]=4 594 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,0,0,0,0|1,0,2]=4 595 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,0,0,0,0|1,0,2]=4 596 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,0,0,0,0|1,0,2]=4 597 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,1,0,0,0,0|2,0,1]=4 598 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,1,0,0,0,0|1,0,0]=2 599 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,1,0,0,0,0|1,0,0]=2 600 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,1,0,0,0,0|1,0,0]=2 601 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,1,0,0,0,0|1,0,2]=4 602 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,1,0,0,0,0|1,0,2]=4 603 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,1,0,0,0,0|1,0,2]=4 604 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,1,0,0,0,0|1,0,2]=4 605 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,1,0,0,0,0|1,0,2]=4 606 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,1,0,0,0,0|1,0,2]=4 607 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,1,0,0,0,0|1,0,2]=4 608 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,1,0,0,0,0|1,0,2]=4 609 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,1,0,0,0,0|1,0,2]=4 610 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,1,0,0,0,0|1,0,2]=4 611 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,1,0,0,0,0|1,0,2]=4 612 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,1,0,0,0,0|1,0,2]=4 613 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,1,0,0,0,0|1,0,2]=4 614 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,1,0,0,0,0|1,0,2]=4 615 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,1,0,0,0,0|1,0,2]=4 616 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,1,0,0,0,0|1,0,2]=4 617 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,1,0,0,0,0|1,0,2]=4 618 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,1,0,0,0,0|1,0,2]=4 619 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,1,0,0,0,0|1,0,2]=4 620 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,1,0,0,0,0|1,0,2]=4 621 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,1,0,0,0,0|1,0,2]=4 622 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,1,0,0,0,0|2,0,1]=4 623 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,1,0,0,0,0|2,0,1]=4 624 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,1,0,0,0,0|2,0,1]=4 625 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,1,0,0,0,0|0,0,2]=3 626 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,1,0,0,0,0|0,0,2]=3 627 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,1,0,0,0,0|0,0,2]=3 628 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,1,0,0,0,0|0,0,2]=3 629 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,1,0,0,0,0|0,0,2]=3 630 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,1,0,0,0,0|0,0,2]=3 631 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,1,0,0,0,0|0,0,2]=3 632 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,1,0,0,0,0|0,0,2]=3 633 B7R0.7 N#CCC(=O)C=CBr 1458a_100016273825_100011214920 [0,1,0,0,0,0|2,0,1]=4 634 B7R0.7 N#CCC(=O)C=CCl 1458a_200016279998_100011214920 [0,1,0,0,0,0|2,0,1]=4 635 B7R0.7 N#CCC(=O)C=CI 1458a_100016256311_100011214920 [0,1,0,0,0,0|2,0,1]=4 636 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,1,0,0,0,0|2,0,0]=3 637 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,1,0,0,0,0|2,0,0]=3 638 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,1,0,0,0,0|2,0,0]=3 639 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,1,0,0,0,0|2,0,0]=3 640 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,1,0,0,0,0|2,0,0]=3 641 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,1,0,0,0,0|2,0,0]=3 642 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,1,0,0,0,0|1,0,2]=4 643 B7R0.10 C#CC(C)C(=O)C=C 1458a_100000185746_200000035995 [0,1,0,0,0,0|1,0,2]=4 644 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,0,0,0,0|2,0,1]=4 645 B7R0.10 C=CC(=O)C(C)C#N 1458a_100000185746_100000703298 [0,1,0,0,0,0|2,0,1]=4 646 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,0,0,0,0|1,0,0]=2 647 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,1,0,0,0,0|1,0,0]=2 648 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,1,0,0,0,0|1,0,0]=2 649 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,0,0,0,0|2,0,1]=4 650 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [0,1,0,0,0,0|2,0,1]=4 651 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,0,0,0,0|2,0,1]=4 652 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|1,0,2]=4 653 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|1,0,2]=4 654 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,0,0,0,0|1,0,2]=4 655 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,0,0,0,0|1,0,2]=4 656 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,0,0,0,0|1,0,2]=4 657 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,0,0,0,0|1,0,2]=4 658 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,0,0,0,0|1,0,2]=4 659 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,0,0,0,0|2,0,1]=4 660 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|2,0,1]=4 661 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,0,0,0,0|2,0,1]=4 662 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,0,0,0,0|2,0,1]=4 663 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,0,0,0,0|2,0,1]=4 664 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,0,0,0,0|2,0,1]=4 665 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,0,0,0,0|2,0,1]=4 666 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,0,0,0,0|2,0,1]=4 667 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,0,0,0,0|2,0,1]=4 668 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,0,0,0,0|2,0,1]=4 669 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,1,0,0,0,0|2,0,1]=4 670 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,1,0,0,0,0|2,0,1]=4 671 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,1,0,0,0,0|1,0,1]=3 672 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,1,0,0,0,0|1,0,1]=3 673 B7R0.11 C=CC(C)(C)OCF 34a_100011215311_100015361967 [0,1,0,0,0,0|2,0,1]=4 674 B7R0.11 C=CC(C)(C)OCF 7a_100011215311_100015361967 [0,1,0,0,0,0|2,0,1]=4 675 B7R0.11 C=CC(F)(F)SCC 62a_100000210202_100009814244 [0,1,0,0,0,0|1,1,1]=4 676 B7R0.11 C=CC(F)(F)SCC 62a_100009814244_100000210202 [0,1,0,0,0,0|1,1,1]=4 677 B7R0.12 C=CC(C=C)OCC 34a_100000033096_100000210202 [0,1,0,0,0,0|1,0,1]=3 678 B7R0.12 C=CC(C=C)OCF 34a_100000033096_100015361967 [0,1,0,0,0,0|2,0,1]=4 679 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,1,0,0,0,0|1,0,1]=3 680 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,1,0,0,0,0|1,0,1]=3 681 B7R0.12 C=CC(CC)OCF 34a_100000766422_100015361967 [0,1,0,0,0,0|2,0,1]=4 682 B7R0.12 C=CC(CC)OCF 7a_100000766422_100015361967 [0,1,0,0,0,0|2,0,1]=4 683 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,1,0,0,0,0|1,0,2]=4 684 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,1,0,0,0,0|1,0,2]=4 685 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,1,0,0,0,0|1,0,2]=4 686 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,1,0,0,0,0|1,0,2]=4 687 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [0,1,0,0,0,0|1,0,2]=4 688 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [0,1,0,0,0,0|1,0,2]=4 689 B7R0.12 CCNC(C=O)C=O 2230a_100015525214_100000736813 [0,1,0,0,0,0|2,0,1]=4 690 B7R0.12 CCOC(C=O)C=O 34a_100121572206_100000736813 [0,1,0,0,0,0|1,0,1]=3 691 B7R0.12 CCSC(C=O)C=O 62a_100000210202_100000736813 [0,1,0,0,0,0|1,1,1]=4 692 B7R0.12 CCSC(C=O)C=O 62a_100000736813_100000210202 [0,1,0,0,0,0|1,1,1]=4 693 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [0,0,0,1,0,0|1,0,2]=4 694 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [0,0,0,1,0,0|2,0,1]=4 695 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [0,0,0,1,0,0|1,0,2]=4 696 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,0,0,1,0,0|0,1,2]=4 697 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [0,0,0,1,0,0|2,0,1]=4 698 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,0,1,0,0|1,0,2]=4 699 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,0,0,1,0,0|2,0,1]=4 700 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,0,0,1,0,0|2,0,1]=4 701 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,0,0,1,0,0|2,0,1]=4 702 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,0,0,1,0,0|2,0,1]=4 703 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,0,0,1,0,0|2,0,1]=4 704 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [2,0,0,0,0,0|0,0,2]=4 705 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [2,0,0,0,0,0|0,0,2]=4 706 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|0,0,0]=2 707 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|0,0,0]=2 708 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,1]=4 709 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,1]=4 710 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,1]=3 711 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,1]=3 712 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,1]=3 713 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,1]=4 714 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,1]=4 715 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,1]=4 716 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,1]=4 717 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,1]=4 718 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 719 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 720 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 721 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 722 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 723 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|0,0,1]=3 724 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|0,0,1]=3 725 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|0,0,1]=3 726 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|0,1,1]=4 727 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|0,1,1]=4 728 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|0,1,1]=4 729 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|0,1,1]=4 730 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|0,0,2]=4 731 B4R0.2 CCOCF 34a_100121572206_100015361967 [2,0,0,0,0,0|1,0,1]=4 732 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|2,0,0]=4 733 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|2,0,0]=4 734 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|2,0,0]=4 735 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,1]=4 736 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|2,0,0]=4 737 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|2,0,0]=4 738 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|2,0,0]=4 739 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|2,0,0]=4 740 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|1,0,1]=4 741 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|1,0,1]=4 742 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|1,0,1]=4 743 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|1,0,1]=4 744 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|1,0,1]=4 745 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|1,0,1]=4 746 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|1,0,1]=4 747 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|1,0,1]=4 748 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|1,0,1]=4 749 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|1,0,1]=4 750 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,1,0,0,0,0|2,0,0]=4 751 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,1,0,0,0,0|1,0,1]=4 752 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,1,0,0,0,0|1,0,1]=4 753 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,1,0,0,0,0|1,0,1]=4 754 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,1,0,0,0,0|1,0,1]=4 