0 B6R0.1 C#CC(=O)CC#N 1458a_100000211873_100011214920 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 C#CCC(=O)C#C 1458a_100000211873_100000184674 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [0,0,0,0,0,0|1,0,3]=4 7 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,0,0,0,0,0|1,0,2]=3 13 B6R0.1 C=C(C#N)CNC 2230a_106832991635_100000694840 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.1 C=C(C#N)CNC 34a_100102657272_100000694840 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.1 C=C(C#N)COC 34a_100138415774_100000694840 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.1 C=C(C#N)CSC 62a_200000210301_100000694840 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.1 C=C(C#N)CS[13CH3] 62a_200025704644_100000694840 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,0,0,0,0,0|1,0,1]=2 20 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,0,0,0,0,0|1,0,3]=4 25 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,0,0,0,0,0|1,0,2]=3 26 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,0,0,0,0,0|1,0,2]=3 27 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,0,0,0,0,0|1,0,2]=3 30 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,0,0,0,0,0|1,0,2]=3 31 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,0,0,0,0,0|1,0,2]=3 32 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,0,0,0,0,0|1,0,2]=3 33 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,0,0,0,0,0|1,0,2]=3 34 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,0,0,0,0,0|2,1,1]=4 38 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,0,0,0,0,0|2,0,1]=3 40 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,0,0,0,0|1,0,2]=3 41 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,0,0,0,0,0|2,0,2]=4 42 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,0,0,0,0,0|1,0,2]=3 43 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,0,0,0,0,0|1,0,2]=3 44 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,0,0,0,0,0|1,0,2]=3 45 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,0,0,0,0,0|2,0,2]=4 46 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,0,0,0,0,0|2,0,2]=4 47 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,0,0,0,0,0|2,0,1]=3 49 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,0,0,0,0,0|2,0,1]=3 50 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,0,0,0,0,0|2,0,0]=2 51 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,0,0,0,0,0|2,0,0]=2 52 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,0,0,0,0,0|2,0,0]=2 53 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,0,0,0,0,0|2,0,0]=2 54 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,0,0,0,0,0|2,0,0]=2 55 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,0,0,0,0,0|2,0,0]=2 56 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,0,0,0,0,0|2,0,0]=2 57 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,0,0,0,0,0|2,0,0]=2 58 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,0,0,0,0,0|2,0,0]=2 59 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,0,0,0,0,0|2,0,0]=2 60 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,0,0,0,0,0|2,0,0]=2 61 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,0,0,0,0,0|2,0,0]=2 62 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,0,0,0,0,0|3,0,1]=4 64 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,0,0,0,0,0|3,0,1]=4 65 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,0,0,0,0,0|3,0,1]=4 68 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,0,0,0,0,0|3,0,1]=4 70 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,0,0,0,0,0|3,0,1]=4 71 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,0,0,0,0,0|3,0,1]=4 72 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,0,0,0,0,0|3,0,1]=4 73 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,0,0,0,0,0|3,0,1]=4 74 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,0,0,0,0,0|2,0,2]=4 75 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,0,0,0,0,0|2,0,2]=4 76 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,0,0,0,0,0|2,0,2]=4 77 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,0,0,0,0,0|2,0,2]=4 78 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,0,0,0,0,0|2,0,2]=4 79 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,0,0,0,0,0|2,0,2]=4 80 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,0,0,0,0,0|2,0,2]=4 81 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,0,0,0,0,0|2,0,2]=4 82 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,0,0,0,0,0|2,0,2]=4 83 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,0,0,0,0,0|2,0,2]=4 84 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,0,0,0,0|1,0,0]=1 85 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,0,0,0,0|1,0,0]=1 86 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,0,0,0,0,0|2,0,0]=2 87 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,0,0,0,0,0|2,0,0]=2 88 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,0,0,0,0,0|1,0,0]=1 89 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,0,0,0,0,0|1,0,0]=1 90 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,0,0,0,0,0|1,0,0]=1 91 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,0,0,0,0,0|1,0,0]=1 92 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,0,0,0,0,0|2,0,1]=3 93 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,0,0,0,0,0|2,0,1]=3 94 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,0,0,0,0,0|2,0,1]=3 95 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,0,0,0,0,0|2,0,1]=3 96 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,0,0,0,0,0|2,0,1]=3 97 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,0,0,0,0,0|2,0,1]=3 98 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,0,0,0,0,0|1,1,1]=3 99 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,0,0,0,0,0|1,1,1]=3 100 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,0,0,0,0,0|1,1,1]=3 101 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,0,0,0,0,0|1,1,1]=3 102 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,0,0,0,0,0|1,1,1]=3 103 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,0,0,0,0,0|1,0,1]=2 104 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,0,0,0,0,0|1,0,1]=2 105 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,0,0,0,0,0|1,0,1]=2 106 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,0,0,0,0,0|1,0,1]=2 107 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,0,0,0,0,0|3,0,0]=3 108 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,0,0,0,0,0|3,0,0]=3 109 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,0,0,0,0,0|3,0,0]=3 110 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,0,0,0,0,0|3,0,0]=3 111 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,0,0,0,0,0|3,0,0]=3 112 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,0,0,0,0,0|3,0,0]=3 113 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,0,0,0,0,0|4,0,0]=4 114 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,0,0,0,0,0|3,0,0]=3 115 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,0,0,0,0,0|3,0,0]=3 116 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,0,0,0,0,0|4,0,0]=4 117 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,0,0,0,0,0|4,0,0]=4 118 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,0,0,0,0,0|4,0,0]=4 119 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,0,0,0,0,0|4,0,0]=4 120 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,0,0,0,0,0|4,0,0]=4 121 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,0,0,0,0,0|4,0,0]=4 122 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,0,0,0,0,0|4,0,0]=4 123 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,0,0,0,0,0|4,0,0]=4 124 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,0,0,0,0,0|4,0,0]=4 125 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,0,0,0,0,0|4,0,0]=4 126 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,0,0,0,0,0|4,0,0]=4 127 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,0,0,0,0,0|4,0,0]=4 128 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,0,0,0,0,0|4,0,0]=4 129 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,0,0,0,0,0|4,0,0]=4 130 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,0,0,0,0,0|2,0,0]=2 131 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,0,0,0,0|2,0,0]=2 132 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,0,0,0,0|2,0,0]=2 133 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,0,0,0,0,0|3,0,0]=3 134 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,0,0,0,0,0|3,0,0]=3 135 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,0,0,0,0|2,0,0]=2 136 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,0,0,0,0|2,0,0]=2 137 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,0,0,0,0|2,0,0]=2 138 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,0,0,0,0|2,0,0]=2 139 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,0,0,0,0|2,0,0]=2 140 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,0,0,0,0,0|2,0,0]=2 141 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,0,0,0,0,0|3,0,1]=4 142 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,0,0,0,0,0|3,0,1]=4 143 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,0,0,0,0,0|3,0,1]=4 144 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,0,0,0,0,0|3,0,1]=4 145 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,0,0,0,0,0|3,0,1]=4 146 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,0,0,0,0,0|3,0,1]=4 147 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,0,0,0,0,0|2,1,1]=4 148 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,0,0,0,0,0|2,1,1]=4 149 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,0,0,0,0,0|3,0,1]=4 150 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,0,0,0,0,0|3,0,1]=4 151 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,0,0,0,0,0|3,0,1]=4 152 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,0,0,0,0,0|3,0,1]=4 153 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,0,0,0,0,0|3,0,1]=4 154 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,0,0,0,0,0|3,0,1]=4 155 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,0,0,0,0,0|3,0,1]=4 156 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,0,0,0,0,0|3,0,1]=4 157 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,0,0,0,0,0|3,0,1]=4 158 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,0,0,0,0,0|3,0,1]=4 159 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,0,0,0,0,0|2,0,2]=4 160 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,0,0,0,0,0|2,0,2]=4 161 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,0,0,0,0,0|2,0,2]=4 162 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,0,0,0,0,0|2,0,2]=4 163 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,0,0,0,0,0|2,0,2]=4 164 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,0,0,0,0,0|2,0,2]=4 165 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,0,0,0,0,0|2,0,1]=3 166 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,0,0,0,0,0|2,0,1]=3 167 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,0,0,0,0,0|2,0,0]=2 168 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,0,0,0,0,0|2,0,0]=2 169 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,0,0,0,0,0|2,0,0]=2 170 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,0,0,0,0,0|2,0,0]=2 171 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,0,0,0,0,0|2,0,0]=2 172 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,0,0,0,0,0|2,0,0]=2 173 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,0,0,0,0,0|2,0,0]=2 174 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,0,0,0,0,0|2,0,0]=2 175 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,0,0,0,0,0|2,0,0]=2 176 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,0,0,0,0,0|2,0,0]=2 177 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,0,0,0,0,0|2,0,0]=2 178 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,0,0,0,0,0|2,0,0]=2 179 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,0,0,0,0,0|2,0,0]=2 180 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,0,0,0,0,0|2,0,0]=2 181 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,0,0,0,0,0|2,0,0]=2 182 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,0,0,0,0,0|2,0,0]=2 183 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,0,0,0,0,0|2,0,0]=2 184 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,0,0,0,0,0|3,0,1]=4 185 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,0,0,0,0,0|3,0,1]=4 186 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,0,0,0,0,0|3,0,1]=4 187 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,0,0,0,0,0|3,0,1]=4 188 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,0,0,0,0,0|3,0,1]=4 189 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,0,0,0,0,0|3,0,1]=4 190 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,0,0,0,0,0|3,0,1]=4 191 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,0,0,0,0,0|3,0,1]=4 192 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,0,0,0,0,0|2,0,0]=2 193 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,0,0,0,0,0|2,0,0]=2 194 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,0,0,0,0,0|2,0,0]=2 195 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,0,0,0,0,0|2,0,0]=2 196 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,0,0,0,0,0|1,1,0]=2 197 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,0,0,0,0,0|1,1,0]=2 198 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,0,0,0,0,0|1,1,0]=2 199 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,0,0,0,0,0|2,1,1]=4 200 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,0,0,0,0,0|4,0,0]=4 201 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,0,0,0,0,0|3,0,0]=3 202 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,0,0,0,0,0|3,0,0]=3 203 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,0,0,0,0,0|3,0,0]=3 204 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,0,0,0,0,0|3,0,1]=4 205 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,0,0,0,0,0|3,0,1]=4 206 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,0,0,0,0,0|3,0,1]=4 207 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,0,0,0,0,0|1,1,0]=2 208 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,0,0,0,0,0|1,1,0]=2 209 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,0,0,0,0,0|1,1,0]=2 210 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,0,0,0,0,0|1,1,0]=2 211 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,0,0,0,0,0|2,1,1]=4 212 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,0,0,0,0,0|2,1,1]=4 213 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,0,0,0,0,0|2,1,1]=4 214 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,0,0,0,0,0|3,0,0]=3 215 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,0,0,0,0,0|1,1,0]=2 216 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,0,0,0,0,0|2,1,1]=4 217 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,0,0,0,0,0|2,1,1]=4 218 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,0,0,0,0,0|2,0,1]=3 219 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,0,0,0,0,0|2,0,1]=3 220 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,0,0,0,0,0|2,0,1]=3 221 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,0,0,0,0,0|2,0,1]=3 222 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,0,0,0,0,0|3,0,1]=4 223 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,0,0,0,0,0|2,1,1]=4 224 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,0,0,0,0,0|2,1,1]=4 225 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,0,0,0,0,0|2,1,1]=4 226 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [0,0,0,0,0,0|2,0,2]=4 227 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [0,0,0,0,0,0|2,0,2]=4 228 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,0,0,0,0,0|2,0,1]=3 229 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,0,0,0,0,0|2,0,1]=3 230 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,0,0,0,0,0|3,0,0]=3 231 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,0,0,0,0,0|3,0,1]=4 232 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,0,0,0,0,0|3,0,1]=4 233 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,0,0,0,0,0|3,0,1]=4 234 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,0,0,0,0,0|3,0,1]=4 235 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,0,0,0,0,0|3,0,0]=3 236 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,0,0,0,0,0|3,0,0]=3 237 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,0,0,0,0,0|3,0,0]=3 238 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,0,0,0,0|0,0,2]=3 239 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,0,0,0,0|0,0,2]=3 240 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,0,0,0,0|0,0,2]=3 241 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|2,0,0]=3 242 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|2,0,0]=3 243 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|2,0,0]=3 244 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|2,0,0]=3 245 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|2,0,0]=3 246 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|2,0,0]=3 247 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|2,0,0]=3 248 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|2,0,0]=3 249 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|2,0,0]=3 250 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|2,0,0]=3 251 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,0,0,0,0,0|2,0,1]=4 252 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,0,0,0,0,0|2,0,1]=4 253 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,0,0,0,0,0|2,0,1]=4 254 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,0,0,0,0,0|2,0,1]=4 255 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,0,0,0,0,0|2,0,1]=4 256 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,0,0,0,0,0|2,0,1]=4 257 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,0,0,0,0,0|2,0,1]=4 258 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,0,0,0,0,0|2,0,1]=4 259 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,0,0,0,0,0|2,0,1]=4 260 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,0,0,0,0,0|2,0,1]=4 261 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|0,0,2]=3 262 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|0,0,2]=3 263 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|0,0,2]=3 264 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|0,0,2]=3 265 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|0,0,2]=3 266 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|1,0,2]=4 267 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|1,0,2]=4 268 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|1,0,2]=4 269 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,0,0,0,0|1,0,1]=3 270 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,0,0,0,0|1,0,1]=3 271 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|1,0,0]=2 272 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|1,0,0]=2 273 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|1,0,0]=2 274 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|1,0,0]=2 275 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,0,0,0,0,0|2,0,1]=4 276 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,0,0,0,0|2,0,1]=4 277 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,0,0,0,0|2,0,1]=4 278 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,0,0,0,0|2,0,1]=4 279 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,0,0,0,0|2,0,1]=4 280 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,0,0,0,0|2,0,1]=4 281 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,0,0,0,0,0|2,0,1]=4 282 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,0,0,0,0|1,0,2]=4 283 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|1,0,2]=4 284 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,0,0,0,0|1,0,2]=4 285 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,0,0,0,0|1,0,2]=4 286 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|0,0,2]=3 287 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|0,0,2]=3 288 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|0,0,0]=1 289 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|0,0,0]=1 290 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|0,0,0]=1 291 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|2,0,0]=3 292 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|2,0,0]=3 293 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|2,0,0]=3 294 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|2,0,0]=3 295 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|2,0,0]=3 296 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|2,0,0]=3 297 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|1,0,0]=2 298 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|1,0,0]=2 299 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|1,0,0]=2 300 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,0,0,0,0|2,0,1]=4 301 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,0,0,0,0|2,0,1]=4 302 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,0,0,0,0|2,0,1]=4 303 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|2,0,1]=4 304 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|2,0,1]=4 305 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,0,0,0,0|2,0,1]=4 306 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,0,0,0,0|2,0,1]=4 307 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,0,0,0,0,0|3,0,0]=4 308 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,0,0,0,0,0|3,0,0]=4 309 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,0,0,0,0,0|3,0,0]=4 310 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,0,0,0,0,0|3,0,0]=4 311 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,0,0,0,0,0|3,0,0]=4 312 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,0,0,0,0,0|3,0,0]=4 313 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,0,0,0,0,0|3,0,0]=4 314 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,0,0,0,0,0|3,0,0]=4 315 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|2,0,0]=3 316 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|2,0,0]=3 317 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|2,0,0]=3 318 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|2,0,0]=3 319 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|1,1,0]=3 320 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|1,1,0]=3 321 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,0,0,0,0|2,0,1]=4 322 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,0,0,0,0|2,0,1]=4 323 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,0,0,0,0|2,0,1]=4 324 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,0,0,0,0|2,0,1]=4 325 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,0,0,0,0|2,0,1]=4 326 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,0,0,0,0|2,0,1]=4 327 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,0,0,0,0|1,0,2]=4 328 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,0,0,0,0|1,0,2]=4 329 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,0,0,0,0|1,0,2]=4 330 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,0,0,0,0|1,0,2]=4 331 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,0,0,0,0|1,0,2]=4 332 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,0,0,0,0|1,0,2]=4 333 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,0,0,0,0|1,0,2]=4 334 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,0,0,0,0|1,0,2]=4 335 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [1,0,0,0,0,0|2,1,0]=4 336 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|2,0,0]=3 337 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|1,0,0]=2 338 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|1,0,0]=2 339 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,0,0]=3 340 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|1,0,0]=2 341 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|1,1,0]=3 342 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,0,0,0,0,0|2,0,1]=4 343 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,0,0,0,0|2,0,1]=4 344 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,0,0,0,0|2,0,1]=4 345 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,0,0,0,0,0|2,0,1]=4 346 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,0,0,0,0|1,0,2]=4 347 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,0,0,0,0,0|3,0,0]=4 348 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,0,0,0,0,0|3,0,0]=4 349 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,0,0,0,0,0|2,0,1]=4 350 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,0,0,0,0|2,0,1]=4 351 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,0,0,0,0|1,0,2]=4 352 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [1,0,0,0,0,0|2,1,0]=4 353 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|1,0,0]=2 354 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|2,0,0]=3 355 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|2,0,0]=3 356 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|1,0,0]=2 357 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|1,1,0]=3 358 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|1,1,0]=3 359 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,0,0,0,0|2,0,1]=4 360 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,0,0,0,0|2,0,1]=4 361 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,0,0,0,0|1,0,2]=4 362 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,0,0,0,0|1,0,2]=4 363 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,0,0,0,0,0|3,0,0]=4 364 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,0,0,0,0,0|3,0,0]=4 365 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,0,0,0,0|1,0,2]=4 366 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,0,0,0,0|1,0,2]=4 367 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [1,0,0,0,0,0|2,1,0]=4 368 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,0,0,0,0,0|2,0,1]=4 369 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,0,0,0,0|2,0,1]=4 370 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,0,0,0,0|1,0,2]=4 371 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,0,0,0,0|1,0,2]=4 372 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|1,0,2]=4 373 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|1,0,2]=4 374 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|1,0,2]=4 375 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,0,0,0,0|1,0,1]=3 376 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|1,0,0]=2 377 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|2,0,0]=3 378 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|1,1,0]=3 379 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|2,0,0]=3 380 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|2,0,0]=3 381 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|1,1,0]=3 382 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|1,1,0]=3 383 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [1,0,0,0,0,0|2,1,0]=4 384 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [1,0,0,0,0,0|0,0,3]=4 385 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [1,0,0,0,0,0|0,0,3]=4 386 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [1,0,0,0,0,0|0,0,3]=4 387 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [1,0,0,0,0,0|0,0,3]=4 388 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,0,0,0,0|2,0,0]=3 389 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,0,0,0,0|2,0,0]=3 390 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,0,0,0,0|2,0,0]=3 391 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,0,0,0,0|2,0,0]=3 392 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,0,0,0,0|2,0,0]=3 393 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,0,0,0,0|2,0,0]=3 394 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,0,0,0,0|2,0,0]=3 395 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,0,0,0,0|2,0,0]=3 396 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,0,0,0,0|2,0,0]=3 397 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,0,0,0,0|0,0,3]=4 398 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,0,0,0,0|0,0,3]=4 399 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,0,0,0,0|0,0,3]=4 400 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,0,0,0,0|0,0,3]=4 401 B5R0.2 CC#CCNC 2230a_100000685387_200000210301 [1,0,0,0,0,0|2,0,1]=4 402 B5R0.2 CC#CCNC 2230a_106832991635_100000748600 [1,0,0,0,0,0|2,0,1]=4 403 B5R0.2 CC#CCNC 34a_100000685387_200000210301 [1,0,0,0,0,0|2,0,1]=4 404 B5R0.2 CC#CCNC 34a_100102657272_100000748600 [1,0,0,0,0,0|2,0,1]=4 405 B5R0.2 CC#CCNC 7a_106832991635_100000748600 [1,0,0,0,0,0|2,0,1]=4 406 B5R0.2 CC#CCN[13CH3] 2230a_100000685387_200025704644 [1,0,0,0,0,0|2,0,1]=4 407 B5R0.2 CC#CCN[13CH3] 34a_100000685387_200025704644 [1,0,0,0,0,0|2,0,1]=4 408 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [1,0,0,0,0,0|2,0,1]=4 409 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [1,0,0,0,0,0|2,0,1]=4 410 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [1,0,0,0,0,0|2,0,1]=4 411 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [1,0,0,0,0,0|0,0,3]=4 412 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [1,0,0,0,0,0|0,0,3]=4 413 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [1,0,0,0,0,0|0,0,3]=4 414 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [1,0,0,0,0,0|0,0,3]=4 415 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,0,0,0,0|2,0,0]=3 416 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,0,0,0,0|2,0,0]=3 417 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,0,0,0,0|2,0,0]=3 418 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,0,0,0,0|2,0,0]=3 419 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,0,0,0,0|2,0,0]=3 420 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,0,0,0,0|2,0,0]=3 421 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,0,0,0,0|2,0,0]=3 422 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,0,0,0,0|2,0,0]=3 423 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|3,0,0]=4 424 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|1,0,1]=3 425 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|1,0,1]=3 426 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|1,0,1]=3 427 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|1,0,1]=3 428 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|1,0,1]=3 429 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|1,0,1]=3 430 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|1,0,1]=3 431 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|0,1,1]=3 432 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|0,1,1]=3 433 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|0,1,1]=3 434 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|0,1,1]=3 435 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|0,1,1]=3 436 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|0,0,1]=2 437 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|0,0,1]=2 438 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|0,0,1]=2 439 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|0,0,1]=2 440 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,0,0,0,0|2,0,0]=3 441 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,0,0,0,0|2,0,0]=3 442 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,0,0,0,0|2,0,0]=3 443 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,0,0,0,0|3,0,0]=4 444 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,0,0,0,0|2,0,0]=3 445 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,0,0,0,0|2,0,0]=3 446 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,0,0,0,0|3,0,0]=4 447 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,0,0,0,0|3,0,0]=4 448 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,0,0,0,0|3,0,0]=4 449 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,0,0,0,0|3,0,0]=4 450 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,0,0,0,0|3,0,0]=4 451 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,0,0,0,0|3,0,0]=4 452 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,0,0,0,0|3,0,0]=4 453 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,0,0,0,0|1,1,1]=4 454 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,0,0,0,0|1,0,1]=3 455 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,0,0,0,0|3,0,0]=4 456 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,0,0,0,0|3,0,0]=4 457 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,0,0,0,0|3,0,0]=4 458 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,0,0,0,0|3,0,0]=4 459 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,0,0,0,0|1,0,1]=3 460 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,0,0,0,0|1,0,1]=3 461 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,0,0,0,0|1,0,1]=3 462 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,0,0,0,0|1,0,1]=3 463 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,0,0,0,0|1,0,1]=3 464 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,0,0,0,0|3,0,0]=4 465 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,0,0,0,0|3,0,0]=4 466 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,0,0,0,0|3,0,0]=4 467 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,0,0,0,0|3,0,0]=4 468 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,0,0,0,0|1,1,1]=4 469 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,0,0,0,0|1,1,1]=4 470 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,0,0,0,0|1,0,1]=3 471 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,0,0,0,0|1,0,1]=3 472 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,0,0,0,0|2,0,1]=4 473 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,0,0,0,0|2,0,1]=4 474 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,0,0,0,0|2,0,1]=4 475 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,0,0,0,0|2,0,1]=4 476 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,0,0,0,0|2,0,1]=4 477 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,0,0,0,0|2,0,1]=4 478 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,0,0,0,0|2,0,1]=4 479 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,0,0,0,0|2,0,1]=4 480 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,0,0,0,0,0|1,1,1]=4 481 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,0,0,0,0,0|1,1,1]=4 482 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,0,0,0,0,0|1,1,1]=4 483 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,0,0,0,0,0|1,1,1]=4 484 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,0,0,0,0,0|1,0,1]=3 485 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,0,0,0,0,0|1,0,1]=3 486 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,0,0,0,0,0|1,0,1]=3 487 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,0,0,0,0,0|1,0,1]=3 488 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,0,0,0,0|1,1,1]=4 489 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,0,0,0,0|1,1,1]=4 490 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,0,0,0,0|1,1,1]=4 491 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,0,0,0,0|1,1,1]=4 492 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,0,0,0,0|1,1,1]=4 493 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,0,0,0,0|1,1,1]=4 494 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,0,0,0,0,0|1,1,1]=4 495 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,0,0,0,0,0|1,1,1]=4 496 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,0,0,0,0,0|1,1,1]=4 497 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,0,0,0,0,0|1,1,1]=4 498 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,0,0,0,0,0|1,0,1]=3 499 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,0,0,0,0,0|1,0,1]=3 500 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,0,0,0,0,0|1,0,1]=3 501 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,0,0,0,0,0|1,0,1]=3 502 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,0,0,0,0,0|1,0,1]=3 503 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,0,0,0,0,0|1,0,1]=3 504 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,0,0,0,0,0|1,0,1]=3 505 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [1,0,0,0,0,0|1,0,2]=4 506 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [1,0,0,0,0,0|1,0,2]=4 507 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,0,0,0,0|1,0,1]=3 508 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,0,0,0,0|1,0,1]=3 509 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,0,0,0,0|1,0,1]=3 510 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,0,0,0,0|1,0,1]=3 511 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,0,0,0,0,0|1,0,1]=3 512 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,0,0,0,0,0|1,0,1]=3 513 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,0,0,0,0,0|1,0,1]=3 514 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,0,0,0,0,0|1,0,1]=3 515 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,0,0,0,0,0|1,0,1]=3 516 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,0,0,0,0,0|1,0,1]=3 517 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,0,0,0,0,0|1,0,1]=3 518 B5R0.2 CSCSCF 62a_100011218213_100015361967 [1,0,0,0,0,0|2,0,1]=4 519 B5R0.2 CSCSCF 62a_100015361967_100011218213 [1,0,0,0,0,0|2,0,1]=4 520 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,0,0,0,0|2,0,1]=4 521 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,0,0,0,0|2,0,1]=4 522 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,0,0,0,0|1,1,1]=4 523 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,0,0,0,0|1,1,1]=4 524 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,0,0,0,0|1,1,1]=4 525 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,0,0,0,0|1,1,1]=4 526 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [1,0,0,0,0,0|1,0,2]=4 527 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [1,0,0,0,0,0|1,0,2]=4 528 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,0,0,0,0|1,0,1]=3 529 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,0,0,0,0|1,0,1]=3 530 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,0,0,0,0|1,0,1]=3 531 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,0,0,0,0|1,0,1]=3 532 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,0,0,0,0|1,0,1]=3 533 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [1,0,0,0,0,0|2,0,1]=4 534 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,0,0,0,0|1,0,1]=3 535 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,0,0,0,0|2,0,1]=4 536 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,0,0,0,0|1,0,2]=4 537 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,0,0,0,0|1,0,2]=4 538 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,0,0,0,0,0|2,0,1]=4 539 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,0,0,0,0|1,0,0]=2 540 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,0,0,0,0|2,0,0]=3 541 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|2,0,0]=3 542 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,0,0,0,0|1,0,0]=2 543 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,0,0,0,0|1,0,0]=2 544 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,0,0,0,0|1,0,0]=2 545 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,0,0,0,0|1,0,0]=2 546 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|2,0,1]=4 547 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|2,0,1]=4 548 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|2,0,1]=4 549 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|2,0,1]=4 550 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|2,0,1]=4 551 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|1,1,1]=4 552 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|1,1,1]=4 553 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|1,1,1]=4 554 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|1,0,1]=3 555 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|1,0,1]=3 556 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|1,0,1]=3 557 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|1,0,1]=3 558 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|3,0,0]=4 559 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|3,0,0]=4 560 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|3,0,0]=4 561 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|3,0,0]=4 562 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|3,0,0]=4 563 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|3,0,0]=4 564 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|3,0,0]=4 565 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|3,0,0]=4 566 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,0,0,0,0|2,0,0]=3 567 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,0,0,0,0|2,0,0]=3 568 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,0,0,0,0|2,0,0]=3 569 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,0,0,0,0|2,0,0]=3 570 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,0,0,0,0|2,0,0]=3 571 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,0,0,0,0|2,0,1]=4 572 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,0,0,0,0|2,0,1]=4 573 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,0,0,0,0|2,0,1]=4 574 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,0,0,0,0|2,0,1]=4 575 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,0,0,0,0,0|2,0,1]=4 576 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,0,0,0,0,0|2,0,1]=4 577 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,0,0,0,0,0|2,0,1]=4 578 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,0,0,0,0,0|2,0,1]=4 579 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,0,0,0,0,0|2,0,1]=4 580 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,0,0,0,0,0|3,0,0]=4 581 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [0,1,0,0,0,0|1,0,2]=4 582 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,1,0,0,0,0|1,0,1]=3 583 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [0,1,0,0,0,0|1,0,1]=3 584 B7R0.2 C#CC(=O)CC(F)F 1458a_100000211873_100011934356 [0,1,0,0,0,0|2,0,1]=4 585 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,0,0,0,0|1,0,1]=3 586 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,1,0,0,0,0|2,0,1]=4 587 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,1,0,0,0,0|1,0,2]=4 588 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,1,0,0,0,0|1,0,2]=4 589 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,1,0,0,0,0|1,0,1]=3 590 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,1,0,0,0,0|1,0,1]=3 591 B7R0.2 C=CC(=O)CC(F)F 1458a_100000185746_100011934356 [0,1,0,0,0,0|2,0,1]=4 592 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,1,0,0,0,0|2,0,1]=4 593 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,1,0,0,0,0|2,0,1]=4 