0 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,0,0,0,0,0|1,0,1]=2 15 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,0,0,0,0,0|3,0,0]=3 46 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,0,0,0,0,0|2,0,0]=2 50 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,0,0,0,0|2,0,0]=2 51 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,0,0,0,0|2,0,0]=2 52 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,0,0,0,0,0|3,0,0]=3 53 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,0,0,0,0,0|3,0,0]=3 54 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,0,0,0,0,0|2,0,0]=2 55 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,0,0,0,0,0|2,0,0]=2 56 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,0,0,0,0,0|2,0,0]=2 57 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,0,0,0,0,0|2,0,0]=2 58 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,0,0,0,0,0|3,0,1]=4 59 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,0,0,0,0,0|3,0,1]=4 60 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,0,0,0,0,0|3,0,1]=4 61 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,0,0,0,0,0|3,0,1]=4 63 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,0,0,0,0,0|3,0,1]=4 64 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,0,0,0,0,0|2,0,1]=3 65 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,0,0,0,0,0|2,0,1]=3 66 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,0,0,0,0,0|2,0,1]=3 67 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,0,0,0,0,0|2,0,1]=3 68 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,0,0,0,0,0|2,0,1]=3 69 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,0,0,0,0,0|2,1,1]=4 70 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,0,0,0,0,0|2,1,1]=4 71 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,0,0,0,0,0|2,1,1]=4 72 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,0,0,0,0,0|2,1,1]=4 73 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,0,0,0,0,0|4,0,0]=4 74 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,0,0,0,0,0|4,0,0]=4 75 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,0,0,0,0,0|4,0,0]=4 76 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,0,0,0,0,0|4,0,0]=4 77 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,0,0,0,0,0|4,0,0]=4 78 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,0,0,0,0,0|4,0,0]=4 79 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,0,0,0,0,0|4,0,0]=4 80 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,0,0,0,0,0|4,0,0]=4 81 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,0,0,0,0,0|1,0,0]=1 82 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,0,0,0,0|1,0,0]=1 83 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,0,0,0,0|1,0,0]=1 84 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,0,0,0,0,0|2,0,0]=2 85 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,0,0,0,0,0|2,0,0]=2 86 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,0,0,0,0|1,0,0]=1 87 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,0,0,0,0|1,0,0]=1 88 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,0,0,0,0|1,0,0]=1 89 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,0,0,0,0|1,0,0]=1 90 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,0,0,0,0|1,0,0]=1 91 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,0,0,0,0,0|1,0,0]=1 92 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [0,0,0,0,0,0|3,0,1]=4 93 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [0,0,0,0,0,0|3,0,1]=4 94 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,0,0,0,0,0|2,0,1]=3 95 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,0,0,0,0,0|2,0,1]=3 96 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,0,0,0,0,0|3,0,1]=4 97 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,0,0,0,0,0|3,0,1]=4 98 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,0,0,0,0,0|3,0,1]=4 99 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,0,0,0,0,0|3,0,1]=4 100 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,0,0,0,0,0|3,0,1]=4 101 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,0,0,0,0,0|3,0,1]=4 102 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,0,0,0,0,0|2,0,1]=3 103 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,0,0,0,0,0|2,0,1]=3 104 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,0,0,0,0,0|3,0,1]=4 105 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,0,0,0,0,0|3,0,1]=4 106 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,0,0,0,0,0|3,0,1]=4 107 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,0,0,0,0,0|3,0,1]=4 108 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,0,0,0,0,0|3,0,1]=4 109 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,0,0,0,0,0|3,0,1]=4 110 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,0,0,0,0,0|3,0,1]=4 111 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,0,0,0,0,0|3,0,1]=4 112 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,0,0,0,0,0|3,0,0]=3 113 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,0,0,0,0,0|3,0,0]=3 114 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,0,0,0,0,0|3,0,0]=3 115 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,0,0,0,0,0|3,0,0]=3 116 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,0,0,0,0,0|3,0,0]=3 117 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,0,0,0,0,0|3,0,0]=3 118 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,0,0,0,0,0|3,0,0]=3 119 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,0,0,0,0,0|3,0,0]=3 120 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,0,0,0,0,0|3,0,0]=3 121 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,0,0,0,0,0|3,0,0]=3 122 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,0,0,0,0,0|3,0,0]=3 123 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,0,0,0,0,0|3,0,0]=3 124 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,0,0,0,0,0|3,0,0]=3 125 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,0,0,0,0,0|3,0,0]=3 126 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,0,0,0,0,0|3,0,0]=3 127 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,0,0,0,0,0|3,0,0]=3 128 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,0,0,0,0,0|3,0,0]=3 129 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,0,0,0,0,0|3,0,0]=3 130 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,0,0,0,0,0|3,0,0]=3 131 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,0,0,0,0,0|3,0,0]=3 132 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,0,0,0,0,0|3,0,0]=3 133 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,0,0,0,0,0|2,0,0]=2 134 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,0,0,0,0,0|2,0,0]=2 135 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,0,0,0,0,0|2,0,0]=2 136 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,0,0,0,0,0|3,0,1]=4 137 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,0,0,0,0,0|3,0,0]=3 138 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,0,0,0,0,0|2,0,0]=2 139 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,0,0,0,0,0|2,0,0]=2 140 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,0,0,0,0,0|2,0,0]=2 141 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,0,0,0,0,0|2,0,0]=2 142 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,0,0,0,0,0|2,0,0]=2 143 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,0,0,0,0,0|2,0,0]=2 144 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,0,0,0,0,0|2,0,0]=2 145 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,0,0,0,0,0|3,0,1]=4 146 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,0,0,0,0,0|3,0,1]=4 147 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,0,0,0,0,0|3,0,1]=4 148 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,0,0,0,0,0|3,0,1]=4 149 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,0,0,0,0,0|3,0,1]=4 150 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,0,0,0,0,0|4,0,0]=4 151 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,0,0,0,0,0|2,0,0]=2 152 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,0,0,0,0,0|3,0,1]=4 153 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,0,0,0,0,0|3,0,1]=4 154 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,0,0,0,0,0|3,0,1]=4 155 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,0,0,0,0,0|3,0,1]=4 156 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,0,0,0,0,0|3,0,1]=4 157 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,0,0,0,0,0|4,0,0]=4 158 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,0,0,0,0,0|4,0,0]=4 159 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,0,0,0,0,0|4,0,0]=4 160 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,0,0,0,0,0|4,0,0]=4 161 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,0,0,0,0|1,0,2]=4 162 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,0,0,0,0|1,0,2]=4 163 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,0,0,0,0|1,0,2]=4 164 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|3,0,0]=4 165 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|3,0,0]=4 166 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|3,0,0]=4 167 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|3,0,0]=4 168 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|3,0,0]=4 169 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|3,0,0]=4 170 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|3,0,0]=4 171 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|3,0,0]=4 172 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|3,0,0]=4 173 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|3,0,0]=4 174 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|1,0,2]=4 175 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|1,0,2]=4 176 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|1,0,2]=4 177 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|1,0,1]=3 178 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|1,0,1]=3 179 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,0,0,0,0|2,0,1]=4 184 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|2,0,0]=3 185 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|2,0,0]=3 186 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|2,0,0]=3 187 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|2,0,0]=3 188 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,0,0,0,0,0|2,0,1]=4 189 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|1,0,1]=3 190 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|1,0,1]=3 191 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|1,0,0]=2 192 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|1,0,0]=2 193 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|1,0,0]=2 194 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|3,0,0]=4 195 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|3,0,0]=4 196 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|3,0,0]=4 197 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|3,0,0]=4 198 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|3,0,0]=4 199 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|3,0,0]=4 200 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|0,0,0]=1 201 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|0,0,0]=1 202 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|0,0,0]=1 203 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,0,0,0,0|1,0,1]=3 204 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,0,0,0,0|1,0,1]=3 205 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,0,0,0,0|1,0,1]=3 206 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,0,0,0,0|2,0,1]=4 209 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,0,0,0,0|2,0,1]=4 210 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|3,0,0]=4 211 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|3,0,0]=4 212 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|3,0,0]=4 213 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|3,0,0]=4 214 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|2,0,0]=3 215 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|2,0,1]=4 216 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|1,0,0]=2 217 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|2,0,0]=3 218 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|2,0,0]=3 219 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|3,0,0]=4 220 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|2,0,0]=3 221 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|2,0,1]=4 222 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|2,0,0]=3 223 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|3,0,0]=4 224 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|3,0,0]=4 225 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|2,0,0]=3 226 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|2,0,1]=4 227 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|2,0,1]=4 228 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|2,0,1]=4 229 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|2,0,1]=4 230 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|2,0,1]=4 231 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,0,0,0,0|2,0,1]=4 232 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|2,0,0]=3 233 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|3,0,0]=4 234 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|2,0,0]=3 235 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|3,0,0]=4 236 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|3,0,0]=4 237 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|2,0,1]=4 238 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|2,0,1]=4 239 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [1,0,0,0,0,0|1,0,2]=4 240 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [1,0,0,0,0,0|1,0,2]=4 241 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,0,0,0,0|3,0,0]=4 242 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,0,0,0,0|3,0,0]=4 243 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,0,0,0,0|1,0,2]=4 244 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,0,0,0,0|1,0,2]=4 245 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,0,0,0,0|1,0,2]=4 246 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,0,0,0,0|3,0,0]=4 247 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,0,0,0,0|3,0,0]=4 248 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,0,0,0,0|3,0,0]=4 249 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,0,0,0,0|3,0,0]=4 250 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|1,0,2]=4 251 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|1,0,2]=4 252 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [1,0,0,0,0,0|1,0,2]=4 253 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [1,0,0,0,0,0|1,0,2]=4 254 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [1,0,0,0,0,0|1,0,2]=4 255 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,0,0,0,0|3,0,0]=4 256 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,0,0,0,0|3,0,0]=4 257 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,0,0,0,0|3,0,0]=4 258 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,0,0,0,0|1,0,2]=4 259 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,0,0,0,0|3,0,0]=4 260 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,0,0,0,0|3,0,0]=4 261 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,0,0,0,0|3,0,0]=4 262 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,0,0,0,0|3,0,0]=4 263 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|2,0,0]=3 264 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|2,0,1]=4 265 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|2,0,1]=4 266 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|2,0,1]=4 267 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|2,0,1]=4 268 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|2,0,1]=4 269 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|2,0,1]=4 270 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|2,0,1]=4 271 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|1,0,1]=3 272 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|1,0,1]=3 273 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|1,0,1]=3 274 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|1,0,1]=3 275 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|1,0,1]=3 276 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|1,1,1]=4 277 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|1,1,1]=4 278 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|1,1,1]=4 279 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|1,1,1]=4 280 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,0,0,0,0|1,0,1]=3 281 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,0,0,0,0|2,0,1]=4 282 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,0,0,0,0|2,0,1]=4 283 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,0,0,0,0|2,0,1]=4 284 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,0,0,0,0|2,0,1]=4 285 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [1,0,0,0,0,0|2,0,1]=4 286 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|2,0,1]=4 287 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,0,0,0,0|2,0,1]=4 288 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,0,0,0,0|2,0,1]=4 289 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,0,0,0,0|2,0,1]=4 290 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,0,0,0,0|2,0,1]=4 291 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,0,0,0,0|2,0,1]=4 292 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,0,0,0,0|0,0,1]=2 293 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,0,0,0,0|0,1,1]=3 294 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,0,0,0,0|1,1,1]=4 295 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,0,0,0,0|1,1,1]=4 296 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,0,0,0,0|1,1,1]=4 297 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,0,0,0,0|1,1,1]=4 298 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,0,0,0,0|1,1,1]=4 299 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,0,0,0,0|1,0,1]=3 300 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,0,0,0,0|1,0,1]=3 301 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,0,0,0,0|1,1,1]=4 302 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,0,0,0,0|1,1,1]=4 303 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,0,0,0,0,0|2,0,1]=4 304 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,0,0,0,0,0|2,0,1]=4 305 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,0,0,0,0,0|2,0,1]=4 306 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,0,0,0,0,0|2,0,1]=4 307 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,0,0,0,0|2,0,1]=4 308 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,0,0,0,0|2,0,1]=4 309 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,0,0,0,0|2,0,1]=4 310 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,0,0,0,0|2,0,1]=4 311 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,0,0,0,0|2,0,1]=4 312 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,0,0,0,0|2,0,1]=4 313 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,0,0,0,0,0|2,0,1]=4 314 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,0,0,0,0,0|2,0,1]=4 315 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,0,0,0,0,0|2,0,1]=4 316 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,0,0,0,0,0|2,0,1]=4 317 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,0,0,0,0,0|2,0,1]=4 318 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,0,0,0,0,0|2,0,1]=4 319 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,0,0,0,0,0|2,0,1]=4 320 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,0,0,0,0,0|2,0,1]=4 321 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,0,0,0,0,0|2,0,1]=4 322 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,0,0,0,0,0|2,0,1]=4 323 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,0,0,0,0,0|2,0,1]=4 324 B5R0.2 COCSCF 62a_100000766300_100015361967 [1,0,0,0,0,0|2,0,1]=4 325 B5R0.2 COCSCF 62a_100015361967_100000766300 [1,0,0,0,0,0|2,0,1]=4 326 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,0,0,0,0,0|2,0,1]=4 327 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,0,0,0,0,0|2,0,1]=4 328 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,0,0,0,0|2,0,1]=4 329 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,0,0,0,0|2,0,1]=4 330 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,0,0,0,0|2,0,1]=4 331 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,0,0,0,0|2,0,1]=4 332 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,0,0,0,0|1,0,1]=3 333 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [1,0,0,0,0,0|2,0,1]=4 334 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,0,0,0,0|1,0,1]=3 335 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,0,0,0,0|2,0,1]=4 336 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,0,0,0,0|1,0,1]=3 337 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,0,0,0,0|1,0,1]=3 338 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,0,0,0,0|2,0,1]=4 339 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,0,0,0,0|2,0,1]=4 340 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 341 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,0,0,0,0|1,0,0]=2 342 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,0,0,0,0|2,0,0]=3 343 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|2,0,0]=3 344 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,0,0,0,0|1,0,0]=2 345 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,0,0,0,0|1,0,0]=2 346 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,0,0,0,0|1,0,0]=2 347 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,0,0,0,0|1,0,0]=2 348 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|2,0,1]=4 349 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|2,0,1]=4 350 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|2,0,1]=4 351 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|2,0,1]=4 352 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|2,0,1]=4 353 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|1,0,1]=3 354 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|1,0,1]=3 355 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|1,0,1]=3 356 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|1,1,1]=4 357 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|1,1,1]=4 358 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|1,1,1]=4 359 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|1,1,1]=4 360 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|3,0,0]=4 361 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|3,0,0]=4 362 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|3,0,0]=4 363 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|3,0,0]=4 364 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|3,0,0]=4 365 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|3,0,0]=4 366 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|3,0,0]=4 367 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|3,0,0]=4 368 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,0,0,0,0|2,0,0]=3 369 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,0,0,0,0|2,0,0]=3 370 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,0,0,0,0|1,0,0]=2 371 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,0,0,0,0|1,0,0]=2 372 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,0,0,0,0|1,0,0]=2 373 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,0,0,0,0|2,0,1]=4 374 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,0,0,0,0|2,0,1]=4 375 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 376 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,0,0,0,0|2,0,1]=4 377 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,0,0,0,0|2,0,1]=4 378 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,0,0,0,0|2,0,1]=4 379 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,0,0,0,0|2,0,1]=4 380 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,0,0,0,0|2,0,1]=4 381 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,0,0,0,0,0|3,0,0]=4 382 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,1,0,0,0,0|2,0,1]=4 383 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [0,1,0,0,0,0|2,0,1]=4 384 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,0,0,0,0|2,0,1]=4 385 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,1,0,0,0,0|2,0,1]=4 386 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,1,0,0,0,0|2,0,1]=4 387 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,1,0,0,0,0|1,0,1]=3 388 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,1,0,0,0,0|1,0,1]=3 389 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,1,0,0,0,0|3,0,0]=4 390 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,1,0,0,0,0|3,0,0]=4 391 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,1,0,0,0,0|2,0,1]=4 392 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,1,0,0,0,0|2,0,1]=4 393 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,1,0,0,0,0|2,0,0]=3 394 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,1,0,0,0,0|2,0,0]=3 395 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,1,0,0,0,0|3,0,0]=4 396 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,0,0,0,0|2,0,1]=4 397 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,1,0,0,0,0|2,0,1]=4 398 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,1,0,0,0,0|2,0,1]=4 399 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,0,0,0,0|2,0,1]=4 400 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,0,0,0,0|2,0,0]=3 401 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,0,0,0,0|2,0,0]=3 402 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,1,0,0,0,0|2,0,0]=3 403 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,1,0,0,0,0|3,0,0]=4 404 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,1,0,0,0,0|3,0,0]=4 405 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,1,0,0,0,0|3,0,0]=4 406 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,1,0,0,0,0|2,0,0]=3 407 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,1,0,0,0,0|3,0,0]=4 408 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,0,0,0,0|1,0,0]=2 409 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,0,0,0,0|1,0,0]=2 410 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,0,0,0,0|1,0,0]=2 411 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,0,0,0,0|1,0,0]=2 412 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,1,0,0,0,0|2,0,1]=4 413 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,1,0,0,0,0|2,0,1]=4 414 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,1,0,0,0,0|2,0,1]=4 415 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,1,0,0,0,0|2,0,1]=4 416 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,1,0,0,0,0|2,0,1]=4 418 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,1,0,0,0,0|2,0,1]=4 419 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,1,0,0,0,0|2,0,1]=4 421 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,1,0,0,0,0|2,0,1]=4 422 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,1,0,0,0,0|2,0,1]=4 423 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,1,0,0,0,0|2,0,1]=4 424 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,0,0,0,0|2,0,0]=3 425 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,0,0,0,0|2,0,0]=3 426 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,0,0,0,0|2,0,0]=3 427 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,0,0,0,0|2,0,0]=3 428 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,1,0,0,0,0|3,0,0]=4 429 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,1,0,0,0,0|3,0,0]=4 430 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,1,0,0,0,0|3,0,0]=4 431 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,1,0,0,0,0|3,0,0]=4 432 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,1,0,0,0,0|3,0,0]=4 433 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,1,0,0,0,0|3,0,0]=4 434 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,1,0,0,0,0|3,0,0]=4 435 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,1,0,0,0,0|2,0,0]=3 436 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,1,0,0,0,0|3,0,0]=4 437 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,1,0,0,0,0|3,0,0]=4 438 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,1,0,0,0,0|3,0,0]=4 439 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,1,0,0,0,0|3,0,0]=4 440 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,1,0,0,0,0|1,0,0]=2 441 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,1,0,0,0,0|1,0,0]=2 442 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,1,0,0,0,0|1,0,0]=2 443 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,1,0,0,0,0|1,0,0]=2 444 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,1,0,0,0,0|1,0,0]=2 445 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,1,0,0,0,0|1,0,1]=3 446 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,1,0,0,0,0|1,0,1]=3 447 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,1,0,0,0,0|1,0,1]=3 448 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,1,0,0,0,0|2,0,0]=3 449 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,1,0,0,0,0|2,0,0]=3 450 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,1,0,0,0,0|2,0,0]=3 451 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,1,0,0,0,0|2,0,0]=3 452 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,1,0,0,0,0|2,0,1]=4 453 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,1,0,0,0,0|2,0,1]=4 454 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,1,0,0,0,0|2,0,1]=4 455 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,1,0,0,0,0|2,0,1]=4 456 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,1,0,0,0,0|2,0,1]=4 457 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,1,0,0,0,0|3,0,0]=4 458 B7R0.3 C#CC(=NNCC)C 4a_100000756455_100000690481 [0,1,0,0,0,0|2,0,1]=4 459 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,1,0,0,0,0|2,0,1]=4 460 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,1,0,0,0,0|2,0,1]=4 461 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,1,0,0,0,0|2,0,1]=4 462 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,1,0,0,0,0|2,0,1]=4 463 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,1,0,0,0,0|2,0,1]=4 464 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,1,0,0,0,0|2,0,1]=4 465 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,1,0,0,0,0|2,0,1]=4 466 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,1,0,0,0,0|2,0,1]=4 467 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,1,0,0,0,0|2,0,1]=4 468 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,1,0,0,0,0|2,0,1]=4 469 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,1,0,0,0,0|2,0,1]=4 470 B7R0.3 C#CCNC(=O)C=C 1626a_100000212058_100000185746 [0,1,0,0,0,0|1,0,2]=4 471 B7R0.3 C#CCNC(=O)C=C 240690a_100000212058_200121576911 [0,1,0,0,0,0|1,0,2]=4 472 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,1,0,0,0,0|1,0,1]=3 473 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,1,0,0,0,0|1,0,1]=3 474 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,1,0,0,0,0|1,0,1]=3 475 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,1,0,0,0,0|1,0,1]=3 476 B7R0.3 C#CCNC(=O)CO 240690a_100000212058_100000210174 [0,1,0,0,0,0|2,0,1]=4 477 B7R0.3 C#CCNC(=O)CO 527a_100000212058_100000210174 [0,1,0,0,0,0|2,0,1]=4 478 B7R0.3 C#CCNC(=O)NC 2708a_100000212058_106832991635 [0,1,0,0,0,0|1,0,1]=3 479 B7R0.3 C#CCNC(=O)NC 2708a_100102657272_100000212058 [0,1,0,0,0,0|1,0,1]=3 480 B7R0.3 C#CCNC(=O)NC 273464a_100000212058_100102657272 [0,1,0,0,0,0|1,0,1]=3 481 B7R0.3 C#CCNC(=O)NC 273464a_100102657272_100000212058 [0,1,0,0,0,0|1,0,1]=3 482 B7R0.3 C#CCNC(=O)NC 512a_100000212058_100102657272 [0,1,0,0,0,0|1,0,1]=3 483 B7R0.3 C#CCNC(=O)NC 512a_106832991638_100000212058 [0,1,0,0,0,0|1,0,1]=3 484 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,1,0,0,0,0|2,0,1]=4 485 B7R0.3 C=C(C#N)CNCC 2230a_100015525214_100000694840 [0,1,0,0,0,0|3,0,0]=4 486 B7R0.3 C=CC(=NNCC)C 4a_100000756455_200015361842 [0,1,0,0,0,0|2,0,1]=4 487 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,1,0,0,0,0|2,0,1]=4 488 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,1,0,0,0,0|2,0,1]=4 489 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,1,0,0,0,0|2,0,1]=4 490 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,1,0,0,0,0|2,0,1]=4 491 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,1,0,0,0,0|2,0,1]=4 492 B7R0.3 C=CC(=O)NCC#N 1626a_100000734998_100000185746 [0,1,0,0,0,0|1,0,2]=4 493 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,1,0,0,0,0|1,0,1]=3 494 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,1,0,0,0,0|1,0,1]=3 495 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,1,0,0,0,0|1,0,1]=3 496 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,1,0,0,0,0|1,0,1]=3 497 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,1,0,0,0,0|1,0,1]=3 498 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [0,1,0,0,0,0|1,0,1]=3 499 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,0,0,0,0|2,0,1]=4 500 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,0,0,0,0|2,0,1]=4 501 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,1,0,0,0,0|2,0,1]=4 502 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,1,0,0,0,0|2,0,1]=4 503 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,1,0,0,0,0|2,0,1]=4 504 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,1,0,0,0,0|2,0,1]=4 505 B7R0.3 C=CCNC(=O)C=C 1626a_100020586998_100000185746 [0,1,0,0,0,0|1,0,2]=4 506 B7R0.3 C=CCNC(=O)C=C 240690a_100020586998_200121576911 [0,1,0,0,0,0|1,0,2]=4 507 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,1,0,0,0,0|1,0,1]=3 508 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,1,0,0,0,0|1,0,1]=3 509 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,1,0,0,0,0|1,0,1]=3 510 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,1,0,0,0,0|2,0,1]=4 511 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,1,0,0,0,0|2,0,1]=4 512 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,1,0,0,0,0|1,0,1]=3 513 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,1,0,0,0,0|1,0,1]=3 514 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,1,0,0,0,0|1,0,1]=3 515 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,1,0,0,0,0|1,0,1]=3 516 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,1,0,0,0,0|1,0,1]=3 517 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,1,0,0,0,0|2,0,1]=4 518 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,1,0,0,0,0|2,0,1]=4 519 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,1,0,0,0,0|2,0,1]=4 520 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,1,0,0,0,0|2,0,1]=4 521 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,1,0,0,0,0|2,0,1]=4 