755 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,1,0,0,0,0|1,0,1]=4 756 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 757 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 758 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 759 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,1,0,0,0,0|1,0,1]=4 760 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,1,0,0,0,0|2,0,0]=4 761 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,1,0,0,0,0|2,0,0]=4 762 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,1,0,0,0,0|2,0,0]=4 763 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,1,0,0,0,0|2,0,0]=4 764 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,1,0,0,0,0|2,0,0]=4 765 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|2,0,0]=4 766 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|2,0,0]=4 767 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|2,0,0]=4 768 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,1,0,0,0,0|2,0,0]=4 769 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,1,0,0,0,0|2,0,0]=4 770 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,1,0,0,0,0|2,0,0]=4 771 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,1,0,0,0,0|2,0,0]=4 772 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|2,0,0]=4 773 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|1,0,0]=3 774 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|1,0,0]=3 775 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [1,1,0,0,0,0|2,0,0]=4 776 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|1,1,0]=4 777 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|1,1,0]=4 778 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,1,0,0,0,0|2,0,0]=4 779 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,1,0,0,0,0|1,0,0]=3 780 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,1,0,0,0,0|1,0,0]=3 781 B6R0.4 C=C(F)COCF 34a_200010262243_100015361967 [1,1,0,0,0,0|2,0,0]=4 782 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,1,0,0,0,0|1,1,0]=4 783 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,1,0,0,0,0|1,1,0]=4 784 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|1,0,1]=4 785 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|1,0,1]=4 786 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 787 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 788 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|1,0,1]=4 789 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|1,0,1]=4 790 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|1,0,1]=4 791 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 792 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 793 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 794 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|1,0,1]=4 795 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|1,0,1]=4 796 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|1,0,1]=4 797 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|0,0,1]=3 798 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|0,0,1]=3 799 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|1,0,1]=4 800 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|1,0,1]=4 801 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|1,0,1]=4 802 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|1,0,1]=4 803 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|1,0,1]=4 804 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|1,0,1]=4 805 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|1,0,1]=4 806 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 807 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 808 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 809 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|1,0,1]=4 810 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|2,0,0]=4 811 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|2,0,0]=4 812 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|2,0,0]=4 813 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|1,0,1]=4 814 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|0,0,1]=3 815 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|0,0,1]=3 816 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,1,0,0,0,0|1,0,0]=3 817 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|0,0,1]=3 818 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,1,0,0,0,0|1,0,0]=3 819 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,1,0,0,0,0|2,0,0]=4 820 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|0,1,1]=4 821 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,1,0,0,0,0|1,1,0]=4 822 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,1,0,0,0,0|1,1,0]=4 823 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|0,1,1]=4 824 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,1,0,0,0,0|1,1,0]=4 825 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,1,0,0,0,0|1,1,0]=4 826 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|1,0,1]=4 827 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,1,0,0,0,0|2,0,0]=4 828 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,1,0,0,0,0|2,0,0]=4 829 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,1,0,0,0,0|2,0,0]=4 830 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|0,0,1]=3 831 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,1,0,0,0,0|2,0,0]=4 832 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|1,0,1]=4 833 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|1,0,1]=4 834 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 835 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 836 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,1,0,0,0,0|2,0,0]=4 837 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,1,0,0,0,0|2,0,0]=4 838 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,1,0,0,0,0|2,0,0]=4 839 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|1,0,1]=4 840 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|0,0,1]=3 841 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|1,0,1]=4 842 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|1,0,1]=4 843 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|1,0,1]=4 844 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|1,0,1]=4 845 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,1,0,0,0,0|2,0,0]=4 846 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,1,0,0,0,0|2,0,0]=4 847 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|1,0,1]=4 848 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|0,0,1]=3 849 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|0,0,1]=3 850 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,1,0,0,0,0|2,0,0]=4 851 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,1,0,0,0,0|2,0,0]=4 852 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,1,0,0,0,0|2,0,0]=4 853 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,1,0,0,0,0|2,0,0]=4 854 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,1,0,0,0,0|2,0,0]=4 855 B6R0.6 C#CCOCC=C 34a_100000210247_100015514636 [1,1,0,0,0,0|0,0,2]=4 856 B6R0.6 C#CCOCC=C 34a_200000210373_100000184674 [1,1,0,0,0,0|0,0,2]=4 857 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,1,0,0,0,0|1,0,1]=4 858 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,1,0,0,0,0|1,0,1]=4 859 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,1,0,0,0,0|0,0,1]=3 860 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,1,0,0,0,0|0,0,1]=3 861 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [1,1,0,0,0,0|1,0,1]=4 862 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,1,0,0,0,0|0,1,1]=4 863 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,1,0,0,0,0|0,1,1]=4 864 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,1,0,0,0,0|1,0,1]=4 865 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,1,0,0,0,0|1,0,1]=4 866 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,1,0,0,0,0|1,0,1]=4 867 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,1,0,0,0,0|1,0,1]=4 868 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,1,0,0,0,0|1,0,1]=4 869 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,1,0,0,0,0|1,0,1]=4 870 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,1,0,0,0,0|1,0,1]=4 871 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,1,0,0,0,0|1,0,1]=4 872 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,1,0,0,0,0|1,0,1]=4 873 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,1,0,0,0,0|1,0,1]=4 874 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,1,0,0,0,0|1,0,1]=4 875 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,1,0,0,0,0|1,0,1]=4 876 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,1,0,0,0,0|1,0,1]=4 877 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,1,0,0,0,0|1,0,1]=4 878 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,1,0,0,0,0|1,0,1]=4 879 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,1,0,0,0,0|1,0,1]=4 880 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,1,0,0,0,0|1,0,1]=4 881 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,1,0,0,0,0|1,0,1]=4 882 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,1,0,0,0,0|0,0,1]=3 883 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,1,0,0,0,0|0,0,1]=3 884 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [1,1,0,0,0,0|1,0,1]=4 885 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,1,0,0,0,0|0,1,1]=4 886 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,1,0,0,0,0|0,1,1]=4 887 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,1,0,0,0,0|1,0,1]=4 888 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [1,1,0,0,0,0|1,0,1]=4 889 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [1,1,0,0,0,0|1,0,1]=4 890 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,1,0,0,0,0|1,0,1]=4 891 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,1,0,0,0,0|1,0,1]=4 892 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,1,0,0,0,0|1,0,1]=4 893 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [1,1,0,0,0,0|1,0,1]=4 894 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [1,1,0,0,0,0|1,0,1]=4 895 B6R0.6 C=CCOCC=C 34a_200000210373_100015514636 [1,1,0,0,0,0|0,0,2]=4 896 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [1,1,0,0,0,0|0,0,2]=4 897 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [1,1,0,0,0,0|0,0,1]=3 898 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,1,0,0,0,0|0,0,1]=3 899 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,1,0,0,0,0|0,0,1]=3 900 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [1,1,0,0,0,0|0,0,1]=3 901 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,1,0,0,0,0|0,0,1]=3 902 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,1,0,0,0,0|0,0,1]=3 903 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [1,1,0,0,0,0|0,0,1]=3 904 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,1,0,0,0,0|0,1,1]=4 905 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,1,0,0,0,0|0,1,1]=4 906 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [1,1,0,0,0,0|0,1,1]=4 907 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [1,1,0,0,0,0|0,1,1]=4 908 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,1,0,0,0,0|0,1,1]=4 909 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,1,0,0,0,0|0,1,1]=4 910 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [1,1,0,0,0,0|0,1,1]=4 911 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [1,1,0,0,0,0|0,1,1]=4 912 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [1,1,0,0,0,0|0,1,1]=4 913 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [1,1,0,0,0,0|0,1,1]=4 914 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [1,1,0,0,0,0|2,0,0]=4 915 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [1,1,0,0,0,0|2,0,0]=4 916 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [1,1,0,0,0,0|2,0,0]=4 