594 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,1,0,0,0,0|2,0,0]=3 595 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,1,0,0,0,0|2,0,0]=3 596 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,1,0,0,0,0|2,0,1]=4 597 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,1,0,0,0,0|1,1,1]=4 598 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,1,0,0,0,0|1,1,1]=4 599 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,1,0,0,0,0|1,0,1]=3 600 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,1,0,0,0,0|1,0,1]=3 601 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,1,0,0,0,0|3,0,0]=4 602 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,1,0,0,0,0|3,0,0]=4 603 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,1,0,0,0,0|2,0,1]=4 604 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,1,0,0,0,0|2,0,1]=4 605 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,1,0,0,0,0|2,0,0]=3 606 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,0,0,0,0|1,0,2]=4 607 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,1,0,0,0,0|1,0,2]=4 608 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,1,0,0,0,0|1,0,2]=4 609 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,0,0,0,0|1,0,1]=3 610 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,1,0,0,0,0|2,0,1]=4 611 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,1,0,0,0,0|2,0,1]=4 612 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,1,0,0,0,0|2,0,1]=4 613 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,0,0,0,0|1,0,0]=2 614 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,0,0,0,0|1,0,0]=2 615 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,1,0,0,0,0|1,0,0]=2 616 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,1,0,0,0,0|2,0,0]=3 617 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,1,0,0,0,0|2,0,0]=3 618 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,1,0,0,0,0|2,0,0]=3 619 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,1,0,0,0,0|1,0,0]=2 620 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,1,0,0,0,0|3,0,0]=4 621 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,1,0,0,0,0|2,0,0]=3 622 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,0,0,0,0|2,0,0]=3 623 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,0,0,0,0|2,0,0]=3 624 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,0,0,0,0|2,0,0]=3 625 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,0,0,0,0|2,0,0]=3 626 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,1,0,0,0,0|3,0,0]=4 627 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,1,0,0,0,0|3,0,0]=4 628 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,1,0,0,0,0|3,0,0]=4 629 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,1,0,0,0,0|3,0,0]=4 630 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,1,0,0,0,0|3,0,0]=4 631 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,1,0,0,0,0|3,0,0]=4 632 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,1,0,0,0,0|3,0,0]=4 633 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,1,0,0,0,0|3,0,0]=4 634 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,1,0,0,0,0|3,0,0]=4 635 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,1,0,0,0,0|3,0,0]=4 636 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,1,0,0,0,0|3,0,0]=4 637 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,1,0,0,0,0|3,0,0]=4 638 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,1,0,0,0,0|3,0,0]=4 639 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,1,0,0,0,0|3,0,0]=4 640 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,1,0,0,0,0|3,0,0]=4 641 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,1,0,0,0,0|3,0,0]=4 642 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,1,0,0,0,0|3,0,0]=4 643 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,1,0,0,0,0|3,0,0]=4 644 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,1,0,0,0,0|3,0,0]=4 645 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,1,0,0,0,0|1,0,2]=4 646 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,1,0,0,0,0|1,0,2]=4 647 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,1,0,0,0,0|1,0,2]=4 648 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,1,0,0,0,0|1,0,2]=4 649 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,1,0,0,0,0|1,0,2]=4 650 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,1,0,0,0,0|1,0,2]=4 651 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,1,0,0,0,0|1,0,2]=4 652 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,1,0,0,0,0|1,0,2]=4 653 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,1,0,0,0,0|1,0,1]=3 654 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,1,0,0,0,0|2,0,1]=4 655 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,1,0,0,0,0|2,0,1]=4 656 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,0,0,0,0|1,0,0]=2 657 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,0,0,0,0|1,0,0]=2 658 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,0,0,0,0|1,0,0]=2 659 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,0,0,0,0|1,0,0]=2 660 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,1,0,0,0,0|2,0,0]=3 661 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,1,0,0,0,0|2,0,0]=3 662 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,1,0,0,0,0|2,0,0]=3 663 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,1,0,0,0,0|2,0,0]=3 664 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,1,0,0,0,0|2,0,0]=3 665 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,1,0,0,0,0|2,0,0]=3 666 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,1,0,0,0,0|2,0,0]=3 667 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,1,0,0,0,0|1,0,0]=2 668 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,1,0,0,0,0|2,0,0]=3 669 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,1,0,0,0,0|2,0,0]=3 670 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,1,0,0,0,0|2,0,0]=3 671 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,1,0,0,0,0|2,0,0]=3 672 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,1,0,0,0,0|2,0,0]=3 673 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,1,0,0,0,0|2,0,0]=3 674 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,1,0,0,0,0|2,0,0]=3 675 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,1,0,0,0,0|2,0,0]=3 676 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,1,0,0,0,0|2,0,0]=3 677 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,1,0,0,0,0|2,0,1]=4 678 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,1,0,0,0,0|2,0,1]=4 679 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,1,0,0,0,0|2,0,1]=4 680 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,1,0,0,0,0|2,0,1]=4 681 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,1,0,0,0,0|0,1,1]=3 682 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,1,0,0,0,0|0,1,1]=3 683 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,1,0,0,0,0|0,1,1]=3 684 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,1,0,0,0,0|1,1,0]=3 685 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,1,0,0,0,0|1,1,0]=3 686 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,1,0,0,0,0|1,1,0]=3 687 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,1,0,0,0,0|1,1,0]=3 688 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,1,0,0,0,0|1,1,1]=4 689 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,1,0,0,0,0|1,1,1]=4 690 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,1,0,0,0,0|1,1,1]=4 691 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,1,0,0,0,0|1,0,1]=3 692 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,1,0,0,0,0|1,0,1]=3 693 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,1,0,0,0,0|2,0,1]=4 694 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,1,0,0,0,0|2,0,1]=4 695 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,1,0,0,0,0|2,0,0]=3 696 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,1,0,0,0,0|3,0,0]=4 697 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [0,1,0,0,0,0|3,0,0]=4 698 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [0,1,0,0,0,0|1,0,2]=4 699 B7R0.3 C#CC(=O)CC#CC 1458a_100000211873_100000748600 [0,1,0,0,0,0|1,0,2]=4 700 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [0,1,0,0,0,0|1,0,2]=4 701 B7R0.3 C#CC(=O)CCC#N 1458a_100000211873_100011215226 [0,1,0,0,0,0|1,0,2]=4 702 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [0,1,0,0,0,0|1,0,2]=4 703 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,1,0,0,0,0|1,0,1]=3 704 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,1,0,0,0,0|1,0,1]=3 705 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,1,0,0,0,0|1,0,1]=3 706 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,1,0,0,0,0|1,0,1]=3 707 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,1,0,0,0,0|1,0,1]=3 708 B7R0.3 C#CCCC(=O)C#C 1458a_100000211873_100000753159 [0,1,0,0,0,0|1,0,2]=4 709 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [0,1,0,0,0,0|1,0,2]=4 710 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,1,0,0,0,0|1,0,1]=3 711 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,1,0,0,0,0|1,0,1]=3 712 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,1,0,0,0,0|2,0,1]=4 713 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,1,0,0,0,0|2,0,1]=4 714 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,1,0,0,0,0|1,0,1]=3 715 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,1,0,0,0,0|1,0,1]=3 716 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,1,0,0,0,0|1,0,1]=3 717 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,1,0,0,0,0|1,0,1]=3 718 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,1,0,0,0,0|1,0,2]=4 719 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,1,0,0,0,0|1,0,2]=4 720 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,1,0,0,0,0|1,0,2]=4 721 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,1,0,0,0,0|1,0,2]=4 722 B7R0.3 C#CCNC(=O)NC 2708a_100000212058_106832991635 [0,1,0,0,0,0|1,0,2]=4 723 B7R0.3 C#CCNC(=O)NC 2708a_100102657272_100000212058 [0,1,0,0,0,0|1,0,2]=4 724 B7R0.3 C#CCNC(=O)NC 273464a_100000212058_100102657272 [0,1,0,0,0,0|1,0,2]=4 725 B7R0.3 C#CCNC(=O)NC 273464a_100102657272_100000212058 [0,1,0,0,0,0|1,0,2]=4 726 B7R0.3 C#CCNC(=O)NC 512a_100000212058_100102657272 [0,1,0,0,0,0|1,0,2]=4 727 B7R0.3 C#CCNC(=O)NC 512a_106832991638_100000212058 [0,1,0,0,0,0|1,0,2]=4 728 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,1,0,0,0,0|1,0,1]=3 729 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,1,0,0,0,0|2,0,1]=4 730 B7R0.3 C=C(C#N)CNCC 2230a_100015525214_100000694840 [0,1,0,0,0,0|3,0,0]=4 731 B7R0.3 C=C(C#N)COCC 34a_100121572206_100000694840 [0,1,0,0,0,0|3,0,0]=4 732 B7R0.3 C=C(C#N)CSCC 62a_100000210202_100000694840 [0,1,0,0,0,0|3,0,0]=4 733 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,1,0,0,0,0|1,0,2]=4 734 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [0,1,0,0,0,0|1,0,2]=4 735 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,1,0,0,0,0|1,0,2]=4 736 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [0,1,0,0,0,0|1,0,2]=4 737 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,1,0,0,0,0|1,0,1]=3 738 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,1,0,0,0,0|1,0,1]=3 739 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,1,0,0,0,0|1,0,1]=3 740 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,1,0,0,0,0|1,0,1]=3 741 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,1,0,0,0,0|1,0,1]=3 742 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,1,0,0,0,0|1,0,1]=3 743 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,1,0,0,0,0|1,0,1]=3 744 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,1,0,0,0,0|2,0,1]=4 745 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,1,0,0,0,0|2,0,1]=4 746 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,1,0,0,0,0|2,0,1]=4 747 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [0,1,0,0,0,0|2,0,1]=4 748 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,1,0,0,0,0|1,0,2]=4 749 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,0,0,0,0|1,0,1]=3 750 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,0,0,0,0|1,0,1]=3 751 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,1,0,0,0,0|2,0,1]=4 752 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,1,0,0,0,0|2,0,1]=4 753 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,1,0,0,0,0|1,0,1]=3 754 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,1,0,0,0,0|1,0,1]=3 755 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,1,0,0,0,0|1,0,1]=3 756 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,1,0,0,0,0|1,0,1]=3 757 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,1,0,0,0,0|1,0,2]=4 758 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,1,0,0,0,0|1,0,2]=4 759 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,1,0,0,0,0|1,0,2]=4 760 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,1,0,0,0,0|1,0,2]=4 761 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,1,0,0,0,0|1,0,2]=4 762 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,1,0,0,0,0|1,0,2]=4 763 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,1,0,0,0,0|1,0,2]=4 764 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,1,0,0,0,0|1,0,2]=4 765 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,1,0,0,0,0|1,0,1]=3 766 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,1,0,0,0,0|2,0,1]=4 767 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,1,0,0,0,0|1,1,1]=4 768 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,1,0,0,0,0|1,1,1]=4 769 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,1,0,0,0,0|1,0,1]=3 770 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,1,0,0,0,0|1,0,1]=3 771 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,1,0,0,0,0|2,0,1]=4 772 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,1,0,0,0,0|2,0,1]=4 773 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,1,0,0,0,0|1,0,1]=3 774 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,1,0,0,0,0|1,0,1]=3 775 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,1,0,0,0,0|1,0,1]=3 776 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,1,0,0,0,0|1,0,1]=3 777 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,1,0,0,0,0|2,0,1]=4 778 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,1,0,0,0,0|1,0,1]=3 779 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,1,0,0,0,0|2,0,1]=4 780 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,1,0,0,0,0|1,0,2]=4 781 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,1,0,0,0,0|1,0,2]=4 782 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,1,0,0,0,0|1,0,1]=3 783 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,1,0,0,0,0|1,0,1]=3 784 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,1,0,0,0,0|1,0,0]=2 785 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,0,0,0,0|1,0,0]=2 786 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,0,0,0,0|1,0,0]=2 787 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,0,0,0,0|1,0,0]=2 788 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,0,0,0,0|1,0,0]=2 789 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,0,0,0,0|1,0,0]=2 790 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,1,0,0,0,0|2,0,0]=3 791 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,1,0,0,0,0|2,0,0]=3 792 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,1,0,0,0,0|2,0,0]=3 793 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,1,0,0,0,0|2,0,1]=4 794 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,1,0,0,0,0|2,0,1]=4 795 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,0,0,0,0|2,0,0]=3 796 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,0,0,0,0|2,0,0]=3 797 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,0,0,0,0|2,0,0]=3 798 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,0,0,0,0|2,0,0]=3 799 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,0,0,0,0|2,0,0]=3 800 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,0,0,0,0|2,0,0]=3 801 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,1,0,0,0,0|2,0,1]=4 802 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,1,0,0,0,0|2,0,1]=4 803 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,1,0,0,0,0|2,0,1]=4 804 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,1,0,0,0,0|2,0,1]=4 805 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,0,0,0,0|1,0,1]=3 806 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,1,0,0,0,0|2,0,1]=4 807 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,1,0,0,0,0|1,0,1]=3 808 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,1,0,0,0,0|1,0,1]=3 809 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,1,0,0,0,0|1,0,1]=3 810 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,0,0,0,0|1,0,0]=2 811 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,0,0,0,0|1,0,0]=2 812 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,1,0,0,0,0|2,0,0]=3 813 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,1,0,0,0,0|2,0,0]=3 814 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,1,0,0,0,0|1,0,0]=2 815 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,1,0,0,0,0|1,0,0]=2 816 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,1,0,0,0,0|1,0,0]=2 817 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,1,0,0,0,0|1,0,0]=2 818 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,1,0,0,0,0|2,0,1]=4 819 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,1,0,0,0,0|2,0,1]=4 820 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,1,0,0,0,0|2,0,1]=4 821 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,1,0,0,0,0|2,0,1]=4 822 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,1,0,0,0,0|2,0,1]=4 823 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,1,0,0,0,0|2,0,1]=4 824 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,1,0,0,0,0|1,1,1]=4 825 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,1,0,0,0,0|1,1,1]=4 826 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,1,0,0,0,0|1,1,1]=4 827 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,1,0,0,0,0|1,1,1]=4 828 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,1,0,0,0,0|1,1,1]=4 829 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,1,0,0,0,0|1,0,1]=3 830 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,1,0,0,0,0|1,0,1]=3 831 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,1,0,0,0,0|1,0,1]=3 832 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,1,0,0,0,0|1,0,1]=3 833 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,1,0,0,0,0|3,0,0]=4 834 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,1,0,0,0,0|3,0,0]=4 835 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,1,0,0,0,0|3,0,0]=4 836 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,1,0,0,0,0|3,0,0]=4 837 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,1,0,0,0,0|3,0,0]=4 838 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,1,0,0,0,0|3,0,0]=4 839 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,1,0,0,0,0|3,0,0]=4 840 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,1,0,0,0,0|3,0,0]=4 841 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,0,0,0,0|1,0,0]=2 842 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,0,0,0,0|1,0,0]=2 843 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,0,0,0,0|1,0,0]=2 844 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,0,0,0,0|1,0,0]=2 845 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,0,0,0,0|2,0,0]=3 846 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,0,0,0,0|2,0,0]=3 847 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,1,0,0,0,0|1,0,0]=2 848 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,1,0,0,0,0|1,0,0]=2 849 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,1,0,0,0,0|1,0,0]=2 850 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,1,0,0,0,0|1,0,0]=2 851 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,1,0,0,0,0|1,0,0]=2 852 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,1,0,0,0,0|1,0,0]=2 853 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,1,0,0,0,0|2,0,1]=4 854 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,1,0,0,0,0|2,0,1]=4 855 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,1,0,0,0,0|2,0,1]=4 856 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,1,0,0,0,0|2,0,1]=4 857 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,1,0,0,0,0|2,0,1]=4 858 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,1,0,0,0,0|1,1,1]=4 859 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,1,0,0,0,0|1,1,1]=4 860 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [0,1,0,0,0,0|3,0,0]=4 861 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [0,1,0,0,0,0|3,0,0]=4 862 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,1,0,0,0,0|3,0,0]=4 863 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,1,0,0,0,0|3,0,0]=4 864 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,1,0,0,0,0|3,0,0]=4 865 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,1,0,0,0,0|3,0,0]=4 866 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,1,0,0,0,0|3,0,0]=4 867 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,1,0,0,0,0|3,0,0]=4 868 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,1,0,0,0,0|3,0,0]=4 869 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,1,0,0,0,0|3,0,0]=4 870 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,1,0,0,0,0|3,0,0]=4 871 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,1,0,0,0,0|3,0,0]=4 872 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,1,0,0,0,0|3,0,0]=4 873 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,1,0,0,0,0|3,0,0]=4 874 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,1,0,0,0,0|3,0,0]=4 875 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,1,0,0,0,0|3,0,0]=4 876 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,1,0,0,0,0|3,0,0]=4 877 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,1,0,0,0,0|3,0,0]=4 878 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,1,0,0,0,0|1,0,0]=2 879 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,1,0,0,0,0|1,0,0]=2 880 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,1,0,0,0,0|0,1,0]=2 881 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,1,0,0,0,0|2,0,1]=4 882 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,1,0,0,0,0|2,0,1]=4 883 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,1,0,0,0,0|2,0,1]=4 884 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,1,0,0,0,0|1,0,2]=4 885 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,1,0,0,0,0|1,0,2]=4 886 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,1,0,0,0,0|2,0,1]=4 887 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,1,0,0,0,0|1,1,1]=4 888 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,1,0,0,0,0|2,0,0]=3 889 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,1,0,0,0,0|3,0,0]=4 890 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,1,0,0,0,0|2,0,0]=3 891 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,1,0,0,0,0|2,0,0]=3 892 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,1,0,0,0,0|2,0,0]=3 893 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,0,0,0,0|1,0,0]=2 894 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,0,0,0,0|1,0,0]=2 895 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,1,0,0,0,0|2,0,0]=3 896 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,1,0,0,0,0|1,0,0]=2 897 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,1,0,0,0,0|1,0,0]=2 898 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,1,0,0,0,0|1,0,0]=2 899 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,1,0,0,0,0|1,0,0]=2 900 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,1,0,0,0,0|1,0,0]=2 901 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,1,0,0,0,0|1,0,0]=2 902 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,1,0,0,0,0|0,1,0]=2 903 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,1,0,0,0,0|2,0,1]=4 904 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,1,0,0,0,0|1,1,1]=4 905 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,1,0,0,0,0|1,1,1]=4 906 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,1,0,0,0,0|1,1,1]=4 907 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,1,0,0,0,0|1,1,1]=4 908 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,1,0,0,0,0|1,1,1]=4 909 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,1,0,0,0,0|1,0,2]=4 910 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,1,0,0,0,0|3,0,0]=4 911 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,1,0,0,0,0|2,0,1]=4 912 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,1,0,0,0,0|2,0,1]=4 913 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,1,0,0,0,0|1,0,0]=2 914 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,1,0,0,0,0|1,0,0]=2 915 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,1,0,0,0,0|1,0,0]=2 916 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,1,0,0,0,0|2,0,0]=3 917 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,1,0,0,0,0|1,0,0]=2 918 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,1,0,0,0,0|1,0,0]=2 919 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,1,0,0,0,0|1,0,0]=2 920 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,1,0,0,0,0|1,0,0]=2 921 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,1,0,0,0,0|1,0,0]=2 922 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,1,0,0,0,0|1,0,0]=2 923 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,1,0,0,0,0|0,1,0]=2 924 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,1,0,0,0,0|0,1,0]=2 925 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,1,0,0,0,0|2,0,1]=4 926 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,1,0,0,0,0|2,0,1]=4 927 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,1,0,0,0,0|2,0,1]=4 928 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,1,0,0,0,0|1,0,2]=4 929 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,1,0,0,0,0|1,0,2]=4 930 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,1,0,0,0,0|2,0,1]=4 931 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,1,0,0,0,0|2,0,1]=4 932 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,1,0,0,0,0|1,0,2]=4 933 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,1,0,0,0,0|1,0,2]=4 934 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,1,0,0,0,0|1,0,1]=3 935 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,1,0,0,0,0|1,0,1]=3 936 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,1,0,0,0,0|1,0,1]=3 937 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,1,0,0,0,0|1,0,1]=3 938 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,1,0,0,0,0|1,0,0]=2 939 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,1,0,0,0,0|1,0,0]=2 940 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,1,0,0,0,0|1,0,0]=2 941 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,1,0,0,0,0|1,0,0]=2 942 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,1,0,0,0,0|1,0,0]=2 943 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,1,0,0,0,0|1,0,0]=2 944 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,1,0,0,0,0|1,0,0]=2 945 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,1,0,0,0,0|1,0,0]=2 946 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,1,0,0,0,0|1,0,0]=2 947 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,0,0,0,0|1,0,0]=2 948 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,0,0,0,0|1,0,0]=2 949 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,0,0,0,0|1,0,0]=2 950 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,0,0,0,0|1,0,0]=2 951 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,0,0,0,0|1,0,0]=2 952 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,0,0,0,0|1,0,0]=2 953 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,0,0,0,0|1,0,0]=2 954 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,0,0,0,0|1,0,0]=2 955 B7R0.3 CNC(=O)CN=[N+]=[N-] 11a_106832991635_100000751907 [0,1,0,0,0,0|3,0,0]=4 956 B7R0.3 CNC(=O)CN=[N+]=[N-] 240690a_100102657272_100000751907 [0,1,0,0,0,0|3,0,0]=4 957 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,1,0,0,0,0|2,0,0]=3 958 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,1,0,0,0,0|2,0,0]=3 959 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,1,0,0,0,0|2,0,0]=3 960 B7R0.3 CNC(=O)NCC#N 2708a_100000734998_106832991635 [0,1,0,0,0,0|2,0,1]=4 961 B7R0.3 CNC(=O)NCC#N 273464a_100000734998_100102657272 [0,1,0,0,0,0|2,0,1]=4 962 B7R0.3 CNC(=O)NCC#N 273464a_100102657272_100000734998 [0,1,0,0,0,0|2,0,1]=4 963 B7R0.3 CNC(=O)NCC#N 512a_100000734998_100102657272 [0,1,0,0,0,0|2,0,1]=4 964 B7R0.3 CNC(=O)NCC#N 512a_106832991638_100000734998 [0,1,0,0,0,0|2,0,1]=4 965 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,1,0,0,0,0|2,0,0]=3 966 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,1,0,0,0,0|2,0,0]=3 967 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,1,0,0,0,0|2,0,0]=3 968 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,1,0,0,0,0|2,0,0]=3 969 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,1,0,0,0,0|2,0,0]=3 970 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,1,0,0,0,0|2,0,0]=3 971 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,1,0,0,0,0|2,0,0]=3 972 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,1,0,0,0,0|2,0,0]=3 973 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,1,0,0,0,0|2,0,1]=4 974 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,1,0,0,0,0|2,0,1]=4 975 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,1,0,0,0,0|1,0,0]=2 976 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,1,0,0,0,0|1,0,0]=2 977 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,1,0,0,0,0|1,0,0]=2 978 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,1,0,0,0,0|1,0,0]=2 979 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,1,0,0,0,0|1,0,0]=2 980 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,1,0,0,0,0|0,1,0]=2 981 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,1,0,0,0,0|0,1,0]=2 982 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,1,0,0,0,0|0,1,0]=2 983 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,1,0,0,0,0|0,1,0]=2 984 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,1,0,0,0,0|0,1,0]=2 985 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,1,0,0,0,0|0,1,0]=2 986 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,1,0,0,0,0|0,1,0]=2 987 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,1,0,0,0,0|1,1,0]=3 988 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,1,0,0,0,0|1,1,0]=3 989 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,1,0,0,0,0|1,1,0]=3 990 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,1,0,0,0,0|1,1,0]=3 991 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,1,0,0,0,0|1,1,1]=4 992 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,1,0,0,0,0|1,1,1]=4 993 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,1,0,0,0,0|1,1,1]=4 994 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [0,1,0,0,0,0|3,0,0]=4 995 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,1,0,0,0,0|2,0,0]=3 996 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,1,0,0,0,0|2,0,0]=3 997 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,1,0,0,0,0|0,1,0]=2 998 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,1,0,0,0,0|1,1,1]=4 999 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,1,0,0,0,0|2,0,0]=3 1000 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,1,0,0,0,0|2,0,0]=3 1001 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,1,0,0,0,0|2,0,1]=4 1002 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,1,0,0,0,0|2,0,1]=4 1003 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,1,0,0,0,0|2,0,0]=3 1004 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,1,0,0,0,0|2,0,0]=3 1005 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,1,0,0,0,0|3,0,0]=4 1006 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,1,0,0,0,0|3,0,0]=4 1007 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,1,0,0,0,0|3,0,0]=4 1008 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,1,0,0,0,0|3,0,0]=4 1009 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [0,1,0,0,0,0|3,0,0]=4 1010 B7R0.5 C#CCC(=O)C(=C)C 1458a_100000185857_100000184674 [0,1,0,0,0,0|1,0,2]=4 1011 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,1,0,0,0,0|1,0,2]=4 1012 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,1,0,0,0,0|1,0,2]=4 1013 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [0,1,0,0,0,0|1,0,2]=4 1014 B7R0.5 C#CCC(=O)N(C)C 1626a_100102631434_100011220946 [0,1,0,0,0,0|1,0,2]=4 1015 B7R0.5 C#CCC(=O)N(C)C 527a_100102631434_100011220946 [0,1,0,0,0,0|1,0,2]=4 1016 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [0,1,0,0,0,0|1,0,2]=4 1017 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [0,1,0,0,0,0|1,0,2]=4 1018 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,1,0,0,0,0|2,0,1]=4 1019 B7R0.5 C=C(C)C(=O)CC#N 1458a_100000185857_100011214920 [0,1,0,0,0,0|2,0,1]=4 1020 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,0,0,0,0|1,0,0]=2 1021 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,1,0,0,0,0|2,0,0]=3 1022 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,1,0,0,0,0|2,0,0]=3 1023 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,1,0,0,0,0|2,0,0]=3 1024 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [0,1,0,0,0,0|3,0,0]=4 1025 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,1,0,0,0,0|2,0,1]=4 1026 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,1,0,0,0,0|2,0,1]=4 1027 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,1,0,0,0,0|1,0,2]=4 1028 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,1,0,0,0,0|1,0,2]=4 1029 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,1,0,0,0,0|1,0,2]=4 1030 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,1,0,0,0,0|1,0,2]=4 1031 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,1,0,0,0,0|1,0,2]=4 1032 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,1,0,0,0,0|1,0,2]=4 1033 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,1,0,0,0,0|1,0,2]=4 1034 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,1,0,0,0,0|1,0,2]=4 1035 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,1,0,0,0,0|1,0,2]=4 1036 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,1,0,0,0,0|1,0,2]=4 1037 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,1,0,0,0,0|1,0,2]=4 1038 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|2,0,0]=3 1039 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|2,0,0]=3 1040 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,1,0,0,0,0|2,0,1]=4 1041 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,1,0,0,0,0|2,0,1]=4 1042 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,1,0,0,0,0|2,0,0]=3 1043 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,1,0,0,0,0|2,0,0]=3 1044 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,1,0,0,0,0|2,0,0]=3 1045 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,1,0,0,0,0|2,0,0]=3 1046 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,1,0,0,0,0|2,0,0]=3 1047 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [0,1,0,0,0,0|2,0,1]=4 1048 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,1,0,0,0,0|2,0,0]=3 1049 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,1,0,0,0,0|2,0,0]=3 1050 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,0,0,0,0|2,0,1]=4 1051 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,0,0,0,0|2,0,1]=4 1052 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,1,0,0,0,0|1,0,2]=4 1053 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,1,0,0,0,0|1,0,2]=4 1054 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,1,0,0,0,0|1,0,2]=4 1055 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,1,0,0,0,0|1,0,2]=4 1056 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,1,0,0,0,0|1,0,0]=2 1057 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,1,0,0,0,0|1,0,0]=2 1058 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,1,0,0,0,0|1,0,0]=2 1059 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,1,0,0,0,0|2,0,0]=3 1060 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,1,0,0,0,0|1,0,0]=2 1061 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,1,0,0,0,0|1,0,0]=2 1062 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,1,0,0,0,0|1,0,0]=2 1063 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,1,0,0,0,0|1,0,0]=2 1064 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,0,0,0,0|1,0,0]=2 1065 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,0,0,0,0|1,0,0]=2 1066 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,0,0,0,0|2,0,1]=4 1067 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,0,0,0,0|2,0,1]=4 1068 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,0,0,0,0|2,0,1]=4 1069 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,1,0,0,0,0|2,0,1]=4 1070 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,1,0,0,0,0|2,0,1]=4 1071 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,1,0,0,0,0|2,0,1]=4 1072 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,1,0,0,0,0|3,0,0]=4 1073 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,1,0,0,0,0|3,0,0]=4 1074 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,1,0,0,0,0|3,0,0]=4 1075 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,1,0,0,0,0|3,0,0]=4 1076 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,1,0,0,0,0|3,0,0]=4 1077 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,1,0,0,0,0|3,0,0]=4 1078 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,1,0,0,0,0|3,0,0]=4 1079 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,1,0,0,0,0|3,0,0]=4 1080 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,1,0,0,0,0|3,0,0]=4 1081 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,1,0,0,0,0|3,0,0]=4 1082 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,1,0,0,0,0|3,0,0]=4 1083 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,0,0,0,0|1,0,2]=4 1084 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,1,0,0,0,0|1,0,2]=4 1085 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,0,0,0,0|2,0,0]=3 1086 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,1,0,0,0,0|3,0,0]=4 1087 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,0,0,0,0|2,0,0]=3 1088 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,0,0,0,0|2,0,0]=3 1089 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,0,0,0,0|2,0,0]=3 1090 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,0,0,0,0|2,0,0]=3 1091 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,1,0,0,0,0|2,0,0]=3 1092 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,1,0,0,0,0|2,0,0]=3 1093 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,1,0,0,0,0|2,0,0]=3 1094 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,1,0,0,0,0|3,0,0]=4 1095 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,1,0,0,0,0|3,0,0]=4 1096 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,1,0,0,0,0|3,0,0]=4 1097 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,1,0,0,0,0|3,0,0]=4 1098 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,1,0,0,0,0|2,0,0]=3 1099 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,0,0,0,0|2,0,0]=3 1100 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,0,0,0,0|2,0,0]=3 1101 B7R0.5 CN(C)C(=O)CC#N 1626a_100102631434_100051588842 [0,1,0,0,0,0|2,0,1]=4 1102 B7R0.5 CN(C)C(=O)CC#N 240690a_100102631434_100051588842 [0,1,0,0,0,0|2,0,1]=4 1103 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,1,0,0,0,0|2,0,0]=3 1104 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,1,0,0,0,0|2,0,0]=3 1105 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,1,0,0,0,0|2,0,0]=3 1106 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,1,0,0,0,0|2,0,0]=3 1107 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|2,0,0]=3 1108 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,1,0,0,0,0|2,0,0]=3 1109 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,1,0,0,0,0|2,0,0]=3 1110 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,1,0,0,0,0|2,0,0]=3 1111 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,1,0,0,0,0|2,0,0]=3 1112 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,1,0,0,0,0|2,0,0]=3 1113 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,1,0,0,0,0|2,0,0]=3 1114 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,1,0,0,0,0|2,0,0]=3 1115 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,1,0,0,0,0|3,0,0]=4 1116 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,1,0,0,0,0|3,0,0]=4 1117 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,1,0,0,0,0|3,0,0]=4 1118 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,1,0,0,0,0|3,0,0]=4 1119 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|2,0,0]=3 1120 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,1,0,0,0,0|2,0,0]=3 1121 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,1,0,0,0,0|2,0,0]=3 1122 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,1,0,0,0,0|2,0,0]=3 1123 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,1,0,0,0,0|2,0,0]=3 1124 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,1,0,0,0,0|2,0,0]=3 1125 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,1,0,0,0,0|2,0,0]=3 1126 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,1,0,0,0,0|2,0,0]=3 1127 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|2,0,0]=3 1128 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|2,0,0]=3 1129 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,1,0,0,0,0|2,0,0]=3 1130 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,1,0,0,0,0|2,0,0]=3 1131 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,1,0,0,0,0|2,0,0]=3 1132 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,1,0,0,0,0|2,0,0]=3 1133 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,1,0,0,0,0|2,0,0]=3 1134 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,1,0,0,0,0|2,0,0]=3 1135 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,1,0,0,0,0|2,0,0]=3 1136 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,1,0,0,0,0|2,0,0]=3 1137 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,1,0,0,0,0|2,0,0]=3 1138 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [0,1,0,0,0,0|2,0,1]=4 1139 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,1,0,0,0,0|2,0,0]=3 1140 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,1,0,0,0,0|2,0,0]=3 1141 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [0,1,0,0,0,0|2,0,1]=4 1142 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,1,0,0,0,0|2,0,0]=3 1143 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,1,0,0,0,0|2,0,0]=3 1144 