522 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,1,0,0,0,0|2,0,1]=4 523 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,1,0,0,0,0|2,0,1]=4 524 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,1,0,0,0,0|2,0,1]=4 525 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,1,0,0,0,0|2,0,1]=4 526 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,1,0,0,0,0|1,0,1]=3 527 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,1,0,0,0,0|2,0,0]=3 528 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,1,0,0,0,0|3,0,0]=4 529 B7R0.3 CCC#CC(C)OC 34a_100000033903_200000210301 [0,1,0,0,0,0|2,0,1]=4 530 B7R0.3 CCC#CC(C)OC 7a_100000033903_200000210301 [0,1,0,0,0,0|2,0,1]=4 531 B7R0.3 CCC#CC(C)O[13CH3] 34a_100000033903_200025704644 [0,1,0,0,0,0|2,0,1]=4 532 B7R0.3 CCC#CC(C)O[13CH3] 7a_100000033903_200025704644 [0,1,0,0,0,0|2,0,1]=4 533 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,1,0,0,0,0|2,0,1]=4 534 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,1,0,0,0,0|2,0,1]=4 535 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,1,0,0,0,0|2,0,1]=4 536 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,1,0,0,0,0|2,0,1]=4 537 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,1,0,0,0,0|2,0,0]=3 538 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,0,0,0,0|2,0,0]=3 539 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,0,0,0,0|2,0,0]=3 540 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,0,0,0,0|2,0,0]=3 541 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,0,0,0,0|2,0,0]=3 542 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,0,0,0,0|2,0,0]=3 543 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,1,0,0,0,0|3,0,0]=4 544 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,1,0,0,0,0|3,0,0]=4 545 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,1,0,0,0,0|3,0,0]=4 546 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,1,0,0,0,0|1,0,1]=3 547 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,1,0,0,0,0|1,0,1]=3 548 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,0,0,0,0|1,0,0]=2 549 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,0,0,0,0|1,0,0]=2 550 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,0,0,0,0|1,0,0]=2 551 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,0,0,0,0|1,0,0]=2 552 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,0,0,0,0|1,0,0]=2 553 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,0,0,0,0|1,0,0]=2 554 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,1,0,0,0,0|2,0,1]=4 555 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,1,0,0,0,0|2,0,1]=4 556 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,1,0,0,0,0|2,0,1]=4 557 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,1,0,0,0,0|2,0,1]=4 558 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,1,0,0,0,0|2,0,1]=4 559 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,1,0,0,0,0|2,0,1]=4 560 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,1,0,0,0,0|2,0,1]=4 561 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,0,0,0,0|2,0,0]=3 562 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,1,0,0,0,0|3,0,0]=4 563 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,1,0,0,0,0|2,0,0]=3 564 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,1,0,0,0,0|2,0,0]=3 565 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,1,0,0,0,0|2,0,0]=3 566 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,0,0,0,0|2,0,0]=3 567 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,0,0,0,0|2,0,0]=3 568 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,1,0,0,0,0|3,0,0]=4 569 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,1,0,0,0,0|3,0,0]=4 570 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,1,0,0,0,0|2,0,0]=3 571 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,1,0,0,0,0|2,0,0]=3 572 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,1,0,0,0,0|2,0,0]=3 573 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,1,0,0,0,0|2,0,0]=3 574 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,1,0,0,0,0|2,0,1]=4 575 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,1,0,0,0,0|2,0,1]=4 576 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,1,0,0,0,0|2,0,1]=4 577 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,1,0,0,0,0|2,0,1]=4 578 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,1,0,0,0,0|2,0,1]=4 579 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,0,0,0,0|1,0,0]=2 580 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,0,0,0,0|1,0,0]=2 581 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,0,0,0,0|1,0,0]=2 582 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,0,0,0,0|1,0,0]=2 583 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,0,0,0,0|2,0,0]=3 584 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,0,0,0,0|2,0,0]=3 585 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,1,0,0,0,0|1,0,0]=2 586 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,1,0,0,0,0|1,0,0]=2 587 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,1,0,0,0,0|1,0,0]=2 588 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,1,0,0,0,0|1,0,0]=2 589 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,1,0,0,0,0|1,0,0]=2 590 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,1,0,0,0,0|1,0,0]=2 591 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,1,0,0,0,0|2,0,1]=4 592 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,1,0,0,0,0|2,0,1]=4 593 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,1,0,0,0,0|2,0,1]=4 594 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,1,0,0,0,0|1,0,0]=2 595 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,1,0,0,0,0|1,0,0]=2 596 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,1,0,0,0,0|0,0,0]=1 597 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,1,0,0,0,0|2,0,1]=4 598 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,1,0,0,0,0|2,0,1]=4 599 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,1,0,0,0,0|2,0,1]=4 600 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,1,0,0,0,0|1,0,2]=4 601 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,1,0,0,0,0|1,0,2]=4 602 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,1,0,0,0,0|2,0,1]=4 603 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,1,0,0,0,0|1,0,1]=3 604 B7R0.3 CCNN=C(C)CF 4a_100000756455_100000039719 [0,1,0,0,0,0|3,0,0]=4 605 B7R0.3 CCNN=C(C)CO 4a_100000756455_100000211253 [0,1,0,0,0,0|3,0,0]=4 606 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,1,0,0,0,0|1,0,0]=2 607 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,1,0,0,0,0|2,0,0]=3 608 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,1,0,0,0,0|1,0,0]=2 609 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,1,0,0,0,0|1,0,0]=2 610 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,1,0,0,0,0|1,0,0]=2 611 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,0,0,0,0|2,0,0]=3 612 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,0,0,0,0|2,0,0]=3 613 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,1,0,0,0,0|3,0,0]=4 614 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,1,0,0,0,0|2,0,0]=3 615 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,1,0,0,0,0|2,0,0]=3 616 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,1,0,0,0,0|2,0,0]=3 617 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,1,0,0,0,0|2,0,0]=3 618 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,1,0,0,0,0|2,0,0]=3 619 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,1,0,0,0,0|2,0,0]=3 620 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,1,0,0,0,0|1,0,0]=2 621 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,1,0,0,0,0|2,0,1]=4 622 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,1,0,0,0,0|2,0,1]=4 623 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,1,0,0,0,0|2,0,1]=4 624 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,1,0,0,0,0|2,0,1]=4 625 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,1,0,0,0,0|2,0,1]=4 626 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,1,0,0,0,0|2,0,0]=3 627 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,1,0,0,0,0|2,0,0]=3 628 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,1,0,0,0,0|2,0,0]=3 629 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,1,0,0,0,0|3,0,0]=4 630 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,1,0,0,0,0|2,0,0]=3 631 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,1,0,0,0,0|2,0,0]=3 632 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,1,0,0,0,0|2,0,0]=3 633 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,1,0,0,0,0|2,0,0]=3 634 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,1,0,0,0,0|2,0,0]=3 635 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,1,0,0,0,0|2,0,0]=3 636 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,1,0,0,0,0|1,0,0]=2 637 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,1,0,0,0,0|1,0,0]=2 638 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,1,0,0,0,0|2,0,1]=4 639 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,1,0,0,0,0|2,0,1]=4 640 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,1,0,0,0,0|2,0,1]=4 641 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,1,0,0,0,0|2,0,1]=4 642 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,1,0,0,0,0|2,0,1]=4 643 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,1,0,0,0,0|2,0,1]=4 644 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,1,0,0,0,0|2,0,0]=3 645 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,1,0,0,0,0|2,0,0]=3 646 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,1,0,0,0,0|2,0,0]=3 647 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,1,0,0,0,0|2,0,0]=3 648 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,1,0,0,0,0|2,0,0]=3 649 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,1,0,0,0,0|2,0,0]=3 650 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,1,0,0,0,0|2,0,0]=3 651 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,1,0,0,0,0|2,0,0]=3 652 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,1,0,0,0,0|2,0,0]=3 653 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,0,0,0,0|2,0,0]=3 654 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,0,0,0,0|2,0,0]=3 655 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,0,0,0,0|2,0,0]=3 656 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,0,0,0,0|2,0,0]=3 657 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,0,0,0,0|2,0,0]=3 658 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,0,0,0,0|2,0,0]=3 659 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,0,0,0,0|2,0,0]=3 660 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,0,0,0,0|2,0,0]=3 661 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,1,0,0,0,0|3,0,0]=4 662 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,1,0,0,0,0|3,0,0]=4 663 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,1,0,0,0,0|3,0,0]=4 664 B7R0.3 CNC(=O)NCC#N 2708a_100000734998_106832991635 [0,1,0,0,0,0|1,0,1]=3 665 B7R0.3 CNC(=O)NCC#N 273464a_100000734998_100102657272 [0,1,0,0,0,0|1,0,1]=3 666 B7R0.3 CNC(=O)NCC#N 273464a_100102657272_100000734998 [0,1,0,0,0,0|1,0,1]=3 667 B7R0.3 CNC(=O)NCC#N 512a_100000734998_100102657272 [0,1,0,0,0,0|1,0,1]=3 668 B7R0.3 CNC(=O)NCC#N 512a_106832991638_100000734998 [0,1,0,0,0,0|1,0,1]=3 669 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,1,0,0,0,0|1,0,0]=2 670 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,1,0,0,0,0|1,0,0]=2 671 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,1,0,0,0,0|1,0,0]=2 672 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,1,0,0,0,0|1,0,0]=2 673 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,1,0,0,0,0|1,0,0]=2 674 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,1,0,0,0,0|1,0,0]=2 675 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,1,0,0,0,0|1,0,0]=2 676 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,1,0,0,0,0|1,0,0]=2 677 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,1,0,0,0,0|2,0,0]=3 678 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,1,0,0,0,0|2,0,0]=3 679 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,1,0,0,0,0|2,0,0]=3 680 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,1,0,0,0,0|2,0,0]=3 681 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,1,0,0,0,0|2,0,0]=3 682 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,1,0,0,0,0|1,0,0]=2 683 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,1,0,0,0,0|1,0,0]=2 684 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,1,0,0,0,0|1,0,0]=2 685 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,1,0,0,0,0|1,0,0]=2 686 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,1,0,0,0,0|1,0,0]=2 687 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,1,0,0,0,0|1,0,0]=2 688 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,1,0,0,0,0|1,0,0]=2 689 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,1,0,0,0,0|2,0,0]=3 690 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,1,0,0,0,0|2,0,0]=3 691 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,1,0,0,0,0|1,0,0]=2 692 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,1,0,0,0,0|1,0,0]=2 693 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,1,0,0,0,0|2,0,1]=4 694 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,1,0,0,0,0|2,0,1]=4 695 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,1,0,0,0,0|2,0,1]=4 696 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [0,1,0,0,0,0|2,0,1]=4 697 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [0,1,0,0,0,0|2,0,1]=4 698 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,1,0,0,0,0|2,0,1]=4 699 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,1,0,0,0,0|2,0,1]=4 700 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [0,1,0,0,0,0|2,0,1]=4 701 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [0,1,0,0,0,0|2,0,1]=4 702 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,1,0,0,0,0|3,0,0]=4 703 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,1,0,0,0,0|3,0,0]=4 704 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,1,0,0,0,0|1,0,0]=2 705 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,1,0,0,0,0|2,0,1]=4 706 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [0,1,0,0,0,0|2,0,1]=4 707 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [0,1,0,0,0,0|2,0,1]=4 708 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,1,0,0,0,0|3,0,0]=4 709 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,1,0,0,0,0|3,0,0]=4 710 B7R0.3 N#CCNC(=O)CO 527a_100000734998_100000210174 [0,1,0,0,0,0|2,0,1]=4 711 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,1,0,0,0,0|3,0,0]=4 712 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,1,0,0,0,0|3,0,0]=4 713 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,1,0,0,0,0|2,0,0]=3 714 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,1,0,0,0,0|2,0,0]=3 715 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,1,0,0,0,0|2,0,0]=3 716 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,1,0,0,0,0|2,0,0]=3 717 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,1,0,0,0,0|1,0,1]=3 718 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,0,0,0,0|2,0,0]=3 719 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,1,0,0,0,0|3,0,0]=4 720 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,1,0,0,0,0|3,0,0]=4 721 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,1,0,0,0,0|1,0,0]=2 722 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [0,1,0,0,0,0|2,0,0]=3 723 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,1,0,0,0,0|2,0,1]=4 724 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,1,0,0,0,0|1,0,1]=3 725 B7R0.5 C=C(Cl)C(=O)NNC 22a_100016993582_100000039160 [0,1,0,0,0,0|2,0,1]=4 726 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,1,0,0,0,0|1,0,1]=3 727 B7R0.5 C=C(F)C(=O)NNC 22a_100016993582_100000036797 [0,1,0,0,0,0|2,0,1]=4 728 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,1,0,0,0,0|2,0,1]=4 729 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|3,0,0]=4 730 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|3,0,0]=4 731 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,1,0,0,0,0|3,0,0]=4 732 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,1,0,0,0,0|3,0,0]=4 733 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,1,0,0,0,0|3,0,0]=4 734 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,1,0,0,0,0|3,0,0]=4 735 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,1,0,0,0,0|3,0,0]=4 736 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,1,0,0,0,0|3,0,0]=4 737 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,1,0,0,0,0|3,0,0]=4 738 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,0,0,0,0|3,0,0]=4 739 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,0,0,0,0|3,0,0]=4 740 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,1,0,0,0,0|2,0,1]=4 741 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,1,0,0,0,0|2,0,1]=4 742 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,1,0,0,0,0|2,0,1]=4 743 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,1,0,0,0,0|2,0,1]=4 744 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,1,0,0,0,0|2,0,0]=3 745 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,1,0,0,0,0|2,0,0]=3 746 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,1,0,0,0,0|2,0,0]=3 747 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,1,0,0,0,0|3,0,0]=4 748 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,1,0,0,0,0|2,0,0]=3 749 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,1,0,0,0,0|2,0,0]=3 750 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,1,0,0,0,0|2,0,0]=3 751 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,1,0,0,0,0|2,0,0]=3 752 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,0,0,0,0|2,0,0]=3 753 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,0,0,0,0|2,0,0]=3 754 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,0,0,0,0|1,0,0]=2 755 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,1,0,0,0,0|2,0,0]=3 756 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,0,0,0,0|1,0,0]=2 757 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,0,0,0,0|1,0,0]=2 758 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,0,0,0,0|1,0,0]=2 759 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,0,0,0,0|1,0,0]=2 760 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,1,0,0,0,0|1,0,0]=2 761 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,1,0,0,0,0|1,0,0]=2 762 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,1,0,0,0,0|1,0,0]=2 763 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,1,0,0,0,0|2,0,0]=3 764 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,1,0,0,0,0|2,0,0]=3 765 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,1,0,0,0,0|2,0,0]=3 766 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,1,0,0,0,0|2,0,0]=3 767 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,1,0,0,0,0|1,0,0]=2 768 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,0,0,0,0|1,0,0]=2 769 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,0,0,0,0|1,0,0]=2 770 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,1,0,0,0,0|2,0,1]=4 771 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,1,0,0,0,0|2,0,1]=4 772 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,1,0,0,0,0|3,0,0]=4 773 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,1,0,0,0,0|3,0,0]=4 774 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,1,0,0,0,0|3,0,0]=4 775 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,1,0,0,0,0|3,0,0]=4 776 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|3,0,0]=4 777 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,1,0,0,0,0|3,0,0]=4 778 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,1,0,0,0,0|3,0,0]=4 779 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,1,0,0,0,0|3,0,0]=4 780 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,1,0,0,0,0|3,0,0]=4 781 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,1,0,0,0,0|3,0,0]=4 782 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,1,0,0,0,0|3,0,0]=4 783 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,1,0,0,0,0|3,0,0]=4 784 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [0,1,0,0,0,0|3,0,0]=4 785 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,1,0,0,0,0|2,0,0]=3 786 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,1,0,0,0,0|2,0,0]=3 787 B7R0.5 CNNC(=O)C(F)F 22a_100016993582_100000210393 [0,1,0,0,0,0|3,0,0]=4 788 B7R0.5 CNNC(=O)C(O)O 22a_100016993582_100000233687 [0,1,0,0,0,0|3,0,0]=4 789 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,1,0,0,0,0|2,0,0]=3 790 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,1,0,0,0,0|2,0,0]=3 791 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|3,0,0]=4 792 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,1,0,0,0,0|3,0,0]=4 793 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,1,0,0,0,0|3,0,0]=4 794 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,1,0,0,0,0|3,0,0]=4 795 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,1,0,0,0,0|3,0,0]=4 796 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,1,0,0,0,0|3,0,0]=4 797 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,1,0,0,0,0|3,0,0]=4 798 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,1,0,0,0,0|3,0,0]=4 799 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|3,0,0]=4 800 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|3,0,0]=4 801 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,1,0,0,0,0|3,0,0]=4 802 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,1,0,0,0,0|3,0,0]=4 803 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,1,0,0,0,0|3,0,0]=4 804 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,1,0,0,0,0|3,0,0]=4 805 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,1,0,0,0,0|3,0,0]=4 806 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,1,0,0,0,0|3,0,0]=4 807 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,1,0,0,0,0|3,0,0]=4 808 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,1,0,0,0,0|3,0,0]=4 809 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,1,0,0,0,0|3,0,0]=4 810 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,1,0,0,0,0|3,0,0]=4 811 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,1,0,0,0,0|3,0,0]=4 812 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,1,0,0,0,0|3,0,0]=4 813 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,1,0,0,0,0|3,0,0]=4 814 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,1,0,0,0,0|2,0,1]=4 815 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,1,0,0,0,0|2,0,1]=4 816 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,1,0,0,0,0|1,0,2]=4 817 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,1,0,0,0,0|1,0,1]=3 818 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,0,0,0,0|2,0,1]=4 819 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,0,0,0,0|2,0,1]=4 820 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,1,0,0,0,0|1,0,2]=4 821 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,0,0,0,0|1,0,1]=3 822 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,0,0,0,0|1,0,1]=3 823 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,0,0,0,0|1,0,1]=3 824 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,1,0,0,0,0|2,0,1]=4 825 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,1,0,0,0,0|2,0,1]=4 826 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,1,0,0,0,0|2,0,1]=4 827 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,1,0,0,0,0|1,0,2]=4 828 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,1,0,0,0,0|2,0,1]=4 829 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,1,0,0,0,0|2,0,1]=4 830 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,1,0,0,0,0|2,0,1]=4 831 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,1,0,0,0,0|2,0,1]=4 832 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,1,0,0,0,0|2,0,0]=3 833 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,1,0,0,0,0|2,0,1]=4 834 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,1,0,0,0,0|2,0,1]=4 835 B7R0.7 CC#CC(=O)NNC 22a_100016993582_100000763181 [0,1,0,0,0,0|2,0,0]=3 836 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,0,0,0,0|2,0,0]=3 837 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,1,0,0,0,0|2,0,1]=4 838 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,1,0,0,0,0|2,0,1]=4 839 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,1,0,0,0,0|1,0,0]=2 840 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,1,0,0,0,0|1,0,0]=2 841 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,1,0,0,0,0|2,0,0]=3 842 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,1,0,0,0,0|2,0,1]=4 843 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,1,0,0,0,0|2,0,1]=4 844 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,1,0,0,0,0|2,0,1]=4 845 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,1,0,0,0,0|2,0,1]=4 846 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,1,0,0,0,0|2,0,1]=4 847 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,1,0,0,0,0|2,0,0]=3 848 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,1,0,0,0,0|2,0,0]=3 849 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,1,0,0,0,0|2,0,0]=3 850 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,1,0,0,0,0|2,0,0]=3 851 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,0,0,0,0|2,0,0]=3 852 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,0,0,0,0|2,0,0]=3 853 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,1,0,0,0,0|1,0,0]=2 854 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,1,0,0,0,0|1,1,0]=3 855 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,1,0,0,0,0|1,1,0]=3 856 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,1,0,0,0,0|1,1,0]=3 857 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,1,0,0,0,0|1,1,0]=3 858 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,1,0,0,0,0|1,1,0]=3 859 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,0,0,0,0|1,0,0]=2 860 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,0,0,0,0|1,0,0]=2 861 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,0,0,0,0|1,0,0]=2 862 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,1,0,0,0,0|2,0,0]=3 863 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,1,0,0,0,0|2,0,1]=4 864 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,1,0,0,0,0|2,0,1]=4 865 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,1,0,0,0,0|2,0,1]=4 866 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,1,0,0,0,0|2,0,1]=4 867 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,1,0,0,0,0|2,0,1]=4 868 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,1,0,0,0,0|2,0,1]=4 869 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,1,0,0,0,0|2,0,1]=4 870 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,1,0,0,0,0|2,0,1]=4 871 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,1,0,0,0,0|2,0,1]=4 872 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,1,0,0,0,0|2,0,1]=4 873 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,1,0,0,0,0|2,0,1]=4 874 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,1,0,0,0,0|2,0,1]=4 875 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,1,0,0,0,0|2,0,1]=4 876 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,1,0,0,0,0|3,0,0]=4 877 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,1,0,0,0,0|3,0,0]=4 878 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,1,0,0,0,0|2,0,1]=4 879 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,1,0,0,0,0|2,0,1]=4 880 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,1,0,0,0,0|1,0,1]=3 881 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,1,0,0,0,0|1,0,1]=3 882 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,1,0,0,0,0|1,0,1]=3 883 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,1,0,0,0,0|1,0,1]=3 884 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,1,0,0,0,0|1,0,0]=2 885 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,1,0,0,0,0|1,0,0]=2 886 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,1,0,0,0,0|1,0,0]=2 887 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,1,0,0,0,0|1,0,0]=2 888 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,1,0,0,0,0|1,0,0]=2 889 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,1,0,0,0,0|1,0,0]=2 890 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,1,0,0,0,0|0,0,0]=1 891 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,1,0,0,0,0|0,0,0]=1 892 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,1,0,0,0,0|0,0,0]=1 893 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,1,0,0,0,0|0,0,0]=1 894 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,1,0,0,0,0|0,1,0]=2 895 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,1,0,0,0,0|0,1,0]=2 896 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,1,0,0,0,0|0,1,0]=2 897 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,1,0,0,0,0|0,1,0]=2 898 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,1,0,0,0,0|0,1,0]=2 899 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,1,0,0,0,0|0,1,0]=2 900 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,1,0,0,0,0|0,1,0]=2 901 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,1,0,0,0,0|1,0,0]=2 902 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,1,0,0,0,0|1,0,0]=2 903 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,1,0,0,0,0|1,0,0]=2 904 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,1,0,0,0,0|1,0,0]=2 905 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,1,0,0,0,0|1,0,0]=2 906 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,1,0,0,0,0|1,0,0]=2 907 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,1,0,0,0,0|2,0,1]=4 908 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,1,0,0,0,0|1,0,1]=3 909 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,1,0,0,0,0|1,0,1]=3 910 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,1,0,0,0,0|1,1,1]=4 911 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,1,0,0,0,0|2,0,1]=4 912 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,1,0,0,0,0|2,0,1]=4 913 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,1,0,0,0,0|1,0,1]=3 914 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,1,0,0,0,0|2,0,0]=3 915 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,1,0,0,0,0|2,0,0]=3 916 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,1,0,0,0,0|2,0,0]=3 917 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,1,0,0,0,0|1,0,0]=2 918 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,1,0,0,0,0|1,1,0]=3 919 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,1,0,0,0,0|1,1,0]=3 920 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,1,0,0,0,0|1,1,0]=3 921 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,1,0,0,0,0|1,1,0]=3 922 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,1,0,0,0,0|2,0,1]=4 923 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,1,0,0,0,0|2,0,1]=4 924 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,1,0,0,0,0|2,0,1]=4 925 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,1,0,0,0,0|2,0,1]=4 926 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,1,0,0,0,0|2,0,0]=3 927 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,1,0,0,0,0|2,0,0]=3 928 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,1,0,0,0,0|2,0,0]=3 929 B7R0.7 CNNC(=O)CC#N 22a_100016993582_100051588842 [0,1,0,0,0,0|2,0,1]=4 930 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,1,0,0,0,0|2,0,0]=3 931 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,1,0,0,0,0|1,0,0]=2 932 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,1,0,0,0,0|1,1,0]=3 933 B7R0.7 CNNC(=O)NNC 512a_100016993582_100016993582 [0,1,0,0,0,0|2,0,0]=3 934 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,1,0,0,0,0|2,0,1]=4 935 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,1,0,0,0,0|2,0,0]=3 936 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,1,0,0,0,0|2,0,0]=3 937 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,1,0,0,0,0|1,0,0]=2 938 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,1,0,0,0,0|2,1,0]=4 939 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,1,0,0,0,0|2,1,0]=4 940 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,1,0,0,0,0|1,1,0]=3 941 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,1,0,0,0,0|1,1,0]=3 942 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,1,0,0,0,0|3,0,0]=4 943 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,1,0,0,0,0|3,0,0]=4 944 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,1,0,0,0,0|1,1,0]=3 945 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,1,0,0,0,0|1,1,0]=3 946 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,1,0,0,0,0|2,0,1]=4 947 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,0,0,0,0|2,0,1]=4 948 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,0,0,0,0|2,0,1]=4 949 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,0,0,0,0|2,0,1]=4 950 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,0,0,0,0|2,0,1]=4 951 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,1,0,0,0,0|1,0,1]=3 952 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,1,0,0,0,0|1,0,1]=3 953 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,0,0,0,0|2,0,0]=3 954 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|2,0,0]=3 955 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|2,0,0]=3 956 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,0,0,0,0|3,0,0]=4 957 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,0,0,0,0|3,0,0]=4 958 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,0,0,0,0|2,0,1]=4 959 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,0,0,0,0|3,0,0]=4 960 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,0,0,0,0|3,0,0]=4 961 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,0,0,0,0|3,0,0]=4 962 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,0,0,0,0|3,0,0]=4 963 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,0,0,0,0|3,0,0]=4 964 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,0,0,0,0|2,0,0]=3 965 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,0,0,0,0|3,0,0]=4 966 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,0,0,0,0|1,0,0]=2 967 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,0,0,0,0|1,0,0]=2 968 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,0,0,0,0|1,0,0]=2 969 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,0,0,0,0|1,0,0]=2 970 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,0,0,0,0|3,0,0]=4 971 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|3,0,0]=4 972 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,0,0,0,0|2,0,0]=3 973 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,0,0,0,0|2,0,0]=3 