917 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [1,1,0,0,0,0|2,0,0]=4 918 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [1,1,0,0,0,0|2,0,0]=4 919 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [1,1,0,0,0,0|2,0,0]=4 920 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [1,1,0,0,0,0|2,0,0]=4 921 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [1,1,0,0,0,0|2,0,0]=4 922 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [1,1,0,0,0,0|2,0,0]=4 923 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [1,1,0,0,0,0|2,0,0]=4 924 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,1,0,0,0,0|1,0,1]=4 925 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,1,0,0,0,0|0,0,1]=3 926 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,1,0,0,0,0|0,1,1]=4 927 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,1,0,0,0,0|0,1,1]=4 928 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,1,0,0,0,0|1,0,1]=4 929 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,1,0,0,0,0|1,0,1]=4 930 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,1,0,0,0,0|1,0,1]=4 931 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [1,1,0,0,0,0|1,0,1]=4 932 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [1,1,0,0,0,0|1,0,1]=4 933 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [1,1,0,0,0,0|1,0,1]=4 934 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [1,1,0,0,0,0|1,0,1]=4 935 B6R0.9 C=CC(C=C)OC 34a_100000033096_200000210301 [1,1,0,0,0,0|1,0,1]=4 936 B6R0.9 C=CC(C=C)O[13CH3] 34a_100000033096_200025704644 [1,1,0,0,0,0|1,0,1]=4 937 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,1,0,0,0,0|0,0,2]=4 938 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,1,0,0,0,0|0,0,2]=4 939 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,1,0,0,0,0|0,0,2]=4 940 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,1,0,0,0,0|0,0,2]=4 941 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [1,1,0,0,0,0|1,0,1]=4 942 B8R0.2 C=C(Br)C(=O)N(C)CC 11a_100000225621_100009813364 [0,2,0,0,0,0|1,0,0]=3 943 B8R0.2 C=C(Br)C(=O)N(C)CC 1626a_100000225621_100009813364 [0,2,0,0,0,0|1,0,0]=3 944 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,2,0,0,0,0|1,0,0]=3 945 B8R0.2 C=C(C)C(=O)N(C)CC 11a_100000225621_100000185857 [0,2,0,0,0,0|1,0,0]=3 946 B8R0.2 C=C(C)C(=O)N(C)CC 1626a_100000225621_100000185857 [0,2,0,0,0,0|1,0,0]=3 947 B8R0.2 C=C(Cl)C(=O)N(C)CC 11a_100000225621_100000039160 [0,2,0,0,0,0|1,0,0]=3 948 B8R0.2 C=C(Cl)C(=O)N(C)CC 1626a_100000225621_100000039160 [0,2,0,0,0,0|1,0,0]=3 949 B8R0.2 C=C(F)C(=O)N(C)CC 11a_100000225621_100000036797 [0,2,0,0,0,0|1,0,0]=3 950 B8R0.2 C=C(F)C(=O)N(C)CC 1626a_100000225621_100000036797 [0,2,0,0,0,0|1,0,0]=3 951 B8R0.2 C=CC(=O)C(C)C(=O)C 1458a_100000185746_100000179758 [0,2,0,0,0,0|1,0,1]=4 952 B8R0.2 C=CC(=O)N(C)C(C)C 1626a_200000211004_100000185746 [0,2,0,0,0,0|1,0,0]=3 953 B8R0.2 C=CC(=O)N(C)C(C)C 240690a_200000211004_200121576911 [0,2,0,0,0,0|1,0,0]=3 954 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [0,2,0,0,0,0|2,0,0]=4 955 B8R0.5 C/C=C/C(C)OC(C)C 34a_200102604097_100000210206 [0,2,0,0,0,0|1,0,1]=4 956 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [0,2,0,0,0,0|1,0,1]=4 957 B8R0.5 C=C(C)CC(=O)C=CBr 1458a_100016273825_100000748629 [0,2,0,0,0,0|1,0,1]=4 958 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,2,0,0,0,0|1,0,1]=4 959 B8R0.5 C=C(C)CC(=O)C=CCl 1458a_200016279998_100000748629 [0,2,0,0,0,0|1,0,1]=4 960 B8R0.5 C=C(C)CC(=O)C=CI 1458a_100016256311_100000748629 [0,2,0,0,0,0|1,0,1]=4 961 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,2,0,0,0,0|1,0,0]=3 962 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,2,0,0,0,0|2,0,0]=4 963 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,2,0,0,0,0|2,0,0]=4 964 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,2,0,0,0,0|2,0,0]=4 965 B8R0.5 C=C(F)CC(=O)C#CC 1458a_100000763181_100009893438 [0,2,0,0,0,0|1,0,1]=4 966 B8R0.5 C=C(F)CC(=O)C=CC 1458a_100000210699_100009893438 [0,2,0,0,0,0|1,0,1]=4 967 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,2,0,0,0,0|1,0,0]=3 968 B8R0.5 C=C(F)CC(=O)CCO 1458a_100011216618_100009893438 [0,2,0,0,0,0|2,0,0]=4 969 B8R0.5 C=C(F)CC(=O)COC 1458a_100000210968_100009893438 [0,2,0,0,0,0|2,0,0]=4 970 B8R0.5 C=C(F)CC(=O)CSC 1458a_100000184570_100009893438 [0,2,0,0,0,0|2,0,0]=4 971 B8R0.5 C=CCC(=O)C=C(C)C 1458a_100000211388_100000210623 [0,2,0,0,0,0|1,0,1]=4 972 B8R0.5 C=CCC(=O)C=C(C)Cl 1458a_200042562850_100000210623 [0,2,0,0,0,0|1,0,1]=4 973 B8R0.5 C=CCC(=O)C=C(C)I 1458a_100025716642_100000210623 [0,2,0,0,0,0|1,0,1]=4 974 B8R0.5 C=CCC(=O)CC(=C)C 1458a_100000210193_100000748629 [0,2,0,0,0,0|1,0,1]=4 975 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,2,0,0,0,0|1,0,0]=3 976 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,2,0,0,0,0|1,0,0]=3 977 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [0,2,0,0,0,0|1,0,0]=3 978 B8R0.5 C=CCC(=O)CC(F)F 1458a_100000210193_100011934356 [0,2,0,0,0,0|2,0,0]=4 979 B8R0.5 C=CCC(=O)CN(C)C 1458a_100000750896_100000210623 [0,2,0,0,0,0|2,0,0]=4 980 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [0,2,0,0,0,0|1,0,0]=3 981 B8R0.5 C=CCC(=O)C[S+](C)C 1458a_200159257847_100000210623 [0,2,0,0,0,0|2,0,0]=4 982 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [0,2,0,0,0,0|1,0,0]=3 983 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [0,2,0,0,0,0|1,0,0]=3 984 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [0,2,0,0,0,0|1,0,0]=3 985 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [0,2,0,0,0,0|1,0,0]=3 986 B8R0.5 C=CC[C@@H](C)OC(C)C 34a_100000731007_100000210206 [0,2,0,0,0,0|1,0,1]=4 987 B8R0.5 C=CC[C@@H](C)OC(C)C 7a_100000731007_100000210206 [0,2,0,0,0,0|1,0,1]=4 988 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,2,0,0,0,0|1,0,1]=4 989 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [0,2,0,0,0,0|2,0,0]=4 990 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [0,2,0,0,0,0|2,0,0]=4 991 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,2,0,0,0,0|2,0,0]=4 992 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,2,0,0,0,0|2,0,0]=4 993 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [0,2,0,0,0,0|2,0,0]=4 994 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,2,0,0,0,0|2,0,0]=4 995 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,2,0,0,0,0|2,0,0]=4 996 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [0,2,0,0,0,0|2,0,0]=4 997 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [0,2,0,0,0,0|1,0,0]=3 998 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [0,2,0,0,0,0|1,0,0]=3 999 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [0,2,0,0,0,0|1,0,0]=3 1000 B8R0.5 CC(C)NC(=O)C=CBr 1626a_100138425928_100016273825 [0,2,0,0,0,0|1,0,0]=3 1001 B8R0.5 CC(C)NC(=O)C=CBr 240690a_100138425928_100016273825 [0,2,0,0,0,0|1,0,0]=3 1002 B8R0.5 CC(C)NC(=O)C=CCl 11a_100138425928_200016279998 [0,2,0,0,0,0|1,0,0]=3 1003 B8R0.5 CC(C)NC(=O)C=CCl 1626a_100138425928_200016279998 [0,2,0,0,0,0|1,0,0]=3 1004 B8R0.5 CC(C)NC(=O)C=CCl 240690a_100138425928_200016279998 [0,2,0,0,0,0|1,0,0]=3 1005 B8R0.5 CC(C)NC(=O)C=CI 1626a_100138425928_100016256311 [0,2,0,0,0,0|1,0,0]=3 1006 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,2,0,0,0,0|0,0,2]=4 1007 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,2,0,0,0,0|0,0,2]=4 1008 B8R0.5 CC(O)CC(=O)C=CBr 1458a_100016273825_100011218427 [0,2,0,0,0,0|1,0,0]=3 1009 B8R0.5 CC(O)CC(=O)C=CCl 1458a_200016279998_100011218427 [0,2,0,0,0,0|1,0,0]=3 1010 B8R0.5 CC(O)CC(=O)C=CI 1458a_100016256311_100011218427 [0,2,0,0,0,0|1,0,0]=3 1011 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,2,0,0,0,0|1,0,0]=3 1012 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,2,0,0,0,0|1,0,0]=3 1013 B8R0.5 CC=CC(=O)CC(F)F 1458a_100000210699_100011934356 [0,2,0,0,0,0|2,0,0]=4 1014 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,2,0,0,0,0|1,0,0]=3 1015 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,2,0,0,0,0|1,0,0]=3 1016 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,2,0,0,0,0|1,0,0]=3 1017 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,2,0,0,0,0|2,0,0]=4 1018 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,2,0,0,0,0|2,0,0]=4 1019 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,2,0,0,0,0|1,0,0]=3 1020 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,2,0,0,0,0|1,0,0]=3 1021 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,2,0,0,0,0|1,0,0]=3 1022 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [0,2,0,0,0,0|1,0,0]=3 1023 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,2,0,0,0,0|1,0,1]=4 1024 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,2,0,0,0,0|1,0,1]=4 1025 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,2,0,0,0,0|1,0,1]=4 1026 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,2,0,0,0,0|1,0,1]=4 1027 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,2,0,0,0,0|1,0,0]=3 1028 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,2,0,0,0,0|1,0,0]=3 1029 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,2,0,0,0,0|1,0,0]=3 1030 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,2,0,0,0,0|1,0,0]=3 1031 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,2,0,0,0,0|1,0,0]=3 1032 B8R0.5 CCNC(=O)C=C(Cl)Cl 240690a_100015525214_100000137448 [0,2,0,0,0,0|1,0,0]=3 1033 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,2,0,0,0,0|1,0,1]=4 1034 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,2,0,0,0,0|1,0,1]=4 1035 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,2,0,0,0,0|1,0,1]=4 1036 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,2,0,0,0,0|0,0,1]=3 1037 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,2,0,0,0,0|0,0,1]=3 1038 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,2,0,0,0,0|0,0,1]=3 1039 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,2,0,0,0,0|0,0,2]=4 1040 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,2,0,0,0,0|0,0,2]=4 1041 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,2,0,0,0,0|0,0,2]=4 1042 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,2,0,0,0,0|0,0,2]=4 1043 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,2,0,0,0,0|1,0,1]=4 1044 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,2,0,0,0,0|0,0,2]=4 1045 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,2,0,0,0,0|0,0,2]=4 1046 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,2,0,0,0,0|0,0,2]=4 1047 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [0,2,0,0,0,0|2,0,0]=4 1048 B8R0.5 CNNC(=O)C=C(C)Cl 22a_100016993582_200042562850 [0,2,0,0,0,0|2,0,0]=4 1049 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,2,0,0,0,0|0,0,2]=4 1050 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,2,0,0,0,0|0,0,2]=4 1051 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,2,0,0,0,0|0,0,2]=4 1052 B8R0.5 O=C(C=C(Cl)Cl)CCF 1458a_100000137448_100011217306 [0,2,0,0,0,0|2,0,0]=4 1053 B8R0.5 O=C(C=C(Cl)Cl)CCO 1458a_100000137448_100000211926 [0,2,0,0,0,0|2,0,0]=4 1054 B8R0.5 O=C(C=CBr)CC(F)F 1458a_100016273825_100011934356 [0,2,0,0,0,0|2,0,0]=4 1055 B8R0.5 O=C(C=CCl)CC(F)F 1458a_200016279998_100011934356 [0,2,0,0,0,0|2,0,0]=4 1056 B8R0.5 O=C(C=CI)CC(F)F 1458a_100016256311_100011934356 [0,2,0,0,0,0|2,0,0]=4 1057 B8R0.16 C=CC(C=C)OC(C)C 34a_100000033096_100000210206 [0,2,0,0,0,0|1,0,1]=4 1058 B8R0.16 C=CC(CC)OC(C)C 34a_100000766422_100000210206 [0,2,0,0,0,0|1,0,1]=4 1059 B8R0.16 C=CC(CC)OC(C)C 7a_100000766422_100000210206 [0,2,0,0,0,0|1,0,1]=4 1060 B8R0.16 CC(C)OC(C=O)C=O 34a_100000212225_100000736813 [0,2,0,0,0,0|1,0,1]=4 1061 B8R0.19 C#CC(C)NC(=O)C=C 1626a_100000707721_100000185746 [0,2,0,0,0,0|1,0,0]=3 1062 B8R0.19 C#CC(C)NC(=O)C=C 240690a_100000707721_200121576911 [0,2,0,0,0,0|1,0,0]=3 1063 B8R0.19 C#CC(C)OC(C)C=C 34a_100000695699_200000035995 [0,2,0,0,0,0|1,0,1]=4 1064 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,2,0,0,0,0|1,0,0]=3 1065 