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [0,1,0,0,0,0|3,0,0]=4 1145 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,1,0,0,0,0|3,0,0]=4 1146 B7R0.7 C#CCC(=O)C#CC 1458a_100000763181_100000184674 [0,1,0,0,0,0|1,0,2]=4 1147 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [0,1,0,0,0,0|1,0,2]=4 1148 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,1,0,0,0,0|1,0,1]=3 1149 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,1,0,0,0,0|1,0,1]=3 1150 B7R0.7 C#CCC(=O)CCF 1458a_100011220946_100011217306 [0,1,0,0,0,0|1,0,2]=4 1151 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [0,1,0,0,0,0|1,0,2]=4 1152 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [0,1,0,0,0,0|1,0,2]=4 1153 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,1,0,0,0,0|0,1,2]=4 1154 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [0,1,0,0,0,0|0,0,2]=3 1155 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,1,0,0,0,0|1,0,2]=4 1156 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [0,1,0,0,0,0|1,0,2]=4 1157 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,1,0,0,0,0|1,0,2]=4 1158 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,0,0,0,0|1,0,1]=3 1159 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,0,0,0,0|1,0,1]=3 1160 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,1,0,0,0,0|1,0,2]=4 1161 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,1,0,0,0,0|1,0,2]=4 1162 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,1,0,0,0,0|1,0,2]=4 1163 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,1,0,0,0,0|0,1,2]=4 1164 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,1,0,0,0,0|0,0,2]=3 1165 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,0,0,0,0|1,0,2]=4 1166 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,0,0,0,0|1,0,2]=4 1167 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,0,0,0,0|1,0,2]=4 1168 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,1,0,0,0,0|1,0,2]=4 1169 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,1,0,0,0,0|1,1,1]=4 1170 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,1,0,0,0,0|1,1,1]=4 1171 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,1,0,0,0,0|1,1,1]=4 1172 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,1,0,0,0,0|1,0,2]=4 1173 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,1,0,0,0,0|1,0,2]=4 1174 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,1,0,0,0,0|1,0,2]=4 1175 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,1,0,0,0,0|1,0,2]=4 1176 B7R0.7 CC#CC(=O)CC#N 1458a_100000763181_100011214920 [0,1,0,0,0,0|2,0,1]=4 1177 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,1,0,0,0,0|1,0,0]=2 1178 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,1,0,0,0,0|2,0,0]=3 1179 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,1,0,0,0,0|2,0,0]=3 1180 B7R0.7 CC#CC(=O)NNC 22a_100016993582_100000763181 [0,1,0,0,0,0|1,0,2]=4 1181 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,1,0,0,0,0|2,0,1]=4 1182 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,1,0,0,0,0|2,0,1]=4 1183 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,1,0,0,0,0|2,0,1]=4 1184 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,0,0,0,0|1,0,0]=2 1185 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,1,0,0,0,0|2,0,0]=3 1186 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,1,0,0,0,0|2,0,0]=3 1187 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,1,0,0,0,0|2,0,0]=3 1188 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,1,0,0,0,0|2,0,0]=3 1189 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,1,0,0,0,0|1,0,2]=4 1190 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,1,0,0,0,0|1,0,1]=3 1191 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,1,0,0,0,0|1,0,1]=3 1192 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,1,0,0,0,0|1,0,1]=3 1193 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,1,0,0,0,0|1,0,1]=3 1194 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,1,0,0,0,0|1,0,1]=3 1195 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,1,0,0,0,0|1,0,0]=2 1196 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,1,0,0,0,0|1,0,0]=2 1197 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,1,0,0,0,0|1,0,0]=2 1198 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,1,0,0,0,0|1,0,0]=2 1199 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,0,0,0,0|1,0,0]=2 1200 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,0,0,0,0|1,0,0]=2 1201 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,1,0,0,0,0|0,1,0]=2 1202 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,1,0,0,0,0|0,0,0]=1 1203 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,1,0,0,0,0|0,0,0]=1 1204 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,1,0,0,0,0|0,0,0]=1 1205 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,1,0,0,0,0|0,0,0]=1 1206 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,1,0,0,0,0|0,0,0]=1 1207 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,0,0,0,0|1,0,0]=2 1208 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,0,0,0,0|1,0,0]=2 1209 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,0,0,0,0|1,0,0]=2 1210 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,1,0,0,0,0|1,0,0]=2 1211 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,1,0,0,0,0|2,0,1]=4 1212 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,1,0,0,0,0|2,0,1]=4 1213 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,1,0,0,0,0|2,0,1]=4 1214 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,1,0,0,0,0|2,0,1]=4 1215 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,1,0,0,0,0|1,1,1]=4 1216 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,1,0,0,0,0|1,1,1]=4 1217 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,1,0,0,0,0|1,1,1]=4 1218 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,1,0,0,0,0|1,1,1]=4 1219 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,1,0,0,0,0|1,1,1]=4 1220 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,1,0,0,0,0|1,0,1]=3 1221 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,1,0,0,0,0|1,0,1]=3 1222 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,1,0,0,0,0|1,0,1]=3 1223 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,1,0,0,0,0|1,0,1]=3 1224 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,1,0,0,0,0|2,0,1]=4 1225 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,1,0,0,0,0|2,0,1]=4 1226 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,1,0,0,0,0|2,0,1]=4 1227 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,1,0,0,0,0|1,1,1]=4 1228 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,1,0,0,0,0|1,1,1]=4 1229 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,1,0,0,0,0|1,1,1]=4 1230 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,1,0,0,0,0|1,1,1]=4 1231 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,1,0,0,0,0|1,1,1]=4 1232 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,1,0,0,0,0|1,0,1]=3 1233 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,1,0,0,0,0|1,0,1]=3 1234 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,1,0,0,0,0|1,0,1]=3 1235 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,1,0,0,0,0|1,0,1]=3 1236 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,1,0,0,0,0|3,0,0]=4 1237 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,1,0,0,0,0|3,0,0]=4 1238 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,1,0,0,0,0|3,0,0]=4 1239 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,1,0,0,0,0|3,0,0]=4 1240 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [0,1,0,0,0,0|3,0,0]=4 1241 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [0,1,0,0,0,0|3,0,0]=4 1242 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,1,0,0,0,0|3,0,0]=4 1243 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,1,0,0,0,0|3,0,0]=4 1244 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,1,0,0,0,0|3,0,0]=4 1245 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,1,0,0,0,0|3,0,0]=4 1246 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,1,0,0,0,0|3,0,0]=4 1247 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,1,0,0,0,0|3,0,0]=4 1248 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,1,0,0,0,0|2,1,0]=4 1249 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,1,0,0,0,0|2,1,0]=4 1250 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,1,0,0,0,0|2,0,0]=3 1251 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,1,0,0,0,0|2,0,0]=3 1252 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,1,0,0,0,0|3,0,0]=4 1253 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,1,0,0,0,0|3,0,0]=4 1254 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,1,0,0,0,0|3,0,0]=4 1255 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,1,0,0,0,0|3,0,0]=4 1256 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,1,0,0,0,0|1,1,1]=4 1257 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,1,0,0,0,0|1,1,1]=4 1258 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,1,0,0,0,0|2,0,1]=4 1259 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,1,0,0,0,0|2,0,1]=4 1260 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,1,0,0,0,0|2,0,1]=4 1261 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,1,0,0,0,0|2,0,1]=4 1262 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,1,0,0,0,0|2,0,0]=3 1263 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,1,0,0,0,0|2,0,0]=3 1264 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,1,0,0,0,0|2,0,0]=3 1265 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,1,0,0,0,0|2,0,0]=3 1266 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,1,0,0,0,0|2,0,0]=3 1267 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,1,0,0,0,0|2,0,0]=3 1268 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,1,0,0,0,0|1,1,0]=3 1269 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,1,0,0,0,0|1,1,0]=3 1270 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,1,0,0,0,0|1,1,0]=3 1271 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,1,0,0,0,0|1,1,0]=3 1272 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,1,0,0,0,0|1,0,0]=2 1273 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,1,0,0,0,0|1,0,0]=2 1274 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,1,0,0,0,0|1,0,0]=2 1275 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,1,0,0,0,0|1,0,0]=2 1276 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,1,0,0,0,0|1,0,0]=2 1277 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,1,0,0,0,0|1,0,0]=2 1278 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,1,0,0,0,0|1,0,0]=2 1279 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,1,0,0,0,0|2,0,0]=3 1280 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,1,0,0,0,0|2,0,0]=3 1281 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,1,0,0,0,0|2,0,0]=3 1282 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,1,0,0,0,0|2,0,0]=3 1283 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,1,0,0,0,0|2,0,0]=3 1284 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,1,0,0,0,0|2,0,0]=3 1285 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,1,0,0,0,0|2,0,1]=4 1286 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,1,0,0,0,0|1,1,0]=3 1287 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,1,0,0,0,0|1,1,0]=3 1288 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,1,0,0,0,0|1,1,0]=3 1289 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,1,0,0,0,0|1,1,0]=3 1290 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,1,0,0,0,0|1,0,0]=2 1291 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,1,0,0,0,0|1,0,0]=2 1292 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,1,0,0,0,0|1,0,0]=2 1293 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,1,0,0,0,0|1,0,0]=2 1294 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,1,0,0,0,0|2,0,1]=4 1295 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,1,0,0,0,0|2,0,1]=4 1296 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,1,0,0,0,0|2,0,1]=4 1297 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,1,0,0,0,0|2,0,1]=4 1298 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,1,0,0,0,0|2,0,0]=3 1299 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,1,0,0,0,0|2,0,0]=3 1300 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,1,0,0,0,0|2,0,0]=3 1301 B7R0.7 CNNC(=O)CC#N 22a_100016993582_100051588842 [0,1,0,0,0,0|2,0,1]=4 1302 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,1,0,0,0,0|2,0,0]=3 1303 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,1,0,0,0,0|2,0,0]=3 1304 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,1,0,0,0,0|2,0,0]=3 1305 B7R0.7 CNNC(=O)NNC 512a_100016993582_100016993582 [0,1,0,0,0,0|3,0,0]=4 1306 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,1,0,0,0,0|1,1,1]=4 1307 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,1,0,0,0,0|1,1,0]=3 1308 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,1,0,0,0,0|1,1,0]=3 1309 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,1,0,0,0,0|2,0,0]=3 1310 B7R0.7 COCC(C)SCF 62a_100000765312_100015361967 [0,1,0,0,0,0|2,0,1]=4 1311 B7R0.7 COCC(C)SCF 62a_100015361967_100000765312 [0,1,0,0,0,0|2,0,1]=4 1312 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [0,1,0,0,0,0|1,0,2]=4 1313 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [0,1,0,0,0,0|1,0,2]=4 1314 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [0,1,0,0,0,0|1,0,2]=4 1315 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [0,1,0,0,0,0|1,0,2]=4 1316 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [0,1,0,0,0,0|1,0,1]=3 1317 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,1,0,0,0,0|1,0,0]=2 1318 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,1,0,0,0,0|1,0,0]=2 1319 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,1,0,0,0,0|2,0,0]=3 1320 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,1,0,0,0,0|2,0,0]=3 1321 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [0,1,0,0,0,0|3,0,0]=4 1322 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [0,1,0,0,0,0|3,0,0]=4 1323 B7R0.7 N#CCC(=O)CCF 1458a_100051588842_100011217306 [0,1,0,0,0,0|2,0,1]=4 1324 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [0,1,0,0,0,0|2,0,1]=4 1325 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [0,1,0,0,0,0|2,0,1]=4 1326 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,1,0,0,0,0|2,0,1]=4 1327 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,1,0,0,0,0|2,0,1]=4 1328 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,1,0,0,0,0|2,0,1]=4 1329 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,1,0,0,0,0|2,0,1]=4 1330 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,1,0,0,0,0|2,0,1]=4 1331 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,1,0,0,0,0|2,0,1]=4 1332 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,1,0,0,0,0|2,0,0]=3 1333 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,1,0,0,0,0|2,0,0]=3 1334 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,1,0,0,0,0|2,0,0]=3 1335 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,1,0,0,0,0|2,0,0]=3 1336 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,1,0,0,0,0|1,0,1]=3 1337 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,1,0,0,0,0|1,0,2]=4 1338 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,0,0,0,0|1,0,2]=4 1339 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,0,0,0,0|1,0,2]=4 1340 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,0,0,0,0|1,0,2]=4 1341 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,1,0,0,0,0|3,0,0]=4 1342 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,0,0,0,0|1,0,1]=3 1343 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,1,0,0,0,0|2,0,1]=4 1344 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,1,0,0,0,0|2,0,1]=4 1345 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,0,0,0,0|1,0,2]=4 1346 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,1,0,0,0,0|1,0,2]=4 1347 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,1,0,0,0,0|1,0,2]=4 1348 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,1,0,0,0,0|1,0,2]=4 1349 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,1,0,0,0,0|1,0,2]=4 1350 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [0,1,0,0,0,0|3,0,0]=4 1351 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,0,0,0,0|1,0,1]=3 1352 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,1,0,0,0,0|2,0,1]=4 1353 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,1,0,0,0,0|2,0,1]=4 1354 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|1,0,0]=2 1355 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|1,0,0]=2 1356 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,0,0,0,0|2,0,0]=3 1357 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,0,0,0,0|2,0,0]=3 1358 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,0,0,0,0|2,0,0]=3 1359 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,0,0,0,0|2,0,0]=3 1360 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,0,0,0,0|2,0,0]=3 1361 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,0,0,0,0|2,0,0]=3 1362 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,0,0,0,0|2,0,0]=3 1363 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,0,0,0,0|2,0,0]=3 1364 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,0,0,0,0|1,0,0]=2 1365 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,0,0,0,0|2,0,0]=3 1366 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 1367 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 1368 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 1369 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 1370 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,0,0,0,0|2,0,0]=3 1371 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|2,0,0]=3 1372 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,0,0,0,0|1,0,0]=2 1373 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,0,0,0,0|1,0,0]=2 1374 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,0,0,0,0|1,0,0]=2 1375 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,0,0,0,0|1,0,0]=2 1376 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,1,0,0,0,0|2,0,1]=4 1377 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,1,0,0,0,0|2,0,1]=4 1378 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,1,0,0,0,0|1,1,1]=4 1379 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,1,0,0,0,0|1,1,1]=4 1380 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,1,0,0,0,0|3,0,0]=4 1381 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,1,0,0,0,0|3,0,0]=4 1382 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,1,0,0,0,0|3,0,0]=4 1383 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,1,0,0,0,0|3,0,0]=4 1384 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,1,0,0,0,0|3,0,0]=4 1385 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,1,0,0,0,0|3,0,0]=4 1386 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,1,0,0,0,0|3,0,0]=4 1387 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,1,0,0,0,0|3,0,0]=4 1388 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,0,0,0,0|2,0,0]=3 1389 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,0,0,0,0|1,0,0]=2 1390 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,0,0,0,0|3,0,0]=4 1391 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,0,0,0,0|3,0,0]=4 1392 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,1,0,0,0,0|2,0,0]=3 1393 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,1,0,0,0,0|2,0,0]=3 1394 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,1,0,0,0,0|2,0,1]=4 1395 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,1,0,0,0,0|2,0,1]=4 1396 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,1,0,0,0,0|2,0,1]=4 1397 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,1,0,0,0,0|2,0,1]=4 1398 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,1,0,0,0,0|1,1,1]=4 1399 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,1,0,0,0,0|1,1,1]=4 1400 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,1,0,0,0,0|1,1,1]=4 1401 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,1,0,0,0,0|1,1,1]=4 1402 B7R0.10 CNC(=O)C(C)C#N 11a_106832991635_100000753662 [0,1,0,0,0,0|2,0,1]=4 1403 B7R0.10 CNC(=O)C(C)C#N 1626a_100102657272_100000753662 [0,1,0,0,0,0|2,0,1]=4 1404 B7R0.10 CNC(=O)C(C)C#N 240690a_100102657272_100000753662 [0,1,0,0,0,0|2,0,1]=4 1405 B7R0.10 CNC(=O)C(C)C#N 527a_100102657272_100000753662 [0,1,0,0,0,0|2,0,1]=4 1406 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,1,0,0,0,0|2,0,0]=3 1407 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,1,0,0,0,0|2,0,0]=3 1408 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,1,0,0,0,0|2,0,0]=3 1409 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,1,0,0,0,0|2,0,0]=3 1410 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,1,0,0,0,0|2,0,0]=3 1411 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,1,0,0,0,0|2,0,0]=3 1412 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,1,0,0,0,0|2,0,0]=3 1413 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,1,0,0,0,0|2,0,0]=3 1414 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,1,0,0,0,0|2,0,0]=3 1415 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,1,0,0,0,0|2,0,0]=3 1416 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,1,0,0,0,0|2,0,0]=3 1417 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,1,0,0,0,0|2,0,0]=3 1418 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,1,0,0,0,0|2,0,0]=3 1419 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,1,0,0,0,0|2,0,0]=3 1420 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,1,0,0,0,0|2,0,0]=3 1421 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,1,0,0,0,0|2,0,0]=3 1422 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,1,0,0,0,0|2,0,0]=3 1423 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,1,0,0,0,0|2,0,0]=3 1424 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,1,0,0,0,0|2,0,0]=3 1425 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,1,0,0,0,0|2,0,0]=3 1426 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [0,1,0,0,0,0|2,0,0]=3 1427 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [0,1,0,0,0,0|2,0,0]=3 1428 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [0,1,0,0,0,0|2,0,0]=3 1429 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [0,1,0,0,0,0|2,0,0]=3 1430 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,1,0,0,0,0|2,0,0]=3 1431 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,1,0,0,0,0|2,0,0]=3 1432 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,1,0,0,0,0|2,0,0]=3 1433 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,1,0,0,0,0|2,0,0]=3 1434 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,1,0,0,0,0|2,0,0]=3 1435 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,1,0,0,0,0|1,1,0]=3 1436 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,1,0,0,0,0|1,1,0]=3 1437 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,1,0,0,0,0|1,1,0]=3 1438 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,1,0,0,0,0|1,1,0]=3 1439 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,1,0,0,0,0|1,1,0]=3 1440 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,1,0,0,0,0|1,1,0]=3 1441 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,1,0,0,0,0|1,1,0]=3 1442 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,1,0,0,0,0|1,1,0]=3 1443 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,1,0,0,0,0|1,1,0]=3 1444 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,1,0,0,0,0|1,1,0]=3 1445 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,1,0,0,0,0|3,0,0]=4 1446 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [0,1,0,0,0,0|3,0,0]=4 1447 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,1,0,0,0,0|3,0,0]=4 1448 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,1,0,0,0,0|3,0,0]=4 1449 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,1,0,0,0,0|1,1,1]=4 1450 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,1,0,0,0,0|1,1,1]=4 1451 B7R0.11 CCCS(=O)(=O)NC 270084a_100102657272_100000211391 [0,1,0,0,0,0|2,0,0]=3 1452 B7R0.11 CCCS(=O)(=O)NC 274078a_100102657272_100000211391 [0,1,0,0,0,0|2,0,0]=3 1453 B7R0.11 CCCS(=O)(=O)NC 40a_100102657272_100000054278 [0,1,0,0,0,0|2,0,0]=3 1454 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [0,1,0,0,0,0|3,0,0]=4 1455 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [0,1,0,0,0,0|3,0,0]=4 1456 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [0,1,0,0,0,0|3,0,0]=4 1457 B7R0.11 CNCC(C)(C)SC 270004a_106832991635_100009845794 [0,1,0,0,0,0|2,0,1]=4 1458 B7R0.11 CNS(=O)(=O)CCBr 270084a_100102657272_100000731045 [0,1,0,0,0,0|3,0,0]=4 1459 B7R0.11 CNS(=O)(=O)CCBr 274078a_100102657272_100000731045 [0,1,0,0,0,0|3,0,0]=4 1460 B7R0.11 CNS(=O)(=O)CCCl 270084a_100102657272_100000184613 [0,1,0,0,0,0|3,0,0]=4 1461 B7R0.11 CNS(=O)(=O)CCCl 274078a_100102657272_100000184613 [0,1,0,0,0,0|3,0,0]=4 1462 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [0,1,0,0,0,0|1,1,1]=4 1463 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [0,1,0,0,0,0|1,1,1]=4 1464 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [0,1,0,0,0,0|1,1,1]=4 1465 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [0,1,0,0,0,0|1,1,1]=4 1466 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,1,0,0,0,0|1,1,1]=4 1467 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,1,0,0,0,0|1,1,1]=4 1468 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,1,0,0,0,0|1,1,1]=4 1469 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,1,0,0,0,0|1,1,1]=4 1470 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [0,1,0,0,0,0|1,1,1]=4 1471 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [0,1,0,0,0,0|1,1,1]=4 1472 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [0,1,0,0,0,0|1,1,1]=4 1473 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [0,1,0,0,0,0|1,1,1]=4 1474 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,1,0,0,0,0|2,0,1]=4 1475 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,1,0,0,0,0|2,0,1]=4 1476 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,1,0,0,0,0|2,0,1]=4 1477 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,1,0,0,0,0|2,0,1]=4 1478 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,1,0,0,0,0|1,0,2]=4 1479 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,1,0,0,0,0|1,0,2]=4 1480 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,1,0,0,0,0|1,0,2]=4 1481 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,1,0,0,0,0|1,0,2]=4 1482 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,1,0,0,0,0|1,0,1]=3 1483 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,1,0,0,0,0|1,0,1]=3 1484 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,1,0,0,0,0|1,0,1]=3 1485 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,1,0,0,0,0|1,0,1]=3 1486 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [0,1,0,0,0,0|3,0,0]=4 1487 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [0,1,0,0,0,0|3,0,0]=4 1488 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [0,1,0,0,0,0|3,0,0]=4 1489 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [0,1,0,0,0,0|3,0,0]=4 1490 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [0,1,0,0,0,0|3,0,0]=4 1491 B7R0.12 CCCN(CC)CF 269982a_100000226822_100015361967 [0,1,0,0,0,0|3,0,0]=4 1492 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,1,0,0,0,0|1,0,2]=4 1493 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,1,0,0,0,0|1,0,2]=4 1494 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,1,0,0,0,0|1,0,2]=4 1495 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,1,0,0,0,0|1,0,2]=4 1496 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [0,0,0,1,0,0|3,0,0]=4 1497 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [0,0,0,1,0,0|3,0,0]=4 1498 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,0,0,1,0,0|2,0,1]=4 1499 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,0,0,1,0,0|2,0,1]=4 1500 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,0,0,1,0,0|2,0,1]=4 1501 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,0,0,1,0,0|2,0,1]=4 1502 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,0,0,1,0,0|2,0,1]=4 1503 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,0,0,1,0,0|2,0,1]=4 1504 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,0,0,1,0,0|1,1,1]=4 1505 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,0,0,1,0,0|1,1,1]=4 1506 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,0,0,1,0,0|1,1,1]=4 1507 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,0,0,1,0,0|0,1,2]=4 1508 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,0,0,1,0,0|1,0,1]=3 1509 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,0,0,1,0,0|1,0,1]=3 1510 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,0,0,1,0,0|2,0,1]=4 1511 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,0,0,1,0,0|2,0,1]=4 1512 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,0,0,1,0,0|2,0,1]=4 1513 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,0,0,1,0,0|1,1,1]=4 1514 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,0,0,1,0,0|1,1,1]=4 1515 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,0,0,1,0,0|0,1,2]=4 1516 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,0,0,1,0,0|1,0,1]=3 1517 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,0,0,1,0,0|1,0,1]=3 1518 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,0,0,1,0,0|2,0,1]=4 1519 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,1,0,0|2,0,0]=3 1520 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 1521 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 1522 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 1523 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 1524 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 1525 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 1526 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,1,0,0|2,0,0]=3 1527 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,1,0,0|2,0,1]=4 1528 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,1,0,0|2,0,1]=4 1529 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,1,0,0|2,0,1]=4 1530 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,1,0,0|2,0,1]=4 1531 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,1,0,0|2,0,1]=4 1532 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,1,0,0|2,0,1]=4 1533 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,1,0,0|2,0,1]=4 1534 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,1,0,0|2,0,1]=4 1535 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,1,0,0|2,0,1]=4 1536 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,1,0,0|2,0,1]=4 1537 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [0,0,0,1,0,0|3,0,0]=4 1538 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,0,0,1,0,0|2,0,0]=3 1539 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,0,0,1,0,0|2,0,0]=3 1540 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,0,0,1,0,0|2,0,0]=3 1541 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,0,0,1,0,0|2,0,0]=3 1542 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,0,0,1,0,0|2,0,0]=3 1543 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,0,0,1,0,0|2,0,0]=3 1544 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,0,0,1,0,0|2,0,0]=3 1545 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [0,0,0,1,0,0|3,0,0]=4 1546 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [0,0,0,1,0,0|3,0,0]=4 1547 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [0,0,0,1,0,0|3,0,0]=4 1548 B7R1.10 CSC1CN(C1)C 269982a_100016990038_200000210301 [0,0,0,1,0,0|2,0,1]=4 1549 B7R1.10 CSC1CN(C1)[13CH3] 269982a_100016990038_200025704644 [0,0,0,1,0,0|2,0,1]=4 1550 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,0,0,1,0,0|2,0,1]=4 1551 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,0,0,1,0,0|2,0,1]=4 1552 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,0,0,1,0,0|1,1,1]=4 1553 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,0,0,1,0,0|1,1,1]=4 1554 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,0,1,0,0|1,0,0]=2 1555 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,0,1,0,0|2,0,0]=3 1556 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [0,0,0,1,0,0|3,0,0]=4 1557 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [0,0,0,1,0,0|3,0,0]=4 1558 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [0,0,0,1,0,0|3,0,0]=4 1559 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [0,0,0,1,0,0|3,0,0]=4 1560 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [0,0,0,1,0,0|3,0,0]=4 1561 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [0,0,0,1,0,0|3,0,0]=4 1562 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [0,0,0,1,0,0|3,0,0]=4 1563 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,0,0,1,0,0|1,0,0]=2 1564 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,0,0,1,0,0|1,0,0]=2 1565 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,0,0,1,0,0|1,0,0]=2 1566 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,0,0,1,0,0|1,0,0]=2 1567 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,0,0,1,0,0|2,0,0]=3 1568 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,0,0,1,0,0|2,0,0]=3 1569 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,0,0,1,0,0|2,0,0]=3 1570 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,0,0,1,0,0|2,0,0]=3 1571 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,0,0,1,0,0|2,0,1]=4 1572 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,0,0,1,0,0|2,0,1]=4 1573 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,0,0,1,0,0|2,0,1]=4 1574 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,0,0,1,0,0|1,1,1]=4 1575 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,0,0,1,0,0|1,1,1]=4 1576 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,0,0,1,0,0|2,0,0]=3 1577 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,0,0,1,0,0|3,0,0]=4 1578 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [0,0,0,1,0,0|2,0,1]=4 1579 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [0,0,0,1,0,0|2,0,1]=4 1580 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,0,0,1,0,0|1,1,1]=4 1581 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,0,0,1,0,0|1,1,1]=4 1582 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [0,0,0,1,0,0|2,0,1]=4 1583 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [0,0,0,1,0,0|2,0,1]=4 1584 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,0,0,1,0,0|1,1,1]=4 1585 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,0,0,1,0,0|1,1,1]=4 1586 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [2,0,0,0,0,0|0,0,2]=4 1587 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [2,0,0,0,0,0|0,0,2]=4 1588 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|0,0,2]=4 1589 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|0,0,2]=4 1590 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,0]=3 1591 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,0]=3 1592 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [2,0,0,0,0,0|1,0,1]=4 1593 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [2,0,0,0,0,0|1,0,1]=4 1594 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,0]=2 1595 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,0]=2 1596 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,0]=2 1597 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|2,0,0]=4 1598 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|2,0,0]=4 1599 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|2,0,0]=4 1600 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|2,0,0]=4 1601 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|2,0,0]=4 1602 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|2,0,0]=4 1603 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,0]=3 1604 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 1605 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 1606 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,0]=3 1607 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [2,0,0,0,0,0|1,0,1]=4 1608 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [2,0,0,0,0,0|1,0,1]=4 1609 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,0]=3 1610 B4R0.2 C#CCSC 62a_100000038162_200000210301 [2,0,0,0,0,0|0,0,2]=4 1611 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [2,0,0,0,0,0|0,0,2]=4 1612 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 1613 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 1614 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 1615 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 1616 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 1617 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|1,0,1]=4 1618 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|1,0,1]=4 1619 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|1,0,1]=4 1620 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|0,0,2]=4 1621 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|0,0,2]=4 1622 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|0,0,2]=4 1623 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|0,0,2]=4 1624 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 1625 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,0]=3 1626 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 1627 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|0,1,0]=3 1628 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|0,1,0]=3 1629 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|0,1,0]=3 1630 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|0,0,0]=2 1631 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|0,0,0]=2 1632 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|0,0,0]=2 1633 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|0,0,0]=2 1634 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|1,0,1]=4 1635 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|1,0,1]=4 1636 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|1,0,1]=4 1637 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 1638 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,0]=3 1639 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 1640 B4R0.2 CNCCF 2230a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 1641 B4R0.2 CNCCF 34a_100000724931_200000210301 [2,0,0,0,0,0|2,0,0]=4 1642 B4R0.2 CNCCF 34a_100102657272_100011217306 [2,0,0,0,0,0|2,0,0]=4 1643 B4R0.2 CNCCF 7a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 1644 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|2,0,0]=4 1645 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|2,0,0]=4 1646 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|2,0,0]=4 1647 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|2,0,0]=4 1648 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|2,0,0]=4 1649 B4R0.2 CNCOC 2230a_106832991635_100000766300 [2,0,0,0,0,0|1,1,0]=4 1650 B4R0.2 CNCSC 2230a_106832991635_100011218213 [2,0,0,0,0,0|1,0,0]=3 1651 B4R0.2 CNCSC 34a_100102657272_100011218213 [2,0,0,0,0,0|1,0,0]=3 1652 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,0]=3 1653 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|1,1,0]=4 1654 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|1,1,0]=4 1655 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|1,1,0]=4 1656 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|1,1,0]=4 1657 B4R0.2 COCSC 34a_100138415774_100011218213 [2,0,0,0,0,0|1,0,0]=3 1658 B4R0.2 COCSC 62a_100000766300_200000210301 [2,0,0,0,0,0|1,0,0]=3 1659 B4R0.2 COCSC 62a_200000210301_100000766300 [2,0,0,0,0,0|1,0,0]=3 1660 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [2,0,0,0,0,0|1,0,0]=3 1661 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [2,0,0,0,0,0|1,0,0]=3 1662 B4R0.2 CSCC#N 62a_100011215382_200000210301 [2,0,0,0,0,0|1,0,1]=4 1663 B4R0.2 CSCC#N 62a_200000210301_100011215382 [2,0,0,0,0,0|1,0,1]=4 1664 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,0]=3 1665 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,0]=3 1666 B4R0.2 CSCCF 62a_100011217306_200000210301 [2,0,0,0,0,0|1,0,0]=3 1667 B4R0.2 CSCCF 62a_200000210301_100011217306 [2,0,0,0,0,0|1,0,0]=3 1668 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|1,0,0]=3 1669 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|1,0,0]=3 1670 B4R0.2 CSCSC 62a_100011218213_200000210301 [2,0,0,0,0,0|1,0,0]=3 1671 B4R0.2 CSCSC 62a_200000210301_100011218213 [2,0,0,0,0,0|1,0,0]=3 1672 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [2,0,0,0,0,0|1,0,0]=3 1673 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [2,0,0,0,0,0|1,0,0]=3 1674 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [2,0,0,0,0,0|2,0,0]=4 1675 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|2,0,0]=4 1676 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|2,0,0]=4 1677 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|1,1,0]=4 1678 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|1,1,0]=4 1679 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [2,0,0,0,0,0|1,0,1]=4 1680 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [2,0,0,0,0,0|1,0,1]=4 1681 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,0]=3 1682 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,0]=3 1683 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [2,0,0,0,0,0|1,0,0]=3 1684 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [2,0,0,0,0,0|1,0,0]=3 1685 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|1,0,0]=3 1686 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|1,0,0]=3 1687 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,1,0,0,0,0|0,0,1]=3 1688 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [1,1,0,0,0,0|2,0,0]=4 1689 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [1,1,0,0,0,0|2,0,0]=4 1690 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [1,1,0,0,0,0|2,0,0]=4 1691 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [1,1,0,0,0,0|2,0,0]=4 1692 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [1,1,0,0,0,0|2,0,0]=4 1693 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [1,1,0,0,0,0|2,0,0]=4 1694 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [1,1,0,0,0,0|0,0,2]=4 1695 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,1,0,0,0,0|0,0,2]=4 1696 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,1,0,0,0,0|0,0,2]=4 1697 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,1,0,0,0,0|0,0,2]=4 1698 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,1,0,0,0,0|0,0,2]=4 1699 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,1,0,0,0,0|0,0,2]=4 1700 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,1,0,0,0,0|0,0,2]=4 1701 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,1,0,0,0,0|1,0,1]=4 1702 