974 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,0,0,0,0|2,0,0]=3 975 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,0,0,0,0|2,0,0]=3 976 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,1,0,0,0,0|2,0,1]=4 977 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,1,0,0,0,0|2,0,1]=4 978 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,1,0,0,0,0|2,0,1]=4 979 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,1,0,0,0,0|2,0,1]=4 980 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,1,0,0,0,0|2,0,1]=4 981 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,1,0,0,0,0|2,0,1]=4 982 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,1,0,0,0,0|2,0,1]=4 983 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,1,0,0,0,0|2,0,1]=4 984 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,1,0,0,0,0|2,0,1]=4 985 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,1,0,0,0,0|2,0,1]=4 986 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,0,0,0,0|3,0,0]=4 987 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,0,0,0,0|2,0,0]=3 988 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,0,0,0,0|2,0,0]=3 989 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,0,0,0,0|2,0,0]=3 990 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,1,0,0,0,0|1,0,0]=2 991 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,1,0,0,0,0|1,0,0]=2 992 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [0,1,0,0,0,0|1,0,1]=3 993 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,1,0,0,0,0|3,0,0]=4 994 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,1,0,0,0,0|3,0,0]=4 995 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,1,0,0,0,0|3,0,0]=4 996 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,1,0,0,0,0|3,0,0]=4 997 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,1,0,0,0,0|2,0,0]=3 998 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,1,0,0,0,0|2,0,0]=3 999 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,1,0,0,0,0|2,0,0]=3 1000 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,1,0,0,0,0|2,0,0]=3 1001 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,1,0,0,0,0|3,0,0]=4 1002 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,1,0,0,0,0|3,0,0]=4 1003 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,1,0,0,0,0|3,0,0]=4 1004 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,1,0,0,0,0|3,0,0]=4 1005 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,1,0,0,0,0|3,0,0]=4 1006 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,1,0,0,0,0|3,0,0]=4 1007 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,1,0,0,0,0|3,0,0]=4 1008 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,1,0,0,0,0|3,0,0]=4 1009 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,1,0,0,0,0|3,0,0]=4 1010 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,1,0,0,0,0|3,0,0]=4 1011 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,1,0,0,0,0|3,0,0]=4 1012 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,1,0,0,0,0|3,0,0]=4 1013 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,1,0,0,0,0|3,0,0]=4 1014 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,1,0,0,0,0|3,0,0]=4 1015 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,1,0,0,0,0|3,0,0]=4 1016 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,1,0,0,0,0|3,0,0]=4 1017 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,1,0,0,0,0|3,0,0]=4 1018 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,1,0,0,0,0|3,0,0]=4 1019 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,1,0,0,0,0|3,0,0]=4 1020 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,1,0,0,0,0|3,0,0]=4 1021 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [0,1,0,0,0,0|3,0,0]=4 1022 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [0,1,0,0,0,0|3,0,0]=4 1023 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [0,1,0,0,0,0|3,0,0]=4 1024 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [0,1,0,0,0,0|3,0,0]=4 1025 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,1,0,0,0,0|3,0,0]=4 1026 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,1,0,0,0,0|3,0,0]=4 1027 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,1,0,0,0,0|3,0,0]=4 1028 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,1,0,0,0,0|3,0,0]=4 1029 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,1,0,0,0,0|3,0,0]=4 1030 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,1,0,0,0,0|2,0,0]=3 1031 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,1,0,0,0,0|2,0,0]=3 1032 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,1,0,0,0,0|2,0,0]=3 1033 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,1,0,0,0,0|2,0,0]=3 1034 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,1,0,0,0,0|2,0,0]=3 1035 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,1,0,0,0,0|2,0,0]=3 1036 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,1,0,0,0,0|2,0,0]=3 1037 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,1,0,0,0,0|2,0,0]=3 1038 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,1,0,0,0,0|2,0,0]=3 1039 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,1,0,0,0,0|2,0,0]=3 1040 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,1,0,0,0,0|2,0,1]=4 1041 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,1,0,0,0,0|2,0,1]=4 1042 B7R0.11 CCCS(=O)(=O)NC 270084a_100102657272_100000211391 [0,1,0,0,0,0|3,0,0]=4 1043 B7R0.11 CCCS(=O)(=O)NC 274078a_100102657272_100000211391 [0,1,0,0,0,0|3,0,0]=4 1044 B7R0.11 CCCS(=O)(=O)NC 40a_100102657272_100000054278 [0,1,0,0,0,0|3,0,0]=4 1045 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [0,1,0,0,0,0|2,0,1]=4 1046 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [0,1,0,0,0,0|2,0,0]=3 1047 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [0,1,0,0,0,0|2,0,0]=3 1048 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [0,1,0,0,0,0|2,0,0]=3 1049 B7R0.11 CCNS(=O)(=O)CCl 270084a_100015525214_100000031410 [0,1,0,0,0,0|3,0,0]=4 1050 B7R0.11 CCNS(=O)(=O)CCl 274078a_100015525214_100000031410 [0,1,0,0,0,0|3,0,0]=4 1051 B7R0.11 CCS(=O)(=O)NNC 40a_100016993582_100000053943 [0,1,0,0,0,0|3,0,0]=4 1052 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [0,1,0,0,0,0|2,0,1]=4 1053 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [0,1,0,0,0,0|2,0,1]=4 1054 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [0,1,0,0,0,0|2,0,1]=4 1055 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [0,1,0,0,0,0|2,0,1]=4 1056 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,1,0,0,0,0|2,0,1]=4 1057 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,1,0,0,0,0|2,0,1]=4 1058 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,1,0,0,0,0|2,0,1]=4 1059 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,1,0,0,0,0|2,0,1]=4 1060 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [0,1,0,0,0,0|2,0,1]=4 1061 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [0,1,0,0,0,0|2,0,1]=4 1062 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [0,1,0,0,0,0|2,0,1]=4 1063 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [0,1,0,0,0,0|2,0,1]=4 1064 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,1,0,0,0,0|2,0,1]=4 1065 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,1,0,0,0,0|2,0,1]=4 1066 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,1,0,0,0,0|2,0,1]=4 1067 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,1,0,0,0,0|2,0,1]=4 1068 B7R0.12 CCNC(C=O)C=O 2230a_100015525214_100000736813 [0,1,0,0,0,0|2,0,1]=4 1069 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [0,1,0,0,0,0|2,0,1]=4 1070 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [0,1,0,0,0,0|2,0,1]=4 1071 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [0,1,0,0,0,0|1,0,2]=4 1072 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,0,0,1,0,0|2,0,1]=4 1073 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,0,0,1,0,0|2,0,1]=4 1074 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,0,0,1,0,0|2,0,1]=4 1075 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,0,0,1,0,0|1,0,2]=4 1076 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,0,0,1,0,0|2,0,1]=4 1077 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,0,0,1,0,0|2,0,1]=4 1078 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,0,0,1,0,0|1,0,2]=4 1079 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,1,0,0|3,0,0]=4 1080 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,1,0,0|3,0,0]=4 1081 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,0,0,1,0,0|2,0,1]=4 1082 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,0,0,1,0,0|2,0,1]=4 1083 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,0,0,1,0,0|2,0,1]=4 1084 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,0,0,1,0,0|2,0,1]=4 1085 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,0,0,1,0,0|2,0,1]=4 1086 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,0,0,1,0,0|3,0,0]=4 1087 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,0,0,1,0,0|3,0,0]=4 1088 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,0,0,1,0,0|3,0,0]=4 1089 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,0,0,1,0,0|3,0,0]=4 1090 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,0,0,1,0,0|3,0,0]=4 1091 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,0,0,1,0,0|3,0,0]=4 1092 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,0,0,1,0,0|3,0,0]=4 1093 B7R1.21 CCNC1(CC1)C 2230a_100000757604_100000210202 [0,0,0,1,0,0|2,0,1]=4 1094 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,0,0,1,0,0|2,0,1]=4 1095 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,0,0,1,0,0|2,0,1]=4 1096 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,0,1,0,0|2,0,0]=3 1097 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,0,1,0,0|3,0,0]=4 1098 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,0,0,1,0,0|2,0,0]=3 1099 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,0,0,1,0,0|2,0,0]=3 1100 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,0,0,1,0,0|2,0,0]=3 1101 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,0,0,1,0,0|2,0,0]=3 1102 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,0,0,1,0,0|3,0,0]=4 1103 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,0,0,1,0,0|3,0,0]=4 1104 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,0,0,1,0,0|3,0,0]=4 1105 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,0,0,1,0,0|3,0,0]=4 1106 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,0,0,1,0,0|2,0,1]=4 1107 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,0,0,1,0,0|2,0,1]=4 1108 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,0,0,1,0,0|3,0,0]=4 1109 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,0,0,1,0,0|2,0,1]=4 1110 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,0,0,1,0,0|2,0,1]=4 1111 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,0,0,1,0,0|2,0,1]=4 1112 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,0,0,1,0,0|2,0,1]=4 1113 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [2,0,0,0,0,0|0,0,2]=4 1114 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [2,0,0,0,0,0|0,0,2]=4 1115 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|0,0,2]=4 1116 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|0,0,2]=4 1117 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,0]=3 1118 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,0]=3 1119 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [2,0,0,0,0,0|1,0,1]=4 1120 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [2,0,0,0,0,0|1,0,1]=4 1121 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|1,0,1]=4 1122 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,0]=2 1123 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,0]=2 1124 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,0]=2 1125 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|2,0,0]=4 1126 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|2,0,0]=4 1127 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|2,0,0]=4 1128 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|2,0,0]=4 1129 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|2,0,0]=4 1130 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|2,0,0]=4 1131 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|0,0,0]=2 1132 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|0,0,0]=2 1133 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|0,0,0]=2 1134 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|0,0,0]=2 1135 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [2,0,0,0,0,0|1,0,1]=4 1136 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [2,0,0,0,0,0|1,0,1]=4 1137 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [2,0,0,0,0,0|1,0,1]=4 1138 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [2,0,0,0,0,0|1,0,1]=4 1139 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [2,0,0,0,0,0|1,0,1]=4 1140 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|1,0,1]=4 1141 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|1,0,1]=4 1142 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,0]=3 1143 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 1144 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,1]=4 1145 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 1146 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|0,0,1]=3 1147 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|0,0,1]=3 1148 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|0,0,1]=3 1149 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|0,1,1]=4 1150 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|0,1,1]=4 1151 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|0,1,1]=4 1152 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|0,1,1]=4 1153 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|0,0,1]=3 1154 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|1,0,1]=4 1155 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|1,0,1]=4 1156 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|2,0,0]=4 1157 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|2,0,0]=4 1158 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|2,0,0]=4 1159 B4R0.2 CNCOC 2230a_106832991635_100000766300 [2,0,0,0,0,0|0,0,1]=3 1160 B4R0.2 CNCSC 2230a_106832991635_100011218213 [2,0,0,0,0,0|0,1,1]=4 1161 B4R0.2 CNCSC 34a_100102657272_100011218213 [2,0,0,0,0,0|0,1,1]=4 1162 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|2,0,0]=4 1163 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|1,0,1]=4 1164 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|1,0,1]=4 1165 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|1,0,1]=4 1166 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|1,0,1]=4 1167 B4R0.2 COCSC 34a_100138415774_100011218213 [2,0,0,0,0,0|1,0,1]=4 1168 B4R0.2 COCSC 62a_100000766300_200000210301 [2,0,0,0,0,0|1,0,1]=4 1169 B4R0.2 COCSC 62a_200000210301_100000766300 [2,0,0,0,0,0|1,0,1]=4 1170 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [2,0,0,0,0,0|1,0,1]=4 1171 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [2,0,0,0,0,0|1,0,1]=4 1172 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|2,0,0]=4 1173 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|2,0,0]=4 1174 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|1,0,1]=4 1175 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|1,0,1]=4 1176 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|2,0,0]=4 1177 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|2,0,0]=4 1178 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,1,0,0,0,0|1,0,1]=4 1179 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,1,0,0,0,0|1,0,1]=4 1180 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,1,0,0,0,0|1,0,1]=4 1181 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,1,0,0,0,0|1,0,1]=4 1182 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,1,0,0,0,0|1,0,1]=4 1183 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,1,0,0,0,0|1,0,1]=4 1184 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,1,0,0,0,0|1,0,1]=4 1185 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|1,0,0]=3 1186 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|1,0,0]=3 1187 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|1,0,0]=3 1188 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,1,0,0,0,0|2,0,0]=4 1189 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,1,0,0,0,0|2,0,0]=4 1190 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|1,0,0]=3 1191 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,1,0,0,0,0|2,0,0]=4 1192 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|0,0,0]=2 1193 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|0,0,0]=2 1194 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|0,0,0]=2 1195 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|0,0,0]=2 1196 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|1,0,0]=3 1197 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [1,1,0,0,0,0|1,0,1]=4 1198 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [1,1,0,0,0,0|1,0,1]=4 1199 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,1,0,0,0,0|2,0,0]=4 1200 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,1,0,0,0,0|2,0,0]=4 1201 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,1,0,0,0,0|2,0,0]=4 1202 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|1,0,0]=3 1203 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,1,0,0,0,0|2,0,0]=4 1204 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,1,0,0,0,0|1,0,1]=4 1205 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,1,0,0,0,0|1,0,1]=4 1206 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,1,0,0,0,0|2,0,0]=4 1207 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,1,0,0,0,0|2,0,0]=4 1208 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,1,0,0,0,0|2,0,0]=4 1209 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,1,0,0,0,0|2,0,0]=4 1210 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,1,0,0,0,0|2,0,0]=4 1211 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,1,0,0,0,0|1,0,0]=3 1212 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,1,0,0,0,0|1,0,0]=3 1213 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,1,0,0,0,0|1,0,0]=3 1214 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,1,0,0,0,0|1,0,0]=3 1215 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,1,0,0,0,0|1,0,0]=3 1216 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,1,0,0,0,0|0,0,0]=2 1217 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,1,0,0,0,0|0,0,0]=2 1218 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,1,0,0,0,0|0,0,0]=2 1219 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,1,0,0,0,0|0,0,0]=2 1220 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [1,1,0,0,0,0|1,0,1]=4 1221 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [1,1,0,0,0,0|1,0,1]=4 1222 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [1,1,0,0,0,0|1,0,1]=4 1223 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [1,1,0,0,0,0|1,0,1]=4 1224 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [1,1,0,0,0,0|1,0,1]=4 1225 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [1,1,0,0,0,0|1,0,1]=4 1226 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [1,1,0,0,0,0|1,0,1]=4 1227 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,1,0,0,0,0|2,0,0]=4 1228 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,1,0,0,0,0|2,0,0]=4 1229 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,1,0,0,0,0|2,0,0]=4 1230 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,1,0,0,0,0|2,0,0]=4 1231 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,1,0,0,0,0|2,0,0]=4 1232 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,1,0,0,0,0|2,0,0]=4 1233 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,1,0,0,0,0|2,0,0]=4 1234 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,1,0,0,0,0|2,0,0]=4 1235 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,1,0,0,0,0|2,0,0]=4 1236 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,1,0,0,0,0|2,0,0]=4 1237 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,1,0,0,0,0|2,0,0]=4 1238 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,1,0,0,0,0|2,0,0]=4 1239 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,1,0,0,0,0|2,0,0]=4 1240 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,1,0,0,0,0|2,0,0]=4 1241 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,1,0,0,0,0|1,0,1]=4 1242 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,1,0,0,0,0|1,0,1]=4 1243 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,1,0,0,0,0|1,0,1]=4 1244 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,1,0,0,0,0|0,0,1]=3 1245 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,1,0,0,0,0|0,0,1]=3 1246 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,1,0,0,0,0|0,0,1]=3 1247 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,1,0,0,0,0|0,0,1]=3 1248 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|1,0,1]=4 1249 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,1,0,0,0,0|2,0,0]=4 1250 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,1,0,0,0,0|2,0,0]=4 1251 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,1,0,0,0,0|2,0,0]=4 1252 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|2,0,0]=4 1253 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|2,0,0]=4 1254 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|2,0,0]=4 1255 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,1,0,0,0,0|2,0,0]=4 1256 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,1,0,0,0,0|2,0,0]=4 1257 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,1,0,0,0,0|2,0,0]=4 1258 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,1,0,0,0,0|2,0,0]=4 1259 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|1,0,0]=3 1260 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|2,0,0]=4 1261 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|2,0,0]=4 1262 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|2,0,0]=4 1263 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|2,0,0]=4 1264 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,1,0,0,0,0|1,0,1]=4 1265 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,1,0,0,0,0|1,0,1]=4 1266 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,1,0,0,0,0|1,0,1]=4 1267 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,1,0,0,0,0|1,0,1]=4 1268 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,1,0,0,0,0|0,0,1]=3 1269 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,1,0,0,0,0|0,0,1]=3 1270 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,1,0,0,0,0|0,0,1]=3 1271 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,1,0,0,0,0|1,0,1]=4 1272 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,1,0,0,0,0|2,0,0]=4 1273 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,1,0,0,0,0|2,0,0]=4 1274 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,1,0,0,0,0|2,0,0]=4 1275 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,1,0,0,0,0|2,0,0]=4 1276 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,1,0,0,0,0|1,0,1]=4 1277 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,1,0,0,0,0|1,0,1]=4 1278 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,1,0,0,0,0|1,0,1]=4 1279 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|1,0,0]=3 1280 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|1,0,0]=3 1281 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|1,0,0]=3 1282 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|1,0,0]=3 1283 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|1,0,0]=3 1284 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|1,0,0]=3 1285 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|2,0,0]=4 1286 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,1,0,0,0,0|0,0,1]=3 1287 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,1,0,0,0,0|0,0,1]=3 1288 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|0,0,0]=2 1289 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|0,0,0]=2 1290 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|0,0,0]=2 1291 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|0,0,0]=2 1292 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|0,0,0]=2 1293 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|0,0,0]=2 1294 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|1,0,0]=3 1295 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|1,0,0]=3 1296 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,1,0,0,0,0|1,0,1]=4 1297 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,1,0,0,0,0|1,0,1]=4 1298 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,1,0,0,0,0|1,0,1]=4 1299 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,1,0,0,0,0|1,0,1]=4 1300 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,1,0,0,0,0|1,0,1]=4 1301 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,1,0,0,0,0|1,0,1]=4 1302 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,1,0,0,0,0|1,0,1]=4 1303 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|1,0,1]=4 1304 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|1,0,1]=4 1305 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|1,0,1]=4 1306 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,1,0,0,0,0|0,0,1]=3 1307 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|1,0,0]=3 1308 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|1,0,0]=3 1309 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|1,0,0]=3 1310 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|1,0,0]=3 1311 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|1,0,0]=3 1312 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|1,0,0]=3 1313 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|1,0,0]=3 1314 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|0,0,0]=2 1315 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|0,0,0]=2 1316 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|0,0,0]=2 1317 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|0,0,0]=2 1318 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,1,0,0,0,0|1,0,1]=4 1319 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,1,0,0,0,0|1,0,1]=4 1320 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|1,0,0]=3 1321 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|1,0,0]=3 1322 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|0,0,0]=2 1323 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,1,0,0,0,0|1,0,1]=4 1324 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,1,0,0,0,0|1,0,1]=4 1325 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,1,0,0,0,0|1,0,1]=4 1326 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,1,0,0,0,0|1,0,1]=4 1327 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,1,0,0,0,0|0,0,2]=4 1328 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,1,0,0,0,0|0,0,2]=4 1329 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,1,0,0,0,0|0,0,2]=4 1330 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,1,0,0,0,0|0,0,2]=4 1331 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|0,0,0]=2 1332 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|1,0,0]=3 1333 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|1,0,0]=3 1334 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,1,0,0,0,0|2,0,0]=4 1335 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|1,0,0]=3 1336 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,1,0,0,0,0|1,0,1]=4 1337 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|1,0,0]=3 1338 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,1,0,0,0,0|2,0,0]=4 1339 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,1,0,0,0,0|2,0,0]=4 1340 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|1,0,0]=3 1341 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,1,0,0,0,0|1,0,1]=4 1342 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,1,0,0,0,0|1,0,1]=4 1343 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,1,0,0,0,0|2,0,0]=4 1344 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,1,0,0,0,0|2,0,0]=4 1345 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,1,0,0,0,0|2,0,0]=4 1346 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,1,0,0,0,0|2,0,0]=4 1347 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|1,0,0]=3 1348 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,1,0,0,0,0|2,0,0]=4 1349 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,1,0,0,0,0|2,0,0]=4 1350 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,1,0,0,0,0|2,0,0]=4 1351 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|1,0,0]=3 1352 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,1,0,0,0,0|2,0,0]=4 1353 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|1,0,1]=4 1354 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|1,0,1]=4 1355 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,1,0,0,0,0|2,0,0]=4 1356 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,1,0,0,0,0|2,0,0]=4 1357 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|1,0,0]=3 1358 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|1,0,0]=3 1359 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|1,0,0]=3 1360 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|1,0,0]=3 1361 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,1,0,0,0,0|2,0,0]=4 1362 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,1,0,0,0,0|2,0,0]=4 1363 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,1,0,0,0,0|2,0,0]=4 1364 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|1,0,0]=3 1365 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,1,0,0,0,0|1,0,1]=4 1366 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|1,0,0]=3 1367 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,1,0,0,0,0|2,0,0]=4 1368 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,1,0,0,0,0|2,0,0]=4 1369 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|1,0,0]=3 1370 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|1,0,0]=3 1371 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|1,0,0]=3 1372 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|1,0,0]=3 1373 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,1,0,0,0,0|2,0,0]=4 1374 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,1,0,0,0,0|2,0,0]=4 1375 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|1,0,0]=3 1376 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,1,0,0,0,0|1,0,1]=4 1377 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,1,0,0,0,0|1,0,1]=4 1378 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|1,0,0]=3 1379 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|1,0,0]=3 1380 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,1,0,0,0,0|1,0,0]=3 1381 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,1,0,0,0,0|1,0,1]=4 1382 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,1,0,0,0,0|1,0,1]=4 1383 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,1,0,0,0,0|2,0,0]=4 1384 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,1,0,0,0,0|2,0,0]=4 1385 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,1,0,0,0,0|2,0,0]=4 1386 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,1,0,0,0,0|2,0,0]=4 1387 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,1,0,0,0,0|2,0,0]=4 1388 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [1,1,0,0,0,0|1,0,1]=4 1389 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [1,1,0,0,0,0|1,0,0]=3 1390 B6R0.5 CNNS(=O)(=O)C 40a_100016993582_100000738038 [1,1,0,0,0,0|2,0,0]=4 1391 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,1,0,0,0,0|2,0,0]=4 1392 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,1,0,0,0,0|2,0,0]=4 1393 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,1,0,0,0,0|2,0,0]=4 1394 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,1,0,0,0,0|2,0,0]=4 1395 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,1,0,0,0,0|2,0,0]=4 1396 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,1,0,0,0,0|2,0,0]=4 1397 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [1,1,0,0,0,0|0,0,2]=4 1398 B6R0.6 CC#CCNCC 2230a_100000685387_100000210202 [1,1,0,0,0,0|1,0,1]=4 1399 B6R0.6 CC#CCNCC 2230a_100015525214_100000748600 [1,1,0,0,0,0|1,0,1]=4 1400 B6R0.6 CC#CCNCC 34a_100000685387_100000210202 [1,1,0,0,0,0|1,0,1]=4 1401 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,1,0,0,0,0|2,0,0]=4 1402 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,1,0,0,0,0|2,0,0]=4 1403 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,1,0,0,0,0|2,0,0]=4 1404 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,1,0,0,0,0|1,0,0]=3 1405 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,1,0,0,0,0|1,0,0]=3 1406 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,1,0,0,0,0|1,0,0]=3 1407 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,1,0,0,0,0|1,1,0]=4 1408 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,1,0,0,0,0|1,1,0]=4 1409 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,1,0,0,0,0|1,1,0]=4 1410 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,1,0,0,0,0|1,1,0]=4 1411 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,1,0,0,0,0|1,0,0]=3 1412 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,1,0,0,0,0|2,0,0]=4 1413 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,1,0,0,0,0|2,0,0]=4 1414 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,1,0,0,0,0|2,0,0]=4 1415 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,1,0,0,0,0|2,0,0]=4 1416 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [1,1,0,0,0,0|2,0,0]=4 1417 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [1,1,0,0,0,0|1,0,1]=4 1418 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [1,1,0,0,0,0|1,0,1]=4 1419 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [1,1,0,0,0,0|1,0,1]=4 1420 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,1,0,0,0,0|1,0,0]=3 1421 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,1,0,0,0,0|1,0,1]=4 1422 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,1,0,0,0,0|1,0,1]=4 1423 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,1,0,0,0,0|1,0,1]=4 1424 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,1,0,0,0,0|1,0,1]=4 1425 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,1,0,0,0,0|1,0,1]=4 1426 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,1,0,0,0,0|1,0,1]=4 1427 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,1,0,0,0,0|1,0,1]=4 1428 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,1,0,0,0,0|1,0,1]=4 1429 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,1,0,0,0,0|1,0,1]=4 1430 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,1,0,0,0,0|1,0,1]=4 1431 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,1,0,0,0,0|1,0,1]=4 1432 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,1,0,0,0,0|1,0,1]=4 