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [0,2,0,0,0,0|1,0,1]=4 1066 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [0,2,0,0,0,0|1,0,1]=4 1067 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,2,0,0,0,0|1,0,0]=3 1068 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,2,0,0,0,0|1,0,0]=3 1069 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,2,0,0,0,0|1,0,0]=3 1070 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,2,0,0,0,0|1,0,0]=3 1071 B8R0.19 C=CC(=O)NC(C)C#N 1626a_100000737613_100000185746 [0,2,0,0,0,0|1,0,0]=3 1072 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,2,0,0,0,0|1,0,0]=3 1073 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,2,0,0,0,0|1,0,0]=3 1074 B8R0.19 C=CC(=O)N[C@H](C)CF 1626a_100102880703_100000185746 [0,2,0,0,0,0|1,0,0]=3 1075 B8R0.19 C=CC(=O)N[C@H](C)CF 240690a_100102880703_200121576911 [0,2,0,0,0,0|1,0,0]=3 1076 B8R0.19 C=CC(=O)N[C@H](C)CO 240690a_100000737577_200121576911 [0,2,0,0,0,0|1,0,0]=3 1077 B8R0.19 C=CC(C)OC(C)CC 34a_100000695699_100011215416 [0,2,0,0,0,0|1,0,1]=4 1078 B8R0.19 C=CC(C)OC(C)CO 34a_100000695699_100012180447 [0,2,0,0,0,0|1,0,1]=4 1079 B8R0.23 C=C(Br)C(=O)NC(C)C 11a_100138425928_100009813364 [0,2,0,0,0,0|1,0,0]=3 1080 B8R0.23 C=C(Br)C(=O)NC(C)C 1626a_100138425928_100009813364 [0,2,0,0,0,0|1,0,0]=3 1081 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,2,0,0,0,0|1,0,0]=3 1082 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,2,0,0,0,0|1,0,0]=3 1083 B8R0.23 C=C(C)C(=O)CC(F)F 1458a_100000185857_100011934356 [0,2,0,0,0,0|2,0,0]=4 1084 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,2,0,0,0,0|1,0,0]=3 1085 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,2,0,0,0,0|1,0,0]=3 1086 B8R0.23 C=C(C)CC(=O)C(=C)C 1458a_100000185857_100000748629 [0,2,0,0,0,0|1,0,1]=4 1087 B8R0.23 C=C(Cl)C(=O)NC(C)C 11a_100138425928_100000039160 [0,2,0,0,0,0|1,0,0]=3 1088 B8R0.23 C=C(Cl)C(=O)NC(C)C 1626a_100138425928_100000039160 [0,2,0,0,0,0|1,0,0]=3 1089 B8R0.23 C=C(F)C(=O)NC(C)C 11a_100138425928_100000036797 [0,2,0,0,0,0|1,0,0]=3 1090 B8R0.23 C=C(F)C(=O)NC(C)C 1626a_100138425928_100000036797 [0,2,0,0,0,0|1,0,0]=3 1091 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,2,0,0,0,0|1,0,1]=4 1092 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,2,0,0,0,0|2,0,0]=4 1093 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,2,0,0,0,0|1,0,1]=4 1094 B8R0.24 C=CC(=O)C[Si](C)(C)C 1458a_100000185746_100000233785 [0,2,0,0,0,0|1,1,0]=4 1095 B8R0.24 C=CC(=O)NC(C)(C)C 1626a_100000715429_100000185746 [0,2,0,0,0,0|1,0,0]=3 1096 B8R0.24 C=CC(=O)NC(C)(C)C 240690a_100000715429_200121576911 [0,2,0,0,0,0|1,0,0]=3 1097 B8R0.24 C=CC(=O)NS(=O)(=O)C 2740a_100000171171_100000185746 [0,2,0,0,0,0|2,0,0]=4 1098 B8R0.24 C=CC(C)OC(C)(C)C 34a_100000695699_100000210625 [0,2,0,0,0,0|1,0,1]=4 1099 B8R0.34 C=CC(C)(C)OC(C)C 34a_100011215311_100000210206 [0,2,0,0,0,0|1,0,1]=4 1100 B8R0.34 C=CC(C)(C)OC(C)C 7a_100011215311_100000210206 [0,2,0,0,0,0|1,0,1]=4 1101 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [0,2,0,0,0,0|0,0,2]=4 1102 B8R0.1 C#CCCC(=O)C=CBr 1458a_100016273825_100000753159 [0,2,0,0,0,0|1,0,1]=4 1103 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [0,2,0,0,0,0|1,0,1]=4 1104 B8R0.1 C#CCCC(=O)C=CCl 1458a_200016279998_100000753159 [0,2,0,0,0,0|1,0,1]=4 1105 B8R0.1 C#CCCC(=O)C=CI 1458a_100016256311_100000753159 [0,2,0,0,0,0|1,0,1]=4 1106 B8R0.1 C#CCCC(=O)CC=C 1458a_100000210193_100000753159 [0,2,0,0,0,0|1,0,1]=4 1107 B8R0.1 C#CCCC(=O)CC=C 1458a_100000692101_100000210623 [0,2,0,0,0,0|1,0,1]=4 1108 B8R0.1 C#CCNC(=O)C=CBr 1626a_100000212058_100016273825 [0,2,0,0,0,0|1,0,1]=4 1109 B8R0.1 C#CCNC(=O)C=CBr 240690a_100000212058_100016273825 [0,2,0,0,0,0|1,0,1]=4 1110 B8R0.1 C#CCNC(=O)C=CC 11a_100000212058_100000210699 [0,2,0,0,0,0|1,0,1]=4 1111 B8R0.1 C#CCNC(=O)C=CC 1626a_100000212058_100000210699 [0,2,0,0,0,0|1,0,1]=4 1112 B8R0.1 C#CCNC(=O)C=CC 240690a_100000212058_100000210699 [0,2,0,0,0,0|1,0,1]=4 1113 B8R0.1 C#CCNC(=O)C=CCl 11a_100000212058_200016279998 [0,2,0,0,0,0|1,0,1]=4 1114 B8R0.1 C#CCNC(=O)C=CCl 1626a_100000212058_200016279998 [0,2,0,0,0,0|1,0,1]=4 1115 B8R0.1 C#CCNC(=O)C=CCl 240690a_100000212058_200016279998 [0,2,0,0,0,0|1,0,1]=4 1116 B8R0.1 C#CCNC(=O)C=CI 1626a_100000212058_100016256311 [0,2,0,0,0,0|1,0,1]=4 1117 B8R0.1 C#CCNC(=O)CC=C 11a_100000212058_100000210193 [0,2,0,0,0,0|1,0,1]=4 1118 B8R0.1 C#CCNC(=O)CC=C 1626a_100000212058_100000210193 [0,2,0,0,0,0|1,0,1]=4 1119 B8R0.1 C#CCNC(=O)CC=C 240690a_100000212058_100000210193 [0,2,0,0,0,0|1,0,1]=4 1120 B8R0.1 C#CCNC(=O)CC=C 527a_100000212058_100000210193 [0,2,0,0,0,0|1,0,1]=4 1121 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [0,2,0,0,0,0|1,0,1]=4 1122 B8R0.1 C/C=C/C(C)OCCF 34a_200102604097_100011217306 [0,2,0,0,0,0|1,0,1]=4 1123 B8R0.1 C/C=C/C(C)OCCO 34a_200102604097_100000211926 [0,2,0,0,0,0|1,0,1]=4 1124 B8R0.1 C/C=C/C(C)OCSC 34a_200102604097_100011218213 [0,2,0,0,0,0|1,0,1]=4 1125 B8R0.1 C/C=C/CC(=O)C=CBr 1458a_100016273825_100102629194 [0,2,0,0,0,0|1,0,1]=4 1126 B8R0.1 C/C=C/CC(=O)C=CCl 1458a_200016279998_100102629194 [0,2,0,0,0,0|1,0,1]=4 1127 B8R0.1 C/C=C/CC(=O)C=CI 1458a_100016256311_100102629194 [0,2,0,0,0,0|1,0,1]=4 1128 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,2,0,0,0,0|1,0,0]=3 1129 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,2,0,0,0,0|2,0,0]=4 1130 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,2,0,0,0,0|2,0,0]=4 1131 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,2,0,0,0,0|2,0,0]=4 1132 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,2,0,0,0,0|1,0,0]=3 1133 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [0,2,0,0,0,0|2,0,0]=4 1134 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [0,2,0,0,0,0|2,0,0]=4 1135 B8R0.1 C=CC=CC(=O)NNC 22a_100016993582_100016291481 [0,2,0,0,0,0|2,0,0]=4 1136 B8R0.1 C=CCC(=O)C#CCC 1458a_100011827653_100000210623 [0,2,0,0,0,0|1,0,0]=3 1137 B8R0.1 C=CCC(=O)C#CCO 1458a_100000049017_100000210623 [0,2,0,0,0,0|1,0,1]=4 1138 B8R0.1 C=CCC(=O)C/C=C/C 1458a_100000210193_100102629194 [0,2,0,0,0,0|1,0,1]=4 1139 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,2,0,0,0,0|1,0,0]=3 1140 B8R0.1 C=CCC(=O)C=COC 1458a_100016268678_100000210623 [0,2,0,0,0,0|1,0,1]=4 1141 B8R0.1 C=CCC(=O)CC#CC 1458a_100000210193_100000748600 [0,2,0,0,0,0|1,0,1]=4 1142 B8R0.1 C=CCC(=O)CC=CC 1458a_100000210193_100000070051 [0,2,0,0,0,0|1,0,1]=4 1143 B8R0.1 C=CCC(=O)CC=CC 1458a_100121576822_100000210623 [0,2,0,0,0,0|1,0,1]=4 1144 B8R0.1 C=CCC(=O)CCC#N 1458a_100000210193_100011215226 [0,2,0,0,0,0|1,0,1]=4 1145 B8R0.1 C=CCC(=O)CCC#N 1458a_100011934036_100000210623 [0,2,0,0,0,0|1,0,1]=4 1146 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,2,0,0,0,0|1,0,0]=3 1147 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,2,0,0,0,0|1,0,0]=3 1148 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,2,0,0,0,0|1,0,0]=3 1149 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,2,0,0,0,0|1,0,0]=3 1150 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,2,0,0,0,0|1,0,0]=3 1151 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,2,0,0,0,0|1,0,0]=3 1152 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,2,0,0,0,0|1,0,0]=3 1153 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,2,0,0,0,0|1,0,0]=3 1154 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,2,0,0,0,0|0,0,0]=2 1155 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,2,0,0,0,0|0,1,0]=3 1156 B8R0.1 C=CCC(=O)NCC#N 1626a_100000734998_100000210193 [0,2,0,0,0,0|1,0,1]=4 1157 B8R0.1 C=CCC(=O)NCC#N 527a_100000734998_100000210193 [0,2,0,0,0,0|1,0,1]=4 1158 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,2,0,0,0,0|1,0,0]=3 1159 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,2,0,0,0,0|1,0,0]=3 1160 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,2,0,0,0,0|1,0,0]=3 1161 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,2,0,0,0,0|1,0,0]=3 1162 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [0,2,0,0,0,0|1,0,0]=3 1163 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [0,2,0,0,0,0|1,0,0]=3 1164 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [0,2,0,0,0,0|1,0,0]=3 1165 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [0,2,0,0,0,0|1,0,0]=3 1166 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [0,2,0,0,0,0|1,0,0]=3 1167 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [0,2,0,0,0,0|1,0,0]=3 1168 B8R0.1 C=CCC(=O)NNCC 22a_100000756455_100000210193 [0,2,0,0,0,0|1,0,0]=3 1169 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [0,2,0,0,0,0|1,0,1]=4 1170 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [0,2,0,0,0,0|1,0,1]=4 1171 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [0,2,0,0,0,0|1,0,1]=4 1172 B8R0.1 C=CCCC(=O)C=CBr 1458a_100016273825_100000754431 [0,2,0,0,0,0|1,0,1]=4 1173 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,2,0,0,0,0|1,0,1]=4 1174 B8R0.1 C=CCCC(=O)C=CCl 1458a_200016279998_100000754431 [0,2,0,0,0,0|1,0,1]=4 1175 B8R0.1 C=CCCC(=O)C=CI 1458a_100016256311_100000754431 [0,2,0,0,0,0|1,0,1]=4 1176 B8R0.1 C=CCCC(=O)CC=C 1458a_100000210193_100000754431 [0,2,0,0,0,0|1,0,1]=4 1177 B8R0.1 C=CCCC(=O)CC=C 1458a_100000749702_100000210623 [0,2,0,0,0,0|1,0,1]=4 1178 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,2,0,0,0,0|1,0,0]=3 1179 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,2,0,0,0,0|1,0,0]=3 1180 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,2,0,0,0,0|2,0,0]=4 1181 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,2,0,0,0,0|2,0,0]=4 1182 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,2,0,0,0,0|2,0,0]=4 1183 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,2,0,0,0,0|2,0,0]=4 1184 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,2,0,0,0,0|2,0,0]=4 1185 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,2,0,0,0,0|1,0,0]=3 1186 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,2,0,0,0,0|1,0,0]=3 1187 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,2,0,0,0,0|1,0,0]=3 1188 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [0,2,0,0,0,0|2,0,0]=4 1189 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,2,0,0,0,0|1,0,1]=4 1190 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,2,0,0,0,0|1,0,1]=4 1191 B8R0.1 C=CCN(C)COCC 269982a_100000225617_100000739092 [0,2,0,0,0,0|2,0,0]=4 1192 B8R0.1 C=CCNC(=O)C=CBr 1626a_100020586998_100016273825 [0,2,0,0,0,0|1,0,1]=4 1193 B8R0.1 C=CCNC(=O)C=CBr 240690a_100020586998_100016273825 [0,2,0,0,0,0|1,0,1]=4 1194 B8R0.1 C=CCNC(=O)C=CC 1626a_100020586998_100000210699 [0,2,0,0,0,0|1,0,1]=4 1195 B8R0.1 C=CCNC(=O)C=CC 240690a_100020586998_100000210699 [0,2,0,0,0,0|1,0,1]=4 1196 B8R0.1 C=CCNC(=O)C=CCl 1626a_100020586998_200016279998 [0,2,0,0,0,0|1,0,1]=4 1197 B8R0.1 C=CCNC(=O)C=CCl 240690a_100020586998_200016279998 [0,2,0,0,0,0|1,0,1]=4 1198 B8R0.1 C=CCNC(=O)C=CI 1626a_100020586998_100016256311 [0,2,0,0,0,0|1,0,1]=4 1199 B8R0.1 C=CCNC(=O)CC=C 1626a_100020586998_100000210193 [0,2,0,0,0,0|1,0,1]=4 1200 B8R0.1 C=CCNC(=O)CC=C 240690a_100020586998_100000210193 [0,2,0,0,0,0|1,0,1]=4 1201 B8R0.1 C=CCNC(=O)CC=C 527a_100020586998_100000210193 [0,2,0,0,0,0|1,0,1]=4 1202 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,2,0,0,0,0|1,0,0]=3 1203 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,2,0,0,0,0|1,0,0]=3 1204 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,2,0,0,0,0|1,0,0]=3 1205 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,2,0,0,0,0|2,0,0]=4 1206 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [0,2,0,0,0,0|2,0,0]=4 1207 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [0,2,0,0,0,0|2,0,0]=4 1208 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [0,2,0,0,0,0|2,0,0]=4 1209 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [0,2,0,0,0,0|2,0,0]=4 1210 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [0,2,0,0,0,0|2,0,0]=4 1211 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [0,2,0,0,0,0|2,0,0]=4 