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,1,0,0,0,0|1,0,1]=4 1703 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,1,0,0,0,0|0,1,1]=4 1704 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|0,0,0]=2 1705 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|0,0,0]=2 1706 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|0,0,0]=2 1707 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,1,0,0,0,0|1,0,0]=3 1708 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,1,0,0,0,0|1,0,0]=3 1709 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|0,0,0]=2 1710 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [1,1,0,0,0,0|2,0,0]=4 1711 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,1,0,0,0,0|1,0,0]=3 1712 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 1713 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 1714 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 1715 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|1,0,0]=3 1716 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|0,0,0]=2 1717 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [1,1,0,0,0,0|2,0,0]=4 1718 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [1,1,0,0,0,0|2,0,0]=4 1719 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [1,1,0,0,0,0|2,0,0]=4 1720 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [1,1,0,0,0,0|2,0,0]=4 1721 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [1,1,0,0,0,0|2,0,0]=4 1722 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [1,1,0,0,0,0|2,0,0]=4 1723 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [1,1,0,0,0,0|2,0,0]=4 1724 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [1,1,0,0,0,0|2,0,0]=4 1725 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [1,1,0,0,0,0|2,0,0]=4 1726 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [1,1,0,0,0,0|2,0,0]=4 1727 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [1,1,0,0,0,0|2,0,0]=4 1728 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [1,1,0,0,0,0|2,0,0]=4 1729 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [1,1,0,0,0,0|2,0,0]=4 1730 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,1,0,0,0,0|2,0,0]=4 1731 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,1,0,0,0,0|2,0,0]=4 1732 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,1,0,0,0,0|2,0,0]=4 1733 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,1,0,0,0,0|1,1,0]=4 1734 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,1,0,0,0,0|1,0,0]=3 1735 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,1,0,0,0,0|1,1,0]=4 1736 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,1,0,0,0,0|2,0,0]=4 1737 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,1,0,0,0,0|1,1,0]=4 1738 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|0,0,0]=2 1739 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [1,1,0,0,0,0|2,0,0]=4 1740 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [1,1,0,0,0,0|2,0,0]=4 1741 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,1,0,0,0,0|1,0,0]=3 1742 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,1,0,0,0,0|1,0,1]=4 1743 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [1,1,0,0,0,0|0,0,2]=4 1744 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,1,0,0,0,0|0,0,2]=4 1745 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,1,0,0,0,0|0,0,2]=4 1746 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,1,0,0,0,0|1,0,1]=4 1747 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [1,1,0,0,0,0|2,0,0]=4 1748 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [1,1,0,0,0,0|0,0,2]=4 1749 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [1,1,0,0,0,0|0,0,2]=4 1750 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [1,1,0,0,0,0|1,0,1]=4 1751 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [1,1,0,0,0,0|1,0,1]=4 1752 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,1,0,0,0,0|1,0,0]=3 1753 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,1,0,0,0,0|1,0,0]=3 1754 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,1,0,0,0,0|1,0,0]=3 1755 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,1,0,0,0,0|1,0,0]=3 1756 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [1,1,0,0,0,0|1,0,1]=4 1757 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,1,0,0,0,0|2,0,0]=4 1758 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,1,0,0,0,0|2,0,0]=4 1759 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,1,0,0,0,0|0,0,0]=2 1760 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,1,0,0,0,0|0,0,0]=2 1761 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,1,0,0,0,0|0,0,0]=2 1762 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [1,1,0,0,0,0|2,0,0]=4 1763 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [1,1,0,0,0,0|2,0,0]=4 1764 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [1,1,0,0,0,0|2,0,0]=4 1765 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [1,1,0,0,0,0|2,0,0]=4 1766 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [1,1,0,0,0,0|2,0,0]=4 1767 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [1,1,0,0,0,0|2,0,0]=4 1768 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,1,0,0,0,0|0,0,0]=2 1769 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,1,0,0,0,0|0,0,0]=2 1770 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,1,0,0,0,0|1,0,0]=3 1771 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,1,0,0,0,0|1,0,0]=3 1772 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,1,0,0,0,0|1,0,0]=3 1773 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,1,0,0,0,0|1,0,0]=3 1774 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,1,0,0,0,0|1,0,1]=4 1775 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,1,0,0,0,0|1,0,1]=4 1776 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,1,0,0,0,0|1,0,0]=3 1777 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,1,0,0,0,0|1,0,0]=3 1778 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,1,0,0,0,0|2,0,0]=4 1779 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,1,0,0,0,0|2,0,0]=4 1780 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,1,0,0,0,0|2,0,0]=4 1781 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [1,1,0,0,0,0|2,0,0]=4 1782 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [1,1,0,0,0,0|2,0,0]=4 1783 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [1,1,0,0,0,0|2,0,0]=4 1784 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [1,1,0,0,0,0|1,1,0]=4 1785 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,1,0,0,0,0|1,1,0]=4 1786 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,1,0,0,0,0|2,0,0]=4 1787 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,1,0,0,0,0|2,0,0]=4 1788 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,1,0,0,0,0|1,0,0]=3 1789 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,1,0,0,0,0|1,0,0]=3 1790 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,1,0,0,0,0|2,0,0]=4 1791 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,1,0,0,0,0|1,0,0]=3 1792 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,1,0,0,0,0|2,0,0]=4 1793 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [1,1,0,0,0,0|1,1,0]=4 1794 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,1,0,0,0,0|1,1,0]=4 1795 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,1,0,0,0,0|2,0,0]=4 1796 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,1,0,0,0,0|2,0,0]=4 1797 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,1,0,0,0,0|1,0,0]=3 1798 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,1,0,0,0,0|1,0,0]=3 1799 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,1,0,0,0,0|1,0,0]=3 1800 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,1,0,0,0,0|2,0,0]=4 1801 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,1,0,0,0,0|2,0,0]=4 1802 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,1,0,0,0,0|1,0,0]=3 1803 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [1,1,0,0,0,0|2,0,0]=4 1804 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [1,1,0,0,0,0|2,0,0]=4 1805 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [1,1,0,0,0,0|1,1,0]=4 1806 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [1,1,0,0,0,0|1,1,0]=4 1807 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,1,0,0,0,0|2,0,0]=4 1808 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,1,0,0,0,0|2,0,0]=4 1809 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,1,0,0,0,0|2,0,0]=4 1810 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,1,0,0,0,0|2,0,0]=4 1811 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,1,0,0,0,0|1,1,0]=4 1812 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,1,0,0,0,0|1,1,0]=4 1813 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,1,0,0,0,0|1,0,0]=3 1814 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [1,1,0,0,0,0|2,0,0]=4 1815 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [1,1,0,0,0,0|2,0,0]=4 1816 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [1,1,0,0,0,0|1,1,0]=4 1817 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [1,1,0,0,0,0|1,1,0]=4 1818 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,1,0,0,0,0|0,0,1]=3 1819 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,1,0,0,0,0|0,0,1]=3 1820 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,1,0,0,0,0|0,0,1]=3 1821 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,1,0,0,0,0|0,0,2]=4 1822 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,1,0,0,0,0|0,0,2]=4 1823 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,1,0,0,0,0|0,0,2]=4 1824 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,1,0,0,0,0|0,0,2]=4 1825 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|0,0,1]=3 1826 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,1,0,0,0,0|1,0,1]=4 1827 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,1,0,0,0,0|1,0,1]=4 1828 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,1,0,0,0,0|1,0,0]=3 1829 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,1,0,0,0,0|1,0,0]=3 1830 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,1,0,0,0,0|1,0,0]=3 1831 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|1,0,0]=3 1832 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|1,0,0]=3 1833 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|1,0,0]=3 1834 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,1,0,0,0,0|1,0,0]=3 1835 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,1,0,0,0,0|1,0,0]=3 1836 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,1,0,0,0,0|1,0,0]=3 1837 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,1,0,0,0,0|1,0,0]=3 1838 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|1,0,0]=3 1839 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|1,0,0]=3 1840 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|1,0,0]=3 1841 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [1,1,0,0,0,0|2,0,0]=4 1842 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|1,0,0]=3 1843 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|1,0,0]=3 1844 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [1,1,0,0,0,0|2,0,0]=4 1845 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [1,1,0,0,0,0|2,0,0]=4 1846 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,1,0,0,0,0|1,0,1]=4 1847 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,1,0,0,0,0|1,0,1]=4 1848 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,1,0,0,0,0|1,0,1]=4 1849 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,1,0,0,0,0|1,0,1]=4 1850 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,1,0,0,0,0|1,0,1]=4 1851 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,1,0,0,0,0|0,0,1]=3 1852 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,1,0,0,0,0|0,0,1]=3 1853 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,1,0,0,0,0|0,0,1]=3 1854 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,1,0,0,0,0|0,0,2]=4 1855 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,1,0,0,0,0|0,0,2]=4 1856 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,1,0,0,0,0|0,0,2]=4 1857 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,1,0,0,0,0|0,0,1]=3 1858 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,1,0,0,0,0|1,0,1]=4 1859 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,1,0,0,0,0|1,0,1]=4 1860 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,1,0,0,0,0|1,0,1]=4 1861 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,1,0,0,0,0|1,0,1]=4 1862 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,1,0,0,0,0|0,0,2]=4 1863 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,1,0,0,0,0|0,0,1]=3 1864 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,1,0,0,0,0|0,0,1]=3 1865 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|0,0,0]=2 1866 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|0,0,0]=2 1867 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|0,0,0]=2 1868 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|0,0,0]=2 1869 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|0,0,0]=2 1870 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|0,0,0]=2 1871 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|1,0,0]=3 1872 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,1,0,0,0,0|1,0,1]=4 1873 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,1,0,0,0,0|1,0,1]=4 1874 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|1,0,0]=3 1875 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|1,0,0]=3 1876 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|1,0,0]=3 1877 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|1,0,0]=3 1878 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|1,0,0]=3 1879 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|1,0,0]=3 1880 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|1,0,0]=3 1881 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|1,0,0]=3 1882 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,1,0,0,0,0|1,0,1]=4 1883 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,1,0,0,0,0|1,0,1]=4 1884 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,1,0,0,0,0|1,0,1]=4 1885 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,1,0,0,0,0|1,0,1]=4 1886 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,1,0,0,0,0|1,0,1]=4 1887 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,1,0,0,0,0|0,0,2]=4 1888 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,1,0,0,0,0|0,0,2]=4 1889 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,1,0,0,0,0|0,0,2]=4 1890 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|0,0,1]=3 1891 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|0,0,1]=3 1892 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|0,0,1]=3 1893 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,1,0,0,0,0|1,0,1]=4 1894 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|0,0,1]=3 1895 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|0,0,1]=3 1896 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|0,0,1]=3 1897 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|0,0,1]=3 1898 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|0,0,0]=2 1899 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|0,0,0]=2 1900 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|0,0,0]=2 1901 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,1,0,0,0,0|2,0,0]=4 1902 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,1,0,0,0,0|2,0,0]=4 1903 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,1,0,0,0,0|2,0,0]=4 1904 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,1,0,0,0,0|2,0,0]=4 1905 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,1,0,0,0,0|2,0,0]=4 1906 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,1,0,0,0,0|2,0,0]=4 1907 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|0,0,0]=2 1908 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|0,0,0]=2 1909 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|0,0,0]=2 1910 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|0,0,0]=2 1911 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,1,0,0,0,0|1,0,1]=4 1912 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,1,0,0,0,0|1,0,1]=4 1913 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,1,0,0,0,0|1,0,1]=4 1914 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,1,0,0,0,0|1,0,1]=4 1915 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,1,0,0,0,0|1,0,1]=4 1916 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,1,0,0,0,0|1,0,1]=4 1917 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|1,0,0]=3 1918 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|1,0,0]=3 1919 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|0,1,0]=3 1920 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,1,0,0,0,0|1,0,1]=4 1921 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,1,0,0,0,0|1,0,1]=4 1922 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,1,0,0,0,0|1,0,1]=4 1923 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,1,0,0,0,0|1,0,1]=4 1924 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,1,0,0,0,0|0,0,2]=4 1925 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,1,0,0,0,0|0,0,2]=4 1926 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,1,0,0,0,0|0,0,2]=4 1927 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,1,0,0,0,0|0,0,2]=4 1928 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|1,0,0]=3 1929 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|0,0,0]=2 1930 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|0,0,0]=2 1931 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,1,0,0,0,0|1,0,0]=3 1932 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|0,0,0]=2 1933 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,1,0,0,0,0|0,1,0]=3 1934 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,1,0,0,0,0|1,0,1]=4 1935 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,1,0,0,0,0|1,0,1]=4 1936 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,1,0,0,0,0|1,0,1]=4 1937 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,1,0,0,0,0|1,0,1]=4 1938 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,1,0,0,0,0|0,0,2]=4 1939 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,1,0,0,0,0|2,0,0]=4 1940 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,1,0,0,0,0|1,0,1]=4 1941 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,1,0,0,0,0|1,0,1]=4 1942 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,1,0,0,0,0|0,0,2]=4 1943 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,1,0,0,0,0|1,1,0]=4 1944 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|0,0,0]=2 1945 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,1,0,0,0,0|1,0,0]=3 1946 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,1,0,0,0,0|1,0,0]=3 1947 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|0,0,0]=2 1948 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,1,0,0,0,0|0,1,0]=3 1949 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,1,0,0,0,0|0,1,0]=3 1950 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,1,0,0,0,0|1,0,1]=4 1951 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,1,0,0,0,0|1,0,1]=4 1952 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,1,0,0,0,0|0,0,2]=4 1953 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,1,0,0,0,0|0,0,2]=4 1954 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,1,0,0,0,0|0,0,2]=4 1955 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,1,0,0,0,0|0,0,2]=4 1956 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,1,0,0,0,0|1,1,0]=4 1957 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [1,1,0,0,0,0|2,0,0]=4 1958 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [1,1,0,0,0,0|2,0,0]=4 1959 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,1,0,0,0,0|2,0,0]=4 1960 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,1,0,0,0,0|2,0,0]=4 1961 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,1,0,0,0,0|2,0,0]=4 1962 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,1,0,0,0,0|2,0,0]=4 1963 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,1,0,0,0,0|2,0,0]=4 1964 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,1,0,0,0,0|2,0,0]=4 1965 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,1,0,0,0,0|2,0,0]=4 1966 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,1,0,0,0,0|1,0,1]=4 1967 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,1,0,0,0,0|1,0,1]=4 1968 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,1,0,0,0,0|1,0,1]=4 1969 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,1,0,0,0,0|1,0,1]=4 1970 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|0,0,0]=2 1971 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,1,0,0,0,0|1,0,0]=3 1972 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,1,0,0,0,0|1,0,0]=3 1973 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,1,0,0,0,0|1,0,0]=3 1974 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,1,0,0,0,0|1,0,1]=4 1975 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,1,0,0,0,0|1,0,1]=4 1976 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,1,0,0,0,0|1,0,1]=4 1977 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,1,0,0,0,0|1,0,1]=4 1978 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,1,0,0,0,0|0,0,2]=4 1979 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,1,0,0,0,0|0,0,2]=4 1980 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,1,0,0,0,0|0,0,2]=4 1981 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,1,0,0,0,0|0,0,2]=4 1982 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,1,0,0,0,0|2,0,0]=4 1983 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|1,0,0]=3 1984 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,1,0,0,0,0|1,1,0]=4 1985 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|0,0,2]=4 1986 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|0,0,2]=4 1987 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,1,0,0,0,0|1,0,1]=4 1988 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,1,0,0,0,0|1,0,1]=4 1989 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|0,0,0]=2 1990 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|0,0,0]=2 1991 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|0,0,0]=2 1992 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|0,0,0]=2 1993 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1994 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,1,0,0,0,0|1,0,0]=3 1995 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1996 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|0,0,0]=2 1997 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,1,0,0,0,0|1,0,1]=4 1998 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,1,0,0,0,0|1,0,1]=4 1999 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,1,0,0,0,0|1,0,1]=4 2000 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,1,0,0,0,0|1,0,1]=4 2001 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,1,0,0,0,0|0,0,2]=4 2002 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,1,0,0,0,0|2,0,0]=4 2003 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,1,0,0,0,0|2,0,0]=4 2004 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,1,0,0,0,0|2,0,0]=4 2005 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,1,0,0,0,0|2,0,0]=4 2006 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,1,0,0,0,0|2,0,0]=4 2007 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,1,0,0,0,0|2,0,0]=4 2008 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,1,0,0,0,0|1,0,1]=4 2009 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|1,0,0]=3 2010 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,1,0,0,0,0|1,0,1]=4 2011 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,1,0,0,0,0|1,0,1]=4 2012 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|0,0,0]=2 2013 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|0,0,0]=2 2014 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|0,0,0]=2 2015 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|0,0,0]=2 2016 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,1,0,0,0,0|1,0,0]=3 2017 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,1,0,0,0,0|1,0,0]=3 2018 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|0,0,0]=2 2019 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,1,0,0,0,0|1,0,1]=4 2020 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,1,0,0,0,0|1,0,1]=4 2021 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,1,0,0,0,0|0,0,2]=4 2022 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,1,0,0,0,0|0,0,2]=4 2023 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,1,0,0,0,0|2,0,0]=4 2024 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,1,0,0,0,0|2,0,0]=4 2025 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,1,0,0,0,0|2,0,0]=4 2026 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,1,0,0,0,0|2,0,0]=4 2027 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,1,0,0,0,0|2,0,0]=4 2028 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,1,0,0,0,0|2,0,0]=4 2029 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,1,0,0,0,0|2,0,0]=4 2030 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|1,0,0]=3 2031 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|1,0,0]=3 2032 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|1,0,1]=4 2033 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,1,0,0,0,0|2,0,0]=4 2034 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,1,0,0,0,0|2,0,0]=4 2035 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,1,0,0,0,0|1,1,0]=4 2036 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,1,0,0,0,0|1,1,0]=4 2037 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,1,0,0,0,0|1,1,0]=4 2038 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,1,0,0,0,0|0,0,2]=4 2039 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,1,0,0,0,0|0,0,1]=3 2040 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,1,0,0,0,0|1,1,0]=4 2041 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,1,0,0,0,0|1,0,0]=3 2042 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,1,0,0,0,0|1,0,0]=3 2043 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,1,0,0,0,0|1,0,0]=3 2044 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,1,0,0,0,0|1,0,0]=3 2045 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [1,1,0,0,0,0|2,0,0]=4 2046 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [1,1,0,0,0,0|0,0,2]=4 2047 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [1,1,0,0,0,0|0,0,2]=4 2048 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [1,1,0,0,0,0|0,0,2]=4 2049 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [1,1,0,0,0,0|0,0,2]=4 2050 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,1,0,0,0,0|1,0,0]=3 2051 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,1,0,0,0,0|1,0,0]=3 2052 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,1,0,0,0,0|1,0,0]=3 2053 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,1,0,0,0,0|1,0,0]=3 2054 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [1,1,0,0,0,0|2,0,0]=4 2055 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,1,0,0,0,0|1,0,0]=3 2056 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,1,0,0,0,0|1,0,0]=3 2057 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [1,1,0,0,0,0|2,0,0]=4 2058 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [1,1,0,0,0,0|2,0,0]=4 2059 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,1,0,0,0,0|0,0,2]=4 2060 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,1,0,0,0,0|0,0,2]=4 2061 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,1,0,0,0,0|0,0,2]=4 2062 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,1,0,0,0,0|0,0,2]=4 2063 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [1,1,0,0,0,0|1,0,1]=4 2064 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [1,1,0,0,0,0|1,0,1]=4 2065 B6R0.6 CC#CCNCC 2230a_100000685387_100000210202 [1,1,0,0,0,0|1,0,1]=4 2066 B6R0.6 CC#CCNCC 2230a_100015525214_100000748600 [1,1,0,0,0,0|1,0,1]=4 2067 B6R0.6 CC#CCNCC 34a_100000685387_100000210202 [1,1,0,0,0,0|1,0,1]=4 2068 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [1,1,0,0,0,0|1,0,1]=4 2069 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [1,1,0,0,0,0|1,0,1]=4 2070 B6R0.6 CC#CCSCC 62a_100000210202_100000748600 [1,1,0,0,0,0|1,0,1]=4 2071 B6R0.6 CC#CCSCC 62a_100000748600_100000210202 [1,1,0,0,0,0|1,0,1]=4 2072 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,1,0,0,0,0|1,0,1]=4 2073 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,1,0,0,0,0|1,0,1]=4 2074 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,1,0,0,0,0|1,0,1]=4 2075 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,1,0,0,0,0|0,1,1]=4 2076 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,1,0,0,0,0|0,1,1]=4 2077 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,1,0,0,0,0|0,1,1]=4 2078 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,1,0,0,0,0|0,0,1]=3 2079 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,1,0,0,0,0|0,0,1]=3 2080 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,1,0,0,0,0|0,0,1]=3 2081 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,1,0,0,0,0|0,0,1]=3 2082 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,1,0,0,0,0|1,0,0]=3 2083 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,1,0,0,0,0|1,0,0]=3 2084 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,1,0,0,0,0|1,0,0]=3 2085 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,1,0,0,0,0|1,0,0]=3 2086 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [1,1,0,0,0,0|2,0,0]=4 2087 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [1,1,0,0,0,0|2,0,0]=4 2088 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,1,0,0,0,0|2,0,0]=4 2089 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [1,1,0,0,0,0|0,0,2]=4 2090 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [1,1,0,0,0,0|0,0,2]=4 2091 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [1,1,0,0,0,0|0,0,2]=4 2092 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [1,1,0,0,0,0|0,0,2]=4 2093 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,1,0,0,0,0|2,0,0]=4 2094 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,1,0,0,0,0|1,0,1]=4 2095 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,1,0,0,0,0|1,0,1]=4 2096 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,1,0,0,0,0|1,0,1]=4 2097 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,1,0,0,0,0|1,0,1]=4 2098 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,1,0,0,0,0|1,0,1]=4 2099 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,1,0,0,0,0|0,1,1]=4 2100 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,1,0,0,0,0|0,1,1]=4 2101 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,1,0,0,0,0|0,1,1]=4 2102 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,1,0,0,0,0|0,1,1]=4 2103 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,1,0,0,0,0|0,1,1]=4 2104 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,1,0,0,0,0|0,0,1]=3 2105 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,1,0,0,0,0|0,0,1]=3 2106 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,1,0,0,0,0|0,0,1]=3 2107 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,1,0,0,0,0|0,0,1]=3 2108 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,1,0,0,0,0|1,0,1]=4 2109 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,1,0,0,0,0|1,0,1]=4 2110 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,1,0,0,0,0|1,0,1]=4 2111 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,1,0,0,0,0|1,0,1]=4 2112 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,1,0,0,0,0|0,1,1]=4 2113 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,1,0,0,0,0|0,1,1]=4 2114 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,1,0,0,0,0|0,1,1]=4 2115 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,1,0,0,0,0|0,1,1]=4 2116 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,1,0,0,0,0|0,1,1]=4 2117 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,1,0,0,0,0|0,0,1]=3 2118 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,1,0,0,0,0|0,0,1]=3 2119 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,1,0,0,0,0|0,0,1]=3 2120 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,1,0,0,0,0|0,0,1]=3 2121 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,1,0,0,0,0|2,0,0]=4 2122 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,1,0,0,0,0|2,0,0]=4 2123 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,1,0,0,0,0|2,0,0]=4 2124 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,1,0,0,0,0|2,0,0]=4 2125 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,1,0,0,0,0|1,0,1]=4 2126 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,1,0,0,0,0|2,0,0]=4 2127 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,1,0,0,0,0|2,0,0]=4 2128 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,1,0,0,0,0|2,0,0]=4 2129 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,1,0,0,0,0|0,0,1]=3 2130 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,1,0,0,0,0|1,0,1]=4 2131 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,1,0,0,0,0|2,0,0]=4 2132 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,1,0,0,0,0|2,0,0]=4 2133 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,1,0,0,0,0|2,0,0]=4 2134 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,1,0,0,0,0|2,0,0]=4 2135 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,1,0,0,0,0|0,1,1]=4 2136 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,1,0,0,0,0|0,1,1]=4 2137 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,1,0,0,0,0|0,0,1]=3 2138 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,1,0,0,0,0|0,0,1]=3 2139 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,1,0,0,0,0|2,0,0]=4 2140 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,1,0,0,0,0|2,0,0]=4 2141 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,1,0,0,0,0|2,0,0]=4 2142 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,1,0,0,0,0|2,0,0]=4 2143 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,1,0,0,0,0|0,1,1]=4 2144 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,1,0,0,0,0|0,1,1]=4 2145 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,1,0,0,0,0|0,0,1]=3 2146 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,1,0,0,0,0|0,0,1]=3 2147 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,1,0,0,0,0|2,0,0]=4 2148 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,1,0,0,0,0|2,0,0]=4 2149 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,1,0,0,0,0|2,0,0]=4 2150 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,1,0,0,0,0|2,0,0]=4 2151 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,1,0,0,0,0|2,0,0]=4 2152 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,1,0,0,0,0|2,0,0]=4 2153 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,1,0,0,0,0|1,0,1]=4 2154 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,1,0,0,0,0|1,0,1]=4 2155 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,1,0,0,0,0|1,0,1]=4 2156 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,1,0,0,0,0|1,0,1]=4 2157 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,1,0,0,0,0|1,0,1]=4 2158 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,1,0,0,0,0|1,0,1]=4 2159 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,1,0,0,0,0|1,0,1]=4 2160 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,1,0,0,0,0|0,1,1]=4 2161 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,1,0,0,0,0|0,1,1]=4 2162 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,1,0,0,0,0|0,1,1]=4 2163 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,1,0,0,0,0|0,1,1]=4 2164 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,1,0,0,0,0|0,1,1]=4 2165 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,1,0,0,0,0|0,1,1]=4 2166 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,1,0,0,0,0|0,1,1]=4 2167 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,1,0,0,0,0|0,0,1]=3 2168 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,1,0,0,0,0|0,0,1]=3 2169 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,1,0,0,0,0|0,0,1]=3 2170 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,1,0,0,0,0|0,0,1]=3 2171 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,1,0,0,0,0|0,0,1]=3 2172 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,1,0,0,0,0|0,0,1]=3 2173 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,1,0,0,0,0|0,0,1]=3 2174 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,1,0,0,0,0|1,0,1]=4 2175 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,1,0,0,0,0|1,0,1]=4 2176 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [1,1,0,0,0,0|1,0,1]=4 2177 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [1,1,0,0,0,0|1,0,1]=4 2178 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,1,0,0,0,0|1,0,1]=4 2179 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,1,0,0,0,0|1,0,1]=4 2180 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,1,0,0,0,0|1,0,1]=4 2181 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,1,0,0,0,0|1,0,1]=4 2182 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,1,0,0,0,0|1,0,1]=4 2183 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,1,0,0,0,0|1,0,1]=4 2184 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,1,0,0,0,0|1,0,1]=4 2185 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,1,0,0,0,0|1,0,1]=4 2186 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,1,0,0,0,0|1,0,1]=4 2187 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,1,0,0,0,0|0,1,1]=4 2188 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,1,0,0,0,0|0,1,1]=4 2189 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,1,0,0,0,0|0,1,1]=4 2190 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,1,0,0,0,0|0,1,1]=4 2191 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,1,0,0,0,0|0,1,1]=4 2192 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,1,0,0,0,0|0,1,1]=4 2193 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,1,0,0,0,0|0,1,1]=4 2194 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,1,0,0,0,0|0,0,1]=3 2195 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,1,0,0,0,0|0,0,1]=3 2196 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,1,0,0,0,0|0,0,1]=3 2197 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,1,0,0,0,0|0,0,1]=3 2198 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,1,0,0,0,0|0,0,1]=3 2199 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,1,0,0,0,0|0,0,1]=3 2200 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [1,1,0,0,0,0|1,0,1]=4 2201 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [1,1,0,0,0,0|1,0,1]=4 2202 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [1,1,0,0,0,0|1,0,1]=4 2203 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,1,0,0,0,0|1,0,1]=4 2204 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,1,0,0,0,0|1,0,1]=4 2205 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,1,0,0,0,0|1,0,1]=4 2206 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,1,0,0,0,0|1,0,1]=4 2207 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,1,0,0,0,0|1,0,1]=4 2208 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [1,1,0,0,0,0|0,1,1]=4 2209 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [1,1,0,0,0,0|0,1,1]=4 2210 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [1,1,0,0,0,0|0,1,1]=4 2211 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [1,1,0,0,0,0|0,1,1]=4 2212 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [1,1,0,0,0,0|0,1,1]=4 2213 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [1,1,0,0,0,0|0,1,1]=4 2214 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,1,0,0,0,0|0,0,1]=3 2215 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,1,0,0,0,0|0,1,1]=4 2216 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,1,0,0,0,0|0,1,1]=4 2217 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,1,0,0,0,0|0,1,1]=4 2218 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,1,0,0,0,0|0,1,1]=4 2219 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,1,0,0,0,0|0,1,1]=4 2220 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,1,0,0,0,0|0,1,1]=4 2221 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,1,0,0,0,0|0,1,1]=4 2222 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,1,0,0,0,0|0,1,1]=4 2223 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,1,0,0,0,0|0,1,1]=4 2224 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [1,1,0,0,0,0|0,1,1]=4 2225 B6R0.6 COCCCOC 34a_100000740835_200000210301 [1,1,0,0,0,0|0,1,1]=4 2226 B6R0.6 COCCCOC 34a_100138415774_100000740836 [1,1,0,0,0,0|0,1,1]=4 2227 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [1,1,0,0,0,0|0,1,1]=4 2228 B6R0.6 COCCCSC 34a_100000690336_200000210301 [1,1,0,0,0,0|0,0,1]=3 2229 B6R0.6 COCCCSC 62a_100000709357_200000210301 [1,1,0,0,0,0|0,0,1]=3 2230 B6R0.6 COCCCSC 62a_200000210301_100000709357 [1,1,0,0,0,0|0,0,1]=3 2231 B6R0.6 COCCCSC 7a_100000690336_200000210301 [1,1,0,0,0,0|0,0,1]=3 2232 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [1,1,0,0,0,0|0,0,1]=3 2233 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [1,1,0,0,0,0|0,0,1]=3 2234 B6R0.6 COCCSCF 62a_100000233755_100015361967 [1,1,0,0,0,0|1,0,1]=4 2235 B6R0.6 COCCSCF 62a_100015361967_100000233755 [1,1,0,0,0,0|1,0,1]=4 2236 B6R0.6 COCSCSC 62a_100000766300_100011218213 [1,1,0,0,0,0|1,0,1]=4 2237 B6R0.6 COCSCSC 62a_100011218213_100000766300 [1,1,0,0,0,0|1,0,1]=4 2238 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [1,1,0,0,0,0|0,0,2]=4 2239 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [1,1,0,0,0,0|0,0,2]=4 2240 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,1,0,0,0,0|0,0,2]=4 2241 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,1,0,0,0,0|0,0,2]=4 2242 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,1,0,0,0,0|0,0,1]=3 2243 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,1,0,0,0,0|0,0,1]=3 2244 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,1,0,0,0,0|0,0,1]=3 2245 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,1,0,0,0,0|0,0,1]=3 2246 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,1,0,0,0,0|0,0,1]=3 2247 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [1,1,0,0,0,0|0,0,1]=3 2248 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [1,1,0,0,0,0|0,0,1]=3 2249 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [1,1,0,0,0,0|1,0,1]=4 2250 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [1,1,0,0,0,0|1,0,1]=4 2251 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [1,1,0,0,0,0|1,0,1]=4 2252 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [1,1,0,0,0,0|1,0,1]=4 2253 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [1,1,0,0,0,0|1,0,1]=4 2254 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,1,0,0,0,0|1,0,1]=4 2255 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,1,0,0,0,0|1,0,1]=4 