1433 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,1,0,0,0,0|1,0,1]=4 1434 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,1,0,0,0,0|1,0,1]=4 1435 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,1,0,0,0,0|1,0,1]=4 1436 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,1,0,0,0,0|1,0,1]=4 1437 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,1,0,0,0,0|1,0,1]=4 1438 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,1,0,0,0,0|1,0,1]=4 1439 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,1,0,0,0,0|1,0,1]=4 1440 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,1,0,0,0,0|1,0,1]=4 1441 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,1,0,0,0,0|1,0,1]=4 1442 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,1,0,0,0,0|1,0,1]=4 1443 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,1,0,0,0,0|0,0,1]=3 1444 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,1,0,0,0,0|0,0,1]=3 1445 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,1,0,0,0,0|0,1,1]=4 1446 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,1,0,0,0,0|0,1,1]=4 1447 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,1,0,0,0,0|1,0,1]=4 1448 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,1,0,0,0,0|1,0,1]=4 1449 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,1,0,0,0,0|1,0,1]=4 1450 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,1,0,0,0,0|1,0,1]=4 1451 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,1,0,0,0,0|1,0,1]=4 1452 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,1,0,0,0,0|1,0,1]=4 1453 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,1,0,0,0,0|1,0,1]=4 1454 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,1,0,0,0,0|1,0,1]=4 1455 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,1,0,0,0,0|1,0,1]=4 1456 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,1,0,0,0,0|1,0,1]=4 1457 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,1,0,0,0,0|1,0,1]=4 1458 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,1,0,0,0,0|1,0,1]=4 1459 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,1,0,0,0,0|1,0,1]=4 1460 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,1,0,0,0,0|1,0,1]=4 1461 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,1,0,0,0,0|1,0,1]=4 1462 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,1,0,0,0,0|1,0,1]=4 1463 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [1,1,0,0,0,0|1,0,1]=4 1464 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [1,1,0,0,0,0|1,0,1]=4 1465 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [1,1,0,0,0,0|1,0,1]=4 1466 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [1,1,0,0,0,0|1,0,1]=4 1467 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [1,1,0,0,0,0|1,0,1]=4 1468 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [1,1,0,0,0,0|1,0,1]=4 1469 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,1,0,0,0,0|1,0,1]=4 1470 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,1,0,0,0,0|1,0,1]=4 1471 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,1,0,0,0,0|1,0,1]=4 1472 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,1,0,0,0,0|1,0,1]=4 1473 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,1,0,0,0,0|1,0,1]=4 1474 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,1,0,0,0,0|1,0,1]=4 1475 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,1,0,0,0,0|1,0,1]=4 1476 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,1,0,0,0,0|1,0,1]=4 1477 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,1,0,0,0,0|1,0,1]=4 1478 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [1,1,0,0,0,0|1,0,1]=4 1479 B6R0.6 COCCCOC 34a_100000740835_200000210301 [1,1,0,0,0,0|1,0,1]=4 1480 B6R0.6 COCCCOC 34a_100138415774_100000740836 [1,1,0,0,0,0|1,0,1]=4 1481 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [1,1,0,0,0,0|1,0,1]=4 1482 B6R0.6 COCCCSC 34a_100000690336_200000210301 [1,1,0,0,0,0|1,0,1]=4 1483 B6R0.6 COCCCSC 62a_100000709357_200000210301 [1,1,0,0,0,0|1,0,1]=4 1484 B6R0.6 COCCCSC 62a_200000210301_100000709357 [1,1,0,0,0,0|1,0,1]=4 1485 B6R0.6 COCCCSC 7a_100000690336_200000210301 [1,1,0,0,0,0|1,0,1]=4 1486 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [1,1,0,0,0,0|1,0,1]=4 1487 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [1,1,0,0,0,0|1,0,1]=4 1488 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [1,1,0,0,0,0|0,0,1]=3 1489 B6R0.6 COCSCCF 62a_100000766300_100011217306 [1,1,0,0,0,0|1,0,1]=4 1490 B6R0.6 COCSCCF 62a_100011217306_100000766300 [1,1,0,0,0,0|1,0,1]=4 1491 B6R0.6 COCSCCO 62a_100000211926_100000766300 [1,1,0,0,0,0|1,0,1]=4 1492 B6R0.6 COCSCCO 62a_100000766300_100000211926 [1,1,0,0,0,0|1,0,1]=4 1493 B6R0.6 COCSCOC 62a_100000766300_100000766300 [1,1,0,0,0,0|1,0,1]=4 1494 B6R0.6 COCSCSC 62a_100000766300_100011218213 [1,1,0,0,0,0|1,0,1]=4 1495 B6R0.6 COCSCSC 62a_100011218213_100000766300 [1,1,0,0,0,0|1,0,1]=4 1496 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [1,1,0,0,0,0|1,0,1]=4 1497 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [1,1,0,0,0,0|1,0,1]=4 1498 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [1,1,0,0,0,0|0,1,1]=4 1499 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,1,0,0,0,0|0,1,1]=4 1500 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,1,0,0,0,0|0,1,1]=4 1501 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,1,0,0,0,0|1,0,1]=4 1502 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,1,0,0,0,0|1,0,1]=4 1503 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,1,0,0,0,0|1,0,1]=4 1504 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,1,0,0,0,0|1,0,1]=4 1505 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,1,0,0,0,0|1,0,1]=4 1506 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,1,0,0,0,0|1,0,1]=4 1507 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,1,0,0,0,0|1,0,1]=4 1508 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [1,1,0,0,0,0|1,0,1]=4 1509 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [1,1,0,0,0,0|1,0,1]=4 1510 B6R0.8 CCS(=O)(=O)NC 270084a_100102657272_100000211323 [1,1,0,0,0,0|2,0,0]=4 1511 B6R0.8 CCS(=O)(=O)NC 274078a_100102657272_100000211323 [1,1,0,0,0,0|2,0,0]=4 1512 B6R0.8 CCS(=O)(=O)NC 40a_100102657272_100000053943 [1,1,0,0,0,0|2,0,0]=4 1513 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [1,1,0,0,0,0|1,0,1]=4 1514 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [1,1,0,0,0,0|1,0,1]=4 1515 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [1,1,0,0,0,0|1,0,1]=4 1516 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [1,1,0,0,0,0|1,0,1]=4 1517 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,1,0,0,0,0|1,0,1]=4 1518 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,1,0,0,0,0|1,0,1]=4 1519 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,1,0,0,0,0|1,0,1]=4 1520 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,1,0,0,0,0|1,0,1]=4 1521 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,1,0,0,0,0|1,0,1]=4 1522 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,1,0,0,0,0|1,0,1]=4 1523 B8R0.2 C=C(Br)C(=O)N(C)CC 11a_100000225621_100009813364 [0,2,0,0,0,0|1,0,1]=4 1524 B8R0.2 C=C(Br)C(=O)N(C)CC 1626a_100000225621_100009813364 [0,2,0,0,0,0|1,0,1]=4 1525 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,2,0,0,0,0|2,0,0]=4 1526 B8R0.2 C=C(C)C(=O)N(C)CC 11a_100000225621_100000185857 [0,2,0,0,0,0|1,0,0]=3 1527 B8R0.2 C=C(C)C(=O)N(C)CC 1626a_100000225621_100000185857 [0,2,0,0,0,0|1,0,0]=3 1528 B8R0.2 C=C(Cl)C(=O)N(C)CC 11a_100000225621_100000039160 [0,2,0,0,0,0|1,0,1]=4 1529 B8R0.2 C=C(Cl)C(=O)N(C)CC 1626a_100000225621_100000039160 [0,2,0,0,0,0|1,0,1]=4 1530 B8R0.2 C=C(F)C(=O)N(C)CC 11a_100000225621_100000036797 [0,2,0,0,0,0|1,0,1]=4 1531 B8R0.2 C=C(F)C(=O)N(C)CC 1626a_100000225621_100000036797 [0,2,0,0,0,0|1,0,1]=4 1532 B8R0.2 C=CC(=O)N(C)C(C)C 1626a_200000211004_100000185746 [0,2,0,0,0,0|1,0,1]=4 1533 B8R0.2 C=CC(=O)N(C)C(C)C 240690a_200000211004_200121576911 [0,2,0,0,0,0|1,0,1]=4 1534 B8R0.2 CC(C)N(C)C(=O)CO 240690a_200000211004_100000210174 [0,2,0,0,0,0|2,0,0]=4 1535 B8R0.2 CC(C)N(C)C(=O)CO 527a_200000211004_100000210174 [0,2,0,0,0,0|2,0,0]=4 1536 B8R0.2 CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210202 [0,2,0,0,0,0|2,0,0]=4 1537 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,2,0,0,0,0|2,0,0]=4 1538 B8R0.2 CCC(=O)N(C)C(C)C 11a_200000211004_100000210414 [0,2,0,0,0,0|1,0,0]=3 1539 B8R0.2 CCC(=O)N(C)C(C)C 1626a_200000211004_100000210414 [0,2,0,0,0,0|1,0,0]=3 1540 B8R0.2 CCC(=O)N(C)C(C)C 240690a_200000211004_100000210414 [0,2,0,0,0,0|1,0,0]=3 1541 B8R0.2 CCC(=O)N(C)C(C)C 527a_200000211004_100000210414 [0,2,0,0,0,0|1,0,0]=3 1542 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [0,2,0,0,0,0|2,0,0]=4 1543 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [0,2,0,0,0,0|2,0,0]=4 1544 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [0,2,0,0,0,0|2,0,0]=4 1545 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [0,2,0,0,0,0|2,0,0]=4 1546 B8R0.2 CCC(C)C(=O)N(C)C 11a_100102631434_100011192722 [0,2,0,0,0,0|2,0,0]=4 1547 B8R0.2 CCC(C)C(=O)N(C)C 1626a_100102631434_100011192722 [0,2,0,0,0,0|2,0,0]=4 1548 B8R0.2 CCC(C)C(=O)N(C)C 240690a_100102631434_100011192722 [0,2,0,0,0,0|2,0,0]=4 1549 B8R0.2 CCC(C)C(=O)N(C)C 527a_100102631434_100011192722 [0,2,0,0,0,0|2,0,0]=4 1550 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,2,0,0,0,0|2,0,0]=4 1551 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,2,0,0,0,0|2,0,0]=4 1552 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [0,2,0,0,0,0|2,0,0]=4 1553 B8R0.2 CCC(O)C(=O)N(C)C 240690a_100102631434_100011196387 [0,2,0,0,0,0|2,0,0]=4 1554 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [0,2,0,0,0,0|2,0,0]=4 1555 B8R0.2 CCN(C)C(=O)C(C)C 11a_100000225621_100000210198 [0,2,0,0,0,0|1,0,0]=3 1556 B8R0.2 CCN(C)C(=O)C(C)C 1626a_100000225621_100000210198 [0,2,0,0,0,0|1,0,0]=3 1557 B8R0.2 CCN(C)C(=O)C(C)C 240690a_100000225621_100000210198 [0,2,0,0,0,0|1,0,0]=3 1558 B8R0.2 CCN(C)C(=O)C(C)C 527a_100000225621_100000210198 [0,2,0,0,0,0|1,0,0]=3 1559 B8R0.2 CCN(C)C(=O)C(C)F 11a_100000225621_100000062450 [0,2,0,0,0,0|1,0,0]=3 1560 B8R0.2 CCN(C)C(=O)C(C)F 1626a_100000225621_100000062450 [0,2,0,0,0,0|1,0,0]=3 1561 B8R0.2 CCN(C)C(=O)C(C)F 240690a_100000225621_100000062450 [0,2,0,0,0,0|1,0,0]=3 1562 B8R0.2 CCN(C)C(=O)C(C)F 527a_100000225621_100000062450 [0,2,0,0,0,0|1,0,0]=3 1563 B8R0.2 CCN(C)C(=O)C(F)F 11a_100000225621_100000210393 [0,2,0,0,0,0|2,0,0]=4 1564 B8R0.2 CCN(C)C(=O)C(F)F 1626a_100000225621_100000210393 [0,2,0,0,0,0|2,0,0]=4 1565 B8R0.2 CCN(C)C(=O)C(F)F 240690a_100000225621_100000210393 [0,2,0,0,0,0|2,0,0]=4 1566 B8R0.2 CCN(C)C(=O)C(F)F 527a_100000225621_100000210393 [0,2,0,0,0,0|2,0,0]=4 1567 B8R0.2 CCN(C)C(=O)C(O)O 240690a_100000225621_100000233687 [0,2,0,0,0,0|2,0,0]=4 1568 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [0,2,0,0,0,0|1,0,0]=3 1569 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [0,2,0,0,0,0|1,0,0]=3 1570 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [0,2,0,0,0,0|1,0,0]=3 1571 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [0,2,0,0,0,0|2,0,0]=4 1572 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [0,2,0,0,0,0|2,0,0]=4 1573 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [0,2,0,0,0,0|2,0,0]=4 1574 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [0,2,0,0,0,0|2,0,0]=4 1575 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [0,2,0,0,0,0|2,0,0]=4 1576 B8R0.2 CNC(=O)N(C)C(C)C 2708a_100102657272_200000211004 [0,2,0,0,0,0|1,0,0]=3 1577 B8R0.2 CNC(=O)N(C)C(C)C 273464a_100102657272_200000211004 [0,2,0,0,0,0|1,0,0]=3 1578 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [0,2,0,0,0,0|2,0,0]=4 1579 B8R0.2 COC(=O)C(=O)N(C)C 11a_100102631434_100000024059 [0,2,0,0,0,0|2,0,0]=4 1580 B8R0.2 COC(=O)C(=O)N(C)C 1626a_100102631434_100000024059 [0,2,0,0,0,0|2,0,0]=4 1581 B8R0.2 COC(=O)C(=O)N(C)C 240690a_100102631434_100000024059 [0,2,0,0,0,0|2,0,0]=4 1582 B8R0.2 COC(=O)C(=O)N(C)C 527a_100102631434_100000024059 [0,2,0,0,0,0|2,0,0]=4 1583 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,2,0,0,0,0|1,0,1]=4 1584 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,2,0,0,0,0|1,0,1]=4 1585 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,2,0,0,0,0|1,0,1]=4 1586 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [0,2,0,0,0,0|2,0,0]=4 1587 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [0,2,0,0,0,0|2,0,0]=4 1588 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [0,2,0,0,0,0|2,0,0]=4 1589 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [0,2,0,0,0,0|2,0,0]=4 1590 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [0,2,0,0,0,0|2,0,0]=4 1591 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [0,2,0,0,0,0|2,0,0]=4 1592 B8R0.2 COC(C)N(C)C(C)C 269982a_200000211004_100009879195 [0,2,0,0,0,0|1,0,1]=4 1593 B8R0.5 C#CCC(=O)NC(C)C 1626a_100138425928_100011220946 [0,2,0,0,0,0|1,0,1]=4 1594 B8R0.5 C#CCC(=O)NC(C)C 527a_100138425928_100011220946 [0,2,0,0,0,0|1,0,1]=4 1595 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,2,0,0,0,0|2,0,0]=4 1596 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,2,0,0,0,0|1,0,1]=4 1597 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [0,2,0,0,0,0|1,0,1]=4 1598 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [0,2,0,0,0,0|1,0,1]=4 1599 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [0,2,0,0,0,0|1,0,1]=4 1600 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [0,2,0,0,0,0|1,0,1]=4 1601 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,2,0,0,0,0|2,0,0]=4 1602 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [0,2,0,0,0,0|2,0,0]=4 1603 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,2,0,0,0,0|2,0,0]=4 1604 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,2,0,0,0,0|0,1,1]=4 1605 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,2,0,0,0,0|2,0,0]=4 1606 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,2,0,0,0,0|2,0,0]=4 1607 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,2,0,0,0,0|2,0,0]=4 1608 B8R0.5 CC(C)NC(=O)C=CBr 1626a_100138425928_100016273825 [0,2,0,0,0,0|1,0,1]=4 1609 B8R0.5 CC(C)NC(=O)C=CBr 240690a_100138425928_100016273825 [0,2,0,0,0,0|1,0,1]=4 1610 B8R0.5 CC(C)NC(=O)C=CCl 11a_100138425928_200016279998 [0,2,0,0,0,0|1,0,1]=4 1611 B8R0.5 CC(C)NC(=O)C=CCl 1626a_100138425928_200016279998 [0,2,0,0,0,0|1,0,1]=4 1612 B8R0.5 CC(C)NC(=O)C=CCl 240690a_100138425928_200016279998 [0,2,0,0,0,0|1,0,1]=4 1613 B8R0.5 CC(C)NC(=O)C=CI 1626a_100138425928_100016256311 [0,2,0,0,0,0|1,0,1]=4 1614 B8R0.5 CC(C)NC(=O)CC#N 1626a_100138425928_100051588842 [0,2,0,0,0,0|1,0,1]=4 1615 B8R0.5 CC(C)NC(=O)CC#N 240690a_100138425928_100051588842 [0,2,0,0,0,0|1,0,1]=4 1616 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,2,0,0,0,0|1,0,0]=3 1617 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,2,0,0,0,0|1,0,0]=3 1618 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,2,0,0,0,0|0,1,0]=3 1619 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,2,0,0,0,0|0,1,0]=3 1620 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,2,0,0,0,0|1,1,0]=4 1621 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,2,0,0,0,0|1,1,0]=4 1622 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,2,0,0,0,0|2,0,0]=4 1623 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,2,0,0,0,0|2,0,0]=4 1624 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,2,0,0,0,0|2,0,0]=4 1625 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,2,0,0,0,0|1,0,0]=3 1626 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,2,0,0,0,0|1,0,0]=3 1627 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,2,0,0,0,0|1,0,0]=3 1628 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,2,0,0,0,0|2,0,0]=4 1629 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,2,0,0,0,0|2,0,0]=4 1630 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,2,0,0,0,0|2,0,0]=4 1631 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,2,0,0,0,0|2,0,0]=4 1632 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,2,0,0,0,0|2,0,0]=4 1633 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,2,0,0,0,0|2,0,0]=4 1634 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,2,0,0,0,0|2,0,0]=4 1635 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,2,0,0,0,0|2,0,0]=4 1636 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,2,0,0,0,0|2,0,0]=4 1637 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,2,0,0,0,0|2,0,0]=4 1638 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,2,0,0,0,0|2,0,0]=4 1639 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,2,0,0,0,0|2,0,0]=4 1640 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,2,0,0,0,0|1,1,0]=4 1641 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,2,0,0,0,0|1,0,0]=3 1642 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,2,0,0,0,0|1,0,0]=3 1643 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,2,0,0,0,0|1,0,0]=3 1644 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,2,0,0,0,0|1,0,0]=3 1645 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,2,0,0,0,0|1,0,0]=3 1646 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,2,0,0,0,0|1,0,0]=3 1647 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,2,0,0,0,0|1,0,0]=3 1648 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,2,0,0,0,0|1,0,0]=3 1649 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,2,0,0,0,0|1,0,0]=3 1650 B8R0.5 CCNC(=O)C=C(Cl)Cl 240690a_100015525214_100000137448 [0,2,0,0,0,0|1,0,1]=4 1651 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,2,0,0,0,0|1,0,0]=3 1652 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,2,0,0,0,0|1,0,1]=4 1653 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,2,0,0,0,0|1,0,1]=4 1654 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,2,0,0,0,0|1,0,0]=3 1655 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,2,0,0,0,0|1,0,0]=3 1656 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,2,0,0,0,0|1,0,0]=3 1657 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,2,0,0,0,0|1,0,0]=3 1658 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,2,0,0,0,0|1,0,0]=3 1659 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,2,0,0,0,0|1,0,0]=3 1660 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,2,0,0,0,0|1,0,0]=3 1661 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,2,0,0,0,0|1,0,0]=3 1662 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,2,0,0,0,0|1,0,0]=3 1663 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,2,0,0,0,0|1,0,0]=3 1664 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,2,0,0,0,0|1,0,0]=3 1665 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,2,0,0,0,0|1,0,0]=3 1666 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,2,0,0,0,0|1,0,0]=3 1667 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,2,0,0,0,0|0,1,0]=3 1668 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,2,0,0,0,0|0,1,0]=3 1669 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,2,0,0,0,0|0,1,0]=3 1670 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,2,0,0,0,0|1,0,0]=3 1671 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,2,0,0,0,0|1,0,0]=3 1672 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,2,0,0,0,0|1,0,0]=3 1673 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,2,0,0,0,0|1,0,0]=3 1674 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,2,0,0,0,0|1,0,0]=3 1675 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,2,0,0,0,0|1,0,1]=4 1676 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,2,0,0,0,0|1,0,1]=4 1677 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,2,0,0,0,0|1,0,1]=4 1678 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,2,0,0,0,0|2,0,0]=4 1679 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,2,0,0,0,0|2,0,0]=4 1680 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,2,0,0,0,0|2,0,0]=4 1681 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,2,0,0,0,0|2,0,0]=4 1682 B8R0.5 CN(C)CC(=O)NCO 2230a_100102631434_100000185155 [0,2,0,0,0,0|2,0,0]=4 1683 B8R0.5 CN(C)CC(=O)NCO 269982a_100102631434_100000185155 [0,2,0,0,0,0|2,0,0]=4 1684 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,2,0,0,0,0|1,0,1]=4 1685 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,2,0,0,0,0|1,0,0]=3 1686 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,2,0,0,0,0|1,0,0]=3 1687 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,2,0,0,0,0|1,0,0]=3 1688 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,2,0,0,0,0|1,0,0]=3 1689 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,2,0,0,0,0|2,0,0]=4 1690 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,2,0,0,0,0|2,0,0]=4 1691 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,2,0,0,0,0|2,0,0]=4 1692 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [0,2,0,0,0,0|2,0,0]=4 1693 B8R0.5 CNNC(=O)C=C(C)Cl 22a_100016993582_200042562850 [0,2,0,0,0,0|2,0,0]=4 1694 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,2,0,0,0,0|2,0,0]=4 1695 B8R0.5 CNNC(=O)CN(C)C 22a_100016993582_100000750896 [0,2,0,0,0,0|2,0,0]=4 1696 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [0,2,0,0,0,0|2,0,0]=4 1697 B8R0.5 CNNC(=O)C[S+](C)C 22a_100016993582_200159257847 [0,2,0,0,0,0|1,1,0]=4 1698 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [0,2,0,0,0,0|1,0,0]=3 1699 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [0,2,0,0,0,0|1,0,0]=3 1700 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [0,2,0,0,0,0|1,0,0]=3 1701 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,2,0,0,0,0|1,0,0]=3 1702 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,2,0,0,0,0|1,0,0]=3 1703 B8R0.5 COCC(=O)CC(F)F 1458a_100000210968_100011934356 [0,2,0,0,0,0|2,0,0]=4 1704 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,2,0,0,0,0|0,0,0]=2 1705 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,2,0,0,0,0|0,0,0]=2 1706 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,2,0,0,0,0|0,0,0]=2 1707 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,2,0,0,0,0|0,0,0]=2 1708 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,2,0,0,0,0|0,0,0]=2 1709 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,2,0,0,0,0|1,0,0]=3 1710 B8R0.5 COCC(C)NC(C)C 2230a_100138425928_100000765312 [0,2,0,0,0,0|1,0,1]=4 1711 B8R0.5 COCC(C)NC(C)C 34a_100138425928_100000765312 [0,2,0,0,0,0|1,0,1]=4 1712 B8R0.5 COC[C@@H](C)NC(C)C 2230a_100000764878_100000210206 [0,2,0,0,0,0|1,0,1]=4 1713 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,2,0,0,0,0|1,1,0]=4 1714 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,2,0,0,0,0|1,1,0]=4 1715 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,2,0,0,0,0|0,1,1]=4 1716 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,2,0,0,0,0|0,1,0]=3 1717 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,2,0,0,0,0|0,1,0]=3 1718 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,2,0,0,0,0|0,1,0]=3 1719 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,2,0,0,0,0|0,1,0]=3 1720 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,2,0,0,0,0|0,1,0]=3 1721 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,2,0,0,0,0|0,1,0]=3 1722 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,2,0,0,0,0|1,1,0]=4 1723 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,2,0,0,0,0|1,1,0]=4 1724 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,2,0,0,0,0|2,0,0]=4 1725 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,2,0,0,0,0|2,0,0]=4 1726 B8R0.19 C#CC(C)NC(=O)C=C 1626a_100000707721_100000185746 [0,2,0,0,0,0|1,0,1]=4 1727 B8R0.19 C#CC(C)NC(=O)C=C 240690a_100000707721_200121576911 [0,2,0,0,0,0|1,0,1]=4 1728 B8R0.19 C#CC(C)NC(=O)CC 11a_100000707721_100000210414 [0,2,0,0,0,0|1,0,0]=3 1729 B8R0.19 C#CC(C)NC(=O)CC 1626a_100000707721_100000210414 [0,2,0,0,0,0|1,0,0]=3 1730 B8R0.19 C#CC(C)NC(=O)CC 240690a_100000707721_100000210414 [0,2,0,0,0,0|1,0,0]=3 1731 B8R0.19 C#CC(C)NC(=O)CC 527a_100000707721_100000210414 [0,2,0,0,0,0|1,0,0]=3 1732 B8R0.19 C#CC(C)NC(=O)CO 240690a_100000707721_100000210174 [0,2,0,0,0,0|2,0,0]=4 1733 B8R0.19 C#CC(C)NC(=O)CO 527a_100000707721_100000210174 [0,2,0,0,0,0|2,0,0]=4 1734 B8R0.19 C#CC(C)NC(=O)NC 2708a_100000707721_106832991635 [0,2,0,0,0,0|1,0,0]=3 1735 B8R0.19 C#CC(C)NC(=O)NC 2708a_100102657272_100000707721 [0,2,0,0,0,0|1,0,0]=3 1736 B8R0.19 C#CC(C)NC(=O)NC 273464a_100000707721_100102657272 [0,2,0,0,0,0|1,0,0]=3 1737 B8R0.19 C#CC(C)NC(=O)NC 273464a_100102657272_100000707721 [0,2,0,0,0,0|1,0,0]=3 1738 B8R0.19 C#CC(C)NC(=O)NC 512a_100000707721_100102657272 [0,2,0,0,0,0|1,0,0]=3 1739 B8R0.19 C#CC(C)NC(=O)NC 512a_106832991638_100000707721 [0,2,0,0,0,0|1,0,0]=3 1740 B8R0.19 C=CC(=O)NC(C)C#N 1626a_100000737613_100000185746 [0,2,0,0,0,0|1,0,1]=4 1741 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,2,0,0,0,0|1,0,1]=4 1742 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,2,0,0,0,0|1,0,1]=4 1743 B8R0.19 C=CC(=O)N[C@H](C)CF 1626a_100102880703_100000185746 [0,2,0,0,0,0|1,0,1]=4 1744 B8R0.19 C=CC(=O)N[C@H](C)CF 240690a_100102880703_200121576911 [0,2,0,0,0,0|1,0,1]=4 1745 B8R0.19 C=CC(=O)N[C@H](C)CO 240690a_100000737577_200121576911 [0,2,0,0,0,0|1,0,1]=4 1746 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,2,0,0,0,0|2,0,0]=4 1747 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,2,0,0,0,0|2,0,0]=4 1748 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,2,0,0,0,0|2,0,0]=4 1749 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,2,0,0,0,0|2,0,0]=4 1750 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,2,0,0,0,0|2,0,0]=4 1751 B8R0.19 CC(C#N)NC(=O)CO 527a_100000737613_100000210174 [0,2,0,0,0,0|2,0,0]=4 1752 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,2,0,0,0,0|2,0,0]=4 1753 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,2,0,0,0,0|2,0,0]=4 1754 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,2,0,0,0,0|2,0,0]=4 1755 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,2,0,0,0,0|2,0,0]=4 1756 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,2,0,0,0,0|2,0,0]=4 1757 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,2,0,0,0,0|2,0,0]=4 1758 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,2,0,0,0,0|1,0,0]=3 1759 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,2,0,0,0,0|1,0,0]=3 1760 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,2,0,0,0,0|2,0,0]=4 1761 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,2,0,0,0,0|2,0,0]=4 1762 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,2,0,0,0,0|2,0,0]=4 1763 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,2,0,0,0,0|2,0,0]=4 1764 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,2,0,0,0,0|1,0,0]=3 1765 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,2,0,0,0,0|1,0,0]=3 1766 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,2,0,0,0,0|2,0,0]=4 1767 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,2,0,0,0,0|2,0,0]=4 1768 B8R0.19 CCC(=O)NC(C)C#N 11a_100000737613_100000210414 [0,2,0,0,0,0|1,0,0]=3 1769 B8R0.19 CCC(=O)NC(C)C#N 1626a_100000737613_100000210414 [0,2,0,0,0,0|1,0,0]=3 1770 B8R0.19 CCC(=O)NC(C)C#N 527a_100000737613_100000210414 [0,2,0,0,0,0|1,0,0]=3 1771 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,2,0,0,0,0|1,0,0]=3 1772 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,2,0,0,0,0|1,0,0]=3 1773 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,2,0,0,0,0|1,0,0]=3 1774 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,2,0,0,0,0|1,0,0]=3 1775 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,2,0,0,0,0|1,0,0]=3 1776 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,2,0,0,0,0|1,0,0]=3 1777 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,2,0,0,0,0|1,0,0]=3 1778 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,2,0,0,0,0|1,0,0]=3 1779 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,2,0,0,0,0|1,0,0]=3 1780 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,2,0,0,0,0|1,0,0]=3 1781 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,2,0,0,0,0|2,0,0]=4 1782 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,2,0,0,0,0|2,0,0]=4 1783 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,2,0,0,0,0|2,0,0]=4 1784 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,2,0,0,0,0|2,0,0]=4 1785 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,2,0,0,0,0|2,0,0]=4 1786 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,2,0,0,0,0|2,0,0]=4 1787 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,2,0,0,0,0|1,0,0]=3 1788 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,2,0,0,0,0|1,0,0]=3 1789 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,2,0,0,0,0|1,0,0]=3 1790 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,2,0,0,0,0|1,0,0]=3 1791 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,2,0,0,0,0|1,0,0]=3 1792 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,2,0,0,0,0|1,0,0]=3 1793 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,2,0,0,0,0|2,0,0]=4 1794 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,2,0,0,0,0|2,0,0]=4 1795 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,2,0,0,0,0|2,0,0]=4 1796 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,2,0,0,0,0|1,0,0]=3 1797 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,2,0,0,0,0|1,0,0]=3 1798 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,2,0,0,0,0|1,0,0]=3 1799 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,2,0,0,0,0|1,0,0]=3 1800 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,2,0,0,0,0|1,0,0]=3 1801 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,2,0,0,0,0|0,0,0]=2 1802 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,2,0,0,0,0|0,0,0]=2 1803 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,2,0,0,0,0|0,0,0]=2 1804 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,2,0,0,0,0|1,0,1]=4 1805 B8R0.19 CNC(=O)NC(C)C#N 2708a_100000737613_106832991635 [0,2,0,0,0,0|1,0,0]=3 1806 B8R0.19 CNC(=O)NC(C)C#N 2708a_100102657272_100000737613 [0,2,0,0,0,0|1,0,0]=3 1807 B8R0.19 CNC(=O)NC(C)C#N 273464a_100000737613_100102657272 [0,2,0,0,0,0|1,0,0]=3 1808 B8R0.19 CNC(=O)NC(C)C#N 273464a_100102657272_100000737613 [0,2,0,0,0,0|1,0,0]=3 1809 B8R0.19 CNC(=O)NC(C)C#N 512a_100000737613_100102657272 [0,2,0,0,0,0|1,0,0]=3 1810 B8R0.19 CNC(=O)NC(C)C#N 512a_106832991638_100000737613 [0,2,0,0,0,0|1,0,0]=3 1811 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,2,0,0,0,0|1,0,0]=3 1812 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,2,0,0,0,0|1,0,0]=3 1813 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,2,0,0,0,0|1,0,0]=3 1814 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,2,0,0,0,0|1,0,0]=3 1815 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,2,0,0,0,0|1,0,0]=3 1816 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,2,0,0,0,0|1,0,0]=3 1817 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,2,0,0,0,0|1,0,0]=3 1818 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,2,0,0,0,0|1,0,0]=3 1819 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,2,0,0,0,0|1,0,0]=3 1820 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,2,0,0,0,0|1,0,0]=3 1821 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,2,0,0,0,0|1,0,0]=3 1822 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,2,0,0,0,0|1,0,0]=3 1823 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,2,0,0,0,0|1,0,1]=4 1824 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,2,0,0,0,0|1,0,1]=4 1825 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,2,0,0,0,0|1,0,0]=3 1826 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,2,0,0,0,0|1,0,0]=3 1827 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,2,0,0,0,0|1,0,0]=3 1828 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,2,0,0,0,0|1,0,0]=3 1829 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,2,0,0,0,0|1,0,0]=3 1830 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,2,0,0,0,0|2,0,0]=4 1831 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,2,0,0,0,0|2,0,0]=4 1832 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,2,0,0,0,0|2,0,0]=4 1833 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,2,0,0,0,0|2,0,0]=4 1834 B8R0.23 C=C(Br)C(=O)NC(C)C 11a_100138425928_100009813364 [0,2,0,0,0,0|1,0,1]=4 1835 B8R0.23 C=C(Br)C(=O)NC(C)C 1626a_100138425928_100009813364 [0,2,0,0,0,0|1,0,1]=4 1836 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,2,0,0,0,0|2,0,0]=4 1837 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,2,0,0,0,0|2,0,0]=4 1838 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,2,0,0,0,0|1,0,0]=3 1839 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,2,0,0,0,0|1,0,0]=3 1840 B8R0.23 C=C(Cl)C(=O)NC(C)C 11a_100138425928_100000039160 [0,2,0,0,0,0|1,0,1]=4 1841 B8R0.23 C=C(Cl)C(=O)NC(C)C 1626a_100138425928_100000039160 [0,2,0,0,0,0|1,0,1]=4 1842 B8R0.23 C=C(F)C(=O)NC(C)C 11a_100138425928_100000036797 [0,2,0,0,0,0|1,0,1]=4 1843 B8R0.23 C=C(F)C(=O)NC(C)C 1626a_100138425928_100000036797 [0,2,0,0,0,0|1,0,1]=4 1844 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,2,0,0,0,0|1,0,0]=3 1845 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,2,0,0,0,0|2,0,0]=4 1846 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,2,0,0,0,0|2,0,0]=4 1847 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,2,0,0,0,0|2,0,0]=4 1848 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,2,0,0,0,0|2,0,0]=4 1849 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,2,0,0,0,0|2,0,0]=4 1850 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,2,0,0,0,0|2,0,0]=4 1851 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,2,0,0,0,0|2,0,0]=4 1852 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,2,0,0,0,0|2,0,0]=4 1853 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,2,0,0,0,0|2,0,0]=4 1854 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,2,0,0,0,0|2,0,0]=4 1855 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,2,0,0,0,0|2,0,0]=4 1856 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,2,0,0,0,0|1,0,0]=3 1857 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [0,2,0,0,0,0|1,0,0]=3 1858 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [0,2,0,0,0,0|1,0,0]=3 1859 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [0,2,0,0,0,0|1,0,0]=3 1860 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [0,2,0,0,0,0|1,0,0]=3 1861 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [0,2,0,0,0,0|1,0,0]=3 1862 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [0,2,0,0,0,0|1,0,0]=3 1863 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [0,2,0,0,0,0|1,0,0]=3 1864 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [0,2,0,0,0,0|1,0,0]=3 1865 B8R0.23 CC(C)NC(=O)C(F)F 11a_100138425928_100000210393 [0,2,0,0,0,0|2,0,0]=4 1866 B8R0.23 CC(C)NC(=O)C(F)F 1626a_100138425928_100000210393 [0,2,0,0,0,0|2,0,0]=4 1867 B8R0.23 CC(C)NC(=O)C(F)F 240690a_100138425928_100000210393 [0,2,0,0,0,0|2,0,0]=4 1868 B8R0.23 CC(C)NC(=O)C(F)F 527a_100138425928_100000210393 [0,2,0,0,0,0|2,0,0]=4 1869 B8R0.23 CC(C)NC(=O)C(O)O 240690a_100138425928_100000233687 [0,2,0,0,0,0|2,0,0]=4 1870 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [0,2,0,0,0,0|1,0,0]=3 1871 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,2,0,0,0,0|1,0,0]=3 1872 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,2,0,0,0,0|1,0,0]=3 1873 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,2,0,0,0,0|1,0,0]=3 1874 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,2,0,0,0,0|2,0,0]=4 1875 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,2,0,0,0,0|2,0,0]=4 1876 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,2,0,0,0,0|2,0,0]=4 1877 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,2,0,0,0,0|2,0,0]=4 1878 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [0,2,0,0,0,0|2,0,0]=4 1879 B8R0.24 C=CC(=O)NC(C)(C)C 1626a_100000715429_100000185746 [0,2,0,0,0,0|1,0,1]=4 1880 B8R0.24 C=CC(=O)NC(C)(C)C 240690a_100000715429_200121576911 [0,2,0,0,0,0|1,0,1]=4 1881 B8R0.24 CC(C)(C)NC(=O)CO 240690a_100000715429_100000210174 [0,2,0,0,0,0|2,0,0]=4 1882 B8R0.24 CC(C)(C)NC(=O)CO 527a_100000715429_100000210174 [0,2,0,0,0,0|2,0,0]=4 1883 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [0,2,0,0,0,0|2,0,0]=4 1884 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [0,2,0,0,0,0|2,0,0]=4 1885 B8R0.24 CCC(=O)NC(C)(C)C 11a_100000715429_100000210414 [0,2,0,0,0,0|1,0,0]=3 1886 B8R0.24 CCC(=O)NC(C)(C)C 1626a_100000715429_100000210414 [0,2,0,0,0,0|1,0,0]=3 1887 B8R0.24 CCC(=O)NC(C)(C)C 240690a_100000715429_100000210414 [0,2,0,0,0,0|1,0,0]=3 1888 B8R0.24 CCC(=O)NC(C)(C)C 527a_100000715429_100000210414 [0,2,0,0,0,0|1,0,0]=3 1889 B8R0.24 CCC(=O)NS(=O)(=O)C 2740a_100000171171_100000210414 [0,2,0,0,0,0|2,0,0]=4 1890 B8R0.24 CNC(=O)CC(C)(C)C 11a_106832991635_100000211214 [0,2,0,0,0,0|2,0,0]=4 1891 B8R0.24 CNC(=O)CC(C)(C)C 1626a_100102657272_100000211214 [0,2,0,0,0,0|2,0,0]=4 1892 B8R0.24 CNC(=O)CC(C)(C)C 240690a_100102657272_100000211214 [0,2,0,0,0,0|2,0,0]=4 1893 B8R0.24 CNC(=O)CC(C)(C)C 527a_100102657272_100000211214 [0,2,0,0,0,0|2,0,0]=4 1894 B8R0.24 CNC(=O)CC(C)(C)O 527a_100102657272_100000693243 [0,2,0,0,0,0|2,0,0]=4 1895 B8R0.24 CNC(=O)NC(C)(C)C 2708a_100102657272_100000715429 [0,2,0,0,0,0|1,0,0]=3 1896 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100000715429_100102657272 [0,2,0,0,0,0|1,0,0]=3 1897 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100102657272_100000715429 [0,2,0,0,0,0|1,0,0]=3 1898 B8R0.24 CNC(=O)NC(C)(C)C 512a_100000715429_100102657272 [0,2,0,0,0,0|1,0,0]=3 1899 B8R0.34 CCS(=O)(=O)NC(C)C 270084a_100138425928_100000211323 [0,2,0,0,0,0|2,0,0]=4 1900 B8R0.34 CCS(=O)(=O)NC(C)C 274078a_100138425928_100000211323 [0,2,0,0,0,0|2,0,0]=4 1901 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [0,2,0,0,0,0|1,0,1]=4 1902 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [0,2,0,0,0,0|1,0,1]=4 1903 B8R0.1 C#CCC(=O)NCCF 1626a_100000724931_100011220946 [0,2,0,0,0,0|1,0,1]=4 1904 B8R0.1 C#CCC(=O)NCCF 527a_100000724931_100011220946 [0,2,0,0,0,0|1,0,1]=4 1905 B8R0.1 C#CCC(=O)NCCO 527a_100000210304_100011220946 [0,2,0,0,0,0|1,0,1]=4 1906 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,2,0,0,0,0|2,0,0]=4 1907 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,2,0,0,0,0|2,0,0]=4 1908 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,2,0,0,0,0|1,0,1]=4 1909 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,2,0,0,0,0|1,0,0]=3 1910 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,2,0,0,0,0|1,0,0]=3 1911 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,2,0,0,0,0|1,0,0]=3 1912 B8R0.1 C#CCCC(=O)NNC 22a_100016993582_100000692101 [0,2,0,0,0,0|2,0,0]=4 1913 B8R0.1 C#CCNC(=O)C=CC 11a_100000212058_100000210699 [0,2,0,0,0,0|1,0,1]=4 1914 B8R0.1 C#CCNC(=O)C=CC 1626a_100000212058_100000210699 [0,2,0,0,0,0|1,0,1]=4 1915 B8R0.1 C#CCNC(=O)C=CC 240690a_100000212058_100000210699 [0,2,0,0,0,0|1,0,1]=4 1916 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [0,2,0,0,0,0|1,0,1]=4 1917 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [0,2,0,0,0,0|1,0,1]=4 1918 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [0,2,0,0,0,0|1,0,1]=4 1919 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [0,2,0,0,0,0|1,0,1]=4 1920 B8R0.1 C#CCNC(=O)CCO 240690a_100000212058_100011216618 [0,2,0,0,0,0|1,0,1]=4 1921 B8R0.1 C#CCNC(=O)CNC 2230a_100000747989_200000210301 [0,2,0,0,0,0|1,0,1]=4 1922 B8R0.1 C#CCNC(=O)CNC 34a_100000747989_200000210301 [0,2,0,0,0,0|1,0,1]=4 1923 B8R0.1 C#CCNC(=O)CN[13CH3] 2230a_100000747989_200025704644 [0,2,0,0,0,0|1,0,1]=4 1924 B8R0.1 C#CCNC(=O)CN[13CH3] 34a_100000747989_200025704644 [0,2,0,0,0,0|1,0,1]=4 1925 B8R0.1 C#CCNC(=O)COC 11a_100000212058_100000210968 [0,2,0,0,0,0|0,0,1]=3 1926 B8R0.1 C#CCNC(=O)COC 1626a_100000212058_100000210968 [0,2,0,0,0,0|0,0,1]=3 1927 B8R0.1 C#CCNC(=O)COC 240690a_100000212058_100000210968 [0,2,0,0,0,0|0,0,1]=3 1928 B8R0.1 C#CCNC(=O)COC 527a_100000212058_100000210968 [0,2,0,0,0,0|0,0,1]=3 1929 B8R0.1 C#CCNC(=O)CSC 11a_100000212058_100000184570 [0,2,0,0,0,0|0,1,1]=4 1930 B8R0.1 C#CCNC(=O)CSC 1626a_100000212058_100000184570 [0,2,0,0,0,0|0,1,1]=4 1931 B8R0.1 C#CCNC(=O)CSC 240690a_100000212058_100000184570 [0,2,0,0,0,0|0,1,1]=4 1932 B8R0.1 C#CCNC(=O)CSC 527a_100000212058_100000184570 [0,2,0,0,0,0|0,1,1]=4 1933 B8R0.1 C#CCNC(=O)NCC 2708a_100000212058_100015525214 [0,2,0,0,0,0|1,0,0]=3 1934 B8R0.1 C#CCNC(=O)NCC 2708a_100015525214_100000212058 [0,2,0,0,0,0|1,0,0]=3 1935 B8R0.1 C#CCNC(=O)NCC 273464a_100000212058_100015525214 [0,2,0,0,0,0|1,0,0]=3 1936 B8R0.1 C#CCNC(=O)NCC 273464a_100015525214_100000212058 [0,2,0,0,0,0|1,0,0]=3 1937 B8R0.1 C#CCNC(=O)NCC 512a_100000212058_100015525214 [0,2,0,0,0,0|1,0,0]=3 1938 B8R0.1 C#CCNC(=O)NCC 512a_100015525214_100000212058 [0,2,0,0,0,0|1,0,0]=3 1939 B8R0.1 C#CCNC(=O)NNC 273464a_100000212058_100016993582 [0,2,0,0,0,0|1,0,1]=4 1940 B8R0.1 C#CCNC(=O)NNC 512a_100000212058_100016993582 [0,2,0,0,0,0|1,0,1]=4 1941 B8R0.1 C#CCNC(=O)NNC 512a_100016993582_100000212058 [0,2,0,0,0,0|1,0,1]=4 1942 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,2,0,0,0,0|2,0,0]=4 1943 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,2,0,0,0,0|1,0,1]=4 1944 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [0,2,0,0,0,0|2,0,0]=4 1945 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,2,0,0,0,0|1,0,1]=4 1946 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,2,0,0,0,0|1,0,1]=4 1947 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,2,0,0,0,0|1,0,1]=4 1948 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,2,0,0,0,0|1,0,1]=4 1949 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [0,2,0,0,0,0|1,0,1]=4 1950 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [0,2,0,0,0,0|1,0,1]=4 1951 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [0,2,0,0,0,0|1,0,1]=4 1952 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [0,2,0,0,0,0|1,0,1]=4 1953 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [0,2,0,0,0,0|1,0,1]=4 1954 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [0,2,0,0,0,0|1,0,1]=4 1955 B8R0.1 C=CCC(=O)NNCC 22a_100000756455_100000210193 [0,2,0,0,0,0|1,0,1]=4 1956 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,2,0,0,0,0|2,0,0]=4 1957 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,2,0,0,0,0|2,0,0]=4 1958 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,2,0,0,0,0|1,0,1]=4 1959 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,2,0,0,0,0|1,0,0]=3 1960 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,2,0,0,0,0|1,0,0]=3 1961 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,2,0,0,0,0|1,0,0]=3 1962 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [0,2,0,0,0,0|2,0,0]=4 1963 B8R0.1 C=CCNC(=O)C=CC 1626a_100020586998_100000210699 [0,2,0,0,0,0|1,0,1]=4 1964 B8R0.1 C=CCNC(=O)C=CC 240690a_100020586998_100000210699 [0,2,0,0,0,0|1,0,1]=4 1965 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,2,0,0,0,0|1,0,1]=4 1966 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,2,0,0,0,0|1,0,1]=4 1967 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,2,0,0,0,0|1,0,1]=4 1968 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,2,0,0,0,0|1,0,1]=4 1969 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [0,2,0,0,0,0|1,0,1]=4 1970 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [0,2,0,0,0,0|1,0,1]=4 1971 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [0,2,0,0,0,0|0,0,1]=3 1972 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [0,2,0,0,0,0|0,0,1]=3 1973 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [0,2,0,0,0,0|0,0,1]=3 1974 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [0,2,0,0,0,0|0,1,1]=4 1975 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [0,2,0,0,0,0|0,1,1]=4 1976 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [0,2,0,0,0,0|0,1,1]=4 1977 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [0,2,0,0,0,0|0,1,1]=4 1978 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [0,2,0,0,0,0|0,1,1]=4 1979 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [0,2,0,0,0,0|0,1,1]=4 1980 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [0,2,0,0,0,0|0,1,1]=4 1981 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,2,0,0,0,0|1,0,0]=3 1982 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,2,0,0,0,0|1,0,0]=3 1983 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,2,0,0,0,0|1,0,0]=3 1984 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,2,0,0,0,0|1,0,0]=3 1985 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,2,0,0,0,0|1,0,0]=3 1986 B8R0.1 C=CCNC(=O)NNC 273464a_100020586998_100016993582 [0,2,0,0,0,0|1,0,1]=4 1987 B8R0.1 C=CCNC(=O)NNC 512a_100016993582_100020586998 [0,2,0,0,0,0|1,0,1]=4 1988 B8R0.1 C=CCNC(=O)NNC 512a_100020586998_100016993582 [0,2,0,0,0,0|1,0,1]=4 1989 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,2,0,0,0,0|2,0,0]=4 1990 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,2,0,0,0,0|2,0,0]=4 1991 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,2,0,0,0,0|2,0,0]=4 1992 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,2,0,0,0,0|1,0,1]=4 1993 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,2,0,0,0,0|2,0,0]=4 1994 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,2,0,0,0,0|2,0,0]=4 1995 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,2,0,0,0,0|2,0,0]=4 1996 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,2,0,0,0,0|2,0,0]=4 1997 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,2,0,0,0,0|0,0,1]=3 1998 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,2,0,0,0,0|1,0,1]=4 1999 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,2,0,0,0,0|1,0,1]=4 2000 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,2,0,0,0,0|1,0,1]=4 2001 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,2,0,0,0,0|2,0,0]=4 2002 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,2,0,0,0,0|2,0,0]=4 2003 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,2,0,0,0,0|2,0,0]=4 2004 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,2,0,0,0,0|1,0,1]=4 2005 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,2,0,0,0,0|2,0,0]=4 2006 B8R0.1 CC#CC(=O)NNCC 22a_100000756455_100000763181 [0,2,0,0,0,0|1,0,0]=3 2007 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,2,0,0,0,0|2,0,0]=4 2008 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [0,2,0,0,0,0|1,0,1]=4 2009 B8R0.1 CC=CC(=NNCC)C 4a_100000756455_100011218416 [0,2,0,0,0,0|2,0,0]=4 2010 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,2,0,0,0,0|2,0,0]=4 2011 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,2,0,0,0,0|2,0,0]=4 2012 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,2,0,0,0,0|2,0,0]=4 2013 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,2,0,0,0,0|1,0,1]=4 2014 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,2,0,0,0,0|2,0,0]=4 2015 B8R0.1 CC=CC(=O)NCC#N 1626a_100000734998_100000210699 [0,2,0,0,0,0|1,0,1]=4 2016 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,2,0,0,0,0|1,0,0]=3 2017 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,2,0,0,0,0|1,0,0]=3 2018 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,2,0,0,0,0|1,0,0]=3 2019 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [0,2,0,0,0,0|1,0,0]=3 2020 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [0,2,0,0,0,0|1,0,0]=3 2021 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [0,2,0,0,0,0|1,0,0]=3 2022 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,2,0,0,0,0|1,0,0]=3 2023 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [0,2,0,0,0,0|1,0,0]=3 2024 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,2,0,0,0,0|2,0,0]=4 2025 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,2,0,0,0,0|2,0,0]=4 2026 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,2,0,0,0,0|1,0,1]=4 2027 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,2,0,0,0,0|1,0,0]=3 2028 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,2,0,0,0,0|1,0,0]=3 2029 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,2,0,0,0,0|1,0,0]=3 2030 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,2,0,0,0,0|2,0,0]=4 2031 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,2,0,0,0,0|1,0,1]=4 2032 B8R0.1 CC=NNC(=O)COC 4a_100000216845_200000210099 [0,2,0,0,0,0|0,0,1]=3 2033 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,2,0,0,0,0|2,0,0]=4 2034 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [0,2,0,0,0,0|2,0,0]=4 2035 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,2,0,0,0,0|2,0,0]=4 2036 B8R0.1 CCC#CC(=O)NNC 22a_100016993582_100011827653 [0,2,0,0,0,0|2,0,0]=4 2037 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,2,0,0,0,0|2,0,0]=4 2038 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,2,0,0,0,0|2,0,0]=4 2039 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,2,0,0,0,0|2,0,0]=4 2040 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,2,0,0,0,0|1,0,0]=3 2041 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,2,0,0,0,0|1,0,0]=3 2042 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,2,0,0,0,0|2,0,0]=4 2043 B8R0.1 CCCC(=NNCC)C 4a_100000756455_100000211909 [0,2,0,0,0,0|2,0,0]=4 2044 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [0,2,0,0,0,0|2,0,0]=4 2045 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,2,0,0,0,0|1,0,0]=3 2046 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,2,0,0,0,0|2,0,0]=4 2047 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,2,0,0,0,0|2,0,0]=4 2048 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,2,0,0,0,0|2,0,0]=4 2049 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,2,0,0,0,0|2,0,0]=4 2050 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,2,0,0,0,0|1,0,0]=3 2051 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,2,0,0,0,0|1,0,0]=3 2052 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,2,0,0,0,0|1,1,0]=4 2053 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,2,0,0,0,0|1,1,0]=4 2054 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,2,0,0,0,0|1,0,0]=3 2055 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,2,0,0,0,0|1,0,0]=3 2056 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,2,0,0,0,0|1,1,0]=4 2057 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,2,0,0,0,0|1,1,0]=4 2058 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,2,0,0,0,0|1,1,0]=4 2059 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,2,0,0,0,0|1,1,0]=4 2060 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,2,0,0,0,0|1,1,0]=4 2061 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [0,2,0,0,0,0|1,0,1]=4 2062 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [0,2,0,0,0,0|1,0,1]=4 2063 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,2,0,0,0,0|1,0,0]=3 2064 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,2,0,0,0,0|1,0,0]=3 2065 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,2,0,0,0,0|1,0,0]=3 2066 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,2,0,0,0,0|1,0,0]=3 2067 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,2,0,0,0,0|1,0,0]=3 2068 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,2,0,0,0,0|1,0,0]=3 2069 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,2,0,0,0,0|1,0,0]=3 2070 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,2,0,0,0,0|1,0,0]=3 2071 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,2,0,0,0,0|1,0,0]=3 2072 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,2,0,0,0,0|1,0,0]=3 2073 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,2,0,0,0,0|1,0,0]=3 2074 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,2,0,0,0,0|1,0,0]=3 2075 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,2,0,0,0,0|2,0,0]=4 2076 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,2,0,0,0,0|2,0,0]=4 2077 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,2,0,0,0,0|2,0,0]=4 2078 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,2,0,0,0,0|2,0,0]=4 2079 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,2,0,0,0,0|2,0,0]=4 2080 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,2,0,0,0,0|1,0,0]=3 2081 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,2,0,0,0,0|1,1,0]=4 2082 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,2,0,0,0,0|1,0,0]=3 2083 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,2,0,0,0,0|1,0,0]=3 2084 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,2,0,0,0,0|1,0,0]=3 2085 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,2,0,0,0,0|2,0,0]=4 2086 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,2,0,0,0,0|1,0,1]=4 2087 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,2,0,0,0,0|1,0,1]=4 2088 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,2,0,0,0,0|1,0,1]=4 2089 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,2,0,0,0,0|1,0,1]=4 2090 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,2,0,0,0,0|1,0,1]=4 2091 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,2,0,0,0,0|1,0,1]=4 2092 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [0,2,0,0,0,0|1,0,1]=4 2093 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [0,2,0,0,0,0|1,0,1]=4 2094 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,2,0,0,0,0|1,0,0]=3 2095 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,2,0,0,0,0|1,0,0]=3 2096 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,2,0,0,0,0|1,0,0]=3 2097 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,2,0,0,0,0|1,0,0]=3 2098 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,2,0,0,0,0|1,0,0]=3 2099 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,2,0,0,0,0|1,0,0]=3 2100 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,2,0,0,0,0|1,0,0]=3 2101 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,2,0,0,0,0|1,0,0]=3 2102 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,2,0,0,0,0|1,0,0]=3 2103 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,2,0,0,0,0|1,0,0]=3 2104 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,2,0,0,0,0|0,0,0]=2 2105 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,2,0,0,0,0|0,0,0]=2 2106 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,2,0,0,0,0|0,0,0]=2 2107 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,2,0,0,0,0|0,0,0]=2 2108 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,2,0,0,0,0|0,0,0]=2 2109 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,2,0,0,0,0|0,1,0]=3 2110 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,2,0,0,0,0|0,1,0]=3 2111 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,2,0,0,0,0|0,1,0]=3 2112 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,2,0,0,0,0|0,1,0]=3 2113 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,2,0,0,0,0|0,1,0]=3 2114 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,2,0,0,0,0|0,1,0]=3 2115 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,2,0,0,0,0|0,1,0]=3 2116 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,2,0,0,0,0|0,1,0]=3 2117 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,2,0,0,0,0|1,0,0]=3 2118 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,2,0,0,0,0|1,0,0]=3 2119 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,2,0,0,0,0|1,0,0]=3 2120 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,2,0,0,0,0|1,0,0]=3 2121 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,2,0,0,0,0|1,0,0]=3 2122 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,2,0,0,0,0|1,0,0]=3 2123 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,2,0,0,0,0|1,0,0]=3 2124 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,2,0,0,0,0|1,0,0]=3 2125 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,2,0,0,0,0|1,0,0]=3 2126 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [0,2,0,0,0,0|1,0,1]=4 2127 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [0,2,0,0,0,0|1,0,1]=4 2128 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,2,0,0,0,0|2,0,0]=4 2129 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,2,0,0,0,0|2,0,0]=4 2130 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,2,0,0,0,0|2,0,0]=4 2131 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,2,0,0,0,0|1,0,0]=3 2132 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,2,0,0,0,0|1,1,0]=4 2133 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,2,0,0,0,0|1,1,0]=4 2134 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,2,0,0,0,0|1,1,0]=4 2135 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,2,0,0,0,0|1,1,0]=4 2136 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,2,0,0,0,0|0,0,0]=2 2137 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,2,0,0,0,0|1,0,0]=3 2138 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,2,0,0,0,0|1,0,0]=3 2139 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,2,0,0,0,0|1,0,0]=3 2140 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,2,0,0,0,0|1,0,0]=3 2141 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,2,0,0,0,0|1,0,0]=3 2142 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,2,0,0,0,0|1,0,0]=3 2143 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,2,0,0,0,0|1,0,0]=3 2144 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,2,0,0,0,0|0,0,0]=2 2145 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,2,0,0,0,0|0,0,0]=2 2146 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,2,0,0,0,0|0,0,0]=2 2147 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,2,0,0,0,0|0,1,0]=3 2148 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,2,0,0,0,0|0,1,0]=3 2149 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,2,0,0,0,0|0,1,0]=3 2150 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,2,0,0,0,0|0,1,0]=3 2151 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,2,0,0,0,0|0,1,0]=3 2152 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,2,0,0,0,0|0,1,0]=3 2153 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,2,0,0,0,0|0,1,0]=3 2154 B8R0.1 CCNC(=O)CN=[N+]=[N-] 11a_100015525214_100000751907 [0,2,0,0,0,0|2,0,0]=4 2155 B8R0.1 CCNC(=O)CN=[N+]=[N-] 240690a_100015525214_100000751907 [0,2,0,0,0,0|2,0,0]=4 2156 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,2,0,0,0,0|0,0,0]=2 2157 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,2,0,0,0,0|0,0,0]=2 2158 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,2,0,0,0,0|0,0,0]=2 2159 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,2,0,0,0,0|0,0,0]=2 2160 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,2,0,0,0,0|0,1,0]=3 2161 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,2,0,0,0,0|0,1,0]=3 2162 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,2,0,0,0,0|0,1,0]=3 2163 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,2,0,0,0,0|0,1,0]=3 2164 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,2,0,0,0,0|0,1,0]=3 2165 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,2,0,0,0,0|0,1,0]=3 2166 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,2,0,0,0,0|0,1,0]=3 2167 B8R0.1 CCNC(=O)NCC#N 2708a_100000734998_100015525214 [0,2,0,0,0,0|1,0,0]=3 2168 B8R0.1 CCNC(=O)NCC#N 273464a_100000734998_100015525214 [0,2,0,0,0,0|1,0,0]=3 2169 B8R0.1 CCNC(=O)NCC#N 273464a_100015525214_100000734998 [0,2,0,0,0,0|1,0,0]=3 2170 B8R0.1 CCNC(=O)NCC#N 512a_100000734998_100015525214 [0,2,0,0,0,0|1,0,0]=3 2171 B8R0.1 CCNC(=O)NCC#N 512a_100015525214_100000734998 [0,2,0,0,0,0|1,0,0]=3 2172 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,2,0,0,0,0|1,0,0]=3 2173 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,2,0,0,0,0|1,0,0]=3 2174 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,2,0,0,0,0|1,0,0]=3 2175 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,2,0,0,0,0|1,0,0]=3 2176 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,2,0,0,0,0|1,0,0]=3 2177 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,2,0,0,0,0|1,0,0]=3 2178 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,2,0,0,0,0|1,0,0]=3 2179 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,2,0,0,0,0|1,0,0]=3 2180 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [0,2,0,0,0,0|1,0,1]=4 2181 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,2,0,0,0,0|1,0,0]=3 2182 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,2,0,0,0,0|1,0,0]=3 2183 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,2,0,0,0,0|1,0,0]=3 2184 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,2,0,0,0,0|0,0,0]=2 2185 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [0,2,0,0,0,0|0,0,2]=4 2186 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [0,2,0,0,0,0|0,0,2]=4 2187 B8R0.1 CCNN=C(C)COC 4a_100000756455_100000749346 [0,2,0,0,0,0|1,0,0]=3 2188 B8R0.1 CCNN=C(C)CSC 4a_100000756455_100011216314 [0,2,0,0,0,0|1,1,0]=4 2189 B8R0.1 CCNNC(=O)CC#N 22a_100000756455_100051588842 [0,2,0,0,0,0|1,0,1]=4 2190 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,2,0,0,0,0|1,0,0]=3 2191 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,2,0,0,0,0|0,0,0]=2 2192 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [0,2,0,0,0,0|0,1,0]=3 2193 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,2,0,0,0,0|1,0,0]=3 2194 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,2,0,0,0,0|1,0,0]=3 2195 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,2,0,0,0,0|1,0,0]=3 2196 B8R0.1 CCNNC(=O)NNC 512a_100000756455_100016993582 [0,2,0,0,0,0|1,0,0]=3 2197 B8R0.1 CCNNC(=O)NNC 512a_100016993582_100000756455 [0,2,0,0,0,0|1,0,0]=3 2198 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,2,0,0,0,0|1,0,0]=3 2199 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,2,0,0,0,0|1,0,0]=3 2200 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,2,0,0,0,0|1,0,0]=3 2201 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,2,0,0,0,0|1,0,0]=3 2202 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,2,0,0,0,0|1,0,0]=3 2203 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,2,0,0,0,0|1,0,0]=3 2204 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,2,0,0,0,0|1,0,0]=3 2205 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,2,0,0,0,0|1,0,0]=3 2206 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,2,0,0,0,0|1,0,0]=3 2207 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,2,0,0,0,0|1,0,0]=3 2208 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,2,0,0,0,0|1,1,0]=4 2209 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,2,0,0,0,0|1,1,0]=4 2210 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,2,0,0,0,0|1,0,0]=3 2211 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,2,0,0,0,0|1,0,0]=3 2212 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,2,0,0,0,0|2,0,0]=4 2213 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,2,0,0,0,0|2,0,0]=4 2214 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,2,0,0,0,0|1,0,0]=3 2215 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,2,0,0,0,0|1,0,0]=3 2216 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,2,0,0,0,0|1,0,0]=3 2217 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,2,0,0,0,0|2,0,0]=4 2218 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,2,0,0,0,0|2,0,0]=4 2219 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,2,0,0,0,0|1,1,0]=4 2220 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,2,0,0,0,0|1,1,0]=4 2221 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,2,0,0,0,0|1,1,0]=4 2222 B8R0.1 CNCC(=O)NCC#N 2230a_106832991635_100000736037 [0,2,0,0,0,0|1,0,1]=4 2223 B8R0.1 CNCC(=O)NCC#N 7a_106832991635_100000736037 [0,2,0,0,0,0|1,0,1]=4 2224 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,2,0,0,0,0|1,0,0]=3 2225 B8R0.1 CNNC(=O)C=COC 22a_100016993582_100016268678 [0,2,0,0,0,0|1,0,0]=3 2226 B8R0.1 CNNC(=O)CCC#N 22a_100016993582_100011934036 [0,2,0,0,0,0|2,0,0]=4 2227 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,2,0,0,0,0|1,0,0]=3 2228 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,2,0,0,0,0|1,1,0]=4 2229 B8R0.1 CNNC(=O)NCC#N 273464a_100000734998_100016993582 [0,2,0,0,0,0|1,0,1]=4 2230 B8R0.1 CNNC(=O)NCC#N 512a_100000734998_100016993582 [0,2,0,0,0,0|1,0,1]=4 2231 B8R0.1 CNNC(=O)NCC#N 512a_100016993582_100000734998 [0,2,0,0,0,0|1,0,1]=4 2232 B8R0.1 CNNC(=O)NCCF 273464a_100000724931_100016993582 [0,2,0,0,0,0|1,0,0]=3 2233 B8R0.1 CNNC(=O)NCCF 512a_100016993582_100000724931 [0,2,0,0,0,0|1,0,0]=3 2234 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [0,2,0,0,0,0|1,0,0]=3 2235 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [0,2,0,0,0,0|1,0,0]=3 2236 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [0,2,0,0,0,0|2,0,0]=4 2237 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [0,2,0,0,0,0|2,0,0]=4 2238 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,2,0,0,0,0|1,0,1]=4 2239 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,2,0,0,0,0|1,0,0]=3 2240 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,2,0,0,0,0|1,0,0]=3 2241 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,2,0,0,0,0|1,0,0]=3 2242 B8R0.1 COCC(=O)NCC#N 1626a_100000734998_100000210968 [0,2,0,0,0,0|0,0,1]=3 2243 B8R0.1 COCC(=O)NCC#N 527a_100000734998_100000210968 [0,2,0,0,0,0|0,0,1]=3 2244 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,2,0,0,0,0|0,0,0]=2 2245 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,2,0,0,0,0|0,0,0]=2 2246 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,2,0,0,0,0|0,0,0]=2 2247 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,2,0,0,0,0|0,0,0]=2 2248 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,2,0,0,0,0|0,0,0]=2 2249 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,2,0,0,0,0|0,0,0]=2 2250 B8R0.1 COCC(C)NCCF 34a_100000724931_100000765312 [0,2,0,0,0,0|1,0,1]=4 2251 B8R0.1 COCC(C)NCCO 2230a_100016997473_100000765312 [0,2,0,0,0,0|1,0,1]=4 2252 B8R0.1 COCC(C)NCCO 270004a_100000210304_100000749346 [0,2,0,0,0,0|1,0,1]=4 2253 B8R0.1 COCC(C)NCCO 34a_100016990907_100000765312 [0,2,0,0,0,0|1,0,1]=4 2254 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,2,0,0,0,0|2,0,0]=4 2255 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,2,0,0,0,0|2,0,0]=4 2256 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,2,0,0,0,0|2,0,0]=4 2257 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,2,0,0,0,0|1,0,0]=3 2258 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,2,0,0,0,0|1,1,0]=4 2259 B8R0.1 COCN[C@H](C)COC 2230a_100000764878_100000766300 [0,2,0,0,0,0|1,0,1]=4 2260 B8R0.1 COC[C@@H](C)NCCF 2230a_100000764878_100011217306 [0,2,0,0,0,0|1,0,1]=4 2261 B8R0.1 COC[C@@H](C)NCCO 2230a_100000764878_100000211926 [0,2,0,0,0,0|1,0,1]=4 2262 B8R0.1 COC[C@@H](C)NCSC 2230a_100000764878_100011218213 [0,2,0,0,0,0|1,0,1]=4 2263 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,2,0,0,0,0|1,1,0]=4 2264 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,2,0,0,0,0|1,1,0]=4 2265 B8R0.1 CSCC(=O)NCC#N 1626a_100000734998_100000184570 [0,2,0,0,0,0|0,1,1]=4 2266 B8R0.1 CSCC(=O)NCC#N 527a_100000734998_100000184570 [0,2,0,0,0,0|0,1,1]=4 2267 B8R0.1 CSCC(=O)NCC#N 62a_100000736037_200000210301 [0,2,0,0,0,0|0,1,1]=4 2268 B8R0.1 CSCC(=O)NCC#N 62a_200000210301_100000736037 [0,2,0,0,0,0|0,1,1]=4 2269 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,2,0,0,0,0|0,1,0]=3 2270 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,2,0,0,0,0|0,1,0]=3 2271 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,2,0,0,0,0|0,1,0]=3 2272 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,2,0,0,0,0|0,1,0]=3 2273 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,2,0,0,0,0|0,1,0]=3 2274 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,2,0,0,0,0|0,1,0]=3 2275 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,2,0,0,0,0|2,0,0]=4 2276 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,2,0,0,0,0|2,0,0]=4 2277 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,2,0,0,0,0|2,0,0]=4 2278 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,2,0,0,0,0|1,1,0]=4 2279 B8R0.1 N#CCC(=O)NCCF 1626a_100000724931_100051588842 [0,2,0,0,0,0|1,0,1]=4 2280 B8R0.1 N#CCC(=O)NCCF 240690a_100000724931_100051588842 [0,2,0,0,0,0|1,0,1]=4 2281 B8R0.1 N#CCC(=O)NCCO 240690a_100000210304_100051588842 [0,2,0,0,0,0|1,0,1]=4 2282 B8R0.1 O=C(C=CBr)NCCF 1626a_100000724931_100016273825 [0,2,0,0,0,0|1,0,1]=4 2283 B8R0.1 O=C(C=CBr)NCCF 240690a_100000724931_100016273825 [0,2,0,0,0,0|1,0,1]=4 2284 B8R0.1 O=C(C=CBr)NCCO 240690a_100000210304_100016273825 [0,2,0,0,0,0|1,0,1]=4 2285 B8R0.1 O=C(C=CCl)NCCF 11a_100000724931_200016279998 [0,2,0,0,0,0|1,0,1]=4 2286 B8R0.1 O=C(C=CCl)NCCF 1626a_100000724931_200016279998 [0,2,0,0,0,0|1,0,1]=4 2287 B8R0.1 O=C(C=CCl)NCCF 240690a_100000724931_200016279998 [0,2,0,0,0,0|1,0,1]=4 2288 B8R0.1 O=C(C=CCl)NCCO 240690a_100000210304_200016279998 [0,2,0,0,0,0|1,0,1]=4 2289 B8R0.1 O=C(C=CI)NCCF 1626a_100000724931_100016256311 [0,2,0,0,0,0|1,0,1]=4 2290 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,2,0,0,0,0|2,0,0]=4 2291 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,2,0,0,0,0|2,0,0]=4 2292 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,2,0,0,0,0|1,0,0]=3 2293 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,2,0,0,0,0|1,0,0]=3 2294 B8R0.1 O=C(CSCF)NCO 62a_100000185155_100015361967 [0,2,0,0,0,0|1,1,0]=4 2295 B8R0.1 O=C(CSCF)NCO 62a_100015361967_100000185155 [0,2,0,0,0,0|1,1,0]=4 2296 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,2,0,0,0,0|1,0,0]=3 2297 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_100000736037_200025704644 [0,2,0,0,0,0|0,1,1]=4 2298 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_200025704644_100000736037 [0,2,0,0,0,0|0,1,1]=4 2299 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,2,0,0,0,0|2,0,0]=4 2300 B8R0.3 C#CCC(=O)N(C)CC 1626a_100000225621_100011220946 [0,2,0,0,0,0|1,0,1]=4 2301 B8R0.3 C#CCC(=O)N(C)CC 527a_100000225621_100011220946 [0,2,0,0,0,0|1,0,1]=4 2302 B8R0.3 C#CCN(C)C(=O)CC 11a_100000225692_100000210414 [0,2,0,0,0,0|1,0,1]=4 2303 B8R0.3 C#CCN(C)C(=O)CC 1626a_100000225692_100000210414 [0,2,0,0,0,0|1,0,1]=4 2304 B8R0.3 C#CCN(C)C(=O)CC 527a_100000225692_100000210414 [0,2,0,0,0,0|1,0,1]=4 