1212 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [0,2,0,0,0,0|2,0,0]=4 1213 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [0,2,0,0,0,0|2,0,0]=4 1214 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [0,2,0,0,0,0|2,0,0]=4 1215 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [0,2,0,0,0,0|2,0,0]=4 1216 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [0,2,0,0,0,0|2,0,0]=4 1217 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [0,2,0,0,0,0|2,0,0]=4 1218 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,2,0,0,0,0|1,0,0]=3 1219 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,2,0,0,0,0|1,0,0]=3 1220 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,2,0,0,0,0|1,0,0]=3 1221 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,2,0,0,0,0|1,0,0]=3 1222 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,2,0,0,0,0|1,0,0]=3 1223 B8R0.1 C=CCNC(=O)NNC 273464a_100020586998_100016993582 [0,2,0,0,0,0|2,0,0]=4 1224 B8R0.1 C=CCNC(=O)NNC 512a_100016993582_100020586998 [0,2,0,0,0,0|2,0,0]=4 1225 B8R0.1 C=CCNC(=O)NNC 512a_100020586998_100016993582 [0,2,0,0,0,0|2,0,0]=4 1226 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,2,0,0,0,0|2,0,0]=4 1227 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,2,0,0,0,0|2,0,0]=4 1228 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,2,0,0,0,0|2,0,0]=4 1229 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,2,0,0,0,0|2,0,0]=4 1230 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,2,0,0,0,0|2,0,0]=4 1231 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,2,0,0,0,0|2,0,0]=4 1232 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,2,0,0,0,0|2,0,0]=4 1233 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,2,0,0,0,0|2,0,0]=4 1234 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [0,2,0,0,0,0|1,0,1]=4 1235 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [0,2,0,0,0,0|1,0,1]=4 1236 B8R0.1 C=CC[C@@H](C)OCCF 34a_100000731007_100011217306 [0,2,0,0,0,0|1,0,1]=4 1237 B8R0.1 C=CC[C@@H](C)OCCF 7a_100000731007_100011217306 [0,2,0,0,0,0|1,0,1]=4 1238 B8R0.1 C=CC[C@@H](C)OCCO 34a_100000731007_100000211926 [0,2,0,0,0,0|1,0,1]=4 1239 B8R0.1 C=CC[C@@H](C)OCCO 7a_100000731007_100000211926 [0,2,0,0,0,0|1,0,1]=4 1240 B8R0.1 C=CC[C@@H](C)OCSC 34a_100000731007_100011218213 [0,2,0,0,0,0|1,0,1]=4 1241 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [0,2,0,0,0,0|1,0,1]=4 1242 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,2,0,0,0,0|1,0,0]=3 1243 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,2,0,0,0,0|0,0,0]=2 1244 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,2,0,0,0,0|0,1,0]=3 1245 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,2,0,0,0,0|0,1,0]=3 1246 B8R0.1 C=COC(=O)CSCF 62a_100000036128_100015361967 [0,2,0,0,0,0|1,1,0]=4 1247 B8R0.1 C=COC(=O)CSCF 62a_100015361967_100000036128 [0,2,0,0,0,0|1,1,0]=4 1248 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [0,2,0,0,0,0|1,0,1]=4 1249 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [0,2,0,0,0,0|1,0,1]=4 1250 B8R0.1 CC#CCC(=O)C=CBr 1458a_100016273825_100000748600 [0,2,0,0,0,0|1,0,1]=4 1251 B8R0.1 CC#CCC(=O)C=CC 1458a_100000210699_100000748600 [0,2,0,0,0,0|1,0,1]=4 1252 B8R0.1 CC#CCC(=O)C=CCl 1458a_200016279998_100000748600 [0,2,0,0,0,0|1,0,1]=4 1253 B8R0.1 CC#CCC(=O)C=CI 1458a_100016256311_100000748600 [0,2,0,0,0,0|1,0,1]=4 1254 B8R0.1 CC=CC(=NNCC)C 4a_100000756455_100011218416 [0,2,0,0,0,0|2,0,0]=4 1255 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,2,0,0,0,0|1,0,1]=4 1256 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [0,2,0,0,0,0|1,0,1]=4 1257 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,2,0,0,0,0|1,0,0]=3 1258 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,2,0,0,0,0|1,0,0]=3 1259 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,2,0,0,0,0|1,0,0]=3 1260 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,2,0,0,0,0|1,0,0]=3 1261 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,2,0,0,0,0|1,0,0]=3 1262 B8R0.1 CC=CC(=O)NCC#N 1626a_100000734998_100000210699 [0,2,0,0,0,0|1,0,1]=4 1263 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,2,0,0,0,0|1,0,0]=3 1264 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,2,0,0,0,0|1,0,0]=3 1265 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,2,0,0,0,0|1,0,0]=3 1266 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [0,2,0,0,0,0|1,0,0]=3 1267 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [0,2,0,0,0,0|1,0,0]=3 1268 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [0,2,0,0,0,0|1,0,0]=3 1269 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,2,0,0,0,0|1,0,0]=3 1270 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [0,2,0,0,0,0|1,0,0]=3 1271 B8R0.1 CC=CCC(=O)C=CBr 1458a_100016273825_100000070051 [0,2,0,0,0,0|1,0,1]=4 1272 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,2,0,0,0,0|1,0,1]=4 1273 B8R0.1 CC=CCC(=O)C=CCl 1458a_200016279998_100000070051 [0,2,0,0,0,0|1,0,1]=4 1274 B8R0.1 CC=CCC(=O)C=CI 1458a_100016256311_100000070051 [0,2,0,0,0,0|1,0,1]=4 1275 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,2,0,0,0,0|1,0,0]=3 1276 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,2,0,0,0,0|1,0,0]=3 1277 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,2,0,0,0,0|2,0,0]=4 1278 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,2,0,0,0,0|2,0,0]=4 1279 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,2,0,0,0,0|2,0,0]=4 1280 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,2,0,0,0,0|2,0,0]=4 1281 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,2,0,0,0,0|2,0,0]=4 1282 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,2,0,0,0,0|1,0,0]=3 1283 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,2,0,0,0,0|1,0,0]=3 1284 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,2,0,0,0,0|1,0,0]=3 1285 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,2,0,0,0,0|2,0,0]=4 1286 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,2,0,0,0,0|1,0,1]=4 1287 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,2,0,0,0,0|1,0,0]=3 1288 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,2,0,0,0,0|2,0,0]=4 1289 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,2,0,0,0,0|2,0,0]=4 1290 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,2,0,0,0,0|1,0,0]=3 1291 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,2,0,0,0,0|1,0,0]=3 1292 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,2,0,0,0,0|2,0,0]=4 1293 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,2,0,0,0,0|1,0,0]=3 1294 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,2,0,0,0,0|0,0,2]=4 1295 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,2,0,0,0,0|0,0,2]=4 1296 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,2,0,0,0,0|0,0,2]=4 1297 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,2,0,0,0,0|0,0,2]=4 1298 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,2,0,0,0,0|0,0,2]=4 1299 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,2,0,0,0,0|0,0,2]=4 1300 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,2,0,0,0,0|1,0,0]=3 1301 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,2,0,0,0,0|1,0,0]=3 1302 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,2,0,0,0,0|1,0,0]=3 1303 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,2,0,0,0,0|1,0,0]=3 1304 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,2,0,0,0,0|1,0,0]=3 1305 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,2,0,0,0,0|1,0,0]=3 1306 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,2,0,0,0,0|1,0,0]=3 1307 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,2,0,0,0,0|1,0,0]=3 1308 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,2,0,0,0,0|1,0,0]=3 1309 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,2,0,0,0,0|0,0,2]=4 1310 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,2,0,0,0,0|0,0,2]=4 1311 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,2,0,0,0,0|0,0,2]=4 1312 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,2,0,0,0,0|0,0,2]=4 1313 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,2,0,0,0,0|0,0,2]=4 1314 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,2,0,0,0,0|0,0,2]=4 1315 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,2,0,0,0,0|0,0,2]=4 1316 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,2,0,0,0,0|0,0,2]=4 1317 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,2,0,0,0,0|1,0,0]=3 1318 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,2,0,0,0,0|0,0,2]=4 1319 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,2,0,0,0,0|0,0,2]=4 1320 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,2,0,0,0,0|0,0,2]=4 1321 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,2,0,0,0,0|0,0,2]=4 1322 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,2,0,0,0,0|0,0,2]=4 1323 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,2,0,0,0,0|0,0,2]=4 1324 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,2,0,0,0,0|0,0,2]=4 1325 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,2,0,0,0,0|0,0,2]=4 1326 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,2,0,0,0,0|0,0,2]=4 1327 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,2,0,0,0,0|0,0,2]=4 1328 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,2,0,0,0,0|0,0,2]=4 1329 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,2,0,0,0,0|0,0,2]=4 1330 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,2,0,0,0,0|0,0,2]=4 1331 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,2,0,0,0,0|0,0,2]=4 1332 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,2,0,0,0,0|0,0,2]=4 1333 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,2,0,0,0,0|0,0,2]=4 1334 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,2,0,0,0,0|0,0,2]=4 1335 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,2,0,0,0,0|0,0,2]=4 1336 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,2,0,0,0,0|0,0,2]=4 1337 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [0,2,0,0,0,0|0,0,2]=4 1338 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,2,0,0,0,0|0,0,2]=4 1339 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,2,0,0,0,0|0,0,2]=4 1340 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,2,0,0,0,0|1,0,1]=4 1341 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,2,0,0,0,0|1,0,1]=4 1342 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,2,0,0,0,0|0,0,2]=4 1343 B8R0.1 CNNC(=O)C=COC 22a_100016993582_100016268678 [0,2,0,0,0,0|2,0,0]=4 1344 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [0,2,0,0,0,0|2,0,0]=4 1345 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [0,2,0,0,0,0|2,0,0]=4 1346 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [0,2,0,0,0,0|1,0,0]=3 1347 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [0,2,0,0,0,0|1,0,0]=3 1348 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [0,2,0,0,0,0|1,0,0]=3 1349 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,2,0,0,0,0|1,0,0]=3 1350 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,2,0,0,0,0|1,0,0]=3 1351 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,2,0,0,0,0|1,0,0]=3 1352 B8R0.1 N#CCCC(=O)C=CBr 1458a_100016273825_100011215226 [0,2,0,0,0,0|1,0,1]=4 1353 B8R0.1 N#CCCC(=O)C=CCl 1458a_200016279998_100011215226 [0,2,0,0,0,0|1,0,1]=4 1354 B8R0.1 N#CCCC(=O)C=CI 1458a_100016256311_100011215226 [0,2,0,0,0,0|1,0,1]=4 1355 B8R0.1 N#CCNC(=O)C=CBr 1626a_100000734998_100016273825 [0,2,0,0,0,0|1,0,1]=4 1356 B8R0.1 N#CCNC(=O)C=CCl 1626a_100000734998_200016279998 [0,2,0,0,0,0|1,0,1]=4 1357 B8R0.1 N#CCNC(=O)C=CI 1626a_100000734998_100016256311 [0,2,0,0,0,0|1,0,1]=4 1358 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [0,2,0,0,0,0|1,0,0]=3 1359 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [0,2,0,0,0,0|1,0,0]=3 1360 B8R0.1 O=C(C=CBr)NCCF 1626a_100000724931_100016273825 [0,2,0,0,0,0|1,0,0]=3 1361 B8R0.1 O=C(C=CBr)NCCF 240690a_100000724931_100016273825 [0,2,0,0,0,0|1,0,0]=3 1362 B8R0.1 O=C(C=CBr)NCCO 240690a_100000210304_100016273825 [0,2,0,0,0,0|1,0,0]=3 1363 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [0,2,0,0,0,0|1,0,0]=3 1364 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [0,2,0,0,0,0|1,0,0]=3 1365 B8R0.1 O=C(C=CCl)NCCF 11a_100000724931_200016279998 [0,2,0,0,0,0|1,0,0]=3 1366 B8R0.1 O=C(C=CCl)NCCF 1626a_100000724931_200016279998 [0,2,0,0,0,0|1,0,0]=3 1367 B8R0.1 O=C(C=CCl)NCCF 240690a_100000724931_200016279998 [0,2,0,0,0,0|1,0,0]=3 1368 B8R0.1 O=C(C=CCl)NCCO 240690a_100000210304_200016279998 [0,2,0,0,0,0|1,0,0]=3 1369 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [0,2,0,0,0,0|1,0,0]=3 1370 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [0,2,0,0,0,0|1,0,0]=3 1371 B8R0.1 O=C(C=CI)NCCF 1626a_100000724931_100016256311 [0,2,0,0,0,0|1,0,0]=3 1372 B8R0.3 C#CCN(C)C(=O)C=C 1626a_100000225692_100000185746 [0,2,0,0,0,0|1,0,1]=4 1373 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,2,0,0,0,0|1,0,0]=3 1374 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,2,0,0,0,0|2,0,0]=4 1375 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,2,0,0,0,0|2,0,0]=4 1376 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,2,0,0,0,0|1,0,0]=3 1377 B8R0.3 C/C=C(\C)/C(=O)NNC 22a_100016993582_100020587367 [0,2,0,0,0,0|2,0,0]=4 1378 B8R0.3 C=C(CO)C(=O)NNC 22a_100016993582_200000705526 [0,2,0,0,0,0|2,0,0]=4 1379 B8R0.3 C=CC(=O)C(C)CC#N 1458a_100000185746_100009813641 [0,2,0,0,0,0|1,0,1]=4 1380 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,2,0,0,0,0|1,0,0]=3 1381 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [0,2,0,0,0,0|1,0,0]=3 1382 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [0,2,0,0,0,0|1,0,0]=3 1383 B8R0.3 C=CC(=O)N(C)CC#N 1626a_100000748184_100000185746 [0,2,0,0,0,0|1,0,1]=4 1384 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [0,2,0,0,0,0|1,0,0]=3 1385 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [0,2,0,0,0,0|1,0,0]=3 1386 B8R0.3 C=CC(=O)N(C)CCO 240690a_100000210263_200121576911 [0,2,0,0,0,0|1,0,0]=3 1387 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,2,0,0,0,0|1,0,0]=3 1388 B8R0.3 C=CC(C)C(=O)CCF 1458a_100011216780_100011217306 [0,2,0,0,0,0|2,0,0]=4 1389 B8R0.3 C=CC(C)C(=O)CCO 1458a_100011216780_100000211926 [0,2,0,0,0,0|2,0,0]=4 1390 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,2,0,0,0,0|1,0,0]=3 1391 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,2,0,0,0,0|1,0,0]=3 1392 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,2,0,0,0,0|1,0,0]=3 1393 B8R0.3 C=CC(C)C(=O)NNC 22a_100016993582_100011216780 [0,2,0,0,0,0|2,0,0]=4 1394 B8R0.3 C=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000210623 [0,2,0,0,0,0|1,0,1]=4 1395 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [0,2,0,0,0,0|2,0,0]=4 1396 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,2,0,0,0,0|1,0,0]=3 1397 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,2,0,0,0,0|1,0,0]=3 1398 B8R0.3 C=CCC(=O)C(C)OC 1458a_100000743197_100000210623 [0,2,0,0,0,0|2,0,0]=4 1399 B8R0.3 C=CCC(=O)C(C)SC 1458a_100000149566_100000210623 [0,2,0,0,0,0|2,0,0]=4 1400 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,2,0,0,0,0|1,0,0]=3 1401 B8R0.3 C=CCC(=O)C(O)CO 1458a_100011215603_100000210623 [0,2,0,0,0,0|2,0,0]=4 1402 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [0,2,0,0,0,0|1,0,0]=3 1403 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [0,2,0,0,0,0|1,0,0]=3 1404 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [0,2,0,0,0,0|1,0,0]=3 1405 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [0,2,0,0,0,0|1,0,0]=3 1406 B8R0.3 C=CCN(C)C(=O)C=C 1626a_100000225617_100000185746 [0,2,0,0,0,0|1,0,1]=4 1407 B8R0.3 C=CCN(C)C(=O)C=C 240690a_100000225617_200121576911 [0,2,0,0,0,0|1,0,1]=4 1408 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 34a_100015455354_100000210202 [0,2,0,0,0,0|1,0,1]=4 1409 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7a_100015455354_100000210202 [0,2,0,0,0,0|1,0,1]=4 1410 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,2,0,0,0,0|1,0,0]=3 1411 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,2,0,0,0,0|1,0,0]=3 1412 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,2,0,0,0,0|1,0,0]=3 1413 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,2,0,0,0,0|1,0,0]=3 1414 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [0,2,0,0,0,0|1,0,0]=3 1415 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [0,2,0,0,0,0|1,0,0]=3 1416 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [0,2,0,0,0,0|1,0,0]=3 1417 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,2,0,0,0,0|1,0,1]=4 1418 B8R0.3 CCN(C)C(=O)C=CBr 1626a_100000225621_100016273825 [0,2,0,0,0,0|1,0,0]=3 1419 B8R0.3 CCN(C)C(=O)C=CBr 240690a_100000225621_100016273825 [0,2,0,0,0,0|1,0,0]=3 1420 B8R0.3 CCN(C)C(=O)C=CCl 11a_100000225621_200016279998 [0,2,0,0,0,0|1,0,0]=3 1421 B8R0.3 CCN(C)C(=O)C=CCl 1626a_100000225621_200016279998 [0,2,0,0,0,0|1,0,0]=3 1422 B8R0.3 CCN(C)C(=O)C=CCl 240690a_100000225621_200016279998 [0,2,0,0,0,0|1,0,0]=3 1423 B8R0.3 CCN(C)C(=O)C=CI 1626a_100000225621_100016256311 [0,2,0,0,0,0|1,0,0]=3 1424 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,2,0,0,0,0|1,0,1]=4 1425 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,2,0,0,0,0|1,0,1]=4 1426 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,2,0,0,0,0|1,0,1]=4 1427 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,2,0,0,0,0|1,0,1]=4 1428 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,2,0,0,0,0|1,0,1]=4 1429 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,2,0,0,0,0|1,0,1]=4 1430 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,2,0,0,0,0|1,0,1]=4 1431 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 1432 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 1433 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 1434 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,2,0,0,0,0|0,0,1]=3 1435 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,2,0,0,0,0|0,0,1]=3 1436 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,2,0,0,0,0|0,0,1]=3 1437 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,2,0,0,0,0|0,0,2]=4 1438 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,2,0,0,0,0|0,0,2]=4 1439 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,2,0,0,0,0|0,0,2]=4 1440 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,2,0,0,0,0|0,0,2]=4 1441 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,2,0,0,0,0|0,0,2]=4 1442 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,2,0,0,0,0|0,0,2]=4 1443 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,2,0,0,0,0|0,0,2]=4 1444 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,2,0,0,0,0|0,0,2]=4 1445 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,2,0,0,0,0|0,0,2]=4 1446 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,2,0,0,0,0|0,0,2]=4 1447 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,2,0,0,0,0|0,0,2]=4 1448 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,2,0,0,0,0|0,0,2]=4 1449 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,2,0,0,0,0|0,0,2]=4 1450 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,2,0,0,0,0|0,0,2]=4 1451 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,2,0,0,0,0|0,0,2]=4 1452 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,2,0,0,0,0|0,0,2]=4 1453 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,2,0,0,0,0|0,0,2]=4 1454 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,2,0,0,0,0|0,0,2]=4 1455 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,2,0,0,0,0|0,0,2]=4 1456 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,2,0,0,0,0|1,0,1]=4 1457 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,2,0,0,0,0|1,0,1]=4 1458 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,2,0,0,0,0|1,0,1]=4 1459 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,2,0,0,0,0|1,0,1]=4 1460 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,2,0,0,0,0|1,0,1]=4 1461 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,2,0,0,0,0|1,0,1]=4 1462 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,2,0,0,0,0|2,0,0]=4 1463 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,2,0,0,0,0|1,0,1]=4 1464 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,2,0,0,0,0|1,0,1]=4 1465 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,2,0,0,0,0|1,0,1]=4 1466 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,2,0,0,0,0|0,0,2]=4 1467 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [0,2,0,0,0,0|1,0,0]=3 1468 B8R0.6 C#CCCNC(=O)C=C 1626a_100000755551_100000185746 [0,2,0,0,0,0|1,0,0]=3 1469 B8R0.6 C#CCCNC(=O)C=C 240690a_100000755551_200121576911 [0,2,0,0,0,0|1,0,0]=3 1470 B8R0.6 C#CCCOC(C)C=C 34a_100000695699_100000688953 [0,2,0,0,0,0|1,0,1]=4 1471 B8R0.6 C=CC(=NNCCC)C 4a_100000740057_200015361842 [0,2,0,0,0,0|2,0,0]=4 1472 B8R0.6 C=CC(=NNCCO)C 4a_100000210001_200015361842 [0,2,0,0,0,0|2,0,0]=4 1473 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,2,0,0,0,0|1,0,0]=3 1474 B8R0.6 C=CC(=O)CC#CCC 1458a_100000185746_100009813939 [0,2,0,0,0,0|1,0,0]=3 1475 B8R0.6 C=CC(=O)CC#CCO 1458a_100000185746_200000047223 [0,2,0,0,0,0|1,0,1]=4 1476 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [0,2,0,0,0,0|1,0,0]=3 1477 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,2,0,0,0,0|1,0,0]=3 1478 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,2,0,0,0,0|1,0,0]=3 1479 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,2,0,0,0,0|1,0,0]=3 1480 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,2,0,0,0,0|1,0,0]=3 1481 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,2,0,0,0,0|0,0,0]=2 1482 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,2,0,0,0,0|0,1,0]=3 1483 B8R0.6 C=CC(=O)NCC#CC 1626a_100000685387_100000185746 [0,2,0,0,0,0|1,0,0]=3 1484 B8R0.6 C=CC(=O)NCCC#N 1626a_100000720768_100000185746 [0,2,0,0,0,0|1,0,0]=3 1485 B8R0.6 C=CC(=O)NCCC#N 240690a_100000720768_200121576911 [0,2,0,0,0,0|1,0,0]=3 1486 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,2,0,0,0,0|1,0,0]=3 1487 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,2,0,0,0,0|1,0,0]=3 1488 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [0,2,0,0,0,0|1,0,0]=3 1489 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [0,2,0,0,0,0|1,0,0]=3 1490 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,2,0,0,0,0|1,0,0]=3 1491 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [0,2,0,0,0,0|1,0,0]=3 1492 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [0,2,0,0,0,0|1,0,0]=3 1493 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [0,2,0,0,0,0|1,0,0]=3 1494 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [0,2,0,0,0,0|1,0,0]=3 1495 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [0,2,0,0,0,0|1,0,0]=3 1496 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [0,2,0,0,0,0|1,0,0]=3 1497 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [0,2,0,0,0,0|1,0,0]=3 1498 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [0,2,0,0,0,0|1,0,0]=3 1499 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [0,2,0,0,0,0|1,0,0]=3 1500 B8R0.6 C=CC(=O)NNCCO 22a_100000210001_100000185746 [0,2,0,0,0,0|1,0,0]=3 1501 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,2,0,0,0,0|0,0,0]=2 1502 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,2,0,0,0,0|0,0,0]=2 1503 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,2,0,0,0,0|0,0,0]=2 1504 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,2,0,0,0,0|0,0,0]=2 1505 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,2,0,0,0,0|0,0,0]=2 1506 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,2,0,0,0,0|0,0,0]=2 1507 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,2,0,0,0,0|0,0,0]=2 1508 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,2,0,0,0,0|0,0,0]=2 1509 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [0,2,0,0,0,0|1,0,1]=4 