2256 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [1,1,0,0,0,0|1,0,1]=4 2257 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [1,1,0,0,0,0|1,0,1]=4 2258 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [1,1,0,0,0,0|1,0,1]=4 2259 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [1,1,0,0,0,0|1,0,1]=4 2260 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [1,1,0,0,0,0|1,0,1]=4 2261 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [1,1,0,0,0,0|1,0,1]=4 2262 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [1,1,0,0,0,0|1,0,1]=4 2263 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [1,1,0,0,0,0|1,0,1]=4 2264 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [1,1,0,0,0,0|1,0,1]=4 2265 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [1,1,0,0,0,0|1,0,1]=4 2266 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [1,1,0,0,0,0|1,0,1]=4 2267 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,1,0,0,0,0|1,0,1]=4 2268 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,1,0,0,0,0|1,0,1]=4 2269 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,1,0,0,0,0|0,1,1]=4 2270 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,1,0,0,0,0|0,1,1]=4 2271 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,1,0,0,0,0|0,1,1]=4 2272 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,1,0,0,0,0|0,1,1]=4 2273 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,1,0,0,0,0|0,1,1]=4 2274 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,1,0,0,0,0|0,1,1]=4 2275 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,1,0,0,0,0|0,1,1]=4 2276 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [1,1,0,0,0,0|0,0,2]=4 2277 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [1,1,0,0,0,0|0,0,2]=4 2278 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,1,0,0,0,0|0,0,2]=4 2279 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,1,0,0,0,0|0,0,2]=4 2280 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,1,0,0,0,0|0,0,1]=3 2281 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,1,0,0,0,0|0,0,1]=3 2282 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,1,0,0,0,0|0,0,1]=3 2283 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,1,0,0,0,0|0,0,1]=3 2284 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [1,1,0,0,0,0|1,0,1]=4 2285 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [1,1,0,0,0,0|1,0,1]=4 2286 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [1,1,0,0,0,0|1,0,1]=4 2287 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [1,1,0,0,0,0|1,0,1]=4 2288 B6R0.8 CCS(=O)(=O)NC 270084a_100102657272_100000211323 [1,1,0,0,0,0|2,0,0]=4 2289 B6R0.8 CCS(=O)(=O)NC 274078a_100102657272_100000211323 [1,1,0,0,0,0|2,0,0]=4 2290 B6R0.8 CCS(=O)(=O)NC 40a_100102657272_100000053943 [1,1,0,0,0,0|2,0,0]=4 2291 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [1,1,0,0,0,0|1,0,1]=4 2292 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [1,1,0,0,0,0|1,0,1]=4 2293 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [1,1,0,0,0,0|1,0,1]=4 2294 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [1,1,0,0,0,0|1,0,1]=4 2295 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,2,0,0,0,0|1,0,0]=3 2296 B8R0.2 C=C(C)C(=O)N(C)CC 11a_100000225621_100000185857 [0,2,0,0,0,0|2,0,0]=4 2297 B8R0.2 C=C(C)C(=O)N(C)CC 1626a_100000225621_100000185857 [0,2,0,0,0,0|2,0,0]=4 2298 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_100009893295_200025704644 [0,2,0,0,0,0|2,0,0]=4 2299 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_200025704644_100009893295 [0,2,0,0,0,0|2,0,0]=4 2300 B8R0.2 CC(C)C(=O)C(O)CO 1458a_100011215603_100000210206 [0,2,0,0,0,0|2,0,0]=4 2301 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [0,2,0,0,0,0|2,0,0]=4 2302 B8R0.2 CC(C)[C@@H](O)C(=O)CF 1458a_100000691806_100015361967 [0,2,0,0,0,0|2,0,0]=4 2303 B8R0.2 CC(S[13CH3])C(=O)N(C)C 62a_100000209910_200025704644 [0,2,0,0,0,0|2,0,0]=4 2304 B8R0.2 CC(S[13CH3])C(=O)N(C)C 62a_200025704644_100000209910 [0,2,0,0,0,0|2,0,0]=4 2305 B8R0.2 CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210202 [0,2,0,0,0,0|1,0,1]=4 2306 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,2,0,0,0,0|1,0,1]=4 2307 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,2,0,0,0,0|1,0,1]=4 2308 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,2,0,0,0,0|1,0,0]=3 2309 B8R0.2 CCC(=O)C(C)N(C)C 2230a_100102631434_100000742827 [0,2,0,0,0,0|2,0,0]=4 2310 B8R0.2 CCC(=O)C(C)N(C)C 269982a_100102631434_100000742827 [0,2,0,0,0,0|2,0,0]=4 2311 B8R0.2 CCC(=O)N(C)C(C)C 11a_200000211004_100000210414 [0,2,0,0,0,0|2,0,0]=4 2312 B8R0.2 CCC(=O)N(C)C(C)C 1626a_200000211004_100000210414 [0,2,0,0,0,0|2,0,0]=4 2313 B8R0.2 CCC(=O)N(C)C(C)C 240690a_200000211004_100000210414 [0,2,0,0,0,0|2,0,0]=4 2314 B8R0.2 CCC(=O)N(C)C(C)C 527a_200000211004_100000210414 [0,2,0,0,0,0|2,0,0]=4 2315 B8R0.2 CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210202 [0,2,0,0,0,0|2,0,0]=4 2316 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [0,2,0,0,0,0|1,0,0]=3 2317 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [0,2,0,0,0,0|1,0,0]=3 2318 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [0,2,0,0,0,0|1,0,0]=3 2319 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [0,2,0,0,0,0|1,0,0]=3 2320 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [0,2,0,0,0,0|2,0,0]=4 2321 B8R0.2 CCC(C)C(=O)N(C)C 11a_100102631434_100011192722 [0,2,0,0,0,0|1,0,0]=3 2322 B8R0.2 CCC(C)C(=O)N(C)C 1626a_100102631434_100011192722 [0,2,0,0,0,0|1,0,0]=3 2323 B8R0.2 CCC(C)C(=O)N(C)C 240690a_100102631434_100011192722 [0,2,0,0,0,0|1,0,0]=3 2324 B8R0.2 CCC(C)C(=O)N(C)C 527a_100102631434_100011192722 [0,2,0,0,0,0|1,0,0]=3 2325 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,2,0,0,0,0|1,0,0]=3 2326 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,2,0,0,0,0|1,0,0]=3 2327 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [0,2,0,0,0,0|1,0,0]=3 2328 B8R0.2 CCC(O)C(=O)N(C)C 240690a_100102631434_100011196387 [0,2,0,0,0,0|1,0,0]=3 2329 B8R0.2 CCN(C)C(=O)C(C)C 11a_100000225621_100000210198 [0,2,0,0,0,0|2,0,0]=4 2330 B8R0.2 CCN(C)C(=O)C(C)C 1626a_100000225621_100000210198 [0,2,0,0,0,0|2,0,0]=4 2331 B8R0.2 CCN(C)C(=O)C(C)C 240690a_100000225621_100000210198 [0,2,0,0,0,0|2,0,0]=4 2332 B8R0.2 CCN(C)C(=O)C(C)C 527a_100000225621_100000210198 [0,2,0,0,0,0|2,0,0]=4 2333 B8R0.2 CCN(C)C(=O)C(C)F 11a_100000225621_100000062450 [0,2,0,0,0,0|2,0,0]=4 2334 B8R0.2 CCN(C)C(=O)C(C)F 1626a_100000225621_100000062450 [0,2,0,0,0,0|2,0,0]=4 2335 B8R0.2 CCN(C)C(=O)C(C)F 240690a_100000225621_100000062450 [0,2,0,0,0,0|2,0,0]=4 2336 B8R0.2 CCN(C)C(=O)C(C)F 527a_100000225621_100000062450 [0,2,0,0,0,0|2,0,0]=4 2337 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [0,2,0,0,0,0|2,0,0]=4 2338 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [0,2,0,0,0,0|2,0,0]=4 2339 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [0,2,0,0,0,0|2,0,0]=4 2340 B8R0.2 CN(C)C(=O)C(O)CO 240690a_100102631434_100011215603 [0,2,0,0,0,0|2,0,0]=4 2341 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [0,2,0,0,0,0|1,0,1]=4 2342 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,2,0,0,0,0|1,0,1]=4 2343 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [0,2,0,0,0,0|1,0,0]=3 2344 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [0,2,0,0,0,0|1,0,0]=3 2345 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [0,2,0,0,0,0|1,0,0]=3 2346 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [0,2,0,0,0,0|1,0,0]=3 2347 B8R0.2 CNC(=O)C(C)N(C)C 2230a_100102631434_100000731044 [0,2,0,0,0,0|2,0,0]=4 2348 B8R0.2 CNC(=O)C(C)N(C)C 269982a_100102631434_100000209862 [0,2,0,0,0,0|2,0,0]=4 2349 B8R0.2 CNC(=O)C(F)C(=O)C 1458a_100000070787_100009813575 [0,2,0,0,0,0|1,0,1]=4 2350 B8R0.2 CNC(=O)C(F)N(C)C 2230a_100102631434_100009813575 [0,2,0,0,0,0|2,0,0]=4 2351 B8R0.2 CNC(=O)C(F)N(C)C 269982a_100102631434_100009813575 [0,2,0,0,0,0|2,0,0]=4 2352 B8R0.2 CNC(=O)N(C)C(C)C 2708a_100102657272_200000211004 [0,2,0,0,0,0|2,0,0]=4 2353 B8R0.2 CNC(=O)N(C)C(C)C 273464a_100102657272_200000211004 [0,2,0,0,0,0|2,0,0]=4 2354 B8R0.2 CNC(=O)[C@H](C)N(C)C 240690a_100102657272_100009822176 [0,2,0,0,0,0|2,0,0]=4 2355 B8R0.2 CNC(=O)[C@H](C)N(C)C 527a_100102657272_100009822176 [0,2,0,0,0,0|2,0,0]=4 2356 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [0,2,0,0,0,0|1,0,0]=3 2357 B8R0.2 CNC(C)C(=O)C(C)C 2230a_106832991635_100009893295 [0,2,0,0,0,0|2,0,0]=4 2358 B8R0.2 CNC(C)C(=O)C(C)C 7a_106832991635_100009893295 [0,2,0,0,0,0|2,0,0]=4 2359 B8R0.2 CNC(C)C(=O)N(C)C 2230a_106832991635_100000209910 [0,2,0,0,0,0|2,0,0]=4 2360 B8R0.2 CNC(C)C(=O)N(C)C 7a_106832991635_100000209910 [0,2,0,0,0,0|2,0,0]=4 2361 B8R0.2 CN[C@@H](C)C(=O)N(C)C 2230a_100000697320_200000210301 [0,2,0,0,0,0|2,0,0]=4 2362 B8R0.2 CN[C@@H](C)C(=O)N(C)C 34a_100000697320_200000210301 [0,2,0,0,0,0|2,0,0]=4 2363 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,2,0,0,0,0|0,1,1]=4 2364 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,2,0,0,0,0|0,1,1]=4 2365 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,2,0,0,0,0|0,1,1]=4 2366 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [0,2,0,0,0,0|1,1,0]=4 2367 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [0,2,0,0,0,0|1,1,0]=4 2368 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [0,2,0,0,0,0|1,1,0]=4 2369 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [0,2,0,0,0,0|1,1,0]=4 2370 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [0,2,0,0,0,0|1,1,0]=4 2371 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [0,2,0,0,0,0|1,1,0]=4 2372 B8R0.2 COC(C)C(=O)C(C)C 1458a_100000743197_100000210206 [0,2,0,0,0,0|2,0,0]=4 2373 B8R0.2 COC(C)C(=O)N(C)C 11a_100102631434_100000743197 [0,2,0,0,0,0|2,0,0]=4 2374 B8R0.2 COC(C)C(=O)N(C)C 1626a_100102631434_100000743197 [0,2,0,0,0,0|2,0,0]=4 2375 B8R0.2 COC(C)C(=O)N(C)C 240690a_100102631434_100000743197 [0,2,0,0,0,0|2,0,0]=4 2376 B8R0.2 COC(C)C(=O)N(C)C 527a_100102631434_100000743197 [0,2,0,0,0,0|2,0,0]=4 2377 B8R0.2 CSC(C)C(=O)C(C)C 1458a_100000149566_100000210206 [0,2,0,0,0,0|2,0,0]=4 2378 B8R0.2 CSC(C)C(=O)C(C)C 62a_100009893295_200000210301 [0,2,0,0,0,0|2,0,0]=4 2379 B8R0.2 CSC(C)C(=O)C(C)C 62a_200000210301_100009893295 [0,2,0,0,0,0|2,0,0]=4 2380 B8R0.2 CSC(C)C(=O)N(C)C 11a_100102631434_100000149566 [0,2,0,0,0,0|2,0,0]=4 2381 B8R0.2 CSC(C)C(=O)N(C)C 1626a_100102631434_100000149566 [0,2,0,0,0,0|2,0,0]=4 2382 B8R0.2 CSC(C)C(=O)N(C)C 240690a_100102631434_100000149566 [0,2,0,0,0,0|2,0,0]=4 2383 B8R0.2 CSC(C)C(=O)N(C)C 527a_100102631434_100000149566 [0,2,0,0,0,0|2,0,0]=4 2384 B8R0.2 CSC(C)C(=O)N(C)C 62a_100000209910_200000210301 [0,2,0,0,0,0|2,0,0]=4 2385 B8R0.2 CSC(C)C(=O)N(C)C 62a_200000210301_100000209910 [0,2,0,0,0,0|2,0,0]=4 2386 B8R0.2 C[C@H](N[13CH3])C(=O)N(C)C 2230a_100000697320_200025704644 [0,2,0,0,0,0|2,0,0]=4 2387 B8R0.2 C[C@H](N[13CH3])C(=O)N(C)C 34a_100000697320_200025704644 [0,2,0,0,0,0|2,0,0]=4 2388 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [0,2,0,0,0,0|1,0,1]=4 2389 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [0,2,0,0,0,0|1,0,1]=4 2390 B8R0.5 C#CCC(=O)CC(C)O 1458a_100011220946_100011218427 [0,2,0,0,0,0|1,0,1]=4 2391 B8R0.5 C#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000184674 [0,2,0,0,0,0|1,0,1]=4 2392 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [0,2,0,0,0,0|1,0,1]=4 2393 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,2,0,0,0,0|1,0,1]=4 2394 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,2,0,0,0,0|1,0,0]=3 2395 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,2,0,0,0,0|1,0,1]=4 2396 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,2,0,0,0,0|0,1,1]=4 2397 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,2,0,0,0,0|0,0,1]=3 2398 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,2,0,0,0,0|2,0,0]=4 2399 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,2,0,0,0,0|2,0,0]=4 2400 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,2,0,0,0,0|1,0,1]=4 2401 B8R0.5 C=C(F)CC(=O)CSC 1458a_100000184570_100009893438 [0,2,0,0,0,0|0,0,2]=4 2402 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,2,0,0,0,0|1,0,1]=4 2403 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,2,0,0,0,0|1,0,1]=4 2404 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [0,2,0,0,0,0|1,0,1]=4 2405 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [0,2,0,0,0,0|1,0,1]=4 2406 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,2,0,0,0,0|1,0,0]=3 2407 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [0,2,0,0,0,0|1,0,0]=3 2408 B8R0.5 CC#CC(=O)CC(F)F 1458a_100000763181_100011934356 [0,2,0,0,0,0|2,0,0]=4 2409 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,2,0,0,0,0|2,0,0]=4 2410 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,2,0,0,0,0|2,0,0]=4 2411 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [0,2,0,0,0,0|2,0,0]=4 2412 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,2,0,0,0,0|2,0,0]=4 2413 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,2,0,0,0,0|2,0,0]=4 2414 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [0,2,0,0,0,0|2,0,0]=4 2415 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,2,0,0,0,0|1,0,1]=4 2416 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,2,0,0,0,0|1,0,1]=4 2417 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [0,2,0,0,0,0|1,0,1]=4 2418 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [0,2,0,0,0,0|1,0,1]=4 2419 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [0,2,0,0,0,0|1,0,1]=4 2420 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [0,2,0,0,0,0|1,0,1]=4 2421 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [0,2,0,0,0,0|1,0,1]=4 2422 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,2,0,0,0,0|1,0,0]=3 2423 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,2,0,0,0,0|1,0,0]=3 2424 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,2,0,0,0,0|1,0,0]=3 2425 B8R0.5 CC(C)CC(C)SCF 62a_100000731052_100015361967 [0,2,0,0,0,0|1,0,1]=4 2426 B8R0.5 CC(C)CC(C)SCF 62a_100015361967_100000731052 [0,2,0,0,0,0|1,0,1]=4 2427 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,2,0,0,0,0|2,0,0]=4 2428 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,2,0,0,0,0|2,0,0]=4 2429 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,2,0,0,0,0|1,0,0]=3 2430 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,2,0,0,0,0|1,0,0]=3 2431 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,2,0,0,0,0|1,0,0]=3 2432 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,2,0,0,0,0|1,0,0]=3 2433 B8R0.5 CC(O)CC(=O)C=CBr 1458a_100016273825_100011218427 [0,2,0,0,0,0|1,0,1]=4 2434 B8R0.5 CC(O)CC(=O)C=CCl 1458a_200016279998_100011218427 [0,2,0,0,0,0|1,0,1]=4 2435 B8R0.5 CC(O)CC(=O)C=CI 1458a_100016256311_100011218427 [0,2,0,0,0,0|1,0,1]=4 2436 B8R0.5 CC(O)CC(=O)CC#N 1458a_100051588842_100011218427 [0,2,0,0,0,0|1,0,1]=4 2437 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,2,0,0,0,0|1,0,0]=3 2438 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,2,0,0,0,0|1,0,0]=3 2439 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,2,0,0,0,0|1,0,0]=3 2440 B8R0.5 CC=CC(=O)CC(F)F 1458a_100000210699_100011934356 [0,2,0,0,0,0|2,0,0]=4 2441 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,2,0,0,0,0|2,0,0]=4 2442 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,2,0,0,0,0|2,0,0]=4 2443 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,2,0,0,0,0|2,0,0]=4 2444 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,2,0,0,0,0|2,0,0]=4 2445 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,2,0,0,0,0|2,0,0]=4 2446 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,2,0,0,0,0|1,0,0]=3 2447 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,2,0,0,0,0|1,0,0]=3 2448 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,2,0,0,0,0|1,0,0]=3 2449 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [0,2,0,0,0,0|1,0,1]=4 2450 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,2,0,0,0,0|1,0,0]=3 2451 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,2,0,0,0,0|1,0,1]=4 2452 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,2,0,0,0,0|1,0,1]=4 2453 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,2,0,0,0,0|1,0,1]=4 2454 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,2,0,0,0,0|1,0,0]=3 2455 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,2,0,0,0,0|1,0,0]=3 2456 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,2,0,0,0,0|1,0,0]=3 2457 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,2,0,0,0,0|1,0,0]=3 2458 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,2,0,0,0,0|1,0,0]=3 2459 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,2,0,0,0,0|1,0,0]=3 2460 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,2,0,0,0,0|1,0,0]=3 2461 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,2,0,0,0,0|1,0,0]=3 2462 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,2,0,0,0,0|2,0,0]=4 2463 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,2,0,0,0,0|0,0,1]=3 2464 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,2,0,0,0,0|1,0,0]=3 2465 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,2,0,0,0,0|1,0,0]=3 2466 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,2,0,0,0,0|1,0,0]=3 2467 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,2,0,0,0,0|1,0,0]=3 2468 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [0,2,0,0,0,0|1,0,1]=4 2469 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [0,2,0,0,0,0|1,0,1]=4 2470 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,2,0,0,0,0|2,0,0]=4 2471 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,2,0,0,0,0|2,0,0]=4 2472 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,2,0,0,0,0|2,0,0]=4 2473 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,2,0,0,0,0|2,0,0]=4 2474 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,2,0,0,0,0|2,0,0]=4 2475 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,2,0,0,0,0|2,0,0]=4 2476 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,2,0,0,0,0|2,0,0]=4 2477 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,2,0,0,0,0|1,0,1]=4 2478 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,2,0,0,0,0|1,0,0]=3 2479 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,2,0,0,0,0|1,0,0]=3 2480 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,2,0,0,0,0|1,0,0]=3 2481 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,2,0,0,0,0|2,0,0]=4 2482 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,2,0,0,0,0|2,0,0]=4 2483 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,2,0,0,0,0|2,0,0]=4 2484 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,2,0,0,0,0|2,0,0]=4 2485 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,2,0,0,0,0|2,0,0]=4 2486 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,2,0,0,0,0|2,0,0]=4 2487 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,2,0,0,0,0|2,0,0]=4 2488 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,2,0,0,0,0|2,0,0]=4 2489 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,2,0,0,0,0|2,0,0]=4 2490 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,2,0,0,0,0|1,0,0]=3 2491 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,2,0,0,0,0|1,0,1]=4 2492 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,2,0,0,0,0|1,0,1]=4 2493 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,2,0,0,0,0|1,0,1]=4 2494 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,2,0,0,0,0|2,0,0]=4 2495 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,2,0,0,0,0|2,0,0]=4 2496 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,2,0,0,0,0|2,0,0]=4 2497 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,2,0,0,0,0|2,0,0]=4 2498 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,2,0,0,0,0|2,0,0]=4 2499 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,2,0,0,0,0|0,1,1]=4 2500 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,2,0,0,0,0|0,1,1]=4 2501 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,2,0,0,0,0|0,1,1]=4 2502 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,2,0,0,0,0|1,1,0]=4 2503 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,2,0,0,0,0|1,1,0]=4 2504 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,2,0,0,0,0|1,1,0]=4 2505 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,2,0,0,0,0|1,1,0]=4 2506 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,2,0,0,0,0|1,0,1]=4 2507 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,2,0,0,0,0|1,0,1]=4 2508 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [0,2,0,0,0,0|2,0,0]=4 2509 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,2,0,0,0,0|2,0,0]=4 2510 B8R0.5 CN(C)CC(=O)NCO 2230a_100102631434_100000185155 [0,2,0,0,0,0|2,0,0]=4 2511 B8R0.5 CN(C)CC(=O)NCO 269982a_100102631434_100000185155 [0,2,0,0,0,0|2,0,0]=4 2512 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,2,0,0,0,0|2,0,0]=4 2513 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,2,0,0,0,0|2,0,0]=4 2514 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,2,0,0,0,0|2,0,0]=4 2515 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,2,0,0,0,0|2,0,0]=4 2516 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,2,0,0,0,0|2,0,0]=4 2517 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,2,0,0,0,0|1,1,0]=4 2518 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,2,0,0,0,0|1,1,0]=4 2519 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,2,0,0,0,0|1,1,0]=4 2520 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,2,0,0,0,0|1,0,0]=3 2521 B8R0.5 CNNC(=O)CN(C)C 22a_100016993582_100000750896 [0,2,0,0,0,0|2,0,0]=4 2522 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [0,2,0,0,0,0|1,0,0]=3 2523 B8R0.5 CNNC(=O)C[S+](C)C 22a_100016993582_200159257847 [0,2,0,0,0,0|2,0,0]=4 2524 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [0,2,0,0,0,0|2,0,0]=4 2525 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [0,2,0,0,0,0|2,0,0]=4 2526 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [0,2,0,0,0,0|2,0,0]=4 2527 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,2,0,0,0,0|0,1,0]=3 2528 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,2,0,0,0,0|0,1,0]=3 2529 B8R0.5 COCC(=O)CC(F)F 1458a_100000210968_100011934356 [0,2,0,0,0,0|1,1,0]=4 2530 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,2,0,0,0,0|1,1,0]=4 2531 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,2,0,0,0,0|1,1,0]=4 2532 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,2,0,0,0,0|1,1,0]=4 2533 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,2,0,0,0,0|1,1,0]=4 2534 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,2,0,0,0,0|1,1,0]=4 2535 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,2,0,0,0,0|1,1,0]=4 2536 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,2,0,0,0,0|1,0,1]=4 2537 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,2,0,0,0,0|1,0,1]=4 2538 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,2,0,0,0,0|0,0,0]=2 2539 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,2,0,0,0,0|0,0,0]=2 2540 B8R0.5 CSCC(=O)CC(F)F 1458a_100000184570_100011934356 [0,2,0,0,0,0|1,0,0]=3 2541 B8R0.5 CSCC(=O)C[N+](=O)[O-] 1458a_100000184570_100000761209 [0,2,0,0,0,0|2,0,0]=4 2542 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,2,0,0,0,0|1,0,1]=4 2543 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,2,0,0,0,0|1,0,0]=3 2544 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,2,0,0,0,0|1,0,0]=3 2545 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,2,0,0,0,0|1,0,0]=3 2546 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,2,0,0,0,0|1,0,0]=3 2547 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,2,0,0,0,0|1,0,0]=3 2548 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,2,0,0,0,0|1,0,0]=3 2549 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,2,0,0,0,0|1,0,0]=3 2550 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,2,0,0,0,0|1,0,0]=3 2551 B8R0.5 CSCN(C)CC(C)C 2230a_100000747067_100011218213 [0,2,0,0,0,0|2,0,0]=4 2552 B8R0.5 CSCN(C)CC(C)C 269982a_100000747067_100011218213 [0,2,0,0,0,0|2,0,0]=4 2553 B8R0.5 CSCN(C)CC(C)O 2230a_100000227577_100011218213 [0,2,0,0,0,0|2,0,0]=4 2554 B8R0.5 CSCN(C)CC(C)O 269982a_100000227577_100011218213 [0,2,0,0,0,0|2,0,0]=4 2555 B8R0.5 C[C@@H](O)CC(=O)CC#N 1458a_100011933948_100011214920 [0,2,0,0,0,0|1,0,1]=4 2556 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,2,0,0,0,0|1,0,0]=3 2557 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,2,0,0,0,0|1,0,0]=3 2558 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [0,2,0,0,0,0|1,0,1]=4 2559 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,2,0,0,0,0|1,0,1]=4 2560 B8R0.5 O=C(CCO)CC(F)F 1458a_100011216618_100011934356 [0,2,0,0,0,0|2,0,0]=4 2561 B8R0.19 C#CC(=O)CC(=O)CC 1458a_100000211873_100000747405 [0,2,0,0,0,0|1,0,1]=4 2562 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,2,0,0,0,0|1,0,1]=4 2563 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,2,0,0,0,0|1,0,1]=4 2564 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,2,0,0,0,0|1,0,1]=4 2565 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [0,2,0,0,0,0|1,0,1]=4 2566 B8R0.19 C#CC(C)NC(=O)CC 11a_100000707721_100000210414 [0,2,0,0,0,0|2,0,0]=4 2567 B8R0.19 C#CC(C)NC(=O)CC 1626a_100000707721_100000210414 [0,2,0,0,0,0|2,0,0]=4 2568 B8R0.19 C#CC(C)NC(=O)CC 240690a_100000707721_100000210414 [0,2,0,0,0,0|2,0,0]=4 2569 B8R0.19 C#CC(C)NC(=O)CC 527a_100000707721_100000210414 [0,2,0,0,0,0|2,0,0]=4 2570 B8R0.19 C#CC(C)NC(=O)NC 2708a_100000707721_106832991635 [0,2,0,0,0,0|2,0,0]=4 2571 B8R0.19 C#CC(C)NC(=O)NC 2708a_100102657272_100000707721 [0,2,0,0,0,0|2,0,0]=4 2572 B8R0.19 C#CC(C)NC(=O)NC 273464a_100000707721_100102657272 [0,2,0,0,0,0|2,0,0]=4 2573 B8R0.19 C#CC(C)NC(=O)NC 273464a_100102657272_100000707721 [0,2,0,0,0,0|2,0,0]=4 2574 B8R0.19 C#CC(C)NC(=O)NC 512a_100000707721_100102657272 [0,2,0,0,0,0|2,0,0]=4 2575 B8R0.19 C#CC(C)NC(=O)NC 512a_106832991638_100000707721 [0,2,0,0,0,0|2,0,0]=4 2576 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,2,0,0,0,0|1,0,1]=4 2577 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,2,0,0,0,0|1,0,1]=4 2578 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,2,0,0,0,0|1,0,1]=4 2579 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,2,0,0,0,0|1,0,1]=4 2580 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,2,0,0,0,0|1,0,1]=4 2581 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,2,0,0,0,0|1,0,1]=4 2582 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,2,0,0,0,0|1,0,1]=4 2583 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,2,0,0,0,0|1,0,0]=3 2584 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [0,2,0,0,0,0|2,0,0]=4 2585 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,2,0,0,0,0|1,0,0]=3 2586 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,2,0,0,0,0|1,0,0]=3 2587 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,2,0,0,0,0|1,0,0]=3 2588 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,2,0,0,0,0|1,0,0]=3 2589 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,2,0,0,0,0|1,0,1]=4 2590 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,2,0,0,0,0|1,0,1]=4 2591 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,2,0,0,0,0|1,0,1]=4 2592 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,2,0,0,0,0|1,0,1]=4 2593 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,2,0,0,0,0|1,0,0]=3 2594 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,2,0,0,0,0|1,0,1]=4 2595 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,2,0,0,0,0|1,0,0]=3 2596 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,2,0,0,0,0|0,1,0]=3 2597 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,2,0,0,0,0|0,1,0]=3 2598 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,2,0,0,0,0|1,0,0]=3 2599 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,2,0,0,0,0|1,0,0]=3 2600 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,2,0,0,0,0|1,0,0]=3 2601 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,2,0,0,0,0|1,0,0]=3 2602 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,2,0,0,0,0|1,0,0]=3 2603 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,2,0,0,0,0|1,0,0]=3 2604 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,2,0,0,0,0|1,0,0]=3 2605 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,2,0,0,0,0|1,0,0]=3 2606 B8R0.19 CCC(=O)NC(C)C#N 11a_100000737613_100000210414 [0,2,0,0,0,0|2,0,0]=4 2607 B8R0.19 CCC(=O)NC(C)C#N 1626a_100000737613_100000210414 [0,2,0,0,0,0|2,0,0]=4 2608 B8R0.19 CCC(=O)NC(C)C#N 527a_100000737613_100000210414 [0,2,0,0,0,0|2,0,0]=4 2609 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,2,0,0,0,0|1,0,0]=3 2610 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,2,0,0,0,0|1,0,0]=3 2611 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,2,0,0,0,0|1,0,0]=3 2612 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,2,0,0,0,0|1,0,0]=3 2613 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,2,0,0,0,0|2,0,0]=4 2614 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,2,0,0,0,0|2,0,0]=4 2615 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,2,0,0,0,0|2,0,0]=4 2616 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,2,0,0,0,0|2,0,0]=4 2617 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,2,0,0,0,0|2,0,0]=4 2618 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,2,0,0,0,0|2,0,0]=4 2619 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,2,0,0,0,0|2,0,0]=4 2620 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,2,0,0,0,0|2,0,0]=4 2621 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,2,0,0,0,0|1,0,0]=3 2622 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,2,0,0,0,0|1,0,0]=3 2623 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,2,0,0,0,0|1,0,0]=3 2624 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,2,0,0,0,0|1,0,0]=3 2625 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,2,0,0,0,0|2,0,0]=4 2626 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,2,0,0,0,0|2,0,0]=4 2627 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,2,0,0,0,0|1,0,0]=3 2628 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,2,0,0,0,0|1,0,0]=3 2629 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,2,0,0,0,0|1,0,0]=3 2630 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,2,0,0,0,0|1,0,0]=3 2631 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,2,0,0,0,0|1,0,0]=3 2632 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,2,0,0,0,0|1,0,0]=3 2633 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,2,0,0,0,0|2,0,0]=4 2634 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,2,0,0,0,0|2,0,0]=4 2635 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,2,0,0,0,0|1,0,0]=3 2636 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,2,0,0,0,0|1,0,0]=3 2637 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,2,0,0,0,0|2,0,0]=4 2638 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,2,0,0,0,0|1,0,0]=3 2639 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,2,0,0,0,0|1,0,0]=3 2640 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,2,0,0,0,0|1,0,0]=3 2641 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,2,0,0,0,0|1,0,0]=3 2642 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,2,0,0,0,0|1,0,0]=3 2643 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,2,0,0,0,0|0,1,0]=3 2644 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,2,0,0,0,0|0,1,0]=3 2645 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,2,0,0,0,0|0,1,0]=3 2646 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,2,0,0,0,0|2,0,0]=4 2647 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,2,0,0,0,0|1,0,1]=4 2648 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,2,0,0,0,0|0,1,1]=4 2649 B8R0.19 CNC(=O)NC(C)C#N 2708a_100000737613_106832991635 [0,2,0,0,0,0|2,0,0]=4 2650 B8R0.19 CNC(=O)NC(C)C#N 2708a_100102657272_100000737613 [0,2,0,0,0,0|2,0,0]=4 2651 B8R0.19 CNC(=O)NC(C)C#N 273464a_100000737613_100102657272 [0,2,0,0,0,0|2,0,0]=4 2652 B8R0.19 CNC(=O)NC(C)C#N 273464a_100102657272_100000737613 [0,2,0,0,0,0|2,0,0]=4 2653 B8R0.19 CNC(=O)NC(C)C#N 512a_100000737613_100102657272 [0,2,0,0,0,0|2,0,0]=4 2654 B8R0.19 CNC(=O)NC(C)C#N 512a_106832991638_100000737613 [0,2,0,0,0,0|2,0,0]=4 2655 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,2,0,0,0,0|2,0,0]=4 2656 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,2,0,0,0,0|2,0,0]=4 2657 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,2,0,0,0,0|2,0,0]=4 2658 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,2,0,0,0,0|2,0,0]=4 2659 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,2,0,0,0,0|2,0,0]=4 2660 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,2,0,0,0,0|2,0,0]=4 2661 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,2,0,0,0,0|2,0,0]=4 2662 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,2,0,0,0,0|2,0,0]=4 2663 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,2,0,0,0,0|2,0,0]=4 2664 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,2,0,0,0,0|0,1,0]=3 2665 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,2,0,0,0,0|0,1,0]=3 2666 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,2,0,0,0,0|0,1,0]=3 2667 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,2,0,0,0,0|0,1,1]=4 2668 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,2,0,0,0,0|0,1,1]=4 2669 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,2,0,0,0,0|0,1,0]=3 2670 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,2,0,0,0,0|0,1,0]=3 2671 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,2,0,0,0,0|0,1,0]=3 2672 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,2,0,0,0,0|0,1,0]=3 2673 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,2,0,0,0,0|0,1,0]=3 2674 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,2,0,0,0,0|2,0,0]=4 2675 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,2,0,0,0,0|1,0,0]=3 2676 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,2,0,0,0,0|1,0,0]=3 2677 B8R0.23 C=C(C)C(=O)CC(F)F 1458a_100000185857_100011934356 [0,2,0,0,0,0|2,0,0]=4 2678 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,2,0,0,0,0|2,0,0]=4 2679 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,2,0,0,0,0|2,0,0]=4 2680 B8R0.23 C=C(C)CC(=O)C(=C)C 1458a_100000185857_100000748629 [0,2,0,0,0,0|1,0,1]=4 2681 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,2,0,0,0,0|1,0,1]=4 2682 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [0,2,0,0,0,0|1,0,1]=4 2683 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [0,2,0,0,0,0|1,0,1]=4 2684 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [0,2,0,0,0,0|1,0,1]=4 2685 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,2,0,0,0,0|2,0,0]=4 2686 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,2,0,0,0,0|2,0,0]=4 2687 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,2,0,0,0,0|1,0,1]=4 2688 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,2,0,0,0,0|1,0,1]=4 2689 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,2,0,0,0,0|1,0,1]=4 2690 B8R0.23 CC(C)C(=O)CC(F)F 1458a_100000210198_100011934356 [0,2,0,0,0,0|2,0,0]=4 2691 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [0,2,0,0,0,0|2,0,0]=4 2692 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [0,2,0,0,0,0|2,0,0]=4 2693 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [0,2,0,0,0,0|2,0,0]=4 2694 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,2,0,0,0,0|1,0,0]=3 2695 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [0,2,0,0,0,0|2,0,0]=4 2696 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,2,0,0,0,0|1,0,0]=3 2697 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,2,0,0,0,0|1,0,0]=3 2698 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,2,0,0,0,0|1,0,0]=3 2699 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [0,2,0,0,0,0|2,0,0]=4 2700 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,2,0,0,0,0|1,0,0]=3 2701 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,2,0,0,0,0|1,0,0]=3 2702 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,2,0,0,0,0|1,0,0]=3 2703 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,2,0,0,0,0|1,0,0]=3 2704 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,2,0,0,0,0|1,0,0]=3 2705 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,2,0,0,0,0|1,0,0]=3 2706 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,2,0,0,0,0|2,0,0]=4 2707 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [0,2,0,0,0,0|2,0,0]=4 2708 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [0,2,0,0,0,0|2,0,0]=4 2709 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [0,2,0,0,0,0|2,0,0]=4 2710 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [0,2,0,0,0,0|2,0,0]=4 2711 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [0,2,0,0,0,0|2,0,0]=4 2712 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [0,2,0,0,0,0|2,0,0]=4 2713 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [0,2,0,0,0,0|2,0,0]=4 2714 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [0,2,0,0,0,0|2,0,0]=4 2715 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [0,2,0,0,0,0|2,0,0]=4 2716 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,2,0,0,0,0|2,0,0]=4 2717 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,2,0,0,0,0|2,0,0]=4 2718 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,2,0,0,0,0|2,0,0]=4 2719 B8R0.23 CC(F)C(=O)CC(F)F 1458a_100000062450_100011934356 [0,2,0,0,0,0|2,0,0]=4 2720 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,2,0,0,0,0|1,0,0]=3 2721 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,2,0,0,0,0|1,0,0]=3 2722 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [0,2,0,0,0,0|2,0,0]=4 2723 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,2,0,0,0,0|1,0,0]=3 2724 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,2,0,0,0,0|1,0,0]=3 2725 B8R0.23 CN(C)C(=O)C[S+](C)C 11a_100102631434_200159257847 [0,2,0,0,0,0|2,0,0]=4 2726 B8R0.23 CN(C)C(=O)C[S+](C)C 1626a_100102631434_200159257847 [0,2,0,0,0,0|2,0,0]=4 2727 B8R0.23 CN(C)C(=O)C[S+](C)C 240690a_100102631434_200159257847 [0,2,0,0,0,0|2,0,0]=4 2728 B8R0.23 CN(C)C(=O)C[S+](C)C 527a_100102631434_200159257847 [0,2,0,0,0,0|2,0,0]=4 2729 B8R0.23 CN(C)CC(=O)N(C)C 11a_100102631434_100000750896 [0,2,0,0,0,0|2,0,0]=4 2730 B8R0.23 CN(C)CC(=O)N(C)C 2230a_100000185065_200000210301 [0,2,0,0,0,0|2,0,0]=4 2731 B8R0.23 CN(C)CC(=O)N(C)C 2230a_100102631434_100000185267 [0,2,0,0,0,0|2,0,0]=4 2732 B8R0.23 CN(C)CC(=O)N(C)C 240690a_100102631434_100000750896 [0,2,0,0,0,0|2,0,0]=4 2733 B8R0.23 CN(C)CC(=O)N(C)C 269982a_100102631434_100000185267 [0,2,0,0,0,0|2,0,0]=4 2734 B8R0.23 CN(C)CC(=O)N(C)C 527a_100102631434_100000750896 [0,2,0,0,0,0|2,0,0]=4 2735 B8R0.23 CN([13CH3])CC(=O)N(C)C 2230a_100000185065_200025704644 [0,2,0,0,0,0|2,0,0]=4 2736 B8R0.23 C[C@@H](O)C(=O)CC(F)F 1458a_100000717761_100011934356 [0,2,0,0,0,0|2,0,0]=4 2737 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [0,2,0,0,0,0|1,0,0]=3 2738 B8R0.23 C[C@H](O)C(=O)CC(F)F 1458a_217856618621_100011934356 [0,2,0,0,0,0|2,0,0]=4 2739 B8R0.24 CC(C)(C)CC(=O)CF 1458a_100000211214_100015361967 [0,2,0,0,0,0|2,0,0]=4 2740 B8R0.24 CC(C)(O)CC(=O)CF 1458a_100000693243_100015361967 [0,2,0,0,0,0|2,0,0]=4 2741 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [0,2,0,0,0,0|1,0,0]=3 2742 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [0,2,0,0,0,0|1,0,0]=3 2743 B8R0.24 CCC(=O)CC(F)(F)F 1458a_100000245130_100000210202 [0,2,0,0,0,0|2,0,0]=4 2744 B8R0.24 CCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210202 [0,2,0,0,0,0|2,0,0]=4 2745 B8R0.24 CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210202 [0,2,0,0,0,0|2,0,0]=4 2746 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100000210414_100000233785 [0,2,0,0,0,0|1,1,0]=4 2747 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210202 [0,2,0,0,0,0|1,1,0]=4 2748 B8R0.24 CCC(=O)NC(C)(C)C 11a_100000715429_100000210414 [0,2,0,0,0,0|2,0,0]=4 2749 B8R0.24 CCC(=O)NC(C)(C)C 1626a_100000715429_100000210414 [0,2,0,0,0,0|2,0,0]=4 2750 B8R0.24 CCC(=O)NC(C)(C)C 240690a_100000715429_100000210414 [0,2,0,0,0,0|2,0,0]=4 2751 B8R0.24 CCC(=O)NC(C)(C)C 527a_100000715429_100000210414 [0,2,0,0,0,0|2,0,0]=4 2752 B8R0.24 CNC(=O)CC(C)(C)C 11a_106832991635_100000211214 [0,2,0,0,0,0|1,0,0]=3 2753 B8R0.24 CNC(=O)CC(C)(C)C 1626a_100102657272_100000211214 [0,2,0,0,0,0|1,0,0]=3 2754 B8R0.24 CNC(=O)CC(C)(C)C 240690a_100102657272_100000211214 [0,2,0,0,0,0|1,0,0]=3 2755 B8R0.24 CNC(=O)CC(C)(C)C 527a_100102657272_100000211214 [0,2,0,0,0,0|1,0,0]=3 2756 B8R0.24 CNC(=O)CC(C)(C)O 527a_100102657272_100000693243 [0,2,0,0,0,0|1,0,0]=3 2757 B8R0.24 CNC(=O)CC(F)(F)F 11a_106832991635_100000245130 [0,2,0,0,0,0|2,0,0]=4 2758 B8R0.24 CNC(=O)CC(F)(F)F 1626a_100102657272_100000245130 [0,2,0,0,0,0|2,0,0]=4 2759 B8R0.24 CNC(=O)CC(F)(F)F 527a_100102657272_100000245130 [0,2,0,0,0,0|2,0,0]=4 2760 B8R0.24 CNC(=O)CS(=O)(=O)C 11a_106832991635_100000744497 [0,2,0,0,0,0|2,0,0]=4 2761 B8R0.24 CNC(=O)CS(=O)(=O)C 240690a_100102657272_100000744497 [0,2,0,0,0,0|2,0,0]=4 2762 B8R0.24 CNC(=O)CS(=O)(=O)C 527a_100102657272_100000744497 [0,2,0,0,0,0|2,0,0]=4 2763 B8R0.24 CNC(=O)C[N+](C)(C)C 11a_106832991635_100000033712 [0,2,0,0,0,0|2,0,0]=4 2764 B8R0.24 CNC(=O)C[N+](C)(C)C 1626a_100102657272_100000033712 [0,2,0,0,0,0|2,0,0]=4 2765 B8R0.24 CNC(=O)C[N+](C)(C)C 240690a_100102657272_100000033712 [0,2,0,0,0,0|2,0,0]=4 2766 B8R0.24 CNC(=O)C[N+](C)(C)C 527a_100102657272_100000033712 [0,2,0,0,0,0|2,0,0]=4 2767 B8R0.24 CNC(=O)C[Si](C)(C)C 11a_106832991635_100011218504 [0,2,0,0,0,0|1,1,0]=4 2768 B8R0.24 CNC(=O)C[Si](C)(C)C 1626a_100102657272_100011218504 [0,2,0,0,0,0|1,1,0]=4 2769 B8R0.24 CNC(=O)NC(C)(C)C 2708a_100102657272_100000715429 [0,2,0,0,0,0|2,0,0]=4 2770 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100000715429_100102657272 [0,2,0,0,0,0|2,0,0]=4 2771 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100102657272_100000715429 [0,2,0,0,0,0|2,0,0]=4 2772 B8R0.24 CNC(=O)NC(C)(C)C 512a_100000715429_100102657272 [0,2,0,0,0,0|2,0,0]=4 2773 B8R0.34 CNS(=O)(=O)CC(C)C 270084a_100102657272_100000748289 [0,2,0,0,0,0|2,0,0]=4 2774 B8R0.34 CNS(=O)(=O)CC(C)C 274078a_100102657272_100000748289 [0,2,0,0,0,0|2,0,0]=4 2775 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,2,0,0,0,0|1,0,1]=4 2776 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,2,0,0,0,0|1,0,1]=4 2777 B8R0.1 C#CCC(=O)CCCF 1458a_100011220946_100011934791 [0,2,0,0,0,0|1,0,1]=4 2778 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [0,2,0,0,0,0|1,0,1]=4 2779 B8R0.1 C#CCC(=O)CCOC 1458a_100000749529_100000184674 [0,2,0,0,0,0|1,0,1]=4 2780 B8R0.1 C#CCC(=O)CCOC 1458a_100011220946_100000233755 [0,2,0,0,0,0|1,0,1]=4 2781 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [0,2,0,0,0,0|0,0,2]=4 2782 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [0,2,0,0,0,0|0,0,2]=4 2783 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [0,2,0,0,0,0|1,0,1]=4 