2305 B8R0.3 C#CCN(C)C(=O)NC 2708a_100102657272_100000225692 [0,2,0,0,0,0|1,0,1]=4 2306 B8R0.3 C#CCN(C)C(=O)NC 273464a_100102657272_100000225692 [0,2,0,0,0,0|1,0,1]=4 2307 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,2,0,0,0,0|2,0,0]=4 2308 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,2,0,0,0,0|1,0,0]=3 2309 B8R0.3 C/C=C(\C)/C(=O)NNC 22a_100016993582_100020587367 [0,2,0,0,0,0|2,0,0]=4 2310 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [0,2,0,0,0,0|2,0,0]=4 2311 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,2,0,0,0,0|1,0,0]=3 2312 B8R0.3 C=C(CO)C(=O)NNC 22a_100016993582_200000705526 [0,2,0,0,0,0|2,0,0]=4 2313 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,2,0,0,0,0|1,0,0]=3 2314 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,2,0,0,0,0|1,0,0]=3 2315 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,2,0,0,0,0|1,0,0]=3 2316 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,2,0,0,0,0|1,0,0]=3 2317 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,2,0,0,0,0|1,0,0]=3 2318 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [0,2,0,0,0,0|1,0,1]=4 2319 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [0,2,0,0,0,0|1,0,1]=4 2320 B8R0.3 C=CC(=O)N(C)CCO 240690a_100000210263_200121576911 [0,2,0,0,0,0|1,0,1]=4 2321 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,2,0,0,0,0|2,0,0]=4 2322 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,2,0,0,0,0|1,0,0]=3 2323 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,2,0,0,0,0|1,0,0]=3 2324 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,2,0,0,0,0|1,0,0]=3 2325 B8R0.3 C=CC(C)C(=O)NNC 22a_100016993582_100011216780 [0,2,0,0,0,0|2,0,0]=4 2326 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [0,2,0,0,0,0|1,0,1]=4 2327 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [0,2,0,0,0,0|1,0,1]=4 2328 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [0,2,0,0,0,0|1,0,1]=4 2329 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [0,2,0,0,0,0|1,0,1]=4 2330 B8R0.3 C=CCN(C)C(=O)CC 11a_100000225617_100000210414 [0,2,0,0,0,0|1,0,1]=4 2331 B8R0.3 C=CCN(C)C(=O)CC 1626a_100000225617_100000210414 [0,2,0,0,0,0|1,0,1]=4 2332 B8R0.3 C=CCN(C)C(=O)CC 240690a_100000225617_100000210414 [0,2,0,0,0,0|1,0,1]=4 2333 B8R0.3 C=CCN(C)C(=O)CC 527a_100000225617_100000210414 [0,2,0,0,0,0|1,0,1]=4 2334 B8R0.3 C=CCN(C)C(=O)NC 2708a_100102657272_100000225617 [0,2,0,0,0,0|1,0,1]=4 2335 B8R0.3 C=CCN(C)C(=O)NC 273464a_100102657272_100000225617 [0,2,0,0,0,0|1,0,1]=4 2336 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [0,2,0,0,0,0|2,0,0]=4 2337 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,2,0,0,0,0|2,0,0]=4 2338 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,2,0,0,0,0|2,0,0]=4 2339 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,2,0,0,0,0|2,0,0]=4 2340 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,2,0,0,0,0|2,0,0]=4 2341 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,2,0,0,0,0|2,0,0]=4 2342 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,2,0,0,0,0|2,0,0]=4 2343 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,2,0,0,0,0|1,0,0]=3 2344 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,2,0,0,0,0|1,0,0]=3 2345 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,2,0,0,0,0|1,0,0]=3 2346 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,2,0,0,0,0|2,0,0]=4 2347 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,2,0,0,0,0|2,0,0]=4 2348 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,2,0,0,0,0|2,0,0]=4 2349 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,2,0,0,0,0|2,0,0]=4 2350 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,2,0,0,0,0|2,0,0]=4 2351 B8R0.3 CCC(=O)N(C)CC#N 11a_100000748184_100000210414 [0,2,0,0,0,0|1,0,1]=4 2352 B8R0.3 CCC(=O)N(C)CC#N 1626a_100000748184_100000210414 [0,2,0,0,0,0|1,0,1]=4 2353 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,2,0,0,0,0|1,0,0]=3 2354 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,2,0,0,0,0|1,0,0]=3 2355 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,2,0,0,0,0|2,0,0]=4 2356 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,2,0,0,0,0|2,0,0]=4 2357 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,2,0,0,0,0|2,0,0]=4 2358 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,2,0,0,0,0|1,0,0]=3 2359 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,2,0,0,0,0|1,1,0]=4 2360 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [0,2,0,0,0,0|2,0,0]=4 2361 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,2,0,0,0,0|2,0,0]=4 2362 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,2,0,0,0,0|2,0,0]=4 2363 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,2,0,0,0,0|2,0,0]=4 2364 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,2,0,0,0,0|2,0,0]=4 2365 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,2,0,0,0,0|2,0,0]=4 2366 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,2,0,0,0,0|2,0,0]=4 2367 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,2,0,0,0,0|2,0,0]=4 2368 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,2,0,0,0,0|2,0,0]=4 2369 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,2,0,0,0,0|1,0,0]=3 2370 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,2,0,0,0,0|1,1,0]=4 2371 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,2,0,0,0,0|2,0,0]=4 2372 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,2,0,0,0,0|2,0,0]=4 2373 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,2,0,0,0,0|1,0,0]=3 2374 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,2,0,0,0,0|1,0,0]=3 2375 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,2,0,0,0,0|1,0,0]=3 2376 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,2,0,0,0,0|1,0,0]=3 2377 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,2,0,0,0,0|2,0,0]=4 2378 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,2,0,0,0,0|2,0,0]=4 2379 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,2,0,0,0,0|2,0,0]=4 2380 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,2,0,0,0,0|2,0,0]=4 2381 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,2,0,0,0,0|2,0,0]=4 2382 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,2,0,0,0,0|2,0,0]=4 2383 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,2,0,0,0,0|1,0,0]=3 2384 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,2,0,0,0,0|1,0,0]=3 2385 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,2,0,0,0,0|1,0,0]=3 2386 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,2,0,0,0,0|1,0,0]=3 2387 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,2,0,0,0,0|2,0,0]=4 2388 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,2,0,0,0,0|2,0,0]=4 2389 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,2,0,0,0,0|1,0,0]=3 2390 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,2,0,0,0,0|1,0,0]=3 2391 B8R0.3 CCCN(C)C(C)OC 269982a_100000747261_100009879195 [0,2,0,0,0,0|1,0,1]=4 2392 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,2,0,0,0,0|2,0,0]=4 2393 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,2,0,0,0,0|2,0,0]=4 2394 B8R0.3 CCN(C)C(=O)C=CBr 1626a_100000225621_100016273825 [0,2,0,0,0,0|1,0,1]=4 2395 B8R0.3 CCN(C)C(=O)C=CBr 240690a_100000225621_100016273825 [0,2,0,0,0,0|1,0,1]=4 2396 B8R0.3 CCN(C)C(=O)C=CCl 11a_100000225621_200016279998 [0,2,0,0,0,0|1,0,1]=4 2397 B8R0.3 CCN(C)C(=O)C=CCl 1626a_100000225621_200016279998 [0,2,0,0,0,0|1,0,1]=4 2398 B8R0.3 CCN(C)C(=O)C=CCl 240690a_100000225621_200016279998 [0,2,0,0,0,0|1,0,1]=4 2399 B8R0.3 CCN(C)C(=O)C=CI 1626a_100000225621_100016256311 [0,2,0,0,0,0|1,0,1]=4 2400 B8R0.3 CCN(C)C(=O)CC#N 1626a_100000225621_100051588842 [0,2,0,0,0,0|1,0,1]=4 2401 B8R0.3 CCN(C)C(=O)CC#N 240690a_100000225621_100051588842 [0,2,0,0,0,0|1,0,1]=4 2402 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,2,0,0,0,0|1,0,0]=3 2403 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,2,0,0,0,0|1,0,0]=3 2404 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,2,0,0,0,0|1,0,0]=3 2405 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,2,0,0,0,0|1,0,0]=3 2406 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,2,0,0,0,0|0,0,0]=2 2407 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,2,0,0,0,0|0,0,0]=2 2408 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,2,0,0,0,0|0,0,0]=2 2409 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,2,0,0,0,0|0,0,0]=2 2410 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,2,0,0,0,0|0,0,0]=2 2411 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,2,0,0,0,0|0,1,0]=3 2412 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,2,0,0,0,0|0,1,0]=3 2413 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,2,0,0,0,0|0,1,0]=3 2414 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,2,0,0,0,0|0,1,0]=3 2415 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,2,0,0,0,0|0,1,0]=3 2416 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,2,0,0,0,0|0,1,0]=3 2417 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,2,0,0,0,0|0,1,0]=3 2418 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,2,0,0,0,0|0,1,0]=3 2419 B8R0.3 CCN(C)C(C)COC 2230a_100000225621_100000765312 [0,2,0,0,0,0|1,0,1]=4 2420 B8R0.3 CCN(C)C(C)COC 269982a_100000225621_100000765312 [0,2,0,0,0,0|1,0,1]=4 2421 B8R0.3 CCN(C)C(C)COC 7a_100000732741_200000210301 [0,2,0,0,0,0|1,0,1]=4 2422 B8R0.3 CCN(C)C(C)CO[13CH3] 7a_100000732741_200025704644 [0,2,0,0,0,0|1,0,1]=4 2423 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,2,0,0,0,0|1,0,0]=3 2424 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,2,0,0,0,0|1,0,0]=3 2425 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,2,0,0,0,0|1,0,0]=3 2426 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,2,0,0,0,0|1,0,0]=3 2427 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,2,0,0,0,0|1,0,0]=3 2428 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,2,0,0,0,0|1,0,0]=3 2429 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,2,0,0,0,0|1,0,0]=3 2430 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,2,0,0,0,0|0,0,0]=2 2431 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,2,0,0,0,0|0,0,0]=2 2432 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,2,0,0,0,0|0,0,0]=2 2433 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [0,2,0,0,0,0|1,0,0]=3 2434 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [0,2,0,0,0,0|1,0,0]=3 2435 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [0,2,0,0,0,0|1,0,0]=3 2436 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 2437 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 2438 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 2439 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,2,0,0,0,0|1,0,0]=3 2440 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,2,0,0,0,0|1,0,0]=3 2441 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,2,0,0,0,0|1,0,0]=3 2442 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,2,0,0,0,0|1,0,0]=3 2443 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,2,0,0,0,0|1,0,0]=3 2444 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,2,0,0,0,0|1,0,0]=3 2445 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,2,0,0,0,0|1,0,0]=3 2446 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,2,0,0,0,0|0,0,0]=2 2447 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,2,0,0,0,0|0,0,0]=2 2448 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,2,0,0,0,0|0,0,0]=2 2449 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,2,0,0,0,0|0,0,0]=2 2450 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,2,0,0,0,0|0,1,0]=3 2451 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,2,0,0,0,0|0,1,0]=3 2452 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,2,0,0,0,0|0,1,0]=3 2453 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,2,0,0,0,0|0,1,0]=3 2454 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,2,0,0,0,0|0,1,0]=3 2455 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,2,0,0,0,0|0,1,0]=3 2456 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,2,0,0,0,0|0,1,0]=3 2457 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,2,0,0,0,0|1,0,0]=3 2458 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,2,0,0,0,0|1,0,0]=3 2459 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,2,0,0,0,0|1,0,0]=3 2460 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,2,0,0,0,0|1,0,0]=3 2461 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,2,0,0,0,0|1,0,0]=3 2462 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,2,0,0,0,0|1,0,0]=3 2463 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,2,0,0,0,0|0,0,0]=2 2464 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,2,0,0,0,0|1,0,0]=3 2465 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,2,0,0,0,0|1,0,0]=3 2466 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,2,0,0,0,0|1,0,0]=3 2467 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,2,0,0,0,0|2,0,0]=4 2468 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,2,0,0,0,0|2,0,0]=4 2469 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,2,0,0,0,0|2,0,0]=4 2470 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,2,0,0,0,0|2,0,0]=4 2471 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,2,0,0,0,0|2,0,0]=4 2472 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,2,0,0,0,0|2,0,0]=4 2473 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,2,0,0,0,0|1,0,0]=3 2474 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,2,0,0,0,0|1,1,0]=4 2475 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,2,0,0,0,0|1,1,0]=4 2476 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,2,0,0,0,0|1,1,0]=4 2477 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,2,0,0,0,0|1,1,0]=4 2478 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,2,0,0,0,0|2,0,0]=4 2479 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,2,0,0,0,0|2,0,0]=4 2480 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,2,0,0,0,0|2,0,0]=4 2481 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,2,0,0,0,0|1,0,0]=3 2482 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,2,0,0,0,0|1,1,0]=4 2483 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,2,0,0,0,0|1,1,0]=4 2484 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,2,0,0,0,0|1,1,0]=4 2485 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,2,0,0,0,0|1,1,0]=4 2486 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,2,0,0,0,0|1,0,0]=3 2487 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,2,0,0,0,0|1,0,0]=3 2488 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,2,0,0,0,0|2,0,0]=4 2489 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,2,0,0,0,0|2,0,0]=4 2490 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,2,0,0,0,0|2,0,0]=4 2491 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,2,0,0,0,0|2,0,0]=4 2492 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,2,0,0,0,0|2,0,0]=4 2493 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,2,0,0,0,0|2,0,0]=4 2494 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,2,0,0,0,0|1,0,0]=3 2495 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,2,0,0,0,0|1,0,0]=3 2496 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,2,0,0,0,0|2,0,0]=4 2497 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,2,0,0,0,0|2,0,0]=4 2498 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,2,0,0,0,0|2,0,0]=4 2499 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,2,0,0,0,0|2,0,0]=4 2500 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,2,0,0,0,0|2,0,0]=4 2501 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,2,0,0,0,0|2,0,0]=4 2502 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,2,0,0,0,0|2,0,0]=4 2503 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,2,0,0,0,0|2,0,0]=4 2504 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,2,0,0,0,0|2,0,0]=4 2505 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,2,0,0,0,0|2,0,0]=4 2506 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,2,0,0,0,0|2,0,0]=4 2507 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,2,0,0,0,0|2,0,0]=4 2508 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,2,0,0,0,0|1,0,0]=3 2509 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,2,0,0,0,0|1,0,0]=3 2510 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,2,0,0,0,0|2,0,0]=4 2511 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,2,0,0,0,0|2,0,0]=4 2512 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,2,0,0,0,0|2,0,0]=4 2513 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,2,0,0,0,0|2,0,0]=4 2514 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,2,0,0,0,0|2,0,0]=4 2515 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,2,0,0,0,0|2,0,0]=4 2516 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,2,0,0,0,0|2,0,0]=4 2517 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,2,0,0,0,0|2,0,0]=4 2518 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,2,0,0,0,0|2,0,0]=4 2519 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,2,0,0,0,0|2,0,0]=4 2520 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,2,0,0,0,0|2,0,0]=4 2521 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,2,0,0,0,0|2,0,0]=4 2522 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,2,0,0,0,0|2,0,0]=4 2523 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,2,0,0,0,0|2,0,0]=4 2524 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,2,0,0,0,0|2,0,0]=4 2525 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,2,0,0,0,0|2,0,0]=4 2526 B8R0.3 CNC(=O)N(C)CC#N 273464a_100102657272_100000748184 [0,2,0,0,0,0|1,0,1]=4 2527 B8R0.3 CNC(=O)N(C)CCO 2708a_100102657272_100000210263 [0,2,0,0,0,0|1,0,0]=3 2528 B8R0.3 CNC(=O)N(C)CCO 273464a_100102657272_100000210263 [0,2,0,0,0,0|1,0,0]=3 2529 B8R0.3 CNC(=O)[C@@H](C)NCF 34a_100000684985_100015361967 [0,2,0,0,0,0|2,0,0]=4 2530 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,2,0,0,0,0|1,0,0]=3 2531 B8R0.3 CNCC(=O)N(C)OC 2230a_100015207273_200000210301 [0,2,0,0,0,0|2,0,0]=4 2532 B8R0.3 CNCC(=O)N(C)OC 2230a_106832991635_100000764215 [0,2,0,0,0,0|2,0,0]=4 2533 B8R0.3 CNCC(=O)N(C)OC 7a_106832991635_100000764215 [0,2,0,0,0,0|2,0,0]=4 2534 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,2,0,0,0,0|2,0,0]=4 2535 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,2,0,0,0,0|2,0,0]=4 2536 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,2,0,0,0,0|1,0,0]=3 2537 B8R0.3 CNNC(=O)C(=O)NC 22a_100016993582_100011218921 [0,2,0,0,0,0|2,0,0]=4 2538 B8R0.3 CNNC(=O)C(C)C#N 22a_100016993582_100000753662 [0,2,0,0,0,0|2,0,0]=4 2539 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [0,2,0,0,0,0|1,0,0]=3 2540 B8R0.3 CNNC(=O)C(C)SC 22a_100016993582_100000149566 [0,2,0,0,0,0|1,1,0]=4 2541 B8R0.3 CNNC(=O)C(O)CO 22a_100016993582_100011215603 [0,2,0,0,0,0|2,0,0]=4 2542 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,2,0,0,0,0|1,0,0]=3 2543 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,2,0,0,0,0|1,0,0]=3 2544 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,2,0,0,0,0|1,0,0]=3 2545 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,2,0,0,0,0|1,0,0]=3 2546 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,2,0,0,0,0|1,0,0]=3 2547 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,2,0,0,0,0|1,0,0]=3 2548 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,2,0,0,0,0|1,0,0]=3 2549 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,2,0,0,0,0|1,0,0]=3 2550 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,2,0,0,0,0|1,0,0]=3 2551 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,2,0,0,0,0|1,0,0]=3 2552 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,2,0,0,0,0|2,0,0]=4 2553 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,2,0,0,0,0|2,0,0]=4 2554 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,2,0,0,0,0|2,0,0]=4 2555 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,2,0,0,0,0|1,0,0]=3 2556 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|1,0,0]=3 2557 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,2,0,0,0,0|2,0,0]=4 2558 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,2,0,0,0,0|2,0,0]=4 2559 B8R0.3 COC(C)N(C)CCO 269982a_100000210263_100009879195 [0,2,0,0,0,0|1,0,1]=4 2560 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,2,0,0,0,0|1,0,0]=3 2561 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,2,0,0,0,0|1,0,0]=3 2562 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,2,0,0,0,0|1,0,0]=3 2563 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,2,0,0,0,0|1,0,0]=3 2564 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,2,0,0,0,0|1,0,0]=3 2565 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|1,0,0]=3 2566 B8R0.3 CON(C)C(=O)CN[13CH3] 2230a_100015207273_200025704644 [0,2,0,0,0,0|2,0,0]=4 2567 B8R0.3 CON(C)C(=O)CSC 62a_100000764215_200000210301 [0,2,0,0,0,0|1,1,0]=4 2568 B8R0.3 CON(C)C(=O)CSC 62a_200000210301_100000764215 [0,2,0,0,0,0|1,1,0]=4 2569 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_100000764215_200025704644 [0,2,0,0,0,0|1,1,0]=4 2570 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_200025704644_100000764215 [0,2,0,0,0,0|1,1,0]=4 2571 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,2,0,0,0,0|2,0,0]=4 2572 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,2,0,0,0,0|2,0,0]=4 2573 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,2,0,0,0,0|2,0,0]=4 2574 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,2,0,0,0,0|2,0,0]=4 2575 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,2,0,0,0,0|2,0,0]=4 2576 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,2,0,0,0,0|2,0,0]=4 2577 B8R0.6 C#CCCNC(=O)C=C 1626a_100000755551_100000185746 [0,2,0,0,0,0|1,0,1]=4 2578 B8R0.6 C#CCCNC(=O)C=C 240690a_100000755551_200121576911 [0,2,0,0,0,0|1,0,1]=4 2579 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,2,0,0,0,0|1,0,0]=3 2580 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,2,0,0,0,0|1,0,0]=3 2581 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,2,0,0,0,0|1,0,0]=3 2582 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,2,0,0,0,0|1,0,0]=3 2583 B8R0.6 C#CCCNC(=O)CO 240690a_100000755551_100000210174 [0,2,0,0,0,0|2,0,0]=4 2584 B8R0.6 C#CCCNC(=O)CO 527a_100000755551_100000210174 [0,2,0,0,0,0|2,0,0]=4 2585 B8R0.6 C#CCCNC(=O)NC 2708a_100000755551_106832991635 [0,2,0,0,0,0|1,0,0]=3 2586 B8R0.6 C#CCCNC(=O)NC 2708a_100102657272_100000755551 [0,2,0,0,0,0|1,0,0]=3 2587 B8R0.6 C#CCCNC(=O)NC 273464a_100000755551_100102657272 [0,2,0,0,0,0|1,0,0]=3 2588 B8R0.6 C#CCCNC(=O)NC 273464a_100102657272_100000755551 [0,2,0,0,0,0|1,0,0]=3 2589 B8R0.6 C#CCCNC(=O)NC 512a_100000755551_100102657272 [0,2,0,0,0,0|1,0,0]=3 2590 B8R0.6 C#CCCNC(=O)NC 512a_106832991638_100000755551 [0,2,0,0,0,0|1,0,0]=3 2591 B8R0.6 C#CCNCC(=O)NC 2230a_100000693194_100000038162 [0,2,0,0,0,0|1,0,1]=4 2592 B8R0.6 C#CCNCC(=O)NC 34a_100000212058_100000183359 [0,2,0,0,0,0|1,0,1]=4 2593 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [0,2,0,0,0,0|0,0,1]=3 2594 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [0,2,0,0,0,0|1,0,1]=4 2595 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [0,2,0,0,0,0|1,0,1]=4 2596 B8R0.6 C/C=C(\C)/C=NNCC 4a_100000756455_100020587592 [0,2,0,0,0,0|2,0,0]=4 2597 B8R0.6 C=CC(=O)NCC#CC 1626a_100000685387_100000185746 [0,2,0,0,0,0|1,0,1]=4 2598 B8R0.6 C=CC(=O)NCCC#N 1626a_100000720768_100000185746 [0,2,0,0,0,0|1,0,1]=4 2599 B8R0.6 C=CC(=O)NCCC#N 240690a_100000720768_200121576911 [0,2,0,0,0,0|1,0,1]=4 2600 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,2,0,0,0,0|1,0,1]=4 2601 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,2,0,0,0,0|1,0,1]=4 2602 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [0,2,0,0,0,0|1,0,1]=4 2603 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [0,2,0,0,0,0|1,0,1]=4 2604 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,2,0,0,0,0|1,0,1]=4 2605 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [0,2,0,0,0,0|1,0,1]=4 2606 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [0,2,0,0,0,0|1,0,1]=4 2607 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [0,2,0,0,0,0|1,0,1]=4 2608 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [0,2,0,0,0,0|1,0,1]=4 2609 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [0,2,0,0,0,0|1,0,1]=4 2610 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [0,2,0,0,0,0|1,0,1]=4 2611 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [0,2,0,0,0,0|1,0,1]=4 2612 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [0,2,0,0,0,0|1,0,1]=4 2613 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [0,2,0,0,0,0|1,0,1]=4 2614 B8R0.6 C=CC(=O)NNCCO 22a_100000210001_100000185746 [0,2,0,0,0,0|1,0,1]=4 2615 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,2,0,0,0,0|2,0,0]=4 2616 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,2,0,0,0,0|2,0,0]=4 2617 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,2,0,0,0,0|2,0,0]=4 2618 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,2,0,0,0,0|2,0,0]=4 2619 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,2,0,0,0,0|2,0,0]=4 2620 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,2,0,0,0,0|2,0,0]=4 2621 B8R0.6 C=CCCNC(=O)C=C 1626a_100015191253_100000185746 [0,2,0,0,0,0|1,0,1]=4 2622 B8R0.6 C=CCCNC(=O)C=C 240690a_100015191253_200121576911 [0,2,0,0,0,0|1,0,1]=4 2623 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,2,0,0,0,0|1,0,0]=3 2624 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,2,0,0,0,0|1,0,0]=3 2625 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,2,0,0,0,0|1,0,0]=3 2626 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,2,0,0,0,0|1,0,0]=3 2627 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [0,2,0,0,0,0|2,0,0]=4 2628 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [0,2,0,0,0,0|2,0,0]=4 2629 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [0,2,0,0,0,0|1,0,0]=3 2630 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [0,2,0,0,0,0|1,0,0]=3 2631 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [0,2,0,0,0,0|1,0,0]=3 2632 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [0,2,0,0,0,0|1,0,0]=3 2633 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [0,2,0,0,0,0|1,0,0]=3 2634 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [0,2,0,0,0,0|1,0,0]=3 2635 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [0,2,0,0,0,0|1,0,1]=4 2636 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [0,2,0,0,0,0|1,0,1]=4 2637 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,2,0,0,0,0|0,0,1]=3 2638 B8R0.6 C=CCNNC(=O)CC 22a_100020588587_100000210414 [0,2,0,0,0,0|1,0,1]=4 2639 B8R0.6 C=CCNNC(=O)NC 273464a_100102657272_100020588587 [0,2,0,0,0,0|1,0,1]=4 2640 B8R0.6 C=CCNNC(=O)NC 512a_100020588587_100102657272 [0,2,0,0,0,0|1,0,1]=4 2641 B8R0.6 C=CCNNC(=O)NC 512a_106832991638_100020588587 [0,2,0,0,0,0|1,0,1]=4 2642 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,2,0,0,0,0|1,0,1]=4 2643 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,2,0,0,0,0|1,0,1]=4 2644 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,2,0,0,0,0|1,0,1]=4 2645 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [0,2,0,0,0,0|1,0,0]=3 2646 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [0,2,0,0,0,0|1,0,0]=3 2647 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [0,2,0,0,0,0|1,0,0]=3 2648 B8R0.6 CC#CCNC(=O)CO 527a_100000685387_100000210174 [0,2,0,0,0,0|2,0,0]=4 2649 B8R0.6 CC#CCNC(=O)NC 2708a_100102657272_100000685387 [0,2,0,0,0,0|1,0,0]=3 2650 B8R0.6 CC#CCNC(=O)NC 273464a_100000685387_100102657272 [0,2,0,0,0,0|1,0,0]=3 2651 B8R0.6 CC#CCNC(=O)NC 273464a_100102657272_100000685387 [0,2,0,0,0,0|1,0,0]=3 2652 B8R0.6 CC#CCNC(=O)NC 512a_100000685387_100102657272 [0,2,0,0,0,0|1,0,0]=3 2653 B8R0.6 CC#CCNC(=O)NC 512a_106832991638_100000685387 [0,2,0,0,0,0|1,0,0]=3 2654 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,2,0,0,0,0|2,0,0]=4 2655 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,2,0,0,0,0|2,0,0]=4 2656 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,2,0,0,0,0|2,0,0]=4 2657 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,2,0,0,0,0|2,0,0]=4 2658 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,2,0,0,0,0|2,0,0]=4 2659 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,2,0,0,0,0|2,0,0]=4 2660 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,2,0,0,0,0|2,0,0]=4 2661 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,2,0,0,0,0|2,0,0]=4 2662 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,2,0,0,0,0|2,0,0]=4 2663 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,2,0,0,0,0|2,0,0]=4 2664 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,2,0,0,0,0|2,0,0]=4 2665 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,2,0,0,0,0|2,0,0]=4 2666 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,2,0,0,0,0|2,0,0]=4 2667 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,2,0,0,0,0|2,0,0]=4 2668 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,2,0,0,0,0|2,0,0]=4 2669 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,2,0,0,0,0|2,0,0]=4 2670 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,2,0,0,0,0|2,0,0]=4 2671 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,2,0,0,0,0|2,0,0]=4 2672 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,2,0,0,0,0|2,0,0]=4 2673 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,2,0,0,0,0|2,0,0]=4 2674 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,2,0,0,0,0|2,0,0]=4 2675 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,2,0,0,0,0|2,0,0]=4 2676 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,2,0,0,0,0|2,0,0]=4 2677 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,2,0,0,0,0|2,0,0]=4 2678 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,2,0,0,0,0|2,0,0]=4 2679 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,2,0,0,0,0|2,0,0]=4 2680 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,2,0,0,0,0|2,0,0]=4 2681 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,2,0,0,0,0|2,0,0]=4 2682 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,2,0,0,0,0|1,0,0]=3 2683 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,2,0,0,0,0|1,0,0]=3 2684 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,2,0,0,0,0|1,0,0]=3 2685 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,2,0,0,0,0|1,0,0]=3 2686 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,2,0,0,0,0|1,0,0]=3 2687 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,2,0,0,0,0|1,0,0]=3 2688 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,2,0,0,0,0|1,0,0]=3 2689 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,2,0,0,0,0|1,0,0]=3 2690 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,2,0,0,0,0|1,0,0]=3 2691 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,2,0,0,0,0|1,0,0]=3 2692 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,2,0,0,0,0|1,0,0]=3 2693 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,2,0,0,0,0|1,0,0]=3 2694 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,2,0,0,0,0|1,0,0]=3 2695 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,2,0,0,0,0|1,0,0]=3 2696 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,2,0,0,0,0|1,0,0]=3 2697 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,2,0,0,0,0|1,0,0]=3 2698 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,2,0,0,0,0|1,0,0]=3 2699 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,2,0,0,0,0|1,0,0]=3 2700 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,2,0,0,0,0|1,0,0]=3 2701 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,2,0,0,0,0|1,0,0]=3 2702 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,2,0,0,0,0|1,0,0]=3 2703 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,2,0,0,0,0|1,0,0]=3 2704 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,2,0,0,0,0|1,0,0]=3 2705 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,2,0,0,0,0|1,0,0]=3 2706 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,2,0,0,0,0|2,0,0]=4 2707 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,2,0,0,0,0|2,0,0]=4 2708 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,2,0,0,0,0|1,0,0]=3 2709 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,2,0,0,0,0|2,0,0]=4 2710 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,2,0,0,0,0|2,0,0]=4 2711 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,2,0,0,0,0|2,0,0]=4 2712 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,2,0,0,0,0|2,0,0]=4 2713 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,2,0,0,0,0|2,0,0]=4 2714 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,2,0,0,0,0|2,0,0]=4 2715 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,2,0,0,0,0|2,0,0]=4 2716 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,2,0,0,0,0|2,0,0]=4 2717 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,2,0,0,0,0|2,0,0]=4 2718 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,2,0,0,0,0|2,0,0]=4 2719 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,2,0,0,0,0|2,0,0]=4 2720 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,2,0,0,0,0|2,0,0]=4 2721 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,2,0,0,0,0|1,0,0]=3 2722 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,2,0,0,0,0|1,0,0]=3 2723 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,2,0,0,0,0|1,0,0]=3 2724 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,2,0,0,0,0|1,0,0]=3 2725 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,2,0,0,0,0|2,0,0]=4 2726 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,2,0,0,0,0|2,0,0]=4 2727 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,2,0,0,0,0|1,0,0]=3 2728 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,2,0,0,0,0|1,0,0]=3 2729 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,2,0,0,0,0|1,0,0]=3 2730 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,2,0,0,0,0|1,0,0]=3 2731 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,2,0,0,0,0|1,0,0]=3 2732 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,2,0,0,0,0|1,0,0]=3 2733 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,2,0,0,0,0|1,0,0]=3 2734 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,2,0,0,0,0|1,0,1]=4 2735 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,2,0,0,0,0|1,0,0]=3 2736 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,2,0,0,0,0|2,0,0]=4 2737 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,2,0,0,0,0|1,0,0]=3 2738 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,2,0,0,0,0|1,0,0]=3 2739 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,2,0,0,0,0|1,0,0]=3 2740 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,2,0,0,0,0|2,0,0]=4 2741 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,2,0,0,0,0|2,0,0]=4 2742 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,2,0,0,0,0|2,0,0]=4 2743 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,2,0,0,0,0|2,0,0]=4 2744 