1510 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [0,2,0,0,0,0|1,0,1]=4 1511 B8R0.6 C=CC(C)COCCF 34a_100011215527_100011217306 [0,2,0,0,0,0|1,0,1]=4 1512 B8R0.6 C=CC(C)COCCF 7a_100011215527_100011217306 [0,2,0,0,0,0|1,0,1]=4 1513 B8R0.6 C=CC(C)COCCO 34a_100011215527_100000211926 [0,2,0,0,0,0|1,0,1]=4 1514 B8R0.6 C=CC(C)COCCO 7a_100011215527_100000211926 [0,2,0,0,0,0|1,0,1]=4 1515 B8R0.6 C=CC(C)COCSC 34a_100011215527_100011218213 [0,2,0,0,0,0|1,0,1]=4 1516 B8R0.6 C=CC(C)OC/C=C/C 34a_100000695699_100102629194 [0,2,0,0,0,0|1,0,1]=4 1517 B8R0.6 C=CC(C)OCC#CC 34a_100000695699_100000748600 [0,2,0,0,0,0|1,0,1]=4 1518 B8R0.6 C=CC(C)OCC=CC 34a_100000695699_100000070051 [0,2,0,0,0,0|1,0,1]=4 1519 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [0,2,0,0,0,0|1,0,1]=4 1520 B8R0.6 C=CC(C)OCCCF 34a_100000695699_100011934791 [0,2,0,0,0,0|1,0,1]=4 1521 B8R0.6 C=CC(C)OCCCO 34a_100000695699_100000230001 [0,2,0,0,0,0|1,0,1]=4 1522 B8R0.6 C=CC(C)OCCOC 34a_100000695699_100011201679 [0,2,0,0,0,0|1,0,1]=4 1523 B8R0.6 C=CC(C)OCCSC 34a_100000695699_100000212216 [0,2,0,0,0,0|1,0,1]=4 1524 B8R0.6 C=CC(C)SCOCC 62a_100011215867_100000739092 [0,2,0,0,0,0|1,0,1]=4 1525 B8R0.6 C=CC(O)COCCBr 34a_100000211926_100000730141 [0,2,0,0,0,0|0,0,2]=4 1526 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [0,2,0,0,0,0|0,0,2]=4 1527 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [0,2,0,0,0,0|0,0,2]=4 1528 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,2,0,0,0,0|1,0,0]=3 1529 B8R0.6 C=CCCNC(=O)C=C 1626a_100015191253_100000185746 [0,2,0,0,0,0|1,0,0]=3 1530 B8R0.6 C=CCCNC(=O)C=C 240690a_100015191253_200121576911 [0,2,0,0,0,0|1,0,0]=3 1531 B8R0.6 C=CCCOC(C)C=C 34a_100000695699_100000754431 [0,2,0,0,0,0|1,0,1]=4 1532 B8R0.6 C=CCNNC(=O)C=C 22a_100020588587_100000185746 [0,2,0,0,0,0|1,0,1]=4 1533 B8R0.6 C=COCCC(=O)C=C 1458a_100000185746_100000039644 [0,2,0,0,0,0|0,0,2]=4 1534 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [0,2,0,0,0,0|1,0,1]=4 1535 B8R0.6 C=C[C@H](N)COCCF 34a_100016989147_100011217306 [0,2,0,0,0,0|1,0,1]=4 1536 B8R0.6 C=C[C@H](N)COCCO 34a_100016989147_100000211926 [0,2,0,0,0,0|1,0,1]=4 1537 B8R0.6 C=C[C@H](N)COCSC 34a_100016989147_100011218213 [0,2,0,0,0,0|1,0,1]=4 1538 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,2,0,0,0,0|0,0,2]=4 1539 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,2,0,0,0,0|0,0,2]=4 1540 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,2,0,0,0,0|0,0,2]=4 1541 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,2,0,0,0,0|0,0,2]=4 1542 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,2,0,0,0,0|0,0,2]=4 1543 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,2,0,0,0,0|0,0,2]=4 1544 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,2,0,0,0,0|0,0,2]=4 1545 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,2,0,0,0,0|0,0,2]=4 1546 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,2,0,0,0,0|1,0,1]=4 1547 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,2,0,0,0,0|1,0,1]=4 1548 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,2,0,0,0,0|1,0,1]=4 1549 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,2,0,0,0,0|1,0,1]=4 1550 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,2,0,0,0,0|1,0,1]=4 1551 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,2,0,0,0,0|1,0,1]=4 1552 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,2,0,0,0,0|1,0,1]=4 1553 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,2,0,0,0,0|1,0,1]=4 1554 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,2,0,0,0,0|0,0,2]=4 1555 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [0,2,0,0,0,0|1,0,1]=4 1556 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,2,0,0,0,0|1,0,1]=4 1557 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,2,0,0,0,0|1,0,1]=4 1558 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,2,0,0,0,0|1,0,1]=4 1559 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,2,0,0,0,0|0,0,2]=4 1560 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,2,0,0,0,0|0,0,2]=4 1561 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,2,0,0,0,0|1,0,1]=4 1562 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,2,0,0,0,0|1,0,1]=4 1563 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,2,0,0,0,0|1,0,1]=4 1564 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,2,0,0,0,0|1,0,1]=4 1565 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,2,0,0,0,0|1,0,1]=4 1566 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,2,0,0,0,0|1,0,1]=4 1567 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,2,0,0,0,0|1,0,1]=4 1568 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,2,0,0,0,0|1,0,1]=4 1569 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,2,0,0,0,0|1,0,1]=4 1570 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,2,0,0,0,0|1,0,1]=4 1571 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,2,0,0,0,0|1,0,1]=4 1572 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,2,0,0,0,0|1,0,1]=4 1573 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,2,0,0,0,0|1,0,1]=4 1574 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,2,0,0,0,0|1,0,1]=4 1575 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,2,0,0,0,0|1,0,1]=4 1576 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,2,0,0,0,0|1,0,1]=4 1577 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,2,0,0,0,0|1,0,1]=4 1578 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,2,0,0,0,0|1,0,1]=4 1579 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,2,0,0,0,0|1,0,1]=4 1580 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,2,0,0,0,0|1,0,1]=4 1581 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,2,0,0,0,0|1,0,1]=4 1582 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,2,0,0,0,0|1,0,1]=4 1583 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,2,0,0,0,0|1,0,1]=4 1584 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,2,0,0,0,0|1,0,1]=4 1585 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,2,0,0,0,0|1,0,1]=4 1586 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,2,0,0,0,0|1,0,1]=4 1587 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,2,0,0,0,0|1,0,1]=4 1588 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,2,0,0,0,0|1,0,1]=4 1589 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,2,0,0,0,0|1,0,1]=4 1590 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,2,0,0,0,0|1,0,1]=4 1591 B8R0.8 C#CCCC(=O)C(=C)C 1458a_100000185857_100000753159 [0,2,0,0,0,0|1,0,1]=4 1592 B8R0.8 C#CCNC(=O)C(=C)Br 11a_100000212058_100009813364 [0,2,0,0,0,0|1,0,1]=4 1593 B8R0.8 C#CCNC(=O)C(=C)Br 1626a_100000212058_100009813364 [0,2,0,0,0,0|1,0,1]=4 1594 B8R0.8 C#CCNC(=O)C(=C)C 11a_100000212058_100000185857 [0,2,0,0,0,0|1,0,1]=4 1595 B8R0.8 C#CCNC(=O)C(=C)C 1626a_100000212058_100000185857 [0,2,0,0,0,0|1,0,1]=4 1596 B8R0.8 C#CCNC(=O)C(=C)Cl 11a_100000212058_100000039160 [0,2,0,0,0,0|1,0,1]=4 1597 B8R0.8 C#CCNC(=O)C(=C)Cl 1626a_100000212058_100000039160 [0,2,0,0,0,0|1,0,1]=4 1598 B8R0.8 C#CCNC(=O)C(=C)F 11a_100000212058_100000036797 [0,2,0,0,0,0|1,0,1]=4 1599 B8R0.8 C#CCNC(=O)C(=C)F 1626a_100000212058_100000036797 [0,2,0,0,0,0|1,0,1]=4 1600 B8R0.8 C=C(Br)C(=O)NCC#N 1626a_100000734998_100009813364 [0,2,0,0,0,0|1,0,1]=4 1601 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,2,0,0,0,0|1,0,0]=3 1602 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,2,0,0,0,0|1,0,0]=3 1603 B8R0.8 C=C(Br)C(=O)NCCF 11a_100000724931_100009813364 [0,2,0,0,0,0|1,0,0]=3 1604 B8R0.8 C=C(Br)C(=O)NCCF 1626a_100000724931_100009813364 [0,2,0,0,0,0|1,0,0]=3 1605 B8R0.8 C=C(C)C(=NNCC)C 4a_100000756455_100011216138 [0,2,0,0,0,0|2,0,0]=4 1606 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [0,2,0,0,0,0|1,0,1]=4 1607 B8R0.8 C=C(C)C(=O)CC#CC 1458a_100000185857_100000748600 [0,2,0,0,0,0|1,0,1]=4 1608 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [0,2,0,0,0,0|1,0,1]=4 1609 B8R0.8 C=C(C)C(=O)CCC#N 1458a_100000185857_100011215226 [0,2,0,0,0,0|1,0,1]=4 1610 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,2,0,0,0,0|1,0,0]=3 1611 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,2,0,0,0,0|1,0,0]=3 1612 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,2,0,0,0,0|1,0,0]=3 1613 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,2,0,0,0,0|1,0,0]=3 1614 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,2,0,0,0,0|1,0,0]=3 1615 B8R0.8 C=C(C)C(=O)NCC#N 1626a_100000734998_100000185857 [0,2,0,0,0,0|1,0,1]=4 1616 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,2,0,0,0,0|1,0,0]=3 1617 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,2,0,0,0,0|1,0,0]=3 1618 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [0,2,0,0,0,0|1,0,0]=3 1619 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [0,2,0,0,0,0|1,0,0]=3 1620 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [0,2,0,0,0,0|1,0,0]=3 1621 B8R0.8 C=C(Cl)C(=O)NCC#N 1626a_100000734998_100000039160 [0,2,0,0,0,0|1,0,1]=4 1622 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,2,0,0,0,0|1,0,0]=3 1623 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,2,0,0,0,0|1,0,0]=3 1624 B8R0.8 C=C(Cl)C(=O)NCCF 11a_100000724931_100000039160 [0,2,0,0,0,0|1,0,0]=3 1625 B8R0.8 C=C(Cl)C(=O)NCCF 1626a_100000724931_100000039160 [0,2,0,0,0,0|1,0,0]=3 1626 B8R0.8 C=C(Cl)C(=O)NNCC 22a_100000756455_100000039160 [0,2,0,0,0,0|1,0,0]=3 1627 B8R0.8 C=C(F)C(=O)NCC#N 1626a_100000734998_100000036797 [0,2,0,0,0,0|1,0,1]=4 1628 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,2,0,0,0,0|1,0,0]=3 1629 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,2,0,0,0,0|1,0,0]=3 1630 B8R0.8 C=C(F)C(=O)NCCF 11a_100000724931_100000036797 [0,2,0,0,0,0|1,0,0]=3 1631 B8R0.8 C=C(F)C(=O)NCCF 1626a_100000724931_100000036797 [0,2,0,0,0,0|1,0,0]=3 1632 B8R0.8 C=C(F)C(=O)NNCC 22a_100000756455_100000036797 [0,2,0,0,0,0|1,0,0]=3 1633 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [0,2,0,0,0,0|1,0,1]=4 1634 B8R0.8 C=CCNC(=O)C(=C)Br 1626a_100020586998_100009813364 [0,2,0,0,0,0|1,0,1]=4 1635 B8R0.8 C=CCNC(=O)C(=C)C 1626a_100020586998_100000185857 [0,2,0,0,0,0|1,0,1]=4 1636 B8R0.8 C=CCNC(=O)C(=C)Cl 1626a_100020586998_100000039160 [0,2,0,0,0,0|1,0,1]=4 1637 B8R0.8 C=CCNC(=O)C(=C)F 1626a_100020586998_100000036797 [0,2,0,0,0,0|1,0,1]=4 1638 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,2,0,0,0,0|0,0,2]=4 1639 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,2,0,0,0,0|0,0,2]=4 1640 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,2,0,0,0,0|1,0,1]=4 1641 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,2,0,0,0,0|2,0,0]=4 1642 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,2,0,0,0,0|1,0,1]=4 1643 B8R0.8 CCNNC(=O)C(=O)N 22a_100000756455_100011215815 [0,2,0,0,0,0|2,0,0]=4 1644 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,2,0,0,0,0|0,0,1]=3 1645 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,2,0,0,0,0|0,0,2]=4 1646 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,2,0,0,0,0|0,0,2]=4 1647 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,2,0,0,0,0|1,0,1]=4 1648 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,2,0,0,0,0|1,0,1]=4 1649 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,2,0,0,0,0|1,0,1]=4 1650 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,2,0,0,0,0|1,0,1]=4 1651 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,2,0,0,0,0|1,0,1]=4 1652 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,2,0,0,0,0|0,1,1]=4 1653 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,2,0,0,0,0|0,1,1]=4 1654 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,2,0,0,0,0|0,0,2]=4 1655 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,2,0,0,0,0|0,0,2]=4 1656 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [0,2,0,0,0,0|2,0,0]=4 1657 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,2,0,0,0,0|2,0,0]=4 1658 B8R0.9 C=CC(=NNC(C)C)C 4a_100000741168_200015361842 [0,2,0,0,0,0|2,0,0]=4 1659 