2784 B8R0.1 C#CCC(=O)CSCC 1458a_100000230394_100000184674 [0,2,0,0,0,0|0,0,2]=4 2785 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [0,2,0,0,0,0|1,0,1]=4 2786 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [0,2,0,0,0,0|1,0,1]=4 2787 B8R0.1 C#CCCC(=O)C#CC 1458a_100000763181_100000753159 [0,2,0,0,0,0|1,0,1]=4 2788 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [0,2,0,0,0,0|1,0,1]=4 2789 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,2,0,0,0,0|1,0,0]=3 2790 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,2,0,0,0,0|1,0,0]=3 2791 B8R0.1 C#CCCC(=O)CCF 1458a_100000692101_100011217306 [0,2,0,0,0,0|1,0,1]=4 2792 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,2,0,0,0,0|1,0,1]=4 2793 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,2,0,0,0,0|1,0,1]=4 2794 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,2,0,0,0,0|0,1,1]=4 2795 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,2,0,0,0,0|0,0,1]=3 2796 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,2,0,0,0,0|1,0,1]=4 2797 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,2,0,0,0,0|1,0,1]=4 2798 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,2,0,0,0,0|1,0,1]=4 2799 B8R0.1 C#CCCC(=O)NNC 22a_100016993582_100000692101 [0,2,0,0,0,0|1,0,1]=4 2800 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [0,2,0,0,0,0|1,0,0]=3 2801 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [0,2,0,0,0,0|1,0,0]=3 2802 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [0,2,0,0,0,0|1,0,0]=3 2803 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [0,2,0,0,0,0|1,0,0]=3 2804 B8R0.1 C#CCNC(=O)CCO 240690a_100000212058_100011216618 [0,2,0,0,0,0|2,0,0]=4 2805 B8R0.1 C#CCNC(=O)CNC 2230a_100000747989_200000210301 [0,2,0,0,0,0|2,0,0]=4 2806 B8R0.1 C#CCNC(=O)CNC 34a_100000747989_200000210301 [0,2,0,0,0,0|2,0,0]=4 2807 B8R0.1 C#CCNC(=O)CN[13CH3] 2230a_100000747989_200025704644 [0,2,0,0,0,0|2,0,0]=4 2808 B8R0.1 C#CCNC(=O)CN[13CH3] 34a_100000747989_200025704644 [0,2,0,0,0,0|2,0,0]=4 2809 B8R0.1 C#CCNC(=O)COC 11a_100000212058_100000210968 [0,2,0,0,0,0|2,0,0]=4 2810 B8R0.1 C#CCNC(=O)COC 1626a_100000212058_100000210968 [0,2,0,0,0,0|2,0,0]=4 2811 B8R0.1 C#CCNC(=O)COC 240690a_100000212058_100000210968 [0,2,0,0,0,0|2,0,0]=4 2812 B8R0.1 C#CCNC(=O)COC 527a_100000212058_100000210968 [0,2,0,0,0,0|2,0,0]=4 2813 B8R0.1 C#CCNC(=O)CSC 11a_100000212058_100000184570 [0,2,0,0,0,0|0,0,2]=4 2814 B8R0.1 C#CCNC(=O)CSC 1626a_100000212058_100000184570 [0,2,0,0,0,0|0,0,2]=4 2815 B8R0.1 C#CCNC(=O)CSC 240690a_100000212058_100000184570 [0,2,0,0,0,0|0,0,2]=4 2816 B8R0.1 C#CCNC(=O)CSC 527a_100000212058_100000184570 [0,2,0,0,0,0|0,0,2]=4 2817 B8R0.1 C#CCNC(=O)NCC 2708a_100000212058_100015525214 [0,2,0,0,0,0|2,0,0]=4 2818 B8R0.1 C#CCNC(=O)NCC 2708a_100015525214_100000212058 [0,2,0,0,0,0|2,0,0]=4 2819 B8R0.1 C#CCNC(=O)NCC 273464a_100000212058_100015525214 [0,2,0,0,0,0|2,0,0]=4 2820 B8R0.1 C#CCNC(=O)NCC 273464a_100015525214_100000212058 [0,2,0,0,0,0|2,0,0]=4 2821 B8R0.1 C#CCNC(=O)NCC 512a_100000212058_100015525214 [0,2,0,0,0,0|2,0,0]=4 2822 B8R0.1 C#CCNC(=O)NCC 512a_100015525214_100000212058 [0,2,0,0,0,0|2,0,0]=4 2823 B8R0.1 C#CCSC(C)CCC 62a_100000038162_100000766640 [0,2,0,0,0,0|1,0,1]=4 2824 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,2,0,0,0,0|1,0,0]=3 2825 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,2,0,0,0,0|1,0,1]=4 2826 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,2,0,0,0,0|0,1,1]=4 2827 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,2,0,0,0,0|0,0,1]=3 2828 B8R0.1 C=C(CSC)OCOC 62a_100000042856_200000210301 [0,2,0,0,0,0|2,0,0]=4 2829 B8R0.1 C=C(CSC)OCOC 62a_200000210301_100000042856 [0,2,0,0,0,0|2,0,0]=4 2830 B8R0.1 C=C(CS[13CH3])OCOC 62a_100000042856_200025704644 [0,2,0,0,0,0|2,0,0]=4 2831 B8R0.1 C=C(CS[13CH3])OCOC 62a_200025704644_100000042856 [0,2,0,0,0,0|2,0,0]=4 2832 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,2,0,0,0,0|1,0,1]=4 2833 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,2,0,0,0,0|1,0,1]=4 2834 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,2,0,0,0,0|1,0,1]=4 2835 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,2,0,0,0,0|1,0,1]=4 2836 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,2,0,0,0,0|1,0,1]=4 2837 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,2,0,0,0,0|1,0,1]=4 2838 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,2,0,0,0,0|1,0,1]=4 2839 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,2,0,0,0,0|0,0,2]=4 2840 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,2,0,0,0,0|0,0,2]=4 2841 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,2,0,0,0,0|1,0,1]=4 2842 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,2,0,0,0,0|0,0,2]=4 2843 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,2,0,0,0,0|1,0,1]=4 2844 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,2,0,0,0,0|1,0,1]=4 2845 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,2,0,0,0,0|1,0,1]=4 2846 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,2,0,0,0,0|1,0,1]=4 2847 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [0,2,0,0,0,0|1,0,1]=4 2848 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,2,0,0,0,0|1,0,1]=4 2849 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,2,0,0,0,0|1,0,0]=3 2850 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,2,0,0,0,0|1,0,0]=3 2851 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,2,0,0,0,0|1,0,1]=4 2852 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,2,0,0,0,0|1,0,1]=4 2853 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,2,0,0,0,0|1,0,1]=4 2854 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,2,0,0,0,0|0,1,1]=4 2855 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,2,0,0,0,0|0,0,1]=3 2856 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,2,0,0,0,0|1,0,1]=4 2857 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,2,0,0,0,0|1,0,1]=4 2858 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,2,0,0,0,0|1,0,1]=4 2859 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [0,2,0,0,0,0|1,0,1]=4 2860 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,2,0,0,0,0|1,0,0]=3 2861 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,2,0,0,0,0|1,0,0]=3 2862 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,2,0,0,0,0|1,0,0]=3 2863 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,2,0,0,0,0|2,0,0]=4 2864 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [0,2,0,0,0,0|2,0,0]=4 2865 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [0,2,0,0,0,0|2,0,0]=4 2866 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [0,2,0,0,0,0|2,0,0]=4 2867 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [0,2,0,0,0,0|2,0,0]=4 2868 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [0,2,0,0,0,0|2,0,0]=4 2869 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [0,2,0,0,0,0|0,0,2]=4 2870 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [0,2,0,0,0,0|0,0,2]=4 2871 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [0,2,0,0,0,0|0,0,2]=4 2872 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [0,2,0,0,0,0|0,0,2]=4 2873 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [0,2,0,0,0,0|0,0,2]=4 2874 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [0,2,0,0,0,0|0,0,2]=4 2875 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [0,2,0,0,0,0|0,0,2]=4 2876 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,2,0,0,0,0|2,0,0]=4 2877 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,2,0,0,0,0|2,0,0]=4 2878 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,2,0,0,0,0|2,0,0]=4 2879 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,2,0,0,0,0|2,0,0]=4 2880 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,2,0,0,0,0|2,0,0]=4 2881 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,2,0,0,0,0|1,1,0]=4 2882 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,2,0,0,0,0|1,1,0]=4 2883 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,2,0,0,0,0|1,1,0]=4 2884 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,2,0,0,0,0|1,1,0]=4 2885 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,2,0,0,0,0|0,0,2]=4 2886 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,2,0,0,0,0|0,0,2]=4 2887 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,2,0,0,0,0|0,0,2]=4 2888 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,2,0,0,0,0|0,0,2]=4 2889 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [0,2,0,0,0,0|1,0,1]=4 2890 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [0,2,0,0,0,0|1,0,1]=4 2891 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,2,0,0,0,0|0,1,1]=4 2892 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,2,0,0,0,0|0,1,1]=4 2893 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,2,0,0,0,0|0,1,1]=4 2894 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,2,0,0,0,0|0,1,1]=4 2895 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [0,2,0,0,0,0|1,0,1]=4 2896 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [0,2,0,0,0,0|1,0,1]=4 2897 B8R0.1 CC#CC(=O)CCC#N 1458a_100000763181_100011215226 [0,2,0,0,0,0|1,0,1]=4 2898 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,2,0,0,0,0|1,0,0]=3 2899 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,2,0,0,0,0|1,0,0]=3 2900 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,2,0,0,0,0|1,0,0]=3 2901 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,2,0,0,0,0|1,0,0]=3 2902 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,2,0,0,0,0|1,0,0]=3 2903 B8R0.1 CC#CC(=O)NNCC 22a_100000756455_100000763181 [0,2,0,0,0,0|2,0,0]=4 2904 B8R0.1 CC#CCC(=O)C#CC 1458a_100000763181_100000748600 [0,2,0,0,0,0|1,0,1]=4 2905 B8R0.1 CC#CCC(=O)C=CC 1458a_100000210699_100000748600 [0,2,0,0,0,0|1,0,1]=4 2906 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,2,0,0,0,0|1,0,0]=3 2907 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [0,2,0,0,0,0|1,0,1]=4 2908 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [0,2,0,0,0,0|0,1,1]=4 2909 B8R0.1 CC#CCC(=O)CSC 1458a_100000184570_100000748600 [0,2,0,0,0,0|0,0,1]=3 2910 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,2,0,0,0,0|1,0,1]=4 2911 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [0,2,0,0,0,0|1,0,1]=4 2912 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,2,0,0,0,0|1,0,0]=3 2913 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,2,0,0,0,0|1,0,0]=3 2914 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,2,0,0,0,0|1,0,0]=3 2915 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,2,0,0,0,0|1,0,0]=3 2916 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,2,0,0,0,0|1,0,0]=3 2917 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,2,0,0,0,0|1,0,0]=3 2918 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,2,0,0,0,0|1,0,0]=3 2919 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,2,0,0,0,0|1,0,0]=3 2920 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [0,2,0,0,0,0|2,0,0]=4 2921 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [0,2,0,0,0,0|2,0,0]=4 2922 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [0,2,0,0,0,0|2,0,0]=4 2923 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,2,0,0,0,0|2,0,0]=4 2924 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [0,2,0,0,0,0|2,0,0]=4 2925 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,2,0,0,0,0|1,0,1]=4 2926 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,2,0,0,0,0|1,0,0]=3 2927 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,2,0,0,0,0|1,0,0]=3 2928 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,2,0,0,0,0|1,0,1]=4 2929 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,2,0,0,0,0|1,0,1]=4 2930 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,2,0,0,0,0|1,0,1]=4 2931 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,2,0,0,0,0|0,1,1]=4 2932 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,2,0,0,0,0|0,0,1]=3 2933 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,2,0,0,0,0|1,0,1]=4 2934 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,2,0,0,0,0|1,0,1]=4 2935 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,2,0,0,0,0|1,0,1]=4 2936 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,2,0,0,0,0|1,0,1]=4 2937 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,2,0,0,0,0|1,0,0]=3 2938 B8R0.1 CC=NNC(=O)COC 4a_100000216845_200000210099 [0,2,0,0,0,0|2,0,0]=4 2939 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,2,0,0,0,0|1,0,0]=3 2940 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [0,2,0,0,0,0|1,0,1]=4 2941 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,2,0,0,0,0|1,0,1]=4 2942 B8R0.1 CCC#CC(=O)NNC 22a_100016993582_100011827653 [0,2,0,0,0,0|1,0,1]=4 2943 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,2,0,0,0,0|1,0,0]=3 2944 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,2,0,0,0,0|1,0,1]=4 2945 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,2,0,0,0,0|1,0,1]=4 2946 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,2,0,0,0,0|1,0,1]=4 2947 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,2,0,0,0,0|1,0,1]=4 2948 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,2,0,0,0,0|1,0,1]=4 2949 B8R0.1 CCCC(=NNCC)C 4a_100000756455_100000211909 [0,2,0,0,0,0|2,0,0]=4 2950 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [0,2,0,0,0,0|1,0,0]=3 2951 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,2,0,0,0,0|0,1,0]=3 2952 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,2,0,0,0,0|1,0,0]=3 2953 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,2,0,0,0,0|1,0,0]=3 2954 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,2,0,0,0,0|1,0,0]=3 2955 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,2,0,0,0,0|1,0,0]=3 2956 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,2,0,0,0,0|0,1,0]=3 2957 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,2,0,0,0,0|0,1,0]=3 2958 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,2,0,0,0,0|0,0,0]=2 2959 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,2,0,0,0,0|0,0,0]=2 2960 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,2,0,0,0,0|1,0,0]=3 2961 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,2,0,0,0,0|0,1,0]=3 2962 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,2,0,0,0,0|0,0,0]=2 2963 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,2,0,0,0,0|0,0,0]=2 2964 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,2,0,0,0,0|0,0,0]=2 2965 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,2,0,0,0,0|0,0,0]=2 2966 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,2,0,0,0,0|0,0,0]=2 2967 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [0,2,0,0,0,0|1,0,0]=3 2968 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [0,2,0,0,0,0|1,0,0]=3 2969 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,2,0,0,0,0|1,0,0]=3 2970 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,2,0,0,0,0|1,0,0]=3 2971 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,2,0,0,0,0|1,0,0]=3 2972 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,2,0,0,0,0|1,0,0]=3 2973 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,2,0,0,0,0|1,0,0]=3 2974 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,2,0,0,0,0|1,0,0]=3 2975 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,2,0,0,0,0|1,0,0]=3 2976 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,2,0,0,0,0|0,1,0]=3 2977 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,2,0,0,0,0|0,1,0]=3 2978 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,2,0,0,0,0|0,1,0]=3 2979 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,2,0,0,0,0|0,0,0]=2 2980 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,2,0,0,0,0|0,0,0]=2 2981 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,2,0,0,0,0|1,0,1]=4 2982 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,2,0,0,0,0|1,0,1]=4 2983 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [0,2,0,0,0,0|1,0,1]=4 2984 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [0,2,0,0,0,0|1,0,1]=4 2985 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [0,2,0,0,0,0|1,0,1]=4 2986 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,2,0,0,0,0|1,0,1]=4 2987 B8R0.1 CCCC(C)SCC#N 62a_100000766640_100011215382 [0,2,0,0,0,0|1,0,1]=4 2988 B8R0.1 CCCC(C)SCC#N 62a_100011215382_100000766640 [0,2,0,0,0,0|1,0,1]=4 2989 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,2,0,0,0,0|1,0,1]=4 2990 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,2,0,0,0,0|1,0,1]=4 2991 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [0,2,0,0,0,0|1,0,1]=4 2992 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [0,2,0,0,0,0|1,0,1]=4 2993 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,2,0,0,0,0|1,0,1]=4 2994 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,2,0,0,0,0|1,0,1]=4 2995 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [0,2,0,0,0,0|1,0,1]=4 2996 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [0,2,0,0,0,0|1,0,1]=4 2997 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [0,2,0,0,0,0|1,0,1]=4 2998 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [0,2,0,0,0,0|1,0,1]=4 2999 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,2,0,0,0,0|1,0,1]=4 3000 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,2,0,0,0,0|1,0,1]=4 3001 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,2,0,0,0,0|1,0,1]=4 3002 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,2,0,0,0,0|1,0,1]=4 3003 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,2,0,0,0,0|1,0,1]=4 3004 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,2,0,0,0,0|1,0,0]=3 3005 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,2,0,0,0,0|1,0,0]=3 3006 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,2,0,0,0,0|1,0,0]=3 3007 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,2,0,0,0,0|1,0,0]=3 3008 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,2,0,0,0,0|1,0,0]=3 3009 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,2,0,0,0,0|0,1,0]=3 3010 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,2,0,0,0,0|0,0,0]=2 3011 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,2,0,0,0,0|1,0,0]=3 3012 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,2,0,0,0,0|1,0,0]=3 3013 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,2,0,0,0,0|1,0,0]=3 3014 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,2,0,0,0,0|1,0,0]=3 3015 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,2,0,0,0,0|1,0,1]=4 3016 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,2,0,0,0,0|1,0,1]=4 3017 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [0,2,0,0,0,0|1,0,1]=4 3018 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [0,2,0,0,0,0|1,0,1]=4 3019 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [0,2,0,0,0,0|2,0,0]=4 3020 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [0,2,0,0,0,0|2,0,0]=4 3021 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,2,0,0,0,0|2,0,0]=4 3022 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,2,0,0,0,0|2,0,0]=4 3023 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,2,0,0,0,0|2,0,0]=4 3024 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,2,0,0,0,0|2,0,0]=4 3025 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,2,0,0,0,0|1,0,1]=4 3026 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,2,0,0,0,0|1,0,1]=4 3027 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,2,0,0,0,0|1,0,1]=4 3028 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,2,0,0,0,0|1,0,1]=4 3029 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,2,0,0,0,0|1,0,1]=4 3030 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,2,0,0,0,0|1,0,1]=4 3031 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [0,2,0,0,0,0|1,0,1]=4 3032 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [0,2,0,0,0,0|1,0,1]=4 3033 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,2,0,0,0,0|1,0,0]=3 3034 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,2,0,0,0,0|1,0,0]=3 3035 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,2,0,0,0,0|1,0,0]=3 3036 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,2,0,0,0,0|1,0,0]=3 3037 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,2,0,0,0,0|1,0,0]=3 3038 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,2,0,0,0,0|1,0,0]=3 3039 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,2,0,0,0,0|1,0,0]=3 3040 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,2,0,0,0,0|1,0,0]=3 3041 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,2,0,0,0,0|1,0,0]=3 3042 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,2,0,0,0,0|1,0,0]=3 3043 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,2,0,0,0,0|0,1,0]=3 3044 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,2,0,0,0,0|0,1,0]=3 3045 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,2,0,0,0,0|0,1,0]=3 3046 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,2,0,0,0,0|0,1,0]=3 3047 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,2,0,0,0,0|0,1,0]=3 3048 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,2,0,0,0,0|0,0,0]=2 3049 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,2,0,0,0,0|0,0,0]=2 3050 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,2,0,0,0,0|0,0,0]=2 3051 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,2,0,0,0,0|0,0,0]=2 3052 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,2,0,0,0,0|0,0,0]=2 3053 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,2,0,0,0,0|0,0,0]=2 3054 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,2,0,0,0,0|0,0,0]=2 3055 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,2,0,0,0,0|0,0,0]=2 3056 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,2,0,0,0,0|1,0,0]=3 3057 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,2,0,0,0,0|1,0,0]=3 3058 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,2,0,0,0,0|1,0,0]=3 3059 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,2,0,0,0,0|1,0,0]=3 3060 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,2,0,0,0,0|1,0,0]=3 3061 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,2,0,0,0,0|1,0,0]=3 3062 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,2,0,0,0,0|1,0,0]=3 3063 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,2,0,0,0,0|1,0,0]=3 3064 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,2,0,0,0,0|1,0,0]=3 3065 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,2,0,0,0,0|1,0,1]=4 3066 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,2,0,0,0,0|1,0,0]=3 3067 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,2,0,0,0,0|1,0,0]=3 3068 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,2,0,0,0,0|1,0,0]=3 3069 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,2,0,0,0,0|0,1,0]=3 3070 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,2,0,0,0,0|0,0,0]=2 3071 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,2,0,0,0,0|0,0,0]=2 3072 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,2,0,0,0,0|0,0,0]=2 3073 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,2,0,0,0,0|0,0,0]=2 3074 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,2,0,0,0,0|1,0,1]=4 3075 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,2,0,0,0,0|1,0,1]=4 3076 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,2,0,0,0,0|1,1,0]=4 3077 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,2,0,0,0,0|1,0,1]=4 3078 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,2,0,0,0,0|1,0,1]=4 3079 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,2,0,0,0,0|1,0,1]=4 3080 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,2,0,0,0,0|1,0,0]=3 3081 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,2,0,0,0,0|1,0,0]=3 3082 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,2,0,0,0,0|1,0,0]=3 3083 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,2,0,0,0,0|1,0,0]=3 3084 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,2,0,0,0,0|1,0,0]=3 3085 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,2,0,0,0,0|1,0,0]=3 3086 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,2,0,0,0,0|1,0,0]=3 3087 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,2,0,0,0,0|1,0,0]=3 3088 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,2,0,0,0,0|1,0,0]=3 3089 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,2,0,0,0,0|1,0,0]=3 3090 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,2,0,0,0,0|1,0,0]=3 3091 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,2,0,0,0,0|1,0,0]=3 3092 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,2,0,0,0,0|1,0,0]=3 3093 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,2,0,0,0,0|1,0,0]=3 3094 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,2,0,0,0,0|1,0,0]=3 3095 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,2,0,0,0,0|1,0,0]=3 3096 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,2,0,0,0,0|1,0,0]=3 3097 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,2,0,0,0,0|1,0,0]=3 3098 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,2,0,0,0,0|1,0,0]=3 3099 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,2,0,0,0,0|1,0,0]=3 3100 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,2,0,0,0,0|1,0,0]=3 3101 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,2,0,0,0,0|1,0,0]=3 3102 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,2,0,0,0,0|1,0,0]=3 3103 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,2,0,0,0,0|1,0,0]=3 3104 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,2,0,0,0,0|1,0,0]=3 3105 B8R0.1 CCNC(=O)NCC#N 2708a_100000734998_100015525214 [0,2,0,0,0,0|2,0,0]=4 3106 B8R0.1 CCNC(=O)NCC#N 273464a_100000734998_100015525214 [0,2,0,0,0,0|2,0,0]=4 3107 B8R0.1 CCNC(=O)NCC#N 273464a_100015525214_100000734998 [0,2,0,0,0,0|2,0,0]=4 3108 B8R0.1 CCNC(=O)NCC#N 512a_100000734998_100015525214 [0,2,0,0,0,0|2,0,0]=4 3109 B8R0.1 CCNC(=O)NCC#N 512a_100015525214_100000734998 [0,2,0,0,0,0|2,0,0]=4 3110 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,2,0,0,0,0|2,0,0]=4 3111 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,2,0,0,0,0|2,0,0]=4 3112 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,2,0,0,0,0|2,0,0]=4 3113 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,2,0,0,0,0|2,0,0]=4 3114 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,2,0,0,0,0|2,0,0]=4 3115 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,2,0,0,0,0|2,0,0]=4 3116 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,2,0,0,0,0|2,0,0]=4 3117 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,2,0,0,0,0|2,0,0]=4 3118 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,2,0,0,0,0|1,0,0]=3 3119 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,2,0,0,0,0|1,0,0]=3 3120 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,2,0,0,0,0|1,0,0]=3 3121 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,2,0,0,0,0|0,1,0]=3 3122 B8R0.1 CCNN=C(C)CSC 4a_100000756455_100011216314 [0,2,0,0,0,0|2,0,0]=4 3123 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,2,0,0,0,0|2,0,0]=4 3124 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,2,0,0,0,0|1,1,0]=4 3125 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [0,2,0,0,0,0|1,0,0]=3 3126 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,2,0,0,0,0|2,0,0]=4 3127 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,2,0,0,0,0|2,0,0]=4 3128 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,2,0,0,0,0|2,0,0]=4 3129 B8R0.1 CCNNC(=O)NNC 512a_100000756455_100016993582 [0,2,0,0,0,0|2,0,0]=4 3130 B8R0.1 CCNNC(=O)NNC 512a_100016993582_100000756455 [0,2,0,0,0,0|2,0,0]=4 3131 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,2,0,0,0,0|0,1,0]=3 3132 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,2,0,0,0,0|0,1,0]=3 3133 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,2,0,0,0,0|0,1,0]=3 3134 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,2,0,0,0,0|0,1,0]=3 3135 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,2,0,0,0,0|0,1,0]=3 3136 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,2,0,0,0,0|0,1,0]=3 3137 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,2,0,0,0,0|0,1,0]=3 3138 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,2,0,0,0,0|0,1,0]=3 3139 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,2,0,0,0,0|0,1,0]=3 3140 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,2,0,0,0,0|0,1,0]=3 3141 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,2,0,0,0,0|1,0,0]=3 3142 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,2,0,0,0,0|1,0,0]=3 3143 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,2,0,0,0,0|1,0,0]=3 3144 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,2,0,0,0,0|1,0,0]=3 3145 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [0,2,0,0,0,0|1,0,1]=4 3146 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,2,0,0,0,0|1,0,0]=3 3147 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,2,0,0,0,0|1,0,0]=3 3148 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,2,0,0,0,0|1,0,0]=3 3149 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,2,0,0,0,0|1,0,0]=3 3150 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,2,0,0,0,0|0,1,0]=3 3151 B8R0.1 CCSCC(=O)CC#N 1458a_100000230394_100011214920 [0,2,0,0,0,0|1,0,1]=4 3152 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,2,0,0,0,0|1,0,0]=3 3153 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,2,0,0,0,0|1,0,0]=3 3154 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,2,0,0,0,0|1,0,0]=3 3155 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,2,0,0,0,0|1,0,0]=3 3156 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,2,0,0,0,0|1,0,0]=3 3157 B8R0.1 CNCC(=O)NCC#N 2230a_106832991635_100000736037 [0,2,0,0,0,0|2,0,0]=4 3158 B8R0.1 CNCC(=O)NCC#N 7a_106832991635_100000736037 [0,2,0,0,0,0|2,0,0]=4 3159 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,2,0,0,0,0|2,0,0]=4 3160 B8R0.1 CNNC(=O)CCC#N 22a_100016993582_100011934036 [0,2,0,0,0,0|1,0,1]=4 3161 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,2,0,0,0,0|1,0,0]=3 3162 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,2,0,0,0,0|1,0,0]=3 3163 B8R0.1 CNNC(=O)NCCF 273464a_100000724931_100016993582 [0,2,0,0,0,0|2,0,0]=4 3164 B8R0.1 CNNC(=O)NCCF 512a_100016993582_100000724931 [0,2,0,0,0,0|2,0,0]=4 3165 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [0,2,0,0,0,0|2,0,0]=4 3166 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [0,2,0,0,0,0|2,0,0]=4 3167 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [0,2,0,0,0,0|1,1,0]=4 3168 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [0,2,0,0,0,0|1,1,0]=4 3169 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,2,0,0,0,0|0,1,1]=4 3170 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,2,0,0,0,0|0,1,0]=3 3171 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,2,0,0,0,0|0,1,0]=3 3172 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,2,0,0,0,0|0,1,0]=3 3173 B8R0.1 COCC(=O)NCC#N 1626a_100000734998_100000210968 [0,2,0,0,0,0|2,0,0]=4 3174 B8R0.1 COCC(=O)NCC#N 527a_100000734998_100000210968 [0,2,0,0,0,0|2,0,0]=4 3175 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,2,0,0,0,0|1,1,0]=4 3176 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,2,0,0,0,0|1,1,0]=4 3177 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,2,0,0,0,0|1,1,0]=4 3178 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,2,0,0,0,0|1,1,0]=4 3179 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,2,0,0,0,0|1,1,0]=4 3180 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,2,0,0,0,0|1,1,0]=4 3181 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [0,2,0,0,0,0|1,0,1]=4 3182 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [0,2,0,0,0,0|1,0,1]=4 3183 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [0,2,0,0,0,0|1,0,1]=4 3184 B8R0.1 COCCC(=O)CC#N 1458a_100000749529_100011214920 [0,2,0,0,0,0|1,0,1]=4 3185 B8R0.1 COCCC(=O)CC#N 1458a_100051588842_100000233755 [0,2,0,0,0,0|1,0,1]=4 3186 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,2,0,0,0,0|1,0,0]=3 3187 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,2,0,0,0,0|1,0,0]=3 3188 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,2,0,0,0,0|1,0,0]=3 3189 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,2,0,0,0,0|0,1,0]=3 3190 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,2,0,0,0,0|0,0,0]=2 3191 B8R0.1 COCCN(C)CSC 2230a_100000743101_100011218213 [0,2,0,0,0,0|2,0,0]=4 3192 B8R0.1 COCCN(C)CSC 269982a_100000743101_100011218213 [0,2,0,0,0,0|2,0,0]=4 3193 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,2,0,0,0,0|0,0,1]=3 3194 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,2,0,0,0,0|0,0,0]=2 3195 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,2,0,0,0,0|0,0,0]=2 3196 B8R0.1 CSCC(=O)NCC#N 1626a_100000734998_100000184570 [0,2,0,0,0,0|1,0,1]=4 3197 B8R0.1 CSCC(=O)NCC#N 527a_100000734998_100000184570 [0,2,0,0,0,0|1,0,1]=4 3198 B8R0.1 CSCC(=O)NCC#N 62a_100000736037_200000210301 [0,2,0,0,0,0|1,0,1]=4 3199 B8R0.1 CSCC(=O)NCC#N 62a_200000210301_100000736037 [0,2,0,0,0,0|1,0,1]=4 3200 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,2,0,0,0,0|1,0,0]=3 3201 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,2,0,0,0,0|1,0,0]=3 3202 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,2,0,0,0,0|1,0,0]=3 3203 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,2,0,0,0,0|1,0,0]=3 3204 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,2,0,0,0,0|1,0,0]=3 3205 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,2,0,0,0,0|1,0,0]=3 3206 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,2,0,0,0,0|1,0,1]=4 3207 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,2,0,0,0,0|1,0,1]=4 3208 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,2,0,0,0,0|1,0,1]=4 3209 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [0,2,0,0,0,0|1,0,1]=4 3210 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [0,2,0,0,0,0|1,0,1]=4 3211 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,2,0,0,0,0|1,0,0]=3 3212 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,2,0,0,0,0|1,0,0]=3 3213 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,2,0,0,0,0|1,0,0]=3 3214 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,2,0,0,0,0|0,0,0]=2 3215 B8R0.1 CSCCN(C)CSC 2230a_100000686725_100011218213 [0,2,0,0,0,0|2,0,0]=4 3216 B8R0.1 CSCCN(C)CSC 269982a_100000686725_100011218213 [0,2,0,0,0,0|2,0,0]=4 3217 B8R0.1 CSCN(C)CCCO 2230a_100000213112_100011218213 [0,2,0,0,0,0|2,0,0]=4 3218 B8R0.1 CSCN(C)CCCO 269982a_100000213112_100011218213 [0,2,0,0,0,0|2,0,0]=4 3219 B8R0.1 N#CCC(=O)CCCF 1458a_100051588842_100011934791 [0,2,0,0,0,0|1,0,1]=4 3220 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [0,2,0,0,0,0|1,0,1]=4 3221 B8R0.1 N#CCCC(=O)CCF 1458a_100011934036_100011217306 [0,2,0,0,0,0|1,0,1]=4 3222 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,2,0,0,0,0|1,0,1]=4 3223 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,2,0,0,0,0|1,0,1]=4 3224 B8R0.1 O=C(C#CCO)CCF 1458a_100000049017_100011217306 [0,2,0,0,0,0|2,0,0]=4 3225 B8R0.1 O=C(C#CCO)CCO 1458a_100000049017_100000211926 [0,2,0,0,0,0|2,0,0]=4 3226 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [0,2,0,0,0,0|1,0,1]=4 3227 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [0,2,0,0,0,0|1,0,1]=4 3228 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [0,2,0,0,0,0|1,0,1]=4 3229 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [0,2,0,0,0,0|1,0,1]=4 3230 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [0,2,0,0,0,0|1,0,1]=4 3231 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [0,2,0,0,0,0|1,0,1]=4 3232 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,2,0,0,0,0|1,0,0]=3 3233 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,2,0,0,0,0|1,0,0]=3 3234 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,2,0,0,0,0|2,0,0]=4 3235 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,2,0,0,0,0|2,0,0]=4 3236 B8R0.1 O=C(CSCF)NCO 62a_100000185155_100015361967 [0,2,0,0,0,0|2,0,0]=4 3237 B8R0.1 O=C(CSCF)NCO 62a_100015361967_100000185155 [0,2,0,0,0,0|2,0,0]=4 3238 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,2,0,0,0,0|2,0,0]=4 3239 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_100000736037_200025704644 [0,2,0,0,0,0|1,0,1]=4 3240 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_200025704644_100000736037 [0,2,0,0,0,0|1,0,1]=4 3241 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,2,0,0,0,0|1,0,1]=4 3242 B8R0.3 C#CC(=O)C(C)CCO 1458a_100000211873_100009893172 [0,2,0,0,0,0|1,0,1]=4 3243 B8R0.3 C#CC(=O)C(C)COC 1458a_100000211873_100000765312 [0,2,0,0,0,0|1,0,1]=4 3244 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,2,0,0,0,0|1,0,0]=3 3245 B8R0.3 C#CC(C)C(=O)CCO 1458a_100011216618_200000035995 [0,2,0,0,0,0|2,0,0]=4 3246 B8R0.3 C#CC(C)C(=O)COC 1458a_100000210968_200000035995 [0,2,0,0,0,0|2,0,0]=4 3247 B8R0.3 C#CC(C)C(=O)CSC 1458a_100000184570_200000035995 [0,2,0,0,0,0|0,0,2]=4 3248 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011192722_100000184674 [0,2,0,0,0,0|1,0,1]=4 3249 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011220946_100000758301 [0,2,0,0,0,0|1,0,1]=4 3250 B8R0.3 C#CCC(=O)C(C)SC 1458a_100000149566_100000184674 [0,2,0,0,0,0|0,0,2]=4 3251 B8R0.3 C#CCC(=O)C(O)CC 1458a_100011196387_100000184674 [0,2,0,0,0,0|1,0,1]=4 3252 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,2,0,0,0,0|1,0,0]=3 3253 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,2,0,0,0,0|2,0,0]=4 3254 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,2,0,0,0,0|2,0,0]=4 3255 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,2,0,0,0,0|2,0,0]=4 3256 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [0,2,0,0,0,0|2,0,0]=4 3257 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,2,0,0,0,0|0,1,1]=4 3258 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,2,0,0,0,0|0,1,1]=4 3259 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,2,0,0,0,0|0,1,1]=4 3260 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,2,0,0,0,0|0,1,1]=4 3261 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,2,0,0,0,0|0,1,1]=4 3262 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,2,0,0,0,0|0,1,1]=4 3263 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,2,0,0,0,0|1,0,1]=4 3264 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [0,2,0,0,0,0|1,0,1]=4 3265 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [0,2,0,0,0,0|1,0,1]=4 3266 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [0,2,0,0,0,0|1,0,1]=4 3267 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [0,2,0,0,0,0|1,0,1]=4 3268 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,2,0,0,0,0|1,0,0]=3 3269 B8R0.3 C=CC(C)C(=O)CCF 1458a_100011216780_100011217306 [0,2,0,0,0,0|2,0,0]=4 3270 B8R0.3 C=CC(C)C(=O)CCO 1458a_100011216780_100000211926 [0,2,0,0,0,0|2,0,0]=4 3271 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,2,0,0,0,0|2,0,0]=4 3272 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,2,0,0,0,0|2,0,0]=4 3273 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,2,0,0,0,0|2,0,0]=4 3274 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,2,0,0,0,0|1,0,1]=4 3275 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,2,0,0,0,0|1,0,1]=4 3276 B8R0.3 C=CCC(=O)C(C)SC 1458a_100000149566_100000210623 [0,2,0,0,0,0|0,0,2]=4 3277 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,2,0,0,0,0|1,0,1]=4 3278 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,2,0,0,0,0|1,0,1]=4 3279 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [0,2,0,0,0,0|1,0,1]=4 3280 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [0,2,0,0,0,0|1,0,1]=4 3281 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [0,2,0,0,0,0|1,0,1]=4 3282 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [0,2,0,0,0,0|1,0,1]=4 3283 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [0,2,0,0,0,0|1,0,0]=3 3284 B8R0.3 CC(C#N)C(=O)CCF 1458a_100000753662_100011217306 [0,2,0,0,0,0|2,0,0]=4 3285 B8R0.3 CC(C#N)C(=O)CCO 1458a_100000753662_100000211926 [0,2,0,0,0,0|2,0,0]=4 3286 B8R0.3 CC(C#N)C(=O)CCO 1458a_100011216618_100000703298 [0,2,0,0,0,0|2,0,0]=4 3287 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,2,0,0,0,0|2,0,0]=4 3288 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,2,0,0,0,0|1,0,1]=4 3289 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,2,0,0,0,0|1,0,1]=4 3290 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 3291 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 3292 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 3293 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,2,0,0,0,0|1,0,0]=3 3294 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 3295 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 3296 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 3297 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [0,2,0,0,0,0|1,0,1]=4 3298 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,2,0,0,0,0|1,0,0]=3 3299 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,2,0,0,0,0|1,0,0]=3 3300 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,2,0,0,0,0|1,0,0]=3 3301 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,2,0,0,0,0|1,0,0]=3 3302 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,2,0,0,0,0|2,0,0]=4 3303 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,2,0,0,0,0|2,0,0]=4 3304 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,2,0,0,0,0|2,0,0]=4 3305 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,2,0,0,0,0|2,0,0]=4 3306 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [0,2,0,0,0,0|1,0,1]=4 3307 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [0,2,0,0,0,0|1,0,1]=4 3308 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [0,2,0,0,0,0|1,0,1]=4 3309 B8R0.3 CCC(C)C(=O)CC#N 1458a_100011192722_100011214920 [0,2,0,0,0,0|1,0,1]=4 3310 B8R0.3 CCC(C)C(=O)CC#N 1458a_100051588842_100000758301 [0,2,0,0,0,0|1,0,1]=4 3311 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,2,0,0,0,0|1,0,0]=3 3312 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,2,0,0,0,0|1,0,0]=3 3313 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,2,0,0,0,0|1,0,0]=3 3314 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,2,0,0,0,0|0,1,0]=3 3315 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,2,0,0,0,0|0,0,0]=2 3316 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [0,2,0,0,0,0|1,0,0]=3 3317 B8R0.3 CCC(C)N(C)CSC 2230a_100000741768_100011218213 [0,2,0,0,0,0|2,0,0]=4 3318 B8R0.3 CCC(C)N(C)CSC 269982a_100000741768_100011218213 [0,2,0,0,0,0|2,0,0]=4 3319 B8R0.3 CCC(O)C(=O)CC#N 1458a_100011196387_100011214920 [0,2,0,0,0,0|1,0,1]=4 3320 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,2,0,0,0,0|1,0,0]=3 3321 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,2,0,0,0,0|1,0,0]=3 3322 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,2,0,0,0,0|1,0,0]=3 3323 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,2,0,0,0,0|1,0,0]=3 