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,2,0,0,0,0|2,0,0]=4 2745 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,2,0,0,0,0|2,0,0]=4 2746 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,2,0,0,0,0|2,0,0]=4 2747 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,2,0,0,0,0|2,0,0]=4 2748 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,2,0,0,0,0|1,0,0]=3 2749 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,2,0,0,0,0|2,0,0]=4 2750 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,2,0,0,0,0|2,0,0]=4 2751 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,2,0,0,0,0|2,0,0]=4 2752 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,2,0,0,0,0|2,0,0]=4 2753 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,2,0,0,0,0|2,0,0]=4 2754 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,2,0,0,0,0|2,0,0]=4 2755 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,2,0,0,0,0|2,0,0]=4 2756 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,2,0,0,0,0|2,0,0]=4 2757 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,2,0,0,0,0|2,0,0]=4 2758 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,2,0,0,0,0|1,0,0]=3 2759 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,2,0,0,0,0|1,0,0]=3 2760 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,2,0,0,0,0|1,0,0]=3 2761 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,2,0,0,0,0|1,0,0]=3 2762 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,2,0,0,0,0|1,0,0]=3 2763 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,2,0,0,0,0|0,0,0]=2 2764 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,2,0,0,0,0|0,0,0]=2 2765 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,2,0,0,0,0|2,0,0]=4 2766 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,2,0,0,0,0|2,0,0]=4 2767 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,2,0,0,0,0|2,0,0]=4 2768 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,2,0,0,0,0|2,0,0]=4 2769 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,2,0,0,0,0|2,0,0]=4 2770 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,2,0,0,0,0|2,0,0]=4 2771 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,2,0,0,0,0|2,0,0]=4 2772 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,2,0,0,0,0|2,0,0]=4 2773 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,2,0,0,0,0|2,0,0]=4 2774 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,2,0,0,0,0|2,0,0]=4 2775 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,2,0,0,0,0|2,0,0]=4 2776 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,2,0,0,0,0|2,0,0]=4 2777 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,2,0,0,0,0|1,0,0]=3 2778 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,2,0,0,0,0|2,0,0]=4 2779 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,2,0,0,0,0|2,0,0]=4 2780 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,2,0,0,0,0|2,0,0]=4 2781 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,2,0,0,0,0|2,0,0]=4 2782 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,2,0,0,0,0|2,0,0]=4 2783 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,2,0,0,0,0|2,0,0]=4 2784 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,2,0,0,0,0|2,0,0]=4 2785 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,2,0,0,0,0|2,0,0]=4 2786 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,2,0,0,0,0|1,0,0]=3 2787 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,2,0,0,0,0|1,0,0]=3 2788 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,2,0,0,0,0|1,0,0]=3 2789 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,2,0,0,0,0|2,0,0]=4 2790 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,2,0,0,0,0|2,0,0]=4 2791 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,2,0,0,0,0|2,0,0]=4 2792 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,2,0,0,0,0|2,0,0]=4 2793 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,2,0,0,0,0|2,0,0]=4 2794 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,2,0,0,0,0|2,0,0]=4 2795 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,2,0,0,0,0|2,0,0]=4 2796 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,2,0,0,0,0|2,0,0]=4 2797 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,2,0,0,0,0|2,0,0]=4 2798 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,2,0,0,0,0|2,0,0]=4 2799 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,2,0,0,0,0|2,0,0]=4 2800 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,2,0,0,0,0|2,0,0]=4 2801 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,2,0,0,0,0|2,0,0]=4 2802 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,2,0,0,0,0|2,0,0]=4 2803 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,2,0,0,0,0|2,0,0]=4 2804 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,2,0,0,0,0|2,0,0]=4 2805 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,2,0,0,0,0|2,0,0]=4 2806 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,2,0,0,0,0|2,0,0]=4 2807 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,2,0,0,0,0|2,0,0]=4 2808 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,2,0,0,0,0|2,0,0]=4 2809 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,2,0,0,0,0|2,0,0]=4 2810 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,2,0,0,0,0|2,0,0]=4 2811 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,2,0,0,0,0|2,0,0]=4 2812 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,2,0,0,0,0|2,0,0]=4 2813 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,2,0,0,0,0|2,0,0]=4 2814 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,2,0,0,0,0|2,0,0]=4 2815 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,2,0,0,0,0|2,0,0]=4 2816 B8R0.6 CNC(=O)CNCC#N 2230a_100000693194_100011215382 [0,2,0,0,0,0|1,0,1]=4 2817 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [0,2,0,0,0,0|1,0,1]=4 2818 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,2,0,0,0,0|1,0,0]=3 2819 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,2,0,0,0,0|1,0,0]=3 2820 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,2,0,0,0,0|1,0,0]=3 2821 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,2,0,0,0,0|1,0,0]=3 2822 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,2,0,0,0,0|1,0,0]=3 2823 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,2,0,0,0,0|1,0,0]=3 2824 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,2,0,0,0,0|1,0,0]=3 2825 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,2,0,0,0,0|2,0,0]=4 2826 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,2,0,0,0,0|2,0,0]=4 2827 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,2,0,0,0,0|2,0,0]=4 2828 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,2,0,0,0,0|2,0,0]=4 2829 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,2,0,0,0,0|2,0,0]=4 2830 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,2,0,0,0,0|2,0,0]=4 2831 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,2,0,0,0,0|2,0,0]=4 2832 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,2,0,0,0,0|2,0,0]=4 2833 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,2,0,0,0,0|2,0,0]=4 2834 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,2,0,0,0,0|2,0,0]=4 2835 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,2,0,0,0,0|2,0,0]=4 2836 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,2,0,0,0,0|2,0,0]=4 2837 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,2,0,0,0,0|2,0,0]=4 2838 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,2,0,0,0,0|2,0,0]=4 2839 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,2,0,0,0,0|2,0,0]=4 2840 B8R0.6 CNC(=O)NCCC#N 2708a_100000720768_106832991635 [0,2,0,0,0,0|1,0,0]=3 2841 B8R0.6 CNC(=O)NCCC#N 2708a_100102657272_100000720768 [0,2,0,0,0,0|1,0,0]=3 2842 B8R0.6 CNC(=O)NCCC#N 273464a_100000720768_100102657272 [0,2,0,0,0,0|1,0,0]=3 2843 B8R0.6 CNC(=O)NCCC#N 273464a_100102657272_100000720768 [0,2,0,0,0,0|1,0,0]=3 2844 B8R0.6 CNC(=O)NCCC#N 512a_100000720768_100102657272 [0,2,0,0,0,0|1,0,0]=3 2845 B8R0.6 CNC(=O)NCCC#N 512a_106832991638_100000720768 [0,2,0,0,0,0|1,0,0]=3 2846 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,2,0,0,0,0|1,0,0]=3 2847 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,2,0,0,0,0|1,0,0]=3 2848 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,2,0,0,0,0|1,0,0]=3 2849 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,2,0,0,0,0|1,0,0]=3 2850 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,2,0,0,0,0|1,0,0]=3 2851 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,2,0,0,0,0|1,0,0]=3 2852 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,2,0,0,0,0|1,0,0]=3 2853 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,2,0,0,0,0|1,0,0]=3 2854 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,2,0,0,0,0|1,0,0]=3 2855 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,2,0,0,0,0|1,0,0]=3 2856 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,2,0,0,0,0|1,0,0]=3 2857 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,2,0,0,0,0|1,0,0]=3 2858 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,2,0,0,0,0|1,0,0]=3 2859 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,2,0,0,0,0|1,0,0]=3 2860 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,2,0,0,0,0|1,0,0]=3 2861 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,2,0,0,0,0|1,0,0]=3 2862 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,2,0,0,0,0|1,0,0]=3 2863 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,2,0,0,0,0|1,0,0]=3 2864 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,2,0,0,0,0|1,0,0]=3 2865 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,2,0,0,0,0|1,0,0]=3 2866 B8R0.6 CNC(=O)NNCCO 273464a_100102657272_100000210001 [0,2,0,0,0,0|1,0,0]=3 2867 B8R0.6 CNC(=O)NNCCO 512a_106832991638_100000210001 [0,2,0,0,0,0|1,0,0]=3 2868 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,2,0,0,0,0|2,0,0]=4 2869 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,2,0,0,0,0|2,0,0]=4 2870 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,2,0,0,0,0|2,0,0]=4 2871 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,2,0,0,0,0|2,0,0]=4 2872 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,2,0,0,0,0|2,0,0]=4 2873 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,2,0,0,0,0|1,0,0]=3 2874 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,2,0,0,0,0|1,0,0]=3 2875 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,2,0,0,0,0|1,0,0]=3 2876 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,2,0,0,0,0|2,0,0]=4 2877 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,2,0,0,0,0|2,0,0]=4 2878 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,2,0,0,0,0|2,0,0]=4 2879 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,2,0,0,0,0|2,0,0]=4 2880 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,2,0,0,0,0|2,0,0]=4 2881 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,2,0,0,0,0|1,0,0]=3 2882 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,2,0,0,0,0|1,0,0]=3 2883 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,2,0,0,0,0|1,0,0]=3 2884 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,2,0,0,0,0|1,0,0]=3 2885 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,2,0,0,0,0|2,0,0]=4 2886 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,2,0,0,0,0|2,0,0]=4 2887 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,2,0,0,0,0|1,0,0]=3 2888 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,2,0,0,0,0|1,0,0]=3 2889 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,2,0,0,0,0|1,0,0]=3 2890 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,2,0,0,0,0|1,0,0]=3 2891 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,2,0,0,0,0|1,0,0]=3 2892 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,2,0,0,0,0|1,0,0]=3 2893 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,2,0,0,0,0|1,0,0]=3 2894 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,2,0,0,0,0|1,0,0]=3 2895 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,2,0,0,0,0|1,0,0]=3 2896 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,2,0,0,0,0|1,0,0]=3 2897 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,2,0,0,0,0|0,0,0]=2 2898 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,2,0,0,0,0|0,0,0]=2 2899 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,2,0,0,0,0|0,0,0]=2 2900 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,2,0,0,0,0|1,0,0]=3 2901 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,2,0,0,0,0|1,0,0]=3 2902 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [0,2,0,0,0,0|1,0,1]=4 2903 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [0,2,0,0,0,0|1,0,1]=4 2904 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,2,0,0,0,0|1,0,1]=4 2905 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,2,0,0,0,0|1,0,1]=4 2906 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,2,0,0,0,0|1,0,0]=3 2907 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,2,0,0,0,0|1,0,0]=3 2908 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,2,0,0,0,0|1,0,0]=3 2909 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,2,0,0,0,0|1,0,0]=3 2910 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,2,0,0,0,0|1,0,0]=3 2911 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,2,0,0,0,0|1,0,0]=3 2912 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,2,0,0,0,0|0,0,0]=2 2913 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,2,0,0,0,0|1,0,0]=3 2914 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,2,0,0,0,0|1,0,0]=3 2915 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,2,0,0,0,0|1,0,0]=3 2916 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,2,0,0,0,0|1,0,0]=3 2917 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,2,0,0,0,0|2,0,0]=4 2918 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,2,0,0,0,0|2,0,0]=4 2919 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,2,0,0,0,0|0,0,0]=2 2920 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,2,0,0,0,0|1,0,0]=3 2921 B8R0.6 COCNC[C@@H](C)OC 2230a_100020591295_100000766300 [0,2,0,0,0,0|1,0,1]=4 2922 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,2,0,0,0,0|1,0,0]=3 2923 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,2,0,0,0,0|1,0,0]=3 2924 B8R0.6 CO[C@H](C)CNCCF 2230a_100020591295_100011217306 [0,2,0,0,0,0|1,0,1]=4 2925 B8R0.6 CO[C@H](C)CNCCO 2230a_100020591295_100000211926 [0,2,0,0,0,0|1,0,1]=4 2926 B8R0.6 CO[C@H](C)CNCSC 2230a_100020591295_100011218213 [0,2,0,0,0,0|1,0,1]=4 2927 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,2,0,0,0,0|2,0,0]=4 2928 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,2,0,0,0,0|2,0,0]=4 2929 B8R0.6 N#CCCNC(=O)CO 240690a_100000720768_100000210174 [0,2,0,0,0,0|2,0,0]=4 2930 B8R0.6 N#CCCNC(=O)CO 527a_100000720768_100000210174 [0,2,0,0,0,0|2,0,0]=4 2931 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,2,0,0,0,0|2,0,0]=4 2932 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,2,0,0,0,0|2,0,0]=4 2933 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,2,0,0,0,0|2,0,0]=4 2934 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,2,0,0,0,0|2,0,0]=4 2935 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [0,2,0,0,0,0|2,0,0]=4 2936 B8R0.8 C#CCNC(=O)C(=C)C 11a_100000212058_100000185857 [0,2,0,0,0,0|1,0,1]=4 2937 B8R0.8 C#CCNC(=O)C(=C)C 1626a_100000212058_100000185857 [0,2,0,0,0,0|1,0,1]=4 2938 B8R0.8 C#CCNC(=O)C(C)C 11a_100000212058_100000210198 [0,2,0,0,0,0|1,0,1]=4 2939 B8R0.8 C#CCNC(=O)C(C)C 1626a_100000212058_100000210198 [0,2,0,0,0,0|1,0,1]=4 2940 B8R0.8 C#CCNC(=O)C(C)C 240690a_100000212058_100000210198 [0,2,0,0,0,0|1,0,1]=4 2941 B8R0.8 C#CCNC(=O)C(C)C 527a_100000212058_100000210198 [0,2,0,0,0,0|1,0,1]=4 2942 B8R0.8 C#CCNC(=O)C(C)F 11a_100000212058_100000062450 [0,2,0,0,0,0|1,0,1]=4 2943 B8R0.8 C#CCNC(=O)C(C)F 1626a_100000212058_100000062450 [0,2,0,0,0,0|1,0,1]=4 2944 B8R0.8 C#CCNC(=O)C(C)F 240690a_100000212058_100000062450 [0,2,0,0,0,0|1,0,1]=4 2945 B8R0.8 C#CCNC(=O)C(C)F 527a_100000212058_100000062450 [0,2,0,0,0,0|1,0,1]=4 2946 B8R0.8 C#CCNC(=O)N(C)C 2708a_100000212058_100102631434 [0,2,0,0,0,0|1,0,1]=4 2947 B8R0.8 C#CCNC(=O)[C@@H](C)O 240690a_100000212058_100000717761 [0,2,0,0,0,0|1,0,1]=4 2948 B8R0.8 C#CCNC(=O)[C@H](C)O 1626a_100000212058_217856618621 [0,2,0,0,0,0|1,0,1]=4 2949 B8R0.8 C#CCNC(=O)[C@H](C)O 240690a_100000212058_217856618621 [0,2,0,0,0,0|1,0,1]=4 2950 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,2,0,0,0,0|1,0,1]=4 2951 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,2,0,0,0,0|1,0,1]=4 2952 B8R0.8 C=C(Br)C(=O)NCCF 11a_100000724931_100009813364 [0,2,0,0,0,0|1,0,1]=4 2953 B8R0.8 C=C(Br)C(=O)NCCF 1626a_100000724931_100009813364 [0,2,0,0,0,0|1,0,1]=4 2954 B8R0.8 C=C(C)C(=NNCC)C 4a_100000756455_100011216138 [0,2,0,0,0,0|2,0,0]=4 2955 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,2,0,0,0,0|2,0,0]=4 2956 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,2,0,0,0,0|2,0,0]=4 2957 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,2,0,0,0,0|2,0,0]=4 2958 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,2,0,0,0,0|2,0,0]=4 2959 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,2,0,0,0,0|2,0,0]=4 2960 B8R0.8 C=C(C)C(=O)NCC#N 1626a_100000734998_100000185857 [0,2,0,0,0,0|1,0,1]=4 2961 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,2,0,0,0,0|1,0,0]=3 2962 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,2,0,0,0,0|1,0,0]=3 2963 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [0,2,0,0,0,0|1,0,0]=3 2964 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [0,2,0,0,0,0|1,0,0]=3 2965 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [0,2,0,0,0,0|1,0,0]=3 2966 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,2,0,0,0,0|1,0,1]=4 2967 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,2,0,0,0,0|1,0,1]=4 2968 B8R0.8 C=C(Cl)C(=O)NCCF 11a_100000724931_100000039160 [0,2,0,0,0,0|1,0,1]=4 2969 B8R0.8 C=C(Cl)C(=O)NCCF 1626a_100000724931_100000039160 [0,2,0,0,0,0|1,0,1]=4 2970 B8R0.8 C=C(Cl)C(=O)NNCC 22a_100000756455_100000039160 [0,2,0,0,0,0|1,0,1]=4 2971 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,2,0,0,0,0|1,0,1]=4 2972 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,2,0,0,0,0|1,0,1]=4 2973 B8R0.8 C=C(F)C(=O)NCCF 11a_100000724931_100000036797 [0,2,0,0,0,0|1,0,1]=4 2974 B8R0.8 C=C(F)C(=O)NCCF 1626a_100000724931_100000036797 [0,2,0,0,0,0|1,0,1]=4 2975 B8R0.8 C=C(F)C(=O)NNCC 22a_100000756455_100000036797 [0,2,0,0,0,0|1,0,1]=4 2976 B8R0.8 C=CCNC(=O)C(=C)C 1626a_100020586998_100000185857 [0,2,0,0,0,0|1,0,1]=4 2977 B8R0.8 C=CCNC(=O)C(C)C 1626a_100020586998_100000210198 [0,2,0,0,0,0|1,0,1]=4 2978 B8R0.8 C=CCNC(=O)C(C)C 240690a_100020586998_100000210198 [0,2,0,0,0,0|1,0,1]=4 2979 B8R0.8 C=CCNC(=O)C(C)C 527a_100020586998_100000210198 [0,2,0,0,0,0|1,0,1]=4 2980 B8R0.8 C=CCNC(=O)C(C)F 1626a_100020586998_100000062450 [0,2,0,0,0,0|1,0,1]=4 2981 B8R0.8 C=CCNC(=O)C(C)F 240690a_100020586998_100000062450 [0,2,0,0,0,0|1,0,1]=4 2982 B8R0.8 C=CCNC(=O)C(C)F 527a_100020586998_100000062450 [0,2,0,0,0,0|1,0,1]=4 2983 B8R0.8 C=CCNC(=O)[C@@H](C)O 240690a_100020586998_100000717761 [0,2,0,0,0,0|1,0,1]=4 2984 B8R0.8 C=CCNC(=O)[C@H](C)O 1626a_100020586998_217856618621 [0,2,0,0,0,0|1,0,1]=4 2985 B8R0.8 C=CCNC(=O)[C@H](C)O 240690a_100020586998_217856618621 [0,2,0,0,0,0|1,0,1]=4 2986 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,2,0,0,0,0|2,0,0]=4 2987 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,2,0,0,0,0|2,0,0]=4 2988 B8R0.8 CC(C)C(=O)NCC#N 1626a_100000734998_100000210198 [0,2,0,0,0,0|1,0,1]=4 2989 B8R0.8 CC(C)C(=O)NCC#N 527a_100000734998_100000210198 [0,2,0,0,0,0|1,0,1]=4 2990 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,2,0,0,0,0|1,0,0]=3 2991 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,2,0,0,0,0|1,0,0]=3 2992 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,2,0,0,0,0|1,0,0]=3 2993 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,2,0,0,0,0|1,0,0]=3 2994 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,2,0,0,0,0|1,0,0]=3 2995 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,2,0,0,0,0|1,0,0]=3 2996 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,2,0,0,0,0|2,0,0]=4 2997 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,2,0,0,0,0|2,0,0]=4 2998 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,2,0,0,0,0|2,0,0]=4 2999 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,2,0,0,0,0|2,0,0]=4 3000 B8R0.8 CC(F)C(=O)NCC#N 1626a_100000734998_100000062450 [0,2,0,0,0,0|1,0,1]=4 3001 B8R0.8 CC(F)C(=O)NCC#N 527a_100000734998_100000062450 [0,2,0,0,0,0|1,0,1]=4 3002 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,2,0,0,0,0|1,0,0]=3 3003 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,2,0,0,0,0|1,0,0]=3 3004 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,2,0,0,0,0|1,0,0]=3 3005 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,2,0,0,0,0|1,0,0]=3 3006 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,2,0,0,0,0|1,0,0]=3 3007 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,2,0,0,0,0|1,0,0]=3 3008 B8R0.8 CC=NNC(=O)C(C)C 4a_100000184118_200000210099 [0,2,0,0,0,0|1,0,1]=4 3009 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [0,2,0,0,0,0|2,0,0]=4 3010 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,2,0,0,0,0|2,0,0]=4 3011 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [0,2,0,0,0,0|2,0,0]=4 3012 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [0,2,0,0,0,0|2,0,0]=4 3013 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [0,2,0,0,0,0|2,0,0]=4 3014 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,2,0,0,0,0|2,0,0]=4 3015 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,2,0,0,0,0|2,0,0]=4 3016 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,2,0,0,0,0|2,0,0]=4 3017 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,2,0,0,0,0|2,0,0]=4 3018 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,2,0,0,0,0|2,0,0]=4 3019 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,2,0,0,0,0|2,0,0]=4 3020 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,2,0,0,0,0|2,0,0]=4 3021 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,2,0,0,0,0|2,0,0]=4 3022 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,2,0,0,0,0|2,0,0]=4 3023 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,2,0,0,0,0|1,0,0]=3 3024 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,2,0,0,0,0|2,0,0]=4 3025 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,2,0,0,0,0|1,0,0]=3 3026 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,2,0,0,0,0|1,0,0]=3 3027 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,2,0,0,0,0|1,0,0]=3 3028 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,2,0,0,0,0|1,0,0]=3 3029 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,2,0,0,0,0|1,0,0]=3 3030 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,2,0,0,0,0|1,0,0]=3 3031 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,2,0,0,0,0|1,0,0]=3 3032 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,2,0,0,0,0|1,0,0]=3 3033 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,2,0,0,0,0|1,0,0]=3 3034 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [0,2,0,0,0,0|2,0,0]=4 3035 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [0,2,0,0,0,0|2,0,0]=4 3036 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [0,2,0,0,0,0|2,0,0]=4 3037 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [0,2,0,0,0,0|2,0,0]=4 3038 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,2,0,0,0,0|2,0,0]=4 3039 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,2,0,0,0,0|1,0,0]=3 3040 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,2,0,0,0,0|1,0,0]=3 3041 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,2,0,0,0,0|1,0,0]=3 3042 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,2,0,0,0,0|1,0,0]=3 3043 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,2,0,0,0,0|1,0,0]=3 3044 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [0,2,0,0,0,0|1,0,0]=3 3045 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [0,2,0,0,0,0|1,0,0]=3 3046 B8R0.8 CCNN=C(C)C(C)C 4a_100000756455_100000211110 [0,2,0,0,0,0|2,0,0]=4 3047 B8R0.8 CCNN=C(C)C(C)O 4a_100000756455_100000212229 [0,2,0,0,0,0|2,0,0]=4 3048 B8R0.8 CCNNC(=O)C(=O)N 22a_100000756455_100011215815 [0,2,0,0,0,0|2,0,0]=4 3049 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [0,2,0,0,0,0|1,0,0]=3 3050 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [0,2,0,0,0,0|1,0,0]=3 3051 B8R0.8 CCNNC(=O)C(F)F 22a_100000756455_100000210393 [0,2,0,0,0,0|2,0,0]=4 3052 B8R0.8 CCNNC(=O)C(O)O 22a_100000756455_100000233687 [0,2,0,0,0,0|2,0,0]=4 3053 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,2,0,0,0,0|1,0,0]=3 3054 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,2,0,0,0,0|1,0,0]=3 3055 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,2,0,0,0,0|2,0,0]=4 3056 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,2,0,0,0,0|2,0,0]=4 3057 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,2,0,0,0,0|2,0,0]=4 3058 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,2,0,0,0,0|2,0,0]=4 3059 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,2,0,0,0,0|2,0,0]=4 3060 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,2,0,0,0,0|2,0,0]=4 3061 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,2,0,0,0,0|2,0,0]=4 3062 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,2,0,0,0,0|2,0,0]=4 3063 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,2,0,0,0,0|2,0,0]=4 3064 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,2,0,0,0,0|2,0,0]=4 3065 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,2,0,0,0,0|2,0,0]=4 3066 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,2,0,0,0,0|2,0,0]=4 3067 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,2,0,0,0,0|2,0,0]=4 3068 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [0,2,0,0,0,0|2,0,0]=4 3069 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [0,2,0,0,0,0|2,0,0]=4 3070 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [0,2,0,0,0,0|2,0,0]=4 3071 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [0,2,0,0,0,0|2,0,0]=4 3072 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [0,2,0,0,0,0|2,0,0]=4 3073 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [0,2,0,0,0,0|2,0,0]=4 3074 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,2,0,0,0,0|2,0,0]=4 3075 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,2,0,0,0,0|2,0,0]=4 3076 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,2,0,0,0,0|2,0,0]=4 3077 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,2,0,0,0,0|2,0,0]=4 3078 B8R0.8 CN(C)C(=O)NCC#N 2708a_100000734998_100102631434 [0,2,0,0,0,0|1,0,1]=4 3079 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,2,0,0,0,0|2,0,0]=4 3080 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,2,0,0,0,0|2,0,0]=4 3081 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,2,0,0,0,0|2,0,0]=4 3082 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,2,0,0,0,0|2,0,0]=4 3083 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,2,0,0,0,0|2,0,0]=4 3084 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,2,0,0,0,0|2,0,0]=4 3085 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,2,0,0,0,0|2,0,0]=4 3086 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,2,0,0,0,0|2,0,0]=4 3087 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,2,0,0,0,0|2,0,0]=4 3088 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,2,0,0,0,0|2,0,0]=4 3089 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,2,0,0,0,0|2,0,0]=4 3090 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,2,0,0,0,0|2,0,0]=4 3091 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,2,0,0,0,0|2,0,0]=4 3092 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,2,0,0,0,0|2,0,0]=4 3093 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,2,0,0,0,0|2,0,0]=4 3094 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,2,0,0,0,0|2,0,0]=4 3095 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,2,0,0,0,0|2,0,0]=4 3096 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,2,0,0,0,0|2,0,0]=4 3097 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,2,0,0,0,0|2,0,0]=4 3098 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,2,0,0,0,0|2,0,0]=4 3099 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,2,0,0,0,0|2,0,0]=4 3100 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,2,0,0,0,0|2,0,0]=4 3101 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,2,0,0,0,0|2,0,0]=4 3102 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,2,0,0,0,0|2,0,0]=4 3103 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,2,0,0,0,0|2,0,0]=4 3104 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,2,0,0,0,0|2,0,0]=4 3105 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,2,0,0,0,0|2,0,0]=4 3106 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,2,0,0,0,0|2,0,0]=4 3107 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,2,0,0,0,0|1,0,0]=3 3108 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,2,0,0,0,0|1,0,0]=3 3109 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,2,0,0,0,0|2,0,0]=4 3110 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,2,0,0,0,0|2,0,0]=4 3111 B8R0.8 C[C@H](O)C(=O)NCC#N 1626a_100000734998_217856618621 [0,2,0,0,0,0|1,0,1]=4 3112 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,2,0,0,0,0|1,0,0]=3 3113 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,2,0,0,0,0|1,0,0]=3 3114 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,2,0,0,0,0|1,0,0]=3 3115 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [0,2,0,0,0,0|2,0,0]=4 3116 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,2,0,0,0,0|2,0,0]=4 3117 B8R0.8 O=C(NCCF)C(F)F 11a_100000724931_100000210393 [0,2,0,0,0,0|2,0,0]=4 3118 B8R0.8 O=C(NCCF)C(F)F 1626a_100000724931_100000210393 [0,2,0,0,0,0|2,0,0]=4 3119 B8R0.8 O=C(NCCF)C(F)F 240690a_100000724931_100000210393 [0,2,0,0,0,0|2,0,0]=4 3120 B8R0.8 O=C(NCCF)C(F)F 527a_100000724931_100000210393 [0,2,0,0,0,0|2,0,0]=4 3121 B8R0.8 O=C(NCCF)C(O)O 240690a_100000724931_100000233687 [0,2,0,0,0,0|2,0,0]=4 3122 B8R0.8 O=C(NCCO)C(F)F 240690a_100000210304_100000210393 [0,2,0,0,0,0|2,0,0]=4 3123 B8R0.8 O=C(NCCO)C(F)F 527a_100000210304_100000210393 [0,2,0,0,0,0|2,0,0]=4 3124 B8R0.8 O=C(NCCO)C(O)O 240690a_100000210304_100000233687 [0,2,0,0,0,0|2,0,0]=4 3125 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,2,0,0,0,0|2,0,0]=4 3126 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,2,0,0,0,0|2,0,0]=4 3127 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,2,0,0,0,0|2,0,0]=4 3128 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,2,0,0,0,0|2,0,0]=4 3129 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,2,0,0,0,0|2,0,0]=4 3130 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,2,0,0,0,0|2,0,0]=4 3131 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,2,0,0,0,0|1,0,0]=3 3132 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,2,0,0,0,0|1,0,0]=3 3133 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,2,0,0,0,0|1,0,0]=3 3134 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,2,0,0,0,0|1,0,0]=3 3135 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,2,0,0,0,0|2,0,0]=4 3136 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,2,0,0,0,0|2,0,0]=4 3137 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,2,0,0,0,0|1,0,0]=3 3138 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,2,0,0,0,0|1,0,0]=3 3139 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,2,0,0,0,0|1,0,0]=3 3140 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,2,0,0,0,0|1,0,0]=3 3141 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,2,0,0,0,0|1,0,0]=3 3142 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,2,0,0,0,0|1,0,0]=3 3143 B8R0.9 C=CC(=O)NCC(=C)C 1626a_100000765925_100000185746 [0,2,0,0,0,0|1,0,1]=4 3144 B8R0.9 C=CC(=O)NCC(=C)C 240690a_100000765925_200121576911 [0,2,0,0,0,0|1,0,1]=4 3145 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [0,2,0,0,0,0|1,0,1]=4 3146 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [0,2,0,0,0,0|1,0,1]=4 3147 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,2,0,0,0,0|1,0,1]=4 3148 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,2,0,0,0,0|1,0,1]=4 3149 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [0,2,0,0,0,0|1,0,1]=4 3150 B8R0.9 C=CC(=O)NCC(F)F 1626a_100000765723_100000185746 [0,2,0,0,0,0|1,0,1]=4 3151 B8R0.9 C=CC(=O)NCC(F)F 240690a_100000765723_200121576911 [0,2,0,0,0,0|1,0,1]=4 3152 B8R0.9 C=CC(=O)NNC(C)C 22a_100000741168_100000185746 [0,2,0,0,0,0|1,0,1]=4 3153 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,2,0,0,0,0|2,0,0]=4 3154 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,2,0,0,0,0|2,0,0]=4 3155 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [0,2,0,0,0,0|2,0,0]=4 3156 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,2,0,0,0,0|2,0,0]=4 3157 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,2,0,0,0,0|2,0,0]=4 3158 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,2,0,0,0,0|2,0,0]=4 3159 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,2,0,0,0,0|2,0,0]=4 3160 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,2,0,0,0,0|2,0,0]=4 3161 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,2,0,0,0,0|2,0,0]=4 3162 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,2,0,0,0,0|2,0,0]=4 3163 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,2,0,0,0,0|1,0,1]=4 3164 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,2,0,0,0,0|2,0,0]=4 3165 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,2,0,0,0,0|2,0,0]=4 3166 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,2,0,0,0,0|2,0,0]=4 3167 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,2,0,0,0,0|2,0,0]=4 3168 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,2,0,0,0,0|2,0,0]=4 3169 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,2,0,0,0,0|1,0,0]=3 3170 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,2,0,0,0,0|1,0,1]=4 3171 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,2,0,0,0,0|1,0,1]=4 3172 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,2,0,0,0,0|1,0,1]=4 3173 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,2,0,0,0,0|1,0,0]=3 3174 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,2,0,0,0,0|1,0,0]=3 3175 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,2,0,0,0,0|1,0,0]=3 3176 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,2,0,0,0,0|1,0,0]=3 3177 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,2,0,0,0,0|1,0,0]=3 3178 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,2,0,0,0,0|1,0,0]=3 3179 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,2,0,0,0,0|1,0,0]=3 3180 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,2,0,0,0,0|1,0,0]=3 3181 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [0,2,0,0,0,0|1,0,0]=3 3182 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [0,2,0,0,0,0|1,0,0]=3 3183 