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [0,2,0,0,0,0|1,0,1]=4 1660 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,2,0,0,0,0|1,0,0]=3 1661 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,2,0,0,0,0|1,0,0]=3 1662 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,2,0,0,0,0|1,0,0]=3 1663 B8R0.9 C=CC(=O)NCC(=C)C 1626a_100000765925_100000185746 [0,2,0,0,0,0|1,0,0]=3 1664 B8R0.9 C=CC(=O)NCC(=C)C 240690a_100000765925_200121576911 [0,2,0,0,0,0|1,0,0]=3 1665 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [0,2,0,0,0,0|1,0,0]=3 1666 B8R0.9 C=CC(=O)NCC(=O)N 240690a_100000711301_200121576911 [0,2,0,0,0,0|1,0,1]=4 1667 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [0,2,0,0,0,0|1,0,0]=3 1668 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,2,0,0,0,0|1,0,0]=3 1669 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,2,0,0,0,0|1,0,0]=3 1670 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [0,2,0,0,0,0|1,0,0]=3 1671 B8R0.9 C=CC(=O)NCC(F)F 1626a_100000765723_100000185746 [0,2,0,0,0,0|1,0,0]=3 1672 B8R0.9 C=CC(=O)NCC(F)F 240690a_100000765723_200121576911 [0,2,0,0,0,0|1,0,0]=3 1673 B8R0.9 C=CC(=O)NNC(=O)C 22a_100000189765_100000185746 [0,2,0,0,0,0|1,0,1]=4 1674 B8R0.9 C=CC(=O)NNC(C)C 22a_100000741168_100000185746 [0,2,0,0,0,0|1,0,0]=3 1675 B8R0.9 C=CC(C)COC(C)C 34a_100011215527_100000210206 [0,2,0,0,0,0|1,0,1]=4 1676 B8R0.9 C=CC(C)COC(C)C 7a_100011215527_100000210206 [0,2,0,0,0,0|1,0,1]=4 1677 B8R0.9 C=CC(C)OCC(=C)C 34a_100000695699_100000748629 [0,2,0,0,0,0|1,0,1]=4 1678 B8R0.9 C=CC(C)OCC(C)C 34a_100000695699_100000210624 [0,2,0,0,0,0|1,0,1]=4 1679 B8R0.9 C=CC(C)OCC(C)O 34a_100000695699_100011218427 [0,2,0,0,0,0|1,0,1]=4 1680 B8R0.9 C=CC(C)OCC(F)F 34a_100000695699_100011934356 [0,2,0,0,0,0|1,0,1]=4 1681 B8R0.9 C=CC(C)OC[C@@H](C)O 34a_100000695699_100009817552 [0,2,0,0,0,0|1,0,1]=4 1682 B8R0.9 C=CC(O)COC(C)C 34a_100000212225_100000730141 [0,2,0,0,0,0|0,0,2]=4 1683 B8R0.9 C=C[C@H](N)COC(C)C 34a_100016989147_100000210206 [0,2,0,0,0,0|1,0,1]=4 1684 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,2,0,0,0,0|1,0,1]=4 1685 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,2,0,0,0,0|0,0,2]=4 1686 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,2,0,0,0,0|0,0,2]=4 1687 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,2,0,0,0,0|1,0,1]=4 1688 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,2,0,0,0,0|1,0,1]=4 1689 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,2,0,0,0,0|1,0,1]=4 1690 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,2,0,0,0,0|1,0,1]=4 1691 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,2,0,0,0,0|1,0,1]=4 1692 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,2,0,0,0,0|1,0,1]=4 1693 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,2,0,0,0,0|1,0,1]=4 1694 B8R0.11 C=CC(=NNCC)CC 4a_100000756455_100000747743 [0,2,0,0,0,0|2,0,0]=4 1695 B8R0.11 C=CC(C=C)OCCC 34a_100000033096_100000210303 [0,2,0,0,0,0|1,0,1]=4 1696 B8R0.11 C=CC(C=C)OCCF 34a_100000033096_100011217306 [0,2,0,0,0,0|1,0,1]=4 1697 B8R0.11 C=CC(C=C)OCCO 34a_100000033096_100000211926 [0,2,0,0,0,0|1,0,1]=4 1698 B8R0.11 C=CC(C=C)OCSC 34a_100000033096_100011218213 [0,2,0,0,0,0|1,0,1]=4 1699 B8R0.11 C=CC(CC)OCCC 34a_100000766422_100000210303 [0,2,0,0,0,0|1,0,1]=4 1700 B8R0.11 C=CC(CC)OCCC 7a_100000766422_100000210303 [0,2,0,0,0,0|1,0,1]=4 1701 B8R0.11 C=CC(CC)OCCF 34a_100000766422_100011217306 [0,2,0,0,0,0|1,0,1]=4 1702 B8R0.11 C=CC(CC)OCCF 7a_100000766422_100011217306 [0,2,0,0,0,0|1,0,1]=4 1703 B8R0.11 C=CC(CC)OCCO 34a_100000766422_100000211926 [0,2,0,0,0,0|1,0,1]=4 1704 B8R0.11 C=CC(CC)OCCO 7a_100000766422_100000211926 [0,2,0,0,0,0|1,0,1]=4 1705 B8R0.11 C=CC(CC)OCSC 34a_100000766422_100011218213 [0,2,0,0,0,0|1,0,1]=4 1706 B8R0.11 CCCOC(C=O)C=O 34a_100000210258_100000736813 [0,2,0,0,0,0|1,0,1]=4 1707 B8R0.11 NCCOC(C=O)C=O 34a_100000210304_100000736813 [0,2,0,0,0,0|1,0,1]=4 1708 B8R0.11 O=CC(C=O)OCCBr 34a_100000211926_100000736813 [0,2,0,0,0,0|1,0,1]=4 1709 B8R0.25 C=CC(C)(C)OCCC 34a_100011215311_100000210303 [0,2,0,0,0,0|1,0,1]=4 1710 B8R0.25 C=CC(C)(C)OCCC 7a_100011215311_100000210303 [0,2,0,0,0,0|1,0,1]=4 1711 B8R0.25 C=CC(C)(C)OCCF 34a_100011215311_100011217306 [0,2,0,0,0,0|1,0,1]=4 1712 B8R0.25 C=CC(C)(C)OCCF 7a_100011215311_100011217306 [0,2,0,0,0,0|1,0,1]=4 1713 B8R0.25 C=CC(C)(C)OCCO 34a_100011215311_100000211926 [0,2,0,0,0,0|1,0,1]=4 1714 B8R0.25 C=CC(C)(C)OCCO 7a_100011215311_100000211926 [0,2,0,0,0,0|1,0,1]=4 1715 B8R0.25 C=CC(C)(C)OCSC 34a_100011215311_100011218213 [0,2,0,0,0,0|1,0,1]=4 1716 B8R0.15 C=CC(OCC)C(C)C 34a_100000732651_100000210202 [0,2,0,0,0,0|1,0,1]=4 1717 B8R0.15 C=CC(OCC)C(C)C 7a_100000732651_100000210202 [0,2,0,0,0,0|1,0,1]=4 1718 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,2,0,0,0,0|1,0,1]=4 1719 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [0,2,0,0,0,0|1,0,1]=4 1720 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [0,2,0,0,0,0|1,0,1]=4 1721 B8R0.22 C=CCC(C=C)OCC 34a_100000038011_100000210202 [0,2,0,0,0,0|1,0,1]=4 1722 B8R0.22 C=CCC(C=C)OCC 7a_100000038011_100000210202 [0,2,0,0,0,0|1,0,1]=4 1723 B8R0.30 C=CCC(C)(C)OCC 7a_100011995686_100000210202 [0,2,0,0,0,0|1,0,1]=4 1724 B8R0.30 C=CCS(=O)(=O)NCC 270084a_100015525214_100000751117 [0,2,0,0,0,0|2,0,0]=4 1725 B8R0.30 C=CCS(=O)(=O)NCC 274078a_100015525214_100000751117 [0,2,0,0,0,0|2,0,0]=4 1726 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [0,2,0,0,0,0|1,0,0]=3 1727 B8R0.20 C=CC(=O)N(CC)CC 1626a_100000724800_100000185746 [0,2,0,0,0,0|1,0,0]=3 1728 B8R0.20 C=CC(=O)N(CC)CC 240690a_100000724800_200121576911 [0,2,0,0,0,0|1,0,0]=3 1729 B8R0.31 C#CC(C)(C=C)OCC 34a_100000033310_100000210202 [0,2,0,0,0,0|1,0,1]=4 1730 B8R0.31 C#CC(C)(C=C)OCC 7a_100000033310_100000210202 [0,2,0,0,0,0|1,0,1]=4 1731 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|1,0,1]=4 1732 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|1,0,1]=4 1733 B8R1.1 C=Cc1nnc(o1)C 271570a_100011290941_100000708914 [0,1,0,1,0,0|1,0,1]=4 1734 B8R1.1 C=Cc1noc(n1)C 271570a_100011290941_100012003639 [0,1,0,1,0,0|1,0,1]=4 1735 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,1,0,1,0,0|0,1,1]=4 1736 B8R1.1 CCn1ccc(n1)O 271570a_203496583355_100012350556 [0,1,0,1,0,0|1,0,1]=4 1737 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,1,0,0|1,0,1]=4 1738 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,1,0,0|1,0,1]=4 1739 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,1,0,0|1,0,1]=4 1740 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [0,1,0,1,0,0|0,0,2]=4 1741 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [0,1,0,1,0,0|1,0,1]=4 1742 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [0,1,0,1,0,0|0,0,2]=4 1743 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,1,0,0|1,0,1]=4 1744 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,1,0,1,0,0|0,0,2]=4 1745 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,1,0,1,0,0|0,0,2]=4 1746 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [0,1,0,1,0,0|1,0,0]=3 1747 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [0,1,0,1,0,0|1,0,0]=3 1748 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [0,1,0,1,0,0|1,0,0]=3 1749 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [0,1,0,1,0,0|1,0,0]=3 1750 B8R1.40 C=CC(=O)NC1CC1 1626a_100000212008_100000185746 [0,1,0,1,0,0|1,0,0]=3 1751 B8R1.40 C=CC(=O)NC1CC1 240690a_100000212008_200121576911 [0,1,0,1,0,0|1,0,0]=3 1752 B8R1.40 C=CC(C)OC1CC1 34a_100000695699_100000211595 [0,1,0,1,0,0|1,0,1]=4 1753 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|0,0,2]=4 1754 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,1,0,1,0,0|1,0,0]=3 1755 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [0,1,0,1,0,0|1,0,0]=3 1756 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [0,1,0,1,0,0|1,0,0]=3 1757 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,1,0,0|0,0,2]=4 1758 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,1,0,1,0,0|1,0,1]=4 1759 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,1,0,1,0,0|1,0,1]=4 1760 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,1,0,1,0,0|1,0,1]=4 1761 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,1,0,1,0,0|1,0,1]=4 1762 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,1,0,1,0,0|1,0,1]=4 1763 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [0,1,0,1,0,0|1,0,0]=3 1764 B8R1.37 C=CCC(=O)C1CO1 1458a_100000701028_100000210623 [0,1,0,1,0,0|2,0,0]=4 1765 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,1,0,1,0,0|0,1,0]=3 1766 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,1,0,1,0,0|0,1,0]=3 1767 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [0,1,0,1,0,0|1,1,0]=4 1768 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [0,1,0,1,0,0|1,1,0]=4 1769 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [0,1,0,1,0,0|1,1,0]=4 1770 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [0,1,0,1,0,0|1,1,0]=4 1771 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [0,1,0,1,0,0|0,1,1]=4 1772 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [0,1,0,1,0,0|0,1,1]=4 1773 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [0,1,0,1,0,0|0,2,0]=4 1774 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [0,1,0,1,0,0|0,2,0]=4 1775 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [0,1,0,1,0,0|0,1,1]=4 1776 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [0,1,0,1,0,0|0,1,1]=4 1777 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [0,1,0,1,0,0|0,1,1]=4 1778 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [0,1,0,1,0,0|0,1,1]=4 1779 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [0,1,0,1,0,0|0,2,0]=4 1780 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [0,1,0,1,0,0|0,2,0]=4 1781 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [0,1,0,1,0,0|0,2,0]=4 1782 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [0,1,0,1,0,0|0,2,0]=4 1783 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [0,1,0,1,0,0|0,1,1]=4 1784 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [0,1,0,1,0,0|0,1,1]=4 1785 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [0,1,0,1,0,0|0,2,0]=4 1786 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [0,1,0,1,0,0|0,2,0]=4 1787 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [0,1,0,1,0,0|1,1,0]=4 1788 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [0,1,0,1,0,0|1,1,0]=4 1789 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [0,1,0,1,0,0|1,1,0]=4 1790 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [0,1,0,1,0,0|1,1,0]=4 1791 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [0,1,0,1,0,0|0,1,1]=4 1792 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [0,1,0,1,0,0|0,1,1]=4 1793 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [0,1,0,1,0,0|0,2,0]=4 1794 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [0,1,0,1,0,0|0,2,0]=4 1795 B8R1.8 FCOc1ccsc1 34a_100000106738_100015361967 [0,1,0,1,0,0|1,1,0]=4 1796 B8R1.8 FCOc1ccsc1 7a_100000106738_100015361967 [0,1,0,1,0,0|1,1,0]=4 1797 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,1,0,1,0,0|1,0,1]=4 1798 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [0,1,0,1,0,0|1,0,1]=4 1799 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [0,1,0,1,0,0|1,0,1]=4 1800 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [0,1,0,1,0,0|1,0,1]=4 1801 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|0,0,2]=4 1802 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|0,0,2]=4 1803 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|0,0,2]=4 1804 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,1,0,0|0,0,2]=4 1805 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,1,0,0|0,0,2]=4 1806 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,1,0,0|0,0,2]=4 1807 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,1,0,0|0,0,2]=4 1808 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,1,0,0|0,0,2]=4