3324 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,2,0,0,0,0|1,0,0]=3 3325 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,2,0,0,0,0|1,0,0]=3 3326 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,2,0,0,0,0|1,0,0]=3 3327 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,2,0,0,0,0|1,0,0]=3 3328 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,2,0,0,0,0|0,1,0]=3 3329 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,2,0,0,0,0|0,0,0]=2 3330 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,2,0,0,0,0|1,0,0]=3 3331 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,2,0,0,0,0|1,0,0]=3 3332 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,2,0,0,0,0|1,0,0]=3 3333 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,2,0,0,0,0|1,0,0]=3 3334 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,2,0,0,0,0|1,0,0]=3 3335 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,2,0,0,0,0|1,0,0]=3 3336 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,2,0,0,0,0|1,0,0]=3 3337 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,2,0,0,0,0|1,0,0]=3 3338 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,2,0,0,0,0|2,0,0]=4 3339 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,2,0,0,0,0|2,0,0]=4 3340 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,2,0,0,0,0|1,0,0]=3 3341 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 3342 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 3343 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 3344 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,2,0,0,0,0|1,0,0]=3 3345 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,2,0,0,0,0|1,0,0]=3 3346 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,2,0,0,0,0|1,0,0]=3 3347 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,2,0,0,0,0|1,0,0]=3 3348 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,2,0,0,0,0|2,0,0]=4 3349 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,2,0,0,0,0|2,0,0]=4 3350 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,2,0,0,0,0|1,0,0]=3 3351 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,2,0,0,0,0|1,0,0]=3 3352 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,2,0,0,0,0|1,0,0]=3 3353 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,2,0,0,0,0|2,0,0]=4 3354 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,2,0,0,0,0|1,0,0]=3 3355 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,2,0,0,0,0|2,0,0]=4 3356 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,2,0,0,0,0|2,0,0]=4 3357 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,2,0,0,0,0|2,0,0]=4 3358 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,2,0,0,0,0|2,0,0]=4 3359 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,2,0,0,0,0|1,1,0]=4 3360 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,2,0,0,0,0|1,1,0]=4 3361 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,2,0,0,0,0|1,1,0]=4 3362 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,2,0,0,0,0|1,1,0]=4 3363 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,2,0,0,0,0|1,1,0]=4 3364 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,2,0,0,0,0|1,0,0]=3 3365 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,2,0,0,0,0|1,0,0]=3 3366 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,2,0,0,0,0|1,0,0]=3 3367 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,2,0,0,0,0|1,0,0]=3 3368 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,2,0,0,0,0|1,0,0]=3 3369 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,2,0,0,0,0|1,0,0]=3 3370 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,2,0,0,0,0|1,0,0]=3 3371 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,2,0,0,0,0|1,0,0]=3 3372 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,2,0,0,0,0|1,0,1]=4 3373 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,2,0,0,0,0|2,0,0]=4 3374 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,2,0,0,0,0|1,0,1]=4 3375 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,2,0,0,0,0|1,0,1]=4 3376 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,2,0,0,0,0|1,0,1]=4 3377 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,2,0,0,0,0|1,0,1]=4 3378 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,2,0,0,0,0|1,0,1]=4 3379 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,2,0,0,0,0|0,1,1]=4 3380 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,2,0,0,0,0|0,1,1]=4 3381 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,2,0,0,0,0|0,1,1]=4 3382 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [0,2,0,0,0,0|2,0,0]=4 3383 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [0,2,0,0,0,0|2,0,0]=4 3384 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [0,2,0,0,0,0|2,0,0]=4 3385 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 3386 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 3387 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 3388 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,2,0,0,0,0|2,0,0]=4 3389 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,2,0,0,0,0|2,0,0]=4 3390 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,2,0,0,0,0|2,0,0]=4 3391 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,2,0,0,0,0|2,0,0]=4 3392 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,2,0,0,0,0|2,0,0]=4 3393 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,2,0,0,0,0|2,0,0]=4 3394 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,2,0,0,0,0|2,0,0]=4 3395 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,2,0,0,0,0|1,1,0]=4 3396 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,2,0,0,0,0|1,1,0]=4 3397 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,2,0,0,0,0|1,1,0]=4 3398 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,2,0,0,0,0|1,1,0]=4 3399 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,2,0,0,0,0|1,0,0]=3 3400 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,2,0,0,0,0|1,0,0]=3 3401 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,2,0,0,0,0|1,0,0]=3 3402 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,2,0,0,0,0|1,0,0]=3 3403 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,2,0,0,0,0|1,0,0]=3 3404 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,2,0,0,0,0|1,0,0]=3 3405 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,2,0,0,0,0|1,0,0]=3 3406 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,2,0,0,0,0|1,0,0]=3 3407 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,2,0,0,0,0|2,0,0]=4 3408 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,2,0,0,0,0|2,0,0]=4 3409 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,2,0,0,0,0|2,0,0]=4 3410 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,2,0,0,0,0|1,0,0]=3 3411 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,2,0,0,0,0|1,0,0]=3 3412 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,2,0,0,0,0|0,1,0]=3 3413 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,2,0,0,0,0|1,0,0]=3 3414 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,2,0,0,0,0|1,0,0]=3 3415 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,2,0,0,0,0|1,0,0]=3 3416 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,2,0,0,0,0|1,0,1]=4 3417 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,2,0,0,0,0|1,0,1]=4 3418 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,2,0,0,0,0|1,0,1]=4 3419 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,2,0,0,0,0|1,1,0]=4 3420 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,2,0,0,0,0|1,1,0]=4 3421 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,2,0,0,0,0|1,1,0]=4 3422 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,2,0,0,0,0|1,1,0]=4 3423 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,2,0,0,0,0|1,0,0]=3 3424 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,2,0,0,0,0|1,0,0]=3 3425 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,2,0,0,0,0|1,0,0]=3 3426 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,2,0,0,0,0|1,0,0]=3 3427 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,2,0,0,0,0|1,1,0]=4 3428 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,2,0,0,0,0|1,1,0]=4 3429 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,2,0,0,0,0|1,1,0]=4 3430 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,2,0,0,0,0|1,1,0]=4 3431 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,2,0,0,0,0|1,0,0]=3 3432 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,2,0,0,0,0|1,0,0]=3 3433 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,2,0,0,0,0|1,0,0]=3 3434 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,2,0,0,0,0|1,0,0]=3 3435 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,2,0,0,0,0|1,1,0]=4 3436 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,2,0,0,0,0|1,1,0]=4 3437 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,2,0,0,0,0|1,0,0]=3 3438 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,2,0,0,0,0|2,0,0]=4 3439 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,2,0,0,0,0|1,0,0]=3 3440 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 3441 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 3442 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,2,0,0,0,0|1,0,0]=3 3443 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 3444 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,2,0,0,0,0|2,0,0]=4 3445 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,2,0,0,0,0|0,1,0]=3 3446 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,2,0,0,0,0|0,1,0]=3 3447 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,2,0,0,0,0|1,0,0]=3 3448 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,2,0,0,0,0|1,0,0]=3 3449 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,2,0,0,0,0|1,0,0]=3 3450 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,2,0,0,0,0|1,0,0]=3 3451 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,2,0,0,0,0|1,0,0]=3 3452 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,2,0,0,0,0|1,0,0]=3 3453 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,2,0,0,0,0|2,0,0]=4 3454 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,2,0,0,0,0|1,0,0]=3 3455 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,2,0,0,0,0|1,0,0]=3 3456 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,2,0,0,0,0|1,0,0]=3 3457 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,2,0,0,0,0|1,0,0]=3 3458 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,2,0,0,0,0|1,0,0]=3 3459 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,2,0,0,0,0|1,0,0]=3 3460 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,2,0,0,0,0|0,1,0]=3 3461 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,2,0,0,0,0|0,1,0]=3 3462 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,2,0,0,0,0|1,0,0]=3 3463 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,2,0,0,0,0|1,0,0]=3 3464 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,2,0,0,0,0|1,0,1]=4 3465 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,2,0,0,0,0|1,0,1]=4 3466 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,2,0,0,0,0|1,0,0]=3 3467 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,2,0,0,0,0|1,0,0]=3 3468 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,2,0,0,0,0|1,0,0]=3 3469 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,2,0,0,0,0|1,0,0]=3 3470 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,2,0,0,0,0|1,0,0]=3 3471 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,2,0,0,0,0|1,0,0]=3 3472 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,2,0,0,0,0|1,0,0]=3 3473 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,2,0,0,0,0|1,0,0]=3 3474 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,2,0,0,0,0|1,0,0]=3 3475 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,2,0,0,0,0|1,0,0]=3 3476 B8R0.3 CNC(=O)C(C)SCF 62a_100000209862_100015361967 [0,2,0,0,0,0|2,0,0]=4 3477 B8R0.3 CNC(=O)C(C)SCF 62a_100015361967_100000731044 [0,2,0,0,0,0|2,0,0]=4 3478 B8R0.3 CNC(=O)C(F)SCF 62a_100009813575_100015361967 [0,2,0,0,0,0|2,0,0]=4 3479 B8R0.3 CNC(=O)C(F)SCF 62a_100015361967_100009813575 [0,2,0,0,0,0|2,0,0]=4 3480 B8R0.3 CNC(=O)N(C)CCO 2708a_100102657272_100000210263 [0,2,0,0,0,0|2,0,0]=4 3481 B8R0.3 CNC(=O)N(C)CCO 273464a_100102657272_100000210263 [0,2,0,0,0,0|2,0,0]=4 3482 B8R0.3 CNC(=O)[C@@H](C)NCF 34a_100000684985_100015361967 [0,2,0,0,0,0|2,0,0]=4 3483 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,2,0,0,0,0|0,1,1]=4 3484 B8R0.3 CNCC(=O)N(C)OC 2230a_100015207273_200000210301 [0,2,0,0,0,0|1,1,0]=4 3485 B8R0.3 CNCC(=O)N(C)OC 2230a_106832991635_100000764215 [0,2,0,0,0,0|1,1,0]=4 3486 B8R0.3 CNCC(=O)N(C)OC 7a_106832991635_100000764215 [0,2,0,0,0,0|1,1,0]=4 3487 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,2,0,0,0,0|1,0,0]=3 3488 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,2,0,0,0,0|1,0,0]=3 3489 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,2,0,0,0,0|0,1,0]=3 3490 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [0,2,0,0,0,0|2,0,0]=4 3491 B8R0.3 CNNC(=O)C(C)SC 22a_100016993582_100000149566 [0,2,0,0,0,0|2,0,0]=4 3492 B8R0.3 CNNC(=O)C(O)CO 22a_100016993582_100011215603 [0,2,0,0,0,0|2,0,0]=4 3493 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,2,0,0,0,0|0,1,1]=4 3494 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,2,0,0,0,0|0,1,1]=4 3495 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,2,0,0,0,0|0,1,1]=4 3496 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,2,0,0,0,0|0,1,1]=4 3497 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,2,0,0,0,0|0,1,0]=3 3498 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,2,0,0,0,0|0,1,0]=3 3499 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,2,0,0,0,0|0,1,0]=3 3500 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,2,0,0,0,0|0,1,0]=3 3501 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,2,0,0,0,0|0,1,0]=3 3502 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,2,0,0,0,0|0,1,0]=3 3503 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,2,0,0,0,0|1,1,0]=4 3504 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,2,0,0,0,0|1,1,0]=4 3505 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,2,0,0,0,0|1,1,0]=4 3506 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,2,0,0,0,0|0,1,0]=3 3507 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|0,1,0]=3 3508 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,2,0,0,0,0|1,1,0]=4 3509 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,2,0,0,0,0|1,1,0]=4 3510 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,2,0,0,0,0|0,1,1]=4 3511 B8R0.3 COCC(=O)C(C)C#N 1458a_100000210968_100000703298 [0,2,0,0,0,0|2,0,0]=4 3512 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,2,0,0,0,0|2,0,0]=4 3513 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,2,0,0,0,0|2,0,0]=4 3514 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,2,0,0,0,0|0,1,0]=3 3515 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,2,0,0,0,0|0,1,0]=3 3516 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,2,0,0,0,0|0,1,0]=3 3517 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,2,0,0,0,0|0,1,0]=3 3518 B8R0.3 COCC(N)C(=O)NN 34a_100016989258_200000210301 [0,2,0,0,0,0|2,0,0]=4 3519 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|0,1,0]=3 3520 B8R0.3 CON(C)C(=O)CN[13CH3] 2230a_100015207273_200025704644 [0,2,0,0,0,0|1,1,0]=4 3521 B8R0.3 CON(C)C(=O)CSC 62a_100000764215_200000210301 [0,2,0,0,0,0|1,1,0]=4 3522 B8R0.3 CON(C)C(=O)CSC 62a_200000210301_100000764215 [0,2,0,0,0,0|1,1,0]=4 3523 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_100000764215_200025704644 [0,2,0,0,0,0|1,1,0]=4 3524 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_200025704644_100000764215 [0,2,0,0,0,0|1,1,0]=4 3525 B8R0.3 CSC(C)C(=O)CC#N 1458a_100000149566_100011214920 [0,2,0,0,0,0|1,0,1]=4 3526 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [0,2,0,0,0,0|1,0,0]=3 3527 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,2,0,0,0,0|1,0,0]=3 3528 B8R0.3 CSCC(=O)C(C)C#N 1458a_100000184570_100000703298 [0,2,0,0,0,0|1,0,1]=4 3529 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,2,0,0,0,0|2,0,0]=4 3530 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,2,0,0,0,0|2,0,0]=4 3531 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,2,0,0,0,0|2,0,0]=4 3532 B8R0.3 [13CH3]OCC(N)C(=O)NN 34a_100016989258_200025704644 [0,2,0,0,0,0|2,0,0]=4 3533 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,2,0,0,0,0|1,0,1]=4 3534 B8R0.6 C#CC(=O)CC#CCC 1458a_100000211873_100009813939 [0,2,0,0,0,0|1,0,1]=4 3535 B8R0.6 C#CC(=O)CCCC#N 1458a_100000211873_100000211468 [0,2,0,0,0,0|1,0,1]=4 3536 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [0,2,0,0,0,0|1,0,1]=4 3537 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,2,0,0,0,0|1,0,1]=4 3538 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,2,0,0,0,0|1,0,1]=4 3539 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,2,0,0,0,0|1,0,1]=4 3540 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,2,0,0,0,0|1,0,1]=4 3541 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,2,0,0,0,0|1,0,1]=4 3542 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,2,0,0,0,0|1,0,1]=4 3543 B8R0.6 C#CCCCC(=O)C#C 1458a_100000211873_100000731252 [0,2,0,0,0,0|1,0,1]=4 3544 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [0,2,0,0,0,0|1,0,1]=4 3545 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,2,0,0,0,0|1,0,0]=3 3546 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,2,0,0,0,0|1,0,0]=3 3547 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,2,0,0,0,0|2,0,0]=4 3548 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,2,0,0,0,0|2,0,0]=4 3549 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,2,0,0,0,0|1,0,0]=3 3550 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,2,0,0,0,0|1,0,0]=3 3551 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,2,0,0,0,0|1,0,0]=3 3552 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,2,0,0,0,0|1,0,0]=3 3553 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,2,0,0,0,0|1,0,1]=4 3554 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,2,0,0,0,0|1,0,1]=4 3555 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,2,0,0,0,0|1,0,1]=4 3556 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,2,0,0,0,0|1,0,1]=4 3557 B8R0.6 C#CCCNC(=O)NC 2708a_100000755551_106832991635 [0,2,0,0,0,0|1,0,1]=4 3558 B8R0.6 C#CCCNC(=O)NC 2708a_100102657272_100000755551 [0,2,0,0,0,0|1,0,1]=4 3559 B8R0.6 C#CCCNC(=O)NC 273464a_100000755551_100102657272 [0,2,0,0,0,0|1,0,1]=4 3560 B8R0.6 C#CCCNC(=O)NC 273464a_100102657272_100000755551 [0,2,0,0,0,0|1,0,1]=4 3561 B8R0.6 C#CCCNC(=O)NC 512a_100000755551_100102657272 [0,2,0,0,0,0|1,0,1]=4 3562 B8R0.6 C#CCCNC(=O)NC 512a_106832991638_100000755551 [0,2,0,0,0,0|1,0,1]=4 3563 B8R0.6 C#CCNCC(=O)NC 2230a_100000693194_100000038162 [0,2,0,0,0,0|1,0,1]=4 3564 B8R0.6 C#CCNCC(=O)NC 34a_100000212058_100000183359 [0,2,0,0,0,0|1,0,1]=4 3565 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [0,2,0,0,0,0|0,1,1]=4 3566 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [0,2,0,0,0,0|1,0,1]=4 3567 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [0,2,0,0,0,0|1,0,1]=4 3568 B8R0.6 C#CCOCC(=O)NC 11a_106832991635_100011251226 [0,2,0,0,0,0|1,0,1]=4 3569 B8R0.6 C#CCOCC(=O)NC 1626a_100102657272_100011251226 [0,2,0,0,0,0|1,0,1]=4 3570 B8R0.6 C#CCOCC(=O)NC 34a_100000210247_100000183359 [0,2,0,0,0,0|1,0,1]=4 3571 B8R0.6 C#CCOCC(=O)NC 34a_100000750040_100000184674 [0,2,0,0,0,0|1,0,1]=4 3572 B8R0.6 C#CCOCC(=O)NC 527a_100102657272_100011251226 [0,2,0,0,0,0|1,0,1]=4 3573 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [0,2,0,0,0,0|0,1,1]=4 3574 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [0,2,0,0,0,0|1,0,1]=4 3575 B8R0.6 C#CCSCC(=O)NC 62a_100000038162_100000183359 [0,2,0,0,0,0|1,0,1]=4 3576 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [0,2,0,0,0,0|0,1,1]=4 3577 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,2,0,0,0,0|1,0,1]=4 3578 B8R0.6 C=CC(=O)CC#CCC 1458a_100000185746_100009813939 [0,2,0,0,0,0|1,0,1]=4 3579 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [0,2,0,0,0,0|1,0,1]=4 3580 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,2,0,0,0,0|1,0,1]=4 3581 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,2,0,0,0,0|1,0,1]=4 3582 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,2,0,0,0,0|1,0,1]=4 3583 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,2,0,0,0,0|1,0,1]=4 3584 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,2,0,0,0,0|1,0,1]=4 3585 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,2,0,0,0,0|1,0,1]=4 3586 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,2,0,0,0,0|1,0,1]=4 3587 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,2,0,0,0,0|1,0,1]=4 3588 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [0,2,0,0,0,0|1,0,1]=4 3589 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [0,2,0,0,0,0|1,0,1]=4 3590 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,2,0,0,0,0|1,0,1]=4 3591 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [0,2,0,0,0,0|1,0,1]=4 3592 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [0,2,0,0,0,0|1,0,1]=4 3593 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [0,2,0,0,0,0|1,0,1]=4 3594 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [0,2,0,0,0,0|1,0,1]=4 3595 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [0,2,0,0,0,0|1,0,1]=4 3596 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [0,2,0,0,0,0|1,0,1]=4 3597 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [0,2,0,0,0,0|1,0,1]=4 3598 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [0,2,0,0,0,0|1,0,1]=4 3599 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [0,2,0,0,0,0|1,0,1]=4 3600 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,2,0,0,0,0|1,0,1]=4 3601 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,2,0,0,0,0|1,0,1]=4 3602 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,2,0,0,0,0|1,0,1]=4 3603 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,2,0,0,0,0|1,0,1]=4 3604 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,2,0,0,0,0|1,0,1]=4 3605 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,2,0,0,0,0|1,0,1]=4 3606 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,2,0,0,0,0|1,0,1]=4 3607 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,2,0,0,0,0|1,0,1]=4 3608 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,2,0,0,0,0|1,0,1]=4 3609 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,2,0,0,0,0|1,0,0]=3 3610 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,2,0,0,0,0|1,0,0]=3 3611 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,2,0,0,0,0|2,0,0]=4 3612 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,2,0,0,0,0|2,0,0]=4 3613 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,2,0,0,0,0|1,0,0]=3 3614 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,2,0,0,0,0|1,0,0]=3 3615 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,2,0,0,0,0|1,0,0]=3 3616 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,2,0,0,0,0|1,0,0]=3 3617 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,2,0,0,0,0|1,0,1]=4 3618 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,2,0,0,0,0|1,0,1]=4 3619 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,2,0,0,0,0|1,0,1]=4 3620 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,2,0,0,0,0|1,0,1]=4 3621 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [0,2,0,0,0,0|1,0,1]=4 3622 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [0,2,0,0,0,0|1,0,1]=4 3623 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [0,2,0,0,0,0|1,0,1]=4 3624 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [0,2,0,0,0,0|1,0,1]=4 3625 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [0,2,0,0,0,0|1,0,1]=4 3626 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [0,2,0,0,0,0|1,0,1]=4 3627 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [0,2,0,0,0,0|1,0,1]=4 3628 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [0,2,0,0,0,0|1,0,1]=4 3629 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,2,0,0,0,0|0,1,1]=4 3630 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,2,0,0,0,0|1,0,1]=4 3631 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [0,2,0,0,0,0|1,0,1]=4 3632 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [0,2,0,0,0,0|1,0,1]=4 3633 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,2,0,0,0,0|0,1,1]=4 3634 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,2,0,0,0,0|1,0,1]=4 3635 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,2,0,0,0,0|1,0,1]=4 3636 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,2,0,0,0,0|1,0,1]=4 3637 B8R0.6 C=CCSCC(=O)NC 11a_106832991635_100000230395 [0,2,0,0,0,0|1,0,1]=4 3638 B8R0.6 C=CCSCC(=O)NC 1626a_100102657272_100000230395 [0,2,0,0,0,0|1,0,1]=4 3639 B8R0.6 C=CCSCC(=O)NC 240690a_100102657272_100000230395 [0,2,0,0,0,0|1,0,1]=4 3640 B8R0.6 C=CCSCC(=O)NC 527a_100102657272_100000230395 [0,2,0,0,0,0|1,0,1]=4 3641 B8R0.6 C=CCSCC(=O)NC 62a_100000183359_100000210623 [0,2,0,0,0,0|1,0,1]=4 3642 B8R0.6 C=CCSCC(=O)NC 62a_100000210623_100000183359 [0,2,0,0,0,0|1,0,1]=4 3643 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,2,0,0,0,0|0,1,1]=4 3644 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,2,0,0,0,0|0,1,1]=4 3645 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,2,0,0,0,0|1,0,1]=4 3646 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [0,2,0,0,0,0|1,0,1]=4 3647 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [0,2,0,0,0,0|1,0,1]=4 3648 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [0,2,0,0,0,0|1,0,1]=4 3649 B8R0.6 CC#CCNC(=O)NC 2708a_100102657272_100000685387 [0,2,0,0,0,0|1,0,1]=4 3650 B8R0.6 CC#CCNC(=O)NC 273464a_100000685387_100102657272 [0,2,0,0,0,0|1,0,1]=4 3651 B8R0.6 CC#CCNC(=O)NC 273464a_100102657272_100000685387 [0,2,0,0,0,0|1,0,1]=4 3652 B8R0.6 CC#CCNC(=O)NC 512a_100000685387_100102657272 [0,2,0,0,0,0|1,0,1]=4 3653 B8R0.6 CC#CCNC(=O)NC 512a_106832991638_100000685387 [0,2,0,0,0,0|1,0,1]=4 3654 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,2,0,0,0,0|1,0,0]=3 3655 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,2,0,0,0,0|2,0,0]=4 3656 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,2,0,0,0,0|1,0,0]=3 3657 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,2,0,0,0,0|1,0,0]=3 3658 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,2,0,0,0,0|1,0,0]=3 3659 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,2,0,0,0,0|1,0,0]=3 3660 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,2,0,0,0,0|1,0,0]=3 3661 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,2,0,0,0,0|2,0,0]=4 3662 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,2,0,0,0,0|1,0,0]=3 3663 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,2,0,0,0,0|2,0,0]=4 3664 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,2,0,0,0,0|1,0,1]=4 3665 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [0,2,0,0,0,0|1,0,1]=4 3666 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,2,0,0,0,0|1,0,0]=3 3667 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,2,0,0,0,0|1,0,0]=3 3668 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,2,0,0,0,0|1,0,0]=3 3669 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,2,0,0,0,0|1,0,0]=3 3670 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,2,0,0,0,0|1,0,0]=3 3671 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,2,0,0,0,0|1,0,0]=3 3672 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,2,0,0,0,0|1,0,0]=3 3673 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,2,0,0,0,0|1,0,0]=3 3674 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [0,2,0,0,0,0|2,0,0]=4 3675 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,2,0,0,0,0|1,0,1]=4 3676 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,2,0,0,0,0|1,0,0]=3 3677 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,2,0,0,0,0|1,0,0]=3 3678 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,2,0,0,0,0|1,0,0]=3 3679 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,2,0,0,0,0|1,0,0]=3 3680 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [0,2,0,0,0,0|1,0,1]=4 3681 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [0,2,0,0,0,0|1,0,1]=4 3682 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [0,2,0,0,0,0|1,0,1]=4 3683 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,2,0,0,0,0|1,0,1]=4 3684 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,2,0,0,0,0|1,0,1]=4 3685 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,2,0,0,0,0|1,0,0]=3 3686 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,2,0,0,0,0|1,0,0]=3 3687 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,2,0,0,0,0|1,0,0]=3 3688 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,2,0,0,0,0|1,0,0]=3 3689 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,2,0,0,0,0|1,0,0]=3 3690 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,2,0,0,0,0|1,0,0]=3 3691 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,2,0,0,0,0|1,0,0]=3 3692 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,2,0,0,0,0|1,0,0]=3 3693 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,2,0,0,0,0|1,0,1]=4 3694 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,2,0,0,0,0|1,0,1]=4 3695 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,2,0,0,0,0|1,0,1]=4 3696 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,2,0,0,0,0|1,0,1]=4 3697 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,2,0,0,0,0|1,0,0]=3 3698 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,2,0,0,0,0|1,0,0]=3 3699 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,2,0,0,0,0|1,0,0]=3 3700 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,2,0,0,0,0|1,0,0]=3 3701 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,2,0,0,0,0|1,0,0]=3 3702 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,2,0,0,0,0|1,0,0]=3 3703 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,2,0,0,0,0|1,0,0]=3 3704 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,2,0,0,0,0|1,0,0]=3 3705 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,2,0,0,0,0|1,0,0]=3 3706 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,2,0,0,0,0|1,0,0]=3 3707 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,2,0,0,0,0|1,0,0]=3 3708 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,2,0,0,0,0|1,0,0]=3 3709 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,2,0,0,0,0|1,0,0]=3 3710 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,2,0,0,0,0|1,0,0]=3 3711 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,2,0,0,0,0|1,0,0]=3 3712 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,2,0,0,0,0|1,0,0]=3 3713 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,2,0,0,0,0|1,0,0]=3 3714 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,2,0,0,0,0|1,0,0]=3 3715 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,2,0,0,0,0|1,0,0]=3 3716 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,2,0,0,0,0|2,0,0]=4 3717 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,2,0,0,0,0|1,0,0]=3 3718 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,2,0,0,0,0|1,0,0]=3 3719 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,2,0,0,0,0|1,0,1]=4 3720 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,2,0,0,0,0|1,0,0]=3 3721 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,2,0,0,0,0|2,0,0]=4 3722 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,2,0,0,0,0|1,0,0]=3 3723 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,2,0,0,0,0|1,0,0]=3 3724 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,2,0,0,0,0|2,0,0]=4 3725 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,2,0,0,0,0|1,0,0]=3 3726 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,2,0,0,0,0|1,0,0]=3 3727 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,2,0,0,0,0|1,0,0]=3 3728 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,2,0,0,0,0|1,0,0]=3 3729 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,2,0,0,0,0|1,0,0]=3 3730 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,2,0,0,0,0|2,0,0]=4 3731 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,2,0,0,0,0|2,0,0]=4 3732 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,2,0,0,0,0|1,0,0]=3 3733 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,2,0,0,0,0|1,0,0]=3 3734 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,2,0,0,0,0|1,0,0]=3 3735 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,2,0,0,0,0|1,0,0]=3 3736 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,2,0,0,0,0|1,0,1]=4 3737 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,2,0,0,0,0|1,0,1]=4 3738 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,2,0,0,0,0|1,0,1]=4 3739 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,2,0,0,0,0|1,0,1]=4 3740 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,2,0,0,0,0|1,0,0]=3 3741 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,2,0,0,0,0|1,0,0]=3 3742 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,2,0,0,0,0|1,0,0]=3 3743 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,2,0,0,0,0|1,0,0]=3 3744 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,2,0,0,0,0|2,0,0]=4 3745 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,2,0,0,0,0|2,0,0]=4 3746 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,2,0,0,0,0|1,0,0]=3 3747 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,2,0,0,0,0|1,0,0]=3 3748 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,2,0,0,0,0|1,0,0]=3 3749 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,2,0,0,0,0|1,0,0]=3 3750 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,2,0,0,0,0|1,0,0]=3 3751 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,2,0,0,0,0|1,0,0]=3 3752 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,2,0,0,0,0|1,0,0]=3 3753 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,2,0,0,0,0|1,0,0]=3 3754 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,2,0,0,0,0|2,0,0]=4 3755 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,2,0,0,0,0|1,0,0]=3 3756 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,2,0,0,0,0|1,0,0]=3 3757 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,2,0,0,0,0|1,0,0]=3 3758 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,2,0,0,0,0|1,0,0]=3 3759 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,2,0,0,0,0|1,0,0]=3 3760 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,2,0,0,0,0|2,0,0]=4 3761 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,2,0,0,0,0|1,0,0]=3 3762 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,2,0,0,0,0|1,0,0]=3 3763 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,2,0,0,0,0|1,0,0]=3 3764 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,2,0,0,0,0|1,0,0]=3 3765 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,2,0,0,0,0|1,0,0]=3 3766 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,2,0,0,0,0|1,0,0]=3 3767 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,2,0,0,0,0|0,1,0]=3 3768 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,2,0,0,0,0|1,0,0]=3 3769 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,2,0,0,0,0|1,0,0]=3 3770 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,2,0,0,0,0|1,0,0]=3 3771 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,2,0,0,0,0|2,0,0]=4 3772 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,2,0,0,0,0|1,0,0]=3 3773 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,2,0,0,0,0|1,0,0]=3 3774 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,2,0,0,0,0|1,0,0]=3 3775 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,2,0,0,0,0|1,0,0]=3 3776 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,2,0,0,0,0|1,0,0]=3 3777 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,2,0,0,0,0|1,0,0]=3 3778 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,2,0,0,0,0|0,1,0]=3 3779 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,2,0,0,0,0|0,1,0]=3 3780 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,2,0,0,0,0|1,0,0]=3 3781 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,2,0,0,0,0|1,0,0]=3 3782 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,2,0,0,0,0|1,0,0]=3 3783 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,2,0,0,0,0|0,1,0]=3 3784 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,2,0,0,0,0|0,1,1]=4 3785 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,2,0,0,0,0|1,0,1]=4 3786 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,2,0,0,0,0|1,0,1]=4 3787 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,2,0,0,0,0|1,0,1]=4 3788 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,2,0,0,0,0|1,0,1]=4 3789 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,2,0,0,0,0|1,0,0]=3 3790 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,2,0,0,0,0|1,0,0]=3 3791 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,2,0,0,0,0|2,0,0]=4 3792 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,2,0,0,0,0|2,0,0]=4 3793 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,2,0,0,0,0|1,0,0]=3 3794 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,2,0,0,0,0|1,0,0]=3 3795 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,2,0,0,0,0|1,0,0]=3 3796 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,2,0,0,0,0|1,0,0]=3 3797 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,2,0,0,0,0|1,0,0]=3 3798 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,2,0,0,0,0|1,0,0]=3 3799 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,2,0,0,0,0|0,1,0]=3 3800 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,2,0,0,0,0|1,0,0]=3 3801 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,2,0,0,0,0|1,0,0]=3 3802 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,2,0,0,0,0|2,0,0]=4 3803 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,2,0,0,0,0|2,0,0]=4 3804 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,2,0,0,0,0|1,0,0]=3 3805 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,2,0,0,0,0|1,0,0]=3 3806 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,2,0,0,0,0|1,0,0]=3 3807 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,2,0,0,0,0|1,0,0]=3 3808 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,2,0,0,0,0|1,0,0]=3 3809 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,2,0,0,0,0|1,0,0]=3 3810 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,2,0,0,0,0|0,1,0]=3 3811 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,2,0,0,0,0|0,1,0]=3 3812 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,2,0,0,0,0|0,1,0]=3 3813 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,2,0,0,0,0|1,0,1]=4 3814 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,2,0,0,0,0|1,0,1]=4 3815 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,2,0,0,0,0|1,0,1]=4 3816 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,2,0,0,0,0|1,0,0]=3 3817 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,2,0,0,0,0|1,0,0]=3 3818 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,2,0,0,0,0|1,0,0]=3 3819 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,2,0,0,0,0|1,0,0]=3 3820 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,2,0,0,0,0|1,0,0]=3 3821 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,2,0,0,0,0|1,0,0]=3 3822 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,2,0,0,0,0|1,0,0]=3 3823 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,2,0,0,0,0|1,0,0]=3 3824 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,2,0,0,0,0|1,0,0]=3 3825 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,2,0,0,0,0|1,0,0]=3 3826 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,2,0,0,0,0|1,0,0]=3 3827 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,2,0,0,0,0|1,0,0]=3 3828 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,2,0,0,0,0|1,0,0]=3 3829 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,2,0,0,0,0|1,0,0]=3 3830 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,2,0,0,0,0|1,0,0]=3 3831 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,2,0,0,0,0|1,0,0]=3 3832 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,2,0,0,0,0|1,0,0]=3 3833 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,2,0,0,0,0|1,0,0]=3 3834 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,2,0,0,0,0|1,0,0]=3 3835 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,2,0,0,0,0|1,0,0]=3 3836 B8R0.6 CNC(=O)CCN=[N+]=[N-] 11a_106832991635_100000688302 [0,2,0,0,0,0|2,0,0]=4 3837 B8R0.6 CNC(=O)CCN=[N+]=[N-] 240690a_100102657272_100000688302 [0,2,0,0,0,0|2,0,0]=4 3838 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,2,0,0,0,0|1,0,0]=3 3839 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,2,0,0,0,0|1,0,0]=3 3840 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,2,0,0,0,0|1,0,0]=3 3841 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,2,0,0,0,0|1,0,0]=3 3842 B8R0.6 CNC(=O)CNCC#N 2230a_100000693194_100011215382 [0,2,0,0,0,0|1,0,1]=4 3843 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [0,2,0,0,0,0|1,0,1]=4 3844 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,2,0,0,0,0|1,0,0]=3 3845 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,2,0,0,0,0|1,0,0]=3 3846 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,2,0,0,0,0|1,0,0]=3 3847 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,2,0,0,0,0|1,0,0]=3 3848 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,2,0,0,0,0|1,0,0]=3 3849 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,2,0,0,0,0|1,0,0]=3 3850 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,2,0,0,0,0|1,0,0]=3 3851 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [0,2,0,0,0,0|1,0,1]=4 3852 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,2,0,0,0,0|1,0,0]=3 3853 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,2,0,0,0,0|1,0,0]=3 3854 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,2,0,0,0,0|1,0,0]=3 3855 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,2,0,0,0,0|1,0,0]=3 3856 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,2,0,0,0,0|1,0,0]=3 3857 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,2,0,0,0,0|1,0,0]=3 3858 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,2,0,0,0,0|1,0,0]=3 3859 B8R0.6 CNC(=O)CSCC#N 11a_106832991635_100000150266 [0,2,0,0,0,0|1,0,1]=4 3860 B8R0.6 CNC(=O)CSCC#N 1626a_100102657272_100000150266 [0,2,0,0,0,0|1,0,1]=4 3861 B8R0.6 CNC(=O)CSCC#N 240690a_100102657272_100000150266 [0,2,0,0,0,0|1,0,1]=4 3862 B8R0.6 CNC(=O)CSCC#N 62a_100000183359_100011215382 [0,2,0,0,0,0|1,0,1]=4 3863 B8R0.6 CNC(=O)CSCC#N 62a_100011215382_100000183359 [0,2,0,0,0,0|1,0,1]=4 3864 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [0,2,0,0,0,0|1,0,1]=4 3865 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [0,2,0,0,0,0|1,0,1]=4 3866 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,2,0,0,0,0|1,0,0]=3 