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [0,2,0,0,0,0|1,0,0]=3 3184 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [0,2,0,0,0,0|1,0,0]=3 3185 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,2,0,0,0,0|1,0,1]=4 3186 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,2,0,0,0,0|1,0,1]=4 3187 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,2,0,0,0,0|1,0,0]=3 3188 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,2,0,0,0,0|2,0,0]=4 3189 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,2,0,0,0,0|2,0,0]=4 3190 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,2,0,0,0,0|2,0,0]=4 3191 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,2,0,0,0,0|2,0,0]=4 3192 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,2,0,0,0,0|2,0,0]=4 3193 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,2,0,0,0,0|2,0,0]=4 3194 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,2,0,0,0,0|2,0,0]=4 3195 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,2,0,0,0,0|2,0,0]=4 3196 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,2,0,0,0,0|2,0,0]=4 3197 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,2,0,0,0,0|2,0,0]=4 3198 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,2,0,0,0,0|2,0,0]=4 3199 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,2,0,0,0,0|2,0,0]=4 3200 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,2,0,0,0,0|2,0,0]=4 3201 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,2,0,0,0,0|2,0,0]=4 3202 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,2,0,0,0,0|2,0,0]=4 3203 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,2,0,0,0,0|2,0,0]=4 3204 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,2,0,0,0,0|2,0,0]=4 3205 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,2,0,0,0,0|2,0,0]=4 3206 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,2,0,0,0,0|2,0,0]=4 3207 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,2,0,0,0,0|2,0,0]=4 3208 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,2,0,0,0,0|2,0,0]=4 3209 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,2,0,0,0,0|2,0,0]=4 3210 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,2,0,0,0,0|1,0,1]=4 3211 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,2,0,0,0,0|1,0,1]=4 3212 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,2,0,0,0,0|1,0,1]=4 3213 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,2,0,0,0,0|1,0,1]=4 3214 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,2,0,0,0,0|1,0,1]=4 3215 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,2,0,0,0,0|1,0,1]=4 3216 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,2,0,0,0,0|1,0,1]=4 3217 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,2,0,0,0,0|1,0,0]=3 3218 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,2,0,0,0,0|1,0,0]=3 3219 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,2,0,0,0,0|1,0,0]=3 3220 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,2,0,0,0,0|2,0,0]=4 3221 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,2,0,0,0,0|2,0,0]=4 3222 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,2,0,0,0,0|2,0,0]=4 3223 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,2,0,0,0,0|2,0,0]=4 3224 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,2,0,0,0,0|2,0,0]=4 3225 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,2,0,0,0,0|2,0,0]=4 3226 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,2,0,0,0,0|2,0,0]=4 3227 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,2,0,0,0,0|2,0,0]=4 3228 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,2,0,0,0,0|2,0,0]=4 3229 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,2,0,0,0,0|2,0,0]=4 3230 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,2,0,0,0,0|2,0,0]=4 3231 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,2,0,0,0,0|2,0,0]=4 3232 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [0,2,0,0,0,0|1,0,1]=4 3233 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [0,2,0,0,0,0|1,0,1]=4 3234 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [0,2,0,0,0,0|1,0,1]=4 3235 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [0,2,0,0,0,0|1,0,1]=4 3236 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,2,0,0,0,0|1,0,0]=3 3237 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,2,0,0,0,0|1,0,0]=3 3238 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,2,0,0,0,0|1,0,0]=3 3239 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,2,0,0,0,0|1,0,0]=3 3240 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,2,0,0,0,0|1,0,0]=3 3241 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,2,0,0,0,0|1,0,0]=3 3242 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,2,0,0,0,0|1,0,0]=3 3243 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,2,0,0,0,0|1,0,0]=3 3244 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,2,0,0,0,0|1,0,0]=3 3245 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,2,0,0,0,0|1,0,0]=3 3246 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,2,0,0,0,0|1,0,0]=3 3247 B8R0.9 CNC(=O)NCC(F)F 2708a_100102657272_100000765723 [0,2,0,0,0,0|1,0,0]=3 3248 B8R0.9 CNC(=O)NCC(F)F 273464a_100000765723_100102657272 [0,2,0,0,0,0|1,0,0]=3 3249 B8R0.9 CNC(=O)NCC(F)F 273464a_100102657272_100000765723 [0,2,0,0,0,0|1,0,0]=3 3250 B8R0.9 CNC(=O)NCC(F)F 512a_100000765723_100102657272 [0,2,0,0,0,0|1,0,0]=3 3251 B8R0.9 CNC(=O)NCC(F)F 512a_106832991638_100000765723 [0,2,0,0,0,0|1,0,0]=3 3252 B8R0.9 CNC(=O)NNC(=O)C 273464a_100102657272_100000189765 [0,2,0,0,0,0|1,0,1]=4 3253 B8R0.9 CNC(=O)NNC(=O)C 512a_100000189765_100102657272 [0,2,0,0,0,0|1,0,1]=4 3254 B8R0.9 CNC(=O)NNC(C)C 273464a_100102657272_100000741168 [0,2,0,0,0,0|1,0,0]=3 3255 B8R0.9 CNC(=O)NNC(C)C 512a_100000741168_100102657272 [0,2,0,0,0,0|1,0,0]=3 3256 B8R0.9 CNC(=O)NNC(C)C 512a_106832991638_100000741168 [0,2,0,0,0,0|1,0,0]=3 3257 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,2,0,0,0,0|1,0,0]=3 3258 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,2,0,0,0,0|1,0,0]=3 3259 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,2,0,0,0,0|1,0,0]=3 3260 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,2,0,0,0,0|1,0,0]=3 3261 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,2,0,0,0,0|1,0,0]=3 3262 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,2,0,0,0,0|1,0,0]=3 3263 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,2,0,0,0,0|0,0,1]=3 3264 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,2,0,0,0,0|0,0,0]=2 3265 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,2,0,0,0,0|0,0,0]=2 3266 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,2,0,0,0,0|1,0,0]=3 3267 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,2,0,0,0,0|1,0,0]=3 3268 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,2,0,0,0,0|1,0,0]=3 3269 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,2,0,0,0,0|0,0,0]=2 3270 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,2,0,0,0,0|0,0,0]=2 3271 B8R0.9 CO[C@H](C)CNC(C)C 2230a_100020591295_100000210206 [0,2,0,0,0,0|1,0,1]=4 3272 B8R0.9 O=C(CO)NCC(F)F 240690a_100000765723_100000210174 [0,2,0,0,0,0|2,0,0]=4 3273 B8R0.9 O=C(CO)NCC(F)F 527a_100000765723_100000210174 [0,2,0,0,0,0|2,0,0]=4 3274 B8R0.11 C=CC(=NNCC)CC 4a_100000756455_100000747743 [0,2,0,0,0,0|2,0,0]=4 3275 B8R0.11 CCNCC(OC)OC 2230a_100015525214_100000751394 [0,2,0,0,0,0|0,0,2]=4 3276 B8R0.11 CCNCC(OC)OC 270004a_100015525214_100000752162 [0,2,0,0,0,0|0,0,2]=4 3277 B8R0.11 CCNN=C(CC)CC 4a_100000756455_100000210860 [0,2,0,0,0,0|2,0,0]=4 3278 B8R0.11 CCNN=C(CC)CO 4a_100000756455_100000725409 [0,2,0,0,0,0|1,0,1]=4 3279 B8R0.25 CCCNS(=O)(=O)CC 270084a_100020643023_100000211323 [0,2,0,0,0,0|2,0,0]=4 3280 B8R0.25 CCCNS(=O)(=O)CC 274078a_100020643023_100000211323 [0,2,0,0,0,0|2,0,0]=4 3281 B8R0.25 CCCNS(=O)(=O)CC 40a_100020643023_100000053943 [0,2,0,0,0,0|2,0,0]=4 3282 B8R0.25 CCNCC(C)(C)OC 2230a_100000763424_100000210202 [0,2,0,0,0,0|1,0,1]=4 3283 B8R0.25 CCNNS(=O)(=O)CC 40a_100000756455_100000053943 [0,2,0,0,0,0|2,0,0]=4 3284 B8R0.25 CCS(=O)(=O)NCCF 270084a_100000724931_100000211323 [0,2,0,0,0,0|2,0,0]=4 3285 B8R0.25 CCS(=O)(=O)NCCF 274078a_100000724931_100000211323 [0,2,0,0,0,0|2,0,0]=4 3286 B8R0.25 CCS(=O)(=O)NCCF 40a_100000724931_100000053943 [0,2,0,0,0,0|2,0,0]=4 3287 B8R0.25 CCS(=O)(=O)NCCO 270084a_100000210304_100000211323 [0,2,0,0,0,0|2,0,0]=4 3288 B8R0.25 CCS(=O)(=O)NCCO 274078a_100000210304_100000211323 [0,2,0,0,0,0|2,0,0]=4 3289 B8R0.25 CCS(=O)(=O)NCCO 40a_100000210304_100000053943 [0,2,0,0,0,0|2,0,0]=4 3290 B8R0.12 CCNS(=O)(=O)C(C)C 270084a_100015525214_100000742656 [0,2,0,0,0,0|2,0,0]=4 3291 B8R0.12 CCNS(=O)(=O)C(C)C 274078a_100015525214_100000742656 [0,2,0,0,0,0|2,0,0]=4 3292 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [0,2,0,0,0,0|2,0,0]=4 3293 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [0,2,0,0,0,0|2,0,0]=4 3294 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [0,2,0,0,0,0|2,0,0]=4 3295 B8R0.14 CCNC(=O)C(C)(C)C 11a_100015525214_106744555173 [0,2,0,0,0,0|1,0,0]=3 3296 B8R0.14 CCNC(=O)C(C)(C)C 240690a_100015525214_106744555173 [0,2,0,0,0,0|1,0,0]=3 3297 B8R0.14 CCNC(=O)C(C)(C)C 527a_100015525214_106744555173 [0,2,0,0,0,0|1,0,0]=3 3298 B8R0.14 CCNC(=O)C(C)(C)F 11a_100015525214_100000765255 [0,2,0,0,0,0|1,0,0]=3 3299 B8R0.14 CCNC(=O)C(C)(C)F 240690a_100015525214_100000765255 [0,2,0,0,0,0|1,0,0]=3 3300 B8R0.14 CCNC(=O)C(C)(C)F 527a_100015525214_100000765255 [0,2,0,0,0,0|1,0,0]=3 3301 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [0,2,0,0,0,0|1,0,0]=3 3302 B8R0.14 CCNC(=O)C(C)(F)F 11a_100015525214_100000042251 [0,2,0,0,0,0|1,0,0]=3 3303 B8R0.14 CCNC(=O)C(C)(F)F 240690a_100015525214_100000042251 [0,2,0,0,0,0|1,0,0]=3 3304 B8R0.14 CCNC(=O)C(C)(F)F 527a_100015525214_100000042251 [0,2,0,0,0,0|1,0,0]=3 3305 B8R0.14 CCNC(=O)C(F)(F)F 11a_100015525214_100015355933 [0,2,0,0,0,0|2,0,0]=4 3306 B8R0.14 CCNC(=O)C(F)(F)F 240690a_100015525214_100015355933 [0,2,0,0,0,0|2,0,0]=4 3307 B8R0.14 CCNC(=O)C(F)(F)F 527a_100015525214_100000210220 [0,2,0,0,0,0|2,0,0]=4 3308 B8R0.14 CNNC(=O)C(C)(C)C 22a_100016993582_106744555173 [0,2,0,0,0,0|2,0,0]=4 3309 B8R0.14 CNNC(=O)C(C)(C)F 22a_100016993582_100000765255 [0,2,0,0,0,0|2,0,0]=4 3310 B8R0.14 CNNC(=O)C(C)(C)O 22a_100016993582_100000242741 [0,2,0,0,0,0|2,0,0]=4 3311 B8R0.14 CNNC(=O)C(C)(F)F 22a_100016993582_100000042251 [0,2,0,0,0,0|2,0,0]=4 3312 B8R0.14 [2H]C([2H])([2H])C(=O)NCC 11a_100015525214_200015216371 [0,2,0,0,0,0|2,0,0]=4 3313 B8R0.14 [2H]C([2H])([2H])C(=O)NCC 240690a_100015525214_200015216371 [0,2,0,0,0,0|2,0,0]=4 3314 B8R0.14 [2H]C([2H])([2H])C(=O)NCC 527a_100015525214_200015216371 [0,2,0,0,0,0|2,0,0]=4 3315 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,2,0,0,0,0|1,0,1]=4 3316 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,2,0,0,0,0|1,0,1]=4 3317 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,2,0,0,0,0|1,0,1]=4 3318 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,2,0,0,0,0|1,0,1]=4 3319 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,2,0,0,0,0|1,0,1]=4 3320 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,2,0,0,0,0|1,0,1]=4 3321 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,2,0,0,0,0|1,0,1]=4 3322 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,2,0,0,0,0|1,0,1]=4 3323 B8R0.22 CCNC(CC)COC 2230a_100000757820_100000210202 [0,2,0,0,0,0|1,0,1]=4 3324 B8R0.22 CCNC(CC)COC 270004a_100015525214_100000757811 [0,2,0,0,0,0|1,0,1]=4 3325 B8R0.22 CCNC(CO)COC 2230a_100000724102_100000210202 [0,2,0,0,0,0|0,0,2]=4 3326 B8R0.22 CCNC(CO)COC 34a_100000724102_100000210202 [0,2,0,0,0,0|0,0,2]=4 3327 B8R0.30 CCCS(=O)(=O)NCC 270084a_100015525214_100000211391 [0,2,0,0,0,0|2,0,0]=4 3328 B8R0.30 CCCS(=O)(=O)NCC 274078a_100015525214_100000211391 [0,2,0,0,0,0|2,0,0]=4 3329 B8R0.30 CCCS(=O)(=O)NCC 40a_100015525214_100000054278 [0,2,0,0,0,0|2,0,0]=4 3330 B8R0.30 CCNC(C)(C)COC 2230a_100000752728_100000210202 [0,2,0,0,0,0|1,0,1]=4 3331 B8R0.30 CCNC(C)(C)COC 7a_100000747347_200000210301 [0,2,0,0,0,0|1,0,1]=4 3332 B8R0.30 CCNC(C)(C)CO[13CH3] 7a_100000747347_200025704644 [0,2,0,0,0,0|1,0,1]=4 3333 B8R0.30 CCNS(=O)(=O)CCBr 270084a_100015525214_100000731045 [0,2,0,0,0,0|2,0,0]=4 3334 B8R0.30 CCNS(=O)(=O)CCBr 274078a_100015525214_100000731045 [0,2,0,0,0,0|2,0,0]=4 3335 B8R0.30 CCNS(=O)(=O)CCCl 270084a_100015525214_100000184613 [0,2,0,0,0,0|2,0,0]=4 3336 B8R0.30 CCNS(=O)(=O)CCCl 274078a_100015525214_100000184613 [0,2,0,0,0,0|2,0,0]=4 3337 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [0,2,0,0,0,0|2,0,0]=4 3338 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [0,2,0,0,0,0|2,0,0]=4 3339 B8R0.13 CCC(=O)C(F)(F)CC 1458a_100000061896_100000210202 [0,2,0,0,0,0|2,0,0]=4 3340 B8R0.13 CCC(C)(C)C(=O)NC 11a_106832991635_100000749717 [0,2,0,0,0,0|2,0,0]=4 3341 B8R0.13 CCC(C)(C)C(=O)NC 1626a_100102657272_100000749717 [0,2,0,0,0,0|2,0,0]=4 3342 B8R0.13 CCC(C)(C)C(=O)NC 240690a_100102657272_100000749717 [0,2,0,0,0,0|2,0,0]=4 3343 B8R0.13 CCC(C)(C)C(=O)NC 527a_100102657272_100000749717 [0,2,0,0,0,0|2,0,0]=4 3344 B8R0.13 CCC(C)(O)C(=O)NC 240690a_100102657272_100011219770 [0,2,0,0,0,0|2,0,0]=4 3345 B8R0.13 CCC(F)(F)C(=O)NC 11a_106832991635_100000061896 [0,2,0,0,0,0|2,0,0]=4 3346 B8R0.13 CCC(F)(F)C(=O)NC 1626a_100102657272_100000061896 [0,2,0,0,0,0|2,0,0]=4 3347 B8R0.13 CCC(F)(F)C(=O)NC 240690a_100102657272_100000061896 [0,2,0,0,0,0|2,0,0]=4 3348 B8R0.13 CCC(F)(F)C(=O)NC 527a_100102657272_100000061896 [0,2,0,0,0,0|2,0,0]=4 3349 B8R0.13 CCN(C)S(=O)(=O)CC 270084a_100000225621_100000211323 [0,2,0,0,0,0|2,0,0]=4 3350 B8R0.13 CCN(C)S(=O)(=O)CC 274078a_100000225621_100000211323 [0,2,0,0,0,0|2,0,0]=4 3351 B8R0.13 CCN(C)S(=O)(=O)CC 40a_100000225621_100000053943 [0,2,0,0,0,0|2,0,0]=4 3352 B8R0.13 CNC(C)(C)C(=O)OC 2230a_106832991635_100000689032 [0,2,0,0,0,0|2,0,0]=4 3353 B8R0.13 CNC(C)(F)C(=O)OC 2230a_106832991635_200009867631 [0,2,0,0,0,0|2,0,0]=4 3354 B8R0.13 CNC(C)(F)C(=O)OC 34a_100102657272_200009867631 [0,2,0,0,0,0|2,0,0]=4 3355 B8R0.13 CNC(F)(F)C(=O)OC 34a_100102657272_100000211177 [0,2,0,0,0,0|2,0,0]=4 3356 B8R0.13 CNC(F)(F)C(=O)OC 7a_106832991635_100000211177 [0,2,0,0,0,0|2,0,0]=4 3357 B8R0.13 COC(=O)C(C)(C)OC 34a_100011217581_200000210301 [0,2,0,0,0,0|2,0,0]=4 3358 B8R0.13 COC(=O)C(C)(C)OC 7a_100011217581_200000210301 [0,2,0,0,0,0|2,0,0]=4 3359 B8R0.13 COC(=O)C(C)(C)O[13CH3] 34a_100011217581_200025704644 [0,2,0,0,0,0|2,0,0]=4 3360 B8R0.13 COC(=O)C(C)(C)O[13CH3] 7a_100011217581_200025704644 [0,2,0,0,0,0|2,0,0]=4 3361 B8R0.13 COC(=O)C(C)(C)SC 62a_100000689032_200000210301 [0,2,0,0,0,0|2,0,0]=4 3362 B8R0.13 COC(=O)C(C)(C)SC 62a_200000210301_100000689032 [0,2,0,0,0,0|2,0,0]=4 3363 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_100000689032_200025704644 [0,2,0,0,0,0|2,0,0]=4 3364 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000689032 [0,2,0,0,0,0|2,0,0]=4 3365 B8R0.13 COC(=O)C(C)(F)OC 34a_100138415774_200009867631 [0,2,0,0,0,0|2,0,0]=4 3366 B8R0.13 COC(=O)C(C)(F)SC 62a_200000210301_200009867631 [0,2,0,0,0,0|2,0,0]=4 3367 B8R0.13 COC(=O)C(C)(F)SC 62a_200009867631_200000210301 [0,2,0,0,0,0|2,0,0]=4 3368 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200009867631_200025704644 [0,2,0,0,0,0|2,0,0]=4 3369 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200025704644_200009867631 [0,2,0,0,0,0|2,0,0]=4 3370 B8R0.13 COC(=O)C(F)(F)OC 34a_100138415774_100000211177 [0,2,0,0,0,0|2,0,0]=4 3371 B8R0.13 COC(=O)C(F)(F)SC 62a_100000211177_200000210301 [0,2,0,0,0,0|2,0,0]=4 3372 B8R0.13 COC(=O)C(F)(F)SC 62a_200000210301_100000211177 [0,2,0,0,0,0|2,0,0]=4 3373 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_100000211177_200025704644 [0,2,0,0,0,0|2,0,0]=4 3374 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000211177 [0,2,0,0,0,0|2,0,0]=4 3375 B8R0.20 C=CC(=O)N(CC)CC 1626a_100000724800_100000185746 [0,2,0,0,0,0|1,0,1]=4 3376 B8R0.20 C=CC(=O)N(CC)CC 240690a_100000724800_200121576911 [0,2,0,0,0,0|1,0,1]=4 3377 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,2,0,0,0,0|2,0,0]=4 3378 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,2,0,0,0,0|2,0,0]=4 3379 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,2,0,0,0,0|2,0,0]=4 3380 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,2,0,0,0,0|2,0,0]=4 3381 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,2,0,0,0,0|2,0,0]=4 3382 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,2,0,0,0,0|2,0,0]=4 3383 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,2,0,0,0,0|2,0,0]=4 3384 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [0,2,0,0,0,0|1,0,0]=3 3385 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [0,2,0,0,0,0|1,0,0]=3 3386 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [0,2,0,0,0,0|1,0,0]=3 3387 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [0,2,0,0,0,0|1,0,0]=3 3388 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [0,2,0,0,0,0|2,0,0]=4 3389 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [0,2,0,0,0,0|2,0,0]=4 3390 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [0,2,0,0,0,0|2,0,0]=4 3391 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [0,2,0,0,0,0|2,0,0]=4 3392 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,2,0,0,0,0|1,0,0]=3 3393 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,2,0,0,0,0|1,0,0]=3 3394 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,2,0,0,0,0|1,0,0]=3 3395 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [0,2,0,0,0,0|2,0,0]=4 3396 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [0,2,0,0,0,0|2,0,0]=4 3397 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [0,2,0,0,0,0|2,0,0]=4 3398 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [0,2,0,0,0,0|2,0,0]=4 3399 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,2,0,0,0,0|1,0,0]=3 3400 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,2,0,0,0,0|1,0,0]=3 3401 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,2,0,0,0,0|1,0,0]=3 3402 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,2,0,0,0,0|1,0,0]=3 3403 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,2,0,0,0,0|1,0,0]=3 3404 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,2,0,0,0,0|1,0,0]=3 3405 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,2,0,0,0,0|1,0,0]=3 3406 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,2,0,0,0,0|1,0,0]=3 3407 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,2,0,0,0,0|1,0,0]=3 3408 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [0,2,0,0,0,0|2,0,0]=4 3409 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [0,2,0,0,0,0|2,0,0]=4 3410 B8R0.20 CCN(CC)C(=O)NC 2708a_100102657272_100000724800 [0,2,0,0,0,0|1,0,0]=3 3411 B8R0.20 CCN(CC)C(=O)NC 273464a_100102657272_100000724800 [0,2,0,0,0,0|1,0,0]=3 3412 B8R0.20 CCN(CC)C(C)OC 269956a_100000042499_100009879195 [0,2,0,0,0,0|1,0,1]=4 3413 B8R0.20 CCN(CC)C(C)OC 269982a_100000724800_100009879195 [0,2,0,0,0,0|1,0,1]=4 3414 B8R0.20 CC[C@H](NC)C(=O)NC 2230a_106657271573_200000210301 [0,2,0,0,0,0|2,0,0]=4 3415 B8R0.20 CC[C@H](NC)C(=O)NC 34a_106657271573_200000210301 [0,2,0,0,0,0|2,0,0]=4 3416 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 2230a_106657271573_200025704644 [0,2,0,0,0,0|2,0,0]=4 3417 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 34a_106657271573_200025704644 [0,2,0,0,0,0|2,0,0]=4 3418 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,2,0,0,0,0|2,0,0]=4 3419 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [0,2,0,0,0,0|2,0,0]=4 3420 B8R0.20 CNC(OC)C(=O)OC 34a_100102657272_100000101307 [0,2,0,0,0,0|2,0,0]=4 3421 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [0,2,0,0,0,0|2,0,0]=4 3422 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [0,2,0,0,0,0|2,0,0]=4 3423 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [0,2,0,0,0,0|2,0,0]=4 3424 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [0,2,0,0,0,0|2,0,0]=4 3425 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [0,2,0,0,0,0|2,0,0]=4 3426 B8R0.20 COC(=O)C(CN)OC 34a_100000695228_200000210301 [0,2,0,0,0,0|2,0,0]=4 3427 B8R0.20 COC(=O)C(CN)O[13CH3] 34a_100000695228_200025704644 [0,2,0,0,0,0|2,0,0]=4 3428 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [0,2,0,0,0,0|2,0,0]=4 3429 B8R0.20 COC(=O)C(CO)SC 62a_100012276630_200000210301 [0,2,0,0,0,0|2,0,0]=4 3430 B8R0.20 COC(=O)C(CO)SC 62a_200000210301_100012276630 [0,2,0,0,0,0|2,0,0]=4 3431 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_100012276630_200025704644 [0,2,0,0,0,0|2,0,0]=4 3432 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_200025704644_100012276630 [0,2,0,0,0,0|2,0,0]=4 3433 B8R0.20 COC(=O)C(OC)OC 34a_100000036821_200000210301 [0,2,0,0,0,0|2,0,0]=4 3434 B8R0.20 COC(=O)C(OC)OC 34a_100138415774_100000101307 [0,2,0,0,0,0|2,0,0]=4 3435 B8R0.20 COC(=O)C(OC)O[13CH3] 34a_100000036821_200025704644 [0,2,0,0,0,0|2,0,0]=4 3436 B8R0.20 COC(=O)C(OC)SC 62a_100000101307_200000210301 [0,2,0,0,0,0|2,0,0]=4 3437 B8R0.20 COC(=O)C(OC)SC 62a_200000210301_100000101307 [0,2,0,0,0,0|2,0,0]=4 3438 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_100000101307_200025704644 [0,2,0,0,0,0|2,0,0]=4 3439 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_200025704644_100000101307 [0,2,0,0,0,0|2,0,0]=4 3440 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [1,0,0,1,0,0|1,0,1]=4 3441 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|1,0,0]=3 3442 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|2,0,0]=4 3443 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|1,0,0]=3 3444 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|2,0,0]=4 3445 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [1,0,0,1,0,0|1,0,1]=4 3446 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,1,0,0|1,0,1]=4 3447 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,1,0,0|1,0,1]=4 3448 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,1,0,0|1,0,1]=4 3449 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [1,0,0,1,0,0|1,0,1]=4 3450 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [1,0,0,1,0,0|1,0,1]=4 3451 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,1,0,1,0,0|1,0,0]=3 3452 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,1,0,1,0,0|2,0,0]=4 3453 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,1,0,0|1,0,0]=3 3454 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,1,0,0|2,0,0]=4 3455 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,1,0,1,0,0|2,0,0]=4 3456 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,1,0,0|1,0,0]=3 3457 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,1,0,0|1,0,0]=3 3458 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,1,0,1,0,0|2,0,0]=4 3459 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,1,0,0|2,0,0]=4 3460 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,1,0,1,0,0|2,0,0]=4 3461 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,1,0,0|1,0,0]=3 3462 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,1,0,1,0,0|1,0,0]=3 3463 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,1,0,1,0,0|2,0,0]=4 3464 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,1,0,1,0,0|1,0,0]=3 3465 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,1,0,1,0,0|2,0,0]=4 3466 B8R1.40 C=CC(=O)NC1CC1 1626a_100000212008_100000185746 [0,1,0,1,0,0|1,0,1]=4 3467 B8R1.40 C=CC(=O)NC1CC1 240690a_100000212008_200121576911 [0,1,0,1,0,0|1,0,1]=4 3468 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,1,0,1,0,0|2,0,0]=4 3469 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,1,0,1,0,0|2,0,0]=4 3470 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,1,0,1,0,0|2,0,0]=4 3471 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,1,0,1,0,0|2,0,0]=4 3472 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,1,0,1,0,0|2,0,0]=4 3473 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,1,0,1,0,0|1,0,0]=3 3474 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,1,0,1,0,0|1,0,0]=3 3475 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,1,0,1,0,0|1,0,0]=3 3476 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [0,1,0,1,0,0|2,0,0]=4 3477 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [0,1,0,1,0,0|2,0,0]=4 3478 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [0,1,0,1,0,0|2,0,0]=4 3479 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [0,1,0,1,0,0|2,0,0]=4 3480 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [0,1,0,1,0,0|1,0,0]=3 3481 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [0,1,0,1,0,0|1,0,0]=3 3482 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [0,1,0,1,0,0|1,0,0]=3 3483 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [0,1,0,1,0,0|1,0,0]=3 3484 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [0,1,0,1,0,0|1,0,0]=3 3485 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,1,0,1,0,0|2,0,0]=4 3486 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,1,0,1,0,0|2,0,0]=4 3487 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,1,0,1,0,0|2,0,0]=4 3488 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,1,0,1,0,0|2,0,0]=4 3489 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [0,1,0,1,0,0|2,0,0]=4 3490 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [0,1,0,1,0,0|2,0,0]=4 3491 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [0,1,0,1,0,0|2,0,0]=4 3492 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [0,1,0,1,0,0|2,0,0]=4 3493 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [0,1,0,1,0,0|2,0,0]=4 3494 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [0,1,0,1,0,0|2,0,0]=4 3495 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [0,1,0,1,0,0|1,0,0]=3 3496 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [0,1,0,1,0,0|1,0,0]=3 3497 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [0,1,0,1,0,0|1,0,1]=4 3498 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [0,1,0,1,0,0|1,0,1]=4 3499 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [0,1,0,1,0,0|1,0,1]=4 3500 B8R1.10 CCNN=C1CCC1 4a_100000756455_100000241760 [0,1,0,1,0,0|2,0,0]=4 3501 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|2,0,0]=4 3502 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,1,0,0|2,0,0]=4 3503 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,1,0,0|2,0,0]=4 3504 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [0,1,0,1,0,0|1,0,1]=4 3505 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,1,0,0|2,0,0]=4 3506 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,1,0,0|2,0,0]=4 3507 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,1,0,0|2,0,0]=4 3508 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,1,0,1,0,0|2,0,0]=4 3509 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,1,0,1,0,0|2,0,0]=4 3510 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,1,0,1,0,0|1,0,0]=3 3511 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,1,0,1,0,0|1,0,0]=3 3512 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,1,0,1,0,0|1,0,0]=3 3513 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,1,0,1,0,0|2,0,0]=4 3514 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,1,0,1,0,0|2,0,0]=4 3515 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,1,0,1,0,0|2,0,0]=4 3516 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,1,0,1,0,0|2,0,0]=4 3517 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,1,0,1,0,0|2,0,0]=4 3518 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,1,0,1,0,0|2,0,0]=4 3519 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,1,0,1,0,0|2,0,0]=4 3520 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,1,0,1,0,0|2,0,0]=4 3521 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,1,0,1,0,0|2,0,0]=4 3522 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 3523 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 3524 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 3525 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,1,0,1,0,0|1,0,0]=3 3526 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,1,0,1,0,0|1,0,0]=3 3527 B8R1.38 COC(C)N1CCC1 269982a_100000754969_100009879195 [0,1,0,1,0,0|1,0,1]=4 3528 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,1,0,0|2,0,0]=4 3529 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,1,0,0|2,0,0]=4 3530 B8R1.47 CCN1CC(C1)OC 269982a_100000755009_100000204670 [0,1,0,1,0,0|1,0,1]=4 3531 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,1,0,1,0,0|2,0,0]=4 3532 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,1,0,1,0,0|1,0,0]=3 3533 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [0,1,0,1,0,0|1,0,0]=3 3534 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [0,1,0,1,0,0|1,0,0]=3 3535 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [0,1,0,1,0,0|1,0,0]=3 3536 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,1,0,1,0,0|0,0,0]=2 3537 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,1,0,1,0,0|0,0,0]=2 3538 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,1,0,1,0,0|0,0,0]=2 3539 B8R1.37 CCNC(C)C1CO1 270004a_100015525214_100000031964 [0,1,0,1,0,0|1,0,1]=4 3540 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [0,1,0,1,0,0|2,0,0]=4 3541 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [0,1,0,1,0,0|2,0,0]=4 3542 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [0,1,0,1,0,0|2,0,0]=4 3543 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [0,1,0,1,0,0|2,0,0]=4 3544 B8R1.37 CNNC(=O)C1CO1 22a_100016993582_100000701028 [0,1,0,1,0,0|1,0,0]=3 3545 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [0,1,0,1,0,0|1,0,0]=3 3546 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [0,1,0,1,0,0|1,0,0]=3 3547 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [0,1,0,1,0,0|1,1,0]=4 3548 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [0,1,0,1,0,0|1,1,0]=4 3549 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [0,1,0,1,0,0|2,0,0]=4 3550 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [0,1,0,1,0,0|2,0,0]=4 3551 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [0,1,0,1,0,0|2,0,0]=4 3552 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [0,1,0,1,0,0|2,0,0]=4 3553 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [0,1,0,1,0,0|1,0,0]=3 3554 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [0,1,0,1,0,0|1,1,0]=4 3555 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [0,1,0,1,0,0|1,1,0]=4 3556 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [0,1,0,1,0,0|2,0,0]=4 3557 B8R1.54 CN(C)C(=O)C1CC1 11a_100102631434_100000210395 [0,1,0,1,0,0|2,0,0]=4 3558 B8R1.54 CN(C)C(=O)C1CC1 1626a_100102631434_100000210395 [0,1,0,1,0,0|2,0,0]=4 3559 B8R1.54 CN(C)C(=O)C1CC1 240690a_100102631434_100000210395 [0,1,0,1,0,0|2,0,0]=4 3560 B8R1.54 CN(C)C(=O)C1CC1 527a_100102631434_100000210395 [0,1,0,1,0,0|2,0,0]=4 3561 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [0,1,0,1,0,0|1,0,1]=4 3562 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [0,1,0,1,0,0|1,0,1]=4 3563 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [0,1,0,1,0,0|1,0,1]=4 3564 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [0,1,0,1,0,0|1,0,1]=4 3565 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [0,1,0,1,0,0|1,0,1]=4 3566 B8R1.8 CNCC1=NCCN1 34a_100102657272_100000737910 [0,1,0,1,0,0|2,0,0]=4 3567 B8R1.8 CNCC1=NCCN1 7a_106832991635_100000737910 [0,1,0,1,0,0|2,0,0]=4 3568 B8R1.8 COCC1=NCCN1 34a_100138415774_100000737910 [0,1,0,1,0,0|1,0,0]=3 3569 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [0,1,0,1,0,0|1,0,1]=4 3570 B8R1.8 CSCC1=NCCN1 62a_100000737910_200000210301 [0,1,0,1,0,0|1,1,0]=4 3571 B8R1.8 CSCC1=NCCN1 62a_200000210301_100000737910 [0,1,0,1,0,0|1,1,0]=4 3572 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [0,1,0,1,0,0|1,0,1]=4 3573 B8R1.8 [13CH3]SCC1=NCCN1 62a_100000737910_200025704644 [0,1,0,1,0,0|1,1,0]=4 3574 B8R1.8 [13CH3]SCC1=NCCN1 62a_200025704644_100000737910 [0,1,0,1,0,0|1,1,0]=4 3575 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,1,0,0|2,0,0]=4 3576 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,1,0,0|2,0,0]=4 3577 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,1,0,0|2,0,0]=4 3578 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,1,0,0|1,0,0]=3 3579 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,1,0,0|1,0,0]=3 3580 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|2,0,0]=4 3581 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|2,0,0]=4 3582 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|2,0,0]=4 3583 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,1,0,1,0,0|2,0,0]=4 3584 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,1,0,1,0,0|2,0,0]=4 3585 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|1,0,0]=3 3586 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|1,0,0]=3 3587 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,1,0,0|1,0,0]=3 3588 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,1,0,0|0,0,0]=2 3589 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|1,1,0]=4 3590 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|1,1,0]=4 3591 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,1,0,0|1,1,0]=4 3592 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,1,0,0|1,1,0]=4 3593 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,1,0,0|1,0,0]=3 3594 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,1,0,0|1,0,0]=3 3595 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,1,0,1,0,0|2,0,0]=4 3596 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,1,0,1,0,0|2,0,0]=4 3597 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|1,0,0]=3 3598 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,1,0,0|0,0,0]=2 3599 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|1,1,0]=4 3600 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|1,1,0]=4 3601 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,1,0,0|1,1,0]=4 3602 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,1,0,0|1,1,0]=4 3603 B8R1.66 CCNC1(COC1)C 2230a_100000732644_100000210202 [0,1,0,1,0,0|1,0,1]=4 3604 B8R1.39 CCC(=O)C1(CC1)C 1458a_100000756474_100000210202 [0,1,0,1,0,0|2,0,0]=4 3605 B8R1.39 CCC(=O)C1(CC1)F 1458a_100000055089_100000210202 [0,1,0,1,0,0|2,0,0]=4 3606 B8R1.39 CCC(=O)C1(CC1)O 1458a_100000241761_100000210202 [0,1,0,1,0,0|2,0,0]=4 3607 B8R1.39 CNC(=O)C1(CC1)C 11a_106832991635_100000756474 [0,1,0,1,0,0|2,0,0]=4 3608 B8R1.39 CNC(=O)C1(CC1)C 1626a_100102657272_100000756474 [0,1,0,1,0,0|2,0,0]=4 3609 B8R1.39 CNC(=O)C1(CC1)C 240690a_100102657272_100000756474 [0,1,0,1,0,0|2,0,0]=4 3610 B8R1.39 CNC(=O)C1(CC1)C 527a_100102657272_100000756474 [0,1,0,1,0,0|2,0,0]=4 3611 B8R1.39 CNC(=O)C1(CC1)F 11a_106832991635_100000055089 [0,1,0,1,0,0|2,0,0]=4 3612 B8R1.39 CNC(=O)C1(CC1)F 1626a_100102657272_100000055089 [0,1,0,1,0,0|2,0,0]=4 3613 B8R1.39 CNC(=O)C1(CC1)F 240690a_100102657272_100000055089 [0,1,0,1,0,0|2,0,0]=4 3614 B8R1.39 CNC(=O)C1(CC1)F 527a_100102657272_100000055089 [0,1,0,1,0,0|2,0,0]=4 3615 B8R1.39 CNC(=O)C1(CC1)O 240690a_100102657272_100000241761 [0,1,0,1,0,0|2,0,0]=4