3867 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,2,0,0,0,0|1,0,0]=3 3868 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,2,0,0,0,0|1,0,0]=3 3869 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,2,0,0,0,0|1,0,0]=3 3870 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,2,0,0,0,0|1,0,0]=3 3871 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,2,0,0,0,0|1,0,0]=3 3872 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,2,0,0,0,0|1,0,0]=3 3873 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,2,0,0,0,0|1,0,0]=3 3874 B8R0.6 CNC(=O)NCCC#N 2708a_100000720768_106832991635 [0,2,0,0,0,0|1,0,1]=4 3875 B8R0.6 CNC(=O)NCCC#N 2708a_100102657272_100000720768 [0,2,0,0,0,0|1,0,1]=4 3876 B8R0.6 CNC(=O)NCCC#N 273464a_100000720768_100102657272 [0,2,0,0,0,0|1,0,1]=4 3877 B8R0.6 CNC(=O)NCCC#N 273464a_100102657272_100000720768 [0,2,0,0,0,0|1,0,1]=4 3878 B8R0.6 CNC(=O)NCCC#N 512a_100000720768_100102657272 [0,2,0,0,0,0|1,0,1]=4 3879 B8R0.6 CNC(=O)NCCC#N 512a_106832991638_100000720768 [0,2,0,0,0,0|1,0,1]=4 3880 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,2,0,0,0,0|1,0,0]=3 3881 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,2,0,0,0,0|1,0,0]=3 3882 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,2,0,0,0,0|1,0,0]=3 3883 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,2,0,0,0,0|1,0,0]=3 3884 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,2,0,0,0,0|1,0,0]=3 3885 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,2,0,0,0,0|1,0,0]=3 3886 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,2,0,0,0,0|1,0,0]=3 3887 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,2,0,0,0,0|1,0,0]=3 3888 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,2,0,0,0,0|1,0,0]=3 3889 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,2,0,0,0,0|1,0,0]=3 3890 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,2,0,0,0,0|1,0,0]=3 3891 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,2,0,0,0,0|1,0,0]=3 3892 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,2,0,0,0,0|1,0,0]=3 3893 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,2,0,0,0,0|1,0,0]=3 3894 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,2,0,0,0,0|1,0,0]=3 3895 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,2,0,0,0,0|1,0,0]=3 3896 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,2,0,0,0,0|1,0,0]=3 3897 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,2,0,0,0,0|1,0,0]=3 3898 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,2,0,0,0,0|1,0,0]=3 3899 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,2,0,0,0,0|1,0,0]=3 3900 B8R0.6 CNC(=O)NNCCO 273464a_100102657272_100000210001 [0,2,0,0,0,0|2,0,0]=4 3901 B8R0.6 CNC(=O)NNCCO 512a_106832991638_100000210001 [0,2,0,0,0,0|2,0,0]=4 3902 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,2,0,0,0,0|1,0,0]=3 3903 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,2,0,0,0,0|1,0,0]=3 3904 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,2,0,0,0,0|1,0,0]=3 3905 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,2,0,0,0,0|1,0,0]=3 3906 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,2,0,0,0,0|1,0,0]=3 3907 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,2,0,0,0,0|0,1,1]=4 3908 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,2,0,0,0,0|0,1,1]=4 3909 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,2,0,0,0,0|0,1,1]=4 3910 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,2,0,0,0,0|1,0,0]=3 3911 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,2,0,0,0,0|1,0,0]=3 3912 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,2,0,0,0,0|1,0,0]=3 3913 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,2,0,0,0,0|1,0,0]=3 3914 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,2,0,0,0,0|1,0,0]=3 3915 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,2,0,0,0,0|0,1,0]=3 3916 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,2,0,0,0,0|0,1,0]=3 3917 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,2,0,0,0,0|0,1,0]=3 3918 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,2,0,0,0,0|1,0,0]=3 3919 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,2,0,0,0,0|1,0,0]=3 3920 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,2,0,0,0,0|1,0,0]=3 3921 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,2,0,0,0,0|0,1,1]=4 3922 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,2,0,0,0,0|0,1,1]=4 3923 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,2,0,0,0,0|0,1,1]=4 3924 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,2,0,0,0,0|0,1,1]=4 3925 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,2,0,0,0,0|0,1,0]=3 3926 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,2,0,0,0,0|0,1,0]=3 3927 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,2,0,0,0,0|0,1,0]=3 3928 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,2,0,0,0,0|0,1,0]=3 3929 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,2,0,0,0,0|0,1,0]=3 3930 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,2,0,0,0,0|0,1,0]=3 3931 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,2,0,0,0,0|0,1,0]=3 3932 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,2,0,0,0,0|0,1,0]=3 3933 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,2,0,0,0,0|0,1,0]=3 3934 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,2,0,0,0,0|0,1,0]=3 3935 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,2,0,0,0,0|0,1,0]=3 3936 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [0,2,0,0,0,0|0,1,1]=4 3937 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [0,2,0,0,0,0|0,1,1]=4 3938 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,2,0,0,0,0|0,1,1]=4 3939 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,2,0,0,0,0|0,1,1]=4 3940 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,2,0,0,0,0|0,1,0]=3 3941 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,2,0,0,0,0|0,1,0]=3 3942 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,2,0,0,0,0|0,1,0]=3 3943 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,2,0,0,0,0|0,1,0]=3 3944 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,2,0,0,0,0|0,1,0]=3 3945 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,2,0,0,0,0|0,1,0]=3 3946 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,2,0,0,0,0|0,1,0]=3 3947 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,2,0,0,0,0|0,1,0]=3 3948 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,2,0,0,0,0|1,1,0]=4 3949 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,2,0,0,0,0|0,1,1]=4 3950 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,2,0,0,0,0|2,0,0]=4 3951 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,2,0,0,0,0|2,0,0]=4 3952 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,2,0,0,0,0|2,0,0]=4 3953 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,2,0,0,0,0|0,1,0]=3 3954 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,2,0,0,0,0|2,0,0]=4 3955 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,2,0,0,0,0|2,0,0]=4 3956 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,2,0,0,0,0|0,1,0]=3 3957 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,2,0,0,0,0|0,1,0]=3 3958 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,2,0,0,0,0|0,1,0]=3 3959 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,2,0,0,0,0|0,1,0]=3 3960 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,2,0,0,0,0|2,0,0]=4 3961 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,2,0,0,0,0|2,0,0]=4 3962 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,2,0,0,0,0|2,0,0]=4 3963 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,2,0,0,0,0|2,0,0]=4 3964 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,2,0,0,0,0|2,0,0]=4 3965 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,2,0,0,0,0|2,0,0]=4 3966 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,2,0,0,0,0|2,0,0]=4 3967 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,2,0,0,0,0|2,0,0]=4 3968 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,2,0,0,0,0|2,0,0]=4 3969 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,2,0,0,0,0|2,0,0]=4 3970 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,2,0,0,0,0|2,0,0]=4 3971 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,2,0,0,0,0|2,0,0]=4 3972 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,2,0,0,0,0|2,0,0]=4 3973 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,2,0,0,0,0|2,0,0]=4 3974 B8R0.8 C#CCCC(=O)C(=C)C 1458a_100000185857_100000753159 [0,2,0,0,0,0|1,0,1]=4 3975 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [0,2,0,0,0,0|1,0,1]=4 3976 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [0,2,0,0,0,0|1,0,1]=4 3977 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [0,2,0,0,0,0|1,0,1]=4 3978 B8R0.8 C#CCCC(=O)N(C)C 11a_100102631434_100000692101 [0,2,0,0,0,0|1,0,1]=4 3979 B8R0.8 C#CCCC(=O)N(C)C 1626a_100102631434_100000692101 [0,2,0,0,0,0|1,0,1]=4 3980 B8R0.8 C#CCCC(=O)N(C)C 240690a_100102631434_100000692101 [0,2,0,0,0,0|1,0,1]=4 3981 B8R0.8 C#CCCC(=O)N(C)C 527a_100102631434_100000692101 [0,2,0,0,0,0|1,0,1]=4 3982 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,2,0,0,0,0|1,0,1]=4 3983 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,2,0,0,0,0|1,0,1]=4 3984 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,2,0,0,0,0|1,0,1]=4 3985 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [0,2,0,0,0,0|1,0,1]=4 3986 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,2,0,0,0,0|1,0,1]=4 3987 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,2,0,0,0,0|1,0,1]=4 3988 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,2,0,0,0,0|1,0,1]=4 3989 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,2,0,0,0,0|1,0,1]=4 3990 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [0,2,0,0,0,0|1,0,1]=4 3991 B8R0.8 C=C(C)C(=O)CC#CC 1458a_100000185857_100000748600 [0,2,0,0,0,0|1,0,1]=4 3992 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [0,2,0,0,0,0|1,0,1]=4 3993 B8R0.8 C=C(C)C(=O)CCC#N 1458a_100000185857_100011215226 [0,2,0,0,0,0|1,0,1]=4 3994 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,2,0,0,0,0|1,0,0]=3 3995 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,2,0,0,0,0|1,0,0]=3 3996 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,2,0,0,0,0|1,0,0]=3 3997 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,2,0,0,0,0|1,0,0]=3 3998 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,2,0,0,0,0|1,0,0]=3 3999 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,2,0,0,0,0|1,0,0]=3 4000 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,2,0,0,0,0|1,0,0]=3 4001 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [0,2,0,0,0,0|2,0,0]=4 4002 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [0,2,0,0,0,0|2,0,0]=4 4003 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [0,2,0,0,0,0|2,0,0]=4 4004 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,2,0,0,0,0|1,0,1]=4 4005 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,2,0,0,0,0|1,0,1]=4 4006 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,2,0,0,0,0|1,0,1]=4 4007 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,2,0,0,0,0|1,0,1]=4 4008 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [0,2,0,0,0,0|1,0,1]=4 4009 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,2,0,0,0,0|1,0,1]=4 4010 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,2,0,0,0,0|1,0,1]=4 4011 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [0,2,0,0,0,0|1,0,1]=4 4012 B8R0.8 C=CCCC(=O)N(C)C 11a_100102631434_100000749702 [0,2,0,0,0,0|1,0,1]=4 4013 B8R0.8 C=CCCC(=O)N(C)C 1626a_100102631434_100000749702 [0,2,0,0,0,0|1,0,1]=4 4014 B8R0.8 C=CCCC(=O)N(C)C 240690a_100102631434_100000749702 [0,2,0,0,0,0|1,0,1]=4 4015 B8R0.8 C=CCCC(=O)N(C)C 527a_100102631434_100000749702 [0,2,0,0,0,0|1,0,1]=4 4016 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,2,0,0,0,0|1,0,1]=4 4017 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,2,0,0,0,0|1,0,1]=4 4018 B8R0.8 CC#CCC(=O)C(C)C 1458a_100000210198_100000748600 [0,2,0,0,0,0|1,0,1]=4 4019 B8R0.8 CC#CCC(=O)C(C)F 1458a_100000062450_100000748600 [0,2,0,0,0,0|1,0,1]=4 4020 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [0,2,0,0,0,0|1,0,1]=4 4021 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [0,2,0,0,0,0|1,0,1]=4 4022 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [0,2,0,0,0,0|2,0,0]=4 4023 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [0,2,0,0,0,0|2,0,0]=4 4024 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [0,2,0,0,0,0|1,0,1]=4 4025 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [0,2,0,0,0,0|1,0,1]=4 4026 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,2,0,0,0,0|1,0,0]=3 4027 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,2,0,0,0,0|1,0,0]=3 4028 B8R0.8 CC(C)C(=O)CSCF 62a_100000753385_100015361967 [0,2,0,0,0,0|2,0,0]=4 4029 B8R0.8 CC(C)C(=O)CSCF 62a_100015361967_100000753385 [0,2,0,0,0,0|2,0,0]=4 4030 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,2,0,0,0,0|2,0,0]=4 4031 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,2,0,0,0,0|2,0,0]=4 4032 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,2,0,0,0,0|2,0,0]=4 4033 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,2,0,0,0,0|2,0,0]=4 4034 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,2,0,0,0,0|2,0,0]=4 4035 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,2,0,0,0,0|2,0,0]=4 4036 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,2,0,0,0,0|2,0,0]=4 4037 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,2,0,0,0,0|2,0,0]=4 4038 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [0,2,0,0,0,0|1,0,1]=4 4039 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,2,0,0,0,0|1,0,0]=3 4040 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,2,0,0,0,0|1,0,0]=3 4041 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,2,0,0,0,0|2,0,0]=4 4042 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,2,0,0,0,0|2,0,0]=4 4043 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,2,0,0,0,0|2,0,0]=4 4044 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,2,0,0,0,0|2,0,0]=4 4045 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,2,0,0,0,0|2,0,0]=4 4046 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,2,0,0,0,0|2,0,0]=4 4047 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,2,0,0,0,0|1,0,1]=4 4048 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,2,0,0,0,0|1,0,1]=4 4049 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [0,2,0,0,0,0|1,0,1]=4 4050 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [0,2,0,0,0,0|1,0,1]=4 4051 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [0,2,0,0,0,0|1,0,1]=4 4052 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [0,2,0,0,0,0|1,0,1]=4 4053 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [0,2,0,0,0,0|1,0,1]=4 4054 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,2,0,0,0,0|1,0,1]=4 4055 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,2,0,0,0,0|1,0,1]=4 4056 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [0,2,0,0,0,0|1,0,1]=4 4057 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,2,0,0,0,0|2,0,0]=4 4058 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,2,0,0,0,0|2,0,0]=4 4059 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,2,0,0,0,0|1,0,1]=4 4060 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [0,2,0,0,0,0|1,0,1]=4 4061 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [0,2,0,0,0,0|1,0,1]=4 4062 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [0,2,0,0,0,0|1,0,1]=4 4063 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,2,0,0,0,0|1,0,0]=3 4064 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,2,0,0,0,0|1,0,0]=3 4065 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,2,0,0,0,0|1,0,0]=3 4066 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,2,0,0,0,0|2,0,0]=4 4067 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,2,0,0,0,0|1,0,0]=3 4068 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,2,0,0,0,0|1,0,0]=3 4069 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,2,0,0,0,0|1,0,0]=3 4070 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,2,0,0,0,0|1,0,0]=3 4071 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,2,0,0,0,0|1,0,0]=3 4072 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,2,0,0,0,0|1,0,0]=3 4073 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,2,0,0,0,0|1,0,0]=3 4074 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,2,0,0,0,0|2,0,0]=4 4075 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,2,0,0,0,0|1,0,0]=3 4076 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,2,0,0,0,0|1,0,0]=3 4077 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,2,0,0,0,0|1,0,0]=3 4078 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,2,0,0,0,0|1,0,0]=3 4079 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,2,0,0,0,0|1,0,0]=3 4080 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,2,0,0,0,0|1,0,0]=3 4081 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,2,0,0,0,0|1,0,0]=3 4082 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,2,0,0,0,0|1,0,0]=3 4083 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,2,0,0,0,0|1,0,0]=3 4084 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [0,2,0,0,0,0|2,0,0]=4 4085 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [0,2,0,0,0,0|2,0,0]=4 4086 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [0,2,0,0,0,0|2,0,0]=4 4087 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [0,2,0,0,0,0|2,0,0]=4 4088 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,2,0,0,0,0|2,0,0]=4 4089 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,2,0,0,0,0|1,0,0]=3 4090 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,2,0,0,0,0|1,0,0]=3 4091 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,2,0,0,0,0|1,0,0]=3 4092 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,2,0,0,0,0|1,0,0]=3 4093 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,2,0,0,0,0|1,0,0]=3 4094 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [0,2,0,0,0,0|1,0,0]=3 4095 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [0,2,0,0,0,0|1,0,0]=3 4096 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [0,2,0,0,0,0|2,0,0]=4 4097 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [0,2,0,0,0,0|2,0,0]=4 4098 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,2,0,0,0,0|2,0,0]=4 4099 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,2,0,0,0,0|2,0,0]=4 4100 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,2,0,0,0,0|1,0,0]=3 4101 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,2,0,0,0,0|1,0,0]=3 4102 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,2,0,0,0,0|1,0,0]=3 4103 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,2,0,0,0,0|1,0,0]=3 4104 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,2,0,0,0,0|1,0,0]=3 4105 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,2,0,0,0,0|1,0,0]=3 4106 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,2,0,0,0,0|1,0,0]=3 4107 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,2,0,0,0,0|1,0,0]=3 4108 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,2,0,0,0,0|1,0,0]=3 4109 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,2,0,0,0,0|1,0,0]=3 4110 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,2,0,0,0,0|1,0,0]=3 4111 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,2,0,0,0,0|1,0,0]=3 4112 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,2,0,0,0,0|1,0,0]=3 4113 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [0,2,0,0,0,0|1,0,0]=3 4114 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [0,2,0,0,0,0|1,0,0]=3 4115 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [0,2,0,0,0,0|1,0,0]=3 4116 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [0,2,0,0,0,0|1,0,0]=3 4117 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [0,2,0,0,0,0|1,0,0]=3 4118 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [0,2,0,0,0,0|1,0,0]=3 4119 B8R0.8 CN(C)C(=O)CCC#N 11a_100102631434_100011934036 [0,2,0,0,0,0|1,0,1]=4 4120 B8R0.8 CN(C)C(=O)CCC#N 1626a_100102631434_100011934036 [0,2,0,0,0,0|1,0,1]=4 4121 B8R0.8 CN(C)C(=O)CCC#N 240690a_100102631434_100011934036 [0,2,0,0,0,0|1,0,1]=4 4122 B8R0.8 CN(C)C(=O)CCC#N 527a_100102631434_100011934036 [0,2,0,0,0,0|1,0,1]=4 4123 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,2,0,0,0,0|1,0,0]=3 4124 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,2,0,0,0,0|1,0,0]=3 4125 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,2,0,0,0,0|1,0,0]=3 4126 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,2,0,0,0,0|1,0,0]=3 4127 B8R0.8 CN(C)C(=O)CSCF 62a_100000692301_100015361967 [0,2,0,0,0,0|2,0,0]=4 4128 B8R0.8 CN(C)C(=O)CSCF 62a_100015361967_100000692301 [0,2,0,0,0,0|2,0,0]=4 4129 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,2,0,0,0,0|1,0,0]=3 4130 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,2,0,0,0,0|1,0,0]=3 4131 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,2,0,0,0,0|1,0,0]=3 4132 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,2,0,0,0,0|1,0,0]=3 4133 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,2,0,0,0,0|1,0,0]=3 4134 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,2,0,0,0,0|1,0,0]=3 4135 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,2,0,0,0,0|2,0,0]=4 4136 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,2,0,0,0,0|1,0,0]=3 4137 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,2,0,0,0,0|1,0,0]=3 4138 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,2,0,0,0,0|1,0,0]=3 4139 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,2,0,0,0,0|1,0,0]=3 4140 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,2,0,0,0,0|1,0,0]=3 4141 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,2,0,0,0,0|1,0,0]=3 4142 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,2,0,0,0,0|1,0,0]=3 4143 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,2,0,0,0,0|1,0,0]=3 4144 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,2,0,0,0,0|1,0,0]=3 4145 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,2,0,0,0,0|1,0,0]=3 4146 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,2,0,0,0,0|2,0,0]=4 4147 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,2,0,0,0,0|1,0,0]=3 4148 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,2,0,0,0,0|1,0,0]=3 4149 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,2,0,0,0,0|1,0,0]=3 4150 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,2,0,0,0,0|1,0,0]=3 4151 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,2,0,0,0,0|1,0,0]=3 4152 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,2,0,0,0,0|1,0,0]=3 4153 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,2,0,0,0,0|1,0,0]=3 4154 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,2,0,0,0,0|1,0,0]=3 4155 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,2,0,0,0,0|2,0,0]=4 4156 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,2,0,0,0,0|2,0,0]=4 4157 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,2,0,0,0,0|1,0,1]=4 4158 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,2,0,0,0,0|1,0,0]=3 4159 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,2,0,0,0,0|1,0,0]=3 4160 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,2,0,0,0,0|2,0,0]=4 4161 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,2,0,0,0,0|2,0,0]=4 4162 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,2,0,0,0,0|1,0,1]=4 4163 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,2,0,0,0,0|1,0,0]=3 4164 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,2,0,0,0,0|1,0,0]=3 4165 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,2,0,0,0,0|2,0,0]=4 4166 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,2,0,0,0,0|2,0,0]=4 4167 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,2,0,0,0,0|2,0,0]=4 4168 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,2,0,0,0,0|2,0,0]=4 4169 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,2,0,0,0,0|2,0,0]=4 4170 B8R0.9 C#CC(=O)CCC(=C)C 1458a_100000211873_100000730704 [0,2,0,0,0,0|1,0,1]=4 4171 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,2,0,0,0,0|1,0,1]=4 4172 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,2,0,0,0,0|1,0,1]=4 4173 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,2,0,0,0,0|1,0,0]=3 4174 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,2,0,0,0,0|1,0,0]=3 4175 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,2,0,0,0,0|2,0,0]=4 4176 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,2,0,0,0,0|2,0,0]=4 4177 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,2,0,0,0,0|1,0,0]=3 4178 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,2,0,0,0,0|1,0,0]=3 4179 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,2,0,0,0,0|1,0,0]=3 4180 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,2,0,0,0,0|1,0,0]=3 4181 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,2,0,0,0,0|1,0,1]=4 4182 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,2,0,0,0,0|1,0,1]=4 4183 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,2,0,0,0,0|1,0,1]=4 4184 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,2,0,0,0,0|1,0,1]=4 4185 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,2,0,0,0,0|1,0,1]=4 4186 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,2,0,0,0,0|1,0,1]=4 4187 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,2,0,0,0,0|1,0,1]=4 4188 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,2,0,0,0,0|1,0,1]=4 4189 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,2,0,0,0,0|1,0,1]=4 4190 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,2,0,0,0,0|1,0,1]=4 4191 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,2,0,0,0,0|1,0,1]=4 4192 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,2,0,0,0,0|1,0,1]=4 4193 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,2,0,0,0,0|1,0,1]=4 4194 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,2,0,0,0,0|1,0,1]=4 4195 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,2,0,0,0,0|1,0,1]=4 4196 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [0,2,0,0,0,0|1,0,1]=4 4197 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,2,0,0,0,0|2,0,0]=4 4198 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,2,0,0,0,0|2,0,0]=4 4199 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,2,0,0,0,0|1,0,1]=4 4200 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,2,0,0,0,0|1,0,1]=4 4201 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,2,0,0,0,0|2,0,0]=4 4202 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,2,0,0,0,0|2,0,0]=4 4203 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,2,0,0,0,0|2,0,0]=4 4204 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [0,2,0,0,0,0|2,0,0]=4 4205 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,2,0,0,0,0|2,0,0]=4 4206 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,2,0,0,0,0|2,0,0]=4 4207 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,2,0,0,0,0|2,0,0]=4 4208 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,2,0,0,0,0|1,0,1]=4 4209 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,2,0,0,0,0|1,0,1]=4 4210 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,2,0,0,0,0|1,0,1]=4 4211 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,2,0,0,0,0|1,0,1]=4 4212 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,2,0,0,0,0|1,0,0]=3 4213 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,2,0,0,0,0|1,0,0]=3 4214 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,2,0,0,0,0|1,0,0]=3 4215 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,2,0,0,0,0|2,0,0]=4 4216 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,2,0,0,0,0|1,0,0]=3 4217 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,2,0,0,0,0|1,0,1]=4 4218 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,2,0,0,0,0|1,0,1]=4 4219 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,2,0,0,0,0|1,0,0]=3 4220 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,2,0,0,0,0|1,0,0]=3 4221 B8R0.9 CCC(=O)COC(F)F 1458a_200000719455_100000210202 [0,2,0,0,0,0|2,0,0]=4 4222 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,2,0,0,0,0|1,0,1]=4 4223 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,2,0,0,0,0|1,0,0]=3 4224 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,2,0,0,0,0|1,0,0]=3 4225 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,2,0,0,0,0|1,0,0]=3 4226 B8R0.9 CCC(=O)CSC(F)F 1458a_114828291038_100000210202 [0,2,0,0,0,0|2,0,0]=4 4227 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,2,0,0,0,0|1,0,1]=4 4228 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,2,0,0,0,0|1,0,1]=4 4229 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,2,0,0,0,0|1,0,0]=3 4230 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,2,0,0,0,0|1,0,0]=3 4231 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,2,0,0,0,0|1,0,0]=3 4232 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,2,0,0,0,0|1,0,0]=3 4233 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,2,0,0,0,0|1,0,0]=3 4234 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,2,0,0,0,0|1,0,0]=3 4235 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,2,0,0,0,0|1,0,0]=3 4236 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [0,2,0,0,0,0|2,0,0]=4 4237 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [0,2,0,0,0,0|2,0,0]=4 4238 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [0,2,0,0,0,0|2,0,0]=4 4239 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [0,2,0,0,0,0|2,0,0]=4 4240 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,2,0,0,0,0|2,0,0]=4 4241 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,2,0,0,0,0|2,0,0]=4 4242 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,2,0,0,0,0|2,0,0]=4 4243 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,2,0,0,0,0|1,0,1]=4 4244 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,2,0,0,0,0|1,0,1]=4 4245 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,2,0,0,0,0|1,0,1]=4 4246 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,2,0,0,0,0|1,0,1]=4 4247 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,2,0,0,0,0|1,0,1]=4 4248 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,2,0,0,0,0|1,0,1]=4 4249 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,2,0,0,0,0|1,0,1]=4 4250 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,2,0,0,0,0|1,0,0]=3 4251 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,2,0,0,0,0|1,0,1]=4 4252 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,2,0,0,0,0|1,0,1]=4 4253 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,2,0,0,0,0|1,0,0]=3 4254 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,2,0,0,0,0|1,0,0]=3 4255 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,2,0,0,0,0|1,0,0]=3 4256 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,2,0,0,0,0|1,0,0]=3 4257 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,2,0,0,0,0|1,0,0]=3 4258 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,2,0,0,0,0|1,0,0]=3 4259 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,2,0,0,0,0|1,0,0]=3 4260 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,2,0,0,0,0|1,0,0]=3 4261 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,2,0,0,0,0|1,0,0]=3 4262 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,2,0,0,0,0|1,0,0]=3 4263 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,2,0,0,0,0|1,0,0]=3 4264 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,2,0,0,0,0|1,0,0]=3 4265 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,2,0,0,0,0|1,0,0]=3 4266 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,2,0,0,0,0|1,0,0]=3 4267 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,2,0,0,0,0|1,0,0]=3 4268 B8R0.9 CNC(=O)CC[N+](=O)[O-] 11a_106832991635_200000064761 [0,2,0,0,0,0|2,0,0]=4 4269 B8R0.9 CNC(=O)CC[N+](=O)[O-] 1626a_100102657272_200000064761 [0,2,0,0,0,0|2,0,0]=4 4270 B8R0.9 CNC(=O)CC[N+](=O)[O-] 240690a_100102657272_200000064761 [0,2,0,0,0,0|2,0,0]=4 4271 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,2,0,0,0,0|1,0,0]=3 4272 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,2,0,0,0,0|1,0,0]=3 4273 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,2,0,0,0,0|1,0,0]=3 4274 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,2,0,0,0,0|1,0,1]=4 4275 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,2,0,0,0,0|1,0,1]=4 4276 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,2,0,0,0,0|1,0,1]=4 4277 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,2,0,0,0,0|1,0,1]=4 4278 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,2,0,0,0,0|1,0,1]=4 4279 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,2,0,0,0,0|1,0,1]=4 4280 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,2,0,0,0,0|1,0,1]=4 4281 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,2,0,0,0,0|1,0,0]=3 4282 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,2,0,0,0,0|1,0,0]=3 4283 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,2,0,0,0,0|1,0,0]=3 4284 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,2,0,0,0,0|1,0,1]=4 4285 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,2,0,0,0,0|1,0,1]=4 4286 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,2,0,0,0,0|1,0,1]=4 4287 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,2,0,0,0,0|1,0,0]=3 4288 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,2,0,0,0,0|1,0,0]=3 4289 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,2,0,0,0,0|1,0,0]=3 4290 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,2,0,0,0,0|1,0,0]=3 4291 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,2,0,0,0,0|1,0,0]=3 4292 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,2,0,0,0,0|1,0,0]=3 4293 B8R0.9 CNC(=O)COC(F)F 11a_106832991635_200000719455 [0,2,0,0,0,0|2,0,0]=4 4294 B8R0.9 CNC(=O)COC(F)F 1626a_100102657272_200000719455 [0,2,0,0,0,0|2,0,0]=4 4295 B8R0.9 CNC(=O)COC(F)F 240690a_100102657272_200000719455 [0,2,0,0,0,0|2,0,0]=4 4296 B8R0.9 CNC(=O)COC(F)F 527a_100102657272_200000719455 [0,2,0,0,0,0|2,0,0]=4 4297 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,2,0,0,0,0|1,0,1]=4 4298 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,2,0,0,0,0|1,0,1]=4 4299 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,2,0,0,0,0|1,0,1]=4 4300 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,2,0,0,0,0|1,0,0]=3 4301 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,2,0,0,0,0|1,0,0]=3 4302 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,2,0,0,0,0|1,0,0]=3 4303 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,2,0,0,0,0|1,0,0]=3 4304 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,2,0,0,0,0|1,0,0]=3 4305 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,2,0,0,0,0|1,0,0]=3 4306 B8R0.9 CNC(=O)CSC(F)F 11a_106832991635_114828291038 [0,2,0,0,0,0|2,0,0]=4 4307 B8R0.9 CNC(=O)CSC(F)F 1626a_100102657272_114828291038 [0,2,0,0,0,0|2,0,0]=4 4308 B8R0.9 CNC(=O)CSC(F)F 240690a_100102657272_114828291038 [0,2,0,0,0,0|2,0,0]=4 4309 B8R0.9 CNC(=O)CSC(F)F 527a_100102657272_114828291038 [0,2,0,0,0,0|2,0,0]=4 4310 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,2,0,0,0,0|1,0,0]=3 4311 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,2,0,0,0,0|1,0,0]=3 4312 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,2,0,0,0,0|1,0,0]=3 4313 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,2,0,0,0,0|1,0,0]=3 4314 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,2,0,0,0,0|1,0,0]=3 4315 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,2,0,0,0,0|1,0,0]=3 4316 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,2,0,0,0,0|1,0,0]=3 4317 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,2,0,0,0,0|1,0,0]=3 4318 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,2,0,0,0,0|1,0,0]=3 4319 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,2,0,0,0,0|1,0,0]=3 4320 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,2,0,0,0,0|1,0,0]=3 4321 B8R0.9 CNC(=O)NCC(F)F 2708a_100102657272_100000765723 [0,2,0,0,0,0|2,0,0]=4 4322 B8R0.9 CNC(=O)NCC(F)F 273464a_100000765723_100102657272 [0,2,0,0,0,0|2,0,0]=4 4323 B8R0.9 CNC(=O)NCC(F)F 273464a_100102657272_100000765723 [0,2,0,0,0,0|2,0,0]=4 4324 B8R0.9 CNC(=O)NCC(F)F 512a_100000765723_100102657272 [0,2,0,0,0,0|2,0,0]=4 4325 B8R0.9 CNC(=O)NCC(F)F 512a_106832991638_100000765723 [0,2,0,0,0,0|2,0,0]=4 4326 B8R0.9 CNC(=O)NNC(C)C 273464a_100102657272_100000741168 [0,2,0,0,0,0|2,0,0]=4 4327 B8R0.9 CNC(=O)NNC(C)C 512a_100000741168_100102657272 [0,2,0,0,0,0|2,0,0]=4 4328 B8R0.9 CNC(=O)NNC(C)C 512a_106832991638_100000741168 [0,2,0,0,0,0|2,0,0]=4 4329 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,2,0,0,0,0|0,1,0]=3 4330 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,2,0,0,0,0|0,1,0]=3 4331 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,2,0,0,0,0|0,1,0]=3 4332 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,2,0,0,0,0|0,1,0]=3 4333 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,2,0,0,0,0|0,1,0]=3 4334 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,2,0,0,0,0|0,1,0]=3 4335 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,2,0,0,0,0|0,1,1]=4 4336 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,2,0,0,0,0|0,1,0]=3 4337 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,2,0,0,0,0|0,1,0]=3 4338 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,2,0,0,0,0|0,1,0]=3 4339 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,2,0,0,0,0|0,1,0]=3 4340 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,2,0,0,0,0|0,1,0]=3 4341 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,2,0,0,0,0|0,1,1]=4 4342 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,2,0,0,0,0|0,1,1]=4 4343 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,2,0,0,0,0|1,0,1]=4 4344 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,2,0,0,0,0|1,0,1]=4 4345 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [0,2,0,0,0,0|2,0,0]=4 4346 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [0,2,0,0,0,0|1,0,1]=4 4347 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [0,2,0,0,0,0|1,0,1]=4 4348 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [0,2,0,0,0,0|1,0,1]=4 4349 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [0,2,0,0,0,0|1,0,1]=4 4350 B8R0.25 CCCCS(=O)(=O)NC 270084a_100102657272_100000212082 [0,2,0,0,0,0|2,0,0]=4 4351 B8R0.25 CCCCS(=O)(=O)NC 274078a_100102657272_100000212082 [0,2,0,0,0,0|2,0,0]=4 4352 B8R0.25 CCCCS(=O)(=O)NC 40a_100102657272_100000054263 [0,2,0,0,0,0|2,0,0]=4 4353 B8R0.25 CCCNS(=O)(=O)CC 270084a_100020643023_100000211323 [0,2,0,0,0,0|2,0,0]=4 4354 B8R0.25 CCCNS(=O)(=O)CC 274078a_100020643023_100000211323 [0,2,0,0,0,0|2,0,0]=4 4355 B8R0.25 CCCNS(=O)(=O)CC 40a_100020643023_100000053943 [0,2,0,0,0,0|2,0,0]=4 4356 B8R0.25 CCNCC(C)(C)SC 270004a_100015525214_100009845794 [0,2,0,0,0,0|1,0,1]=4 4357 B8R0.25 CCS(=O)(=O)CCNC 2230a_100000751051_200000210301 [0,2,0,0,0,0|2,0,0]=4 4358 B8R0.25 CCS(=O)(=O)CCNC 2230a_106832991635_100000756660 [0,2,0,0,0,0|2,0,0]=4 4359 B8R0.25 CCS(=O)(=O)CCNC 34a_100000751051_200000210301 [0,2,0,0,0,0|2,0,0]=4 4360 B8R0.25 CCS(=O)(=O)CCNC 34a_100102657272_100000756660 [0,2,0,0,0,0|2,0,0]=4 4361 B8R0.25 CCS(=O)(=O)CCNC 7a_106832991635_100000756660 [0,2,0,0,0,0|2,0,0]=4 4362 B8R0.25 CCS(=O)(=O)CCN[13CH3] 2230a_100000751051_200025704644 [0,2,0,0,0,0|2,0,0]=4 4363 B8R0.25 CCS(=O)(=O)CCN[13CH3] 34a_100000751051_200025704644 [0,2,0,0,0,0|2,0,0]=4 4364 B8R0.25 CCS(=O)(=O)CCOC 34a_100138415774_100000756660 [0,2,0,0,0,0|2,0,0]=4 4365 B8R0.25 CCS(=O)(=O)CCOC 34a_200011216379_200000210301 [0,2,0,0,0,0|2,0,0]=4 4366 B8R0.25 CCS(=O)(=O)CCOC 7a_200011216379_200000210301 [0,2,0,0,0,0|2,0,0]=4 4367 B8R0.25 CCS(=O)(=O)CCO[13CH3] 34a_200011216379_200025704644 [0,2,0,0,0,0|2,0,0]=4 4368 B8R0.25 CCS(=O)(=O)CCO[13CH3] 7a_200011216379_200025704644 [0,2,0,0,0,0|2,0,0]=4 4369 B8R0.25 CCS(=O)(=O)CCSC 62a_100000756660_200000210301 [0,2,0,0,0,0|2,0,0]=4 4370 B8R0.25 CCS(=O)(=O)CCSC 62a_200000210301_100000756660 [0,2,0,0,0,0|2,0,0]=4 4371 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_100000756660_200025704644 [0,2,0,0,0,0|2,0,0]=4 4372 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_200025704644_100000756660 [0,2,0,0,0,0|2,0,0]=4 4373 B8R0.25 CNCCS(=O)(=O)NC 2230a_100000710037_200000210301 [0,2,0,0,0,0|2,0,0]=4 4374 B8R0.25 CNCCS(=O)(=O)NC 34a_100000710037_200000210301 [0,2,0,0,0,0|2,0,0]=4 4375 B8R0.25 CNS(=O)(=O)CCCCl 270084a_100102657272_100000211827 [0,2,0,0,0,0|2,0,0]=4 4376 B8R0.25 CNS(=O)(=O)CCCF 270084a_100102657272_200000759752 [0,2,0,0,0,0|2,0,0]=4 4377 B8R0.25 CNS(=O)(=O)CCCF 274078a_100102657272_200000759752 [0,2,0,0,0,0|2,0,0]=4 4378 B8R0.25 CNS(=O)(=O)CCN[13CH3] 2230a_100000710037_200025704644 [0,2,0,0,0,0|2,0,0]=4 4379 B8R0.25 CNS(=O)(=O)CCN[13CH3] 34a_100000710037_200025704644 [0,2,0,0,0,0|2,0,0]=4 4380 B8R0.25 CNS(=O)(=O)CCOC 270084a_100102657272_100000745348 [0,2,0,0,0,0|2,0,0]=4 4381 B8R0.25 CNS(=O)(=O)CCOC 274078a_100102657272_100000745348 [0,2,0,0,0,0|2,0,0]=4 4382 B8R0.12 CCCS(=O)(=O)N(C)C 270084a_100102631434_100000211391 [0,2,0,0,0,0|2,0,0]=4 4383 B8R0.12 CCCS(=O)(=O)N(C)C 274078a_100102631434_100000211391 [0,2,0,0,0,0|2,0,0]=4 4384 B8R0.12 CCCS(=O)(=O)N(C)C 40a_100102631434_100000054278 [0,2,0,0,0,0|2,0,0]=4 4385 B8R0.14 CC(C)(C)C(=O)CCF 1458a_106744555173_100011217306 [0,2,0,0,0,0|2,0,0]=4 4386 B8R0.14 CC(C)(C)C(=O)CCO 1458a_106744555173_100000211926 [0,2,0,0,0,0|2,0,0]=4 4387 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 34a_200011592769_200025704644 [0,2,0,0,0,0|2,0,0]=4 4388 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 7a_200011592769_200025704644 [0,2,0,0,0,0|2,0,0]=4 4389 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_100000210923_200025704644 [0,2,0,0,0,0|2,0,0]=4 4390 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_200025704644_100000210923 [0,2,0,0,0,0|2,0,0]=4 4391 B8R0.14 CC(C)(F)C(=O)CCF 1458a_100000765255_100011217306 [0,2,0,0,0,0|2,0,0]=4 4392 B8R0.14 CC(C)(F)C(=O)CCO 1458a_100000765255_100000211926 [0,2,0,0,0,0|2,0,0]=4 4393 B8R0.14 CC(C)(O)C(=O)CCF 1458a_100000242741_100011217306 [0,2,0,0,0,0|2,0,0]=4 4394 B8R0.14 CC(C)(O)C(=O)CCO 1458a_100000242741_100000211926 [0,2,0,0,0,0|2,0,0]=4 4395 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [0,2,0,0,0,0|1,0,0]=3 4396 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [0,2,0,0,0,0|1,0,0]=3 4397 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [0,2,0,0,0,0|1,0,0]=3 4398 B8R0.14 CCCC(=O)C(F)(F)F 1458a_100000211992_200000243211 [0,2,0,0,0,0|2,0,0]=4 4399 B8R0.14 CCCC(=O)C(F)(F)F 1458a_100015355933_100000210303 [0,2,0,0,0,0|2,0,0]=4 4400 B8R0.14 CCNC(=O)C(C)(C)C 11a_100015525214_106744555173 [0,2,0,0,0,0|2,0,0]=4 4401 B8R0.14 CCNC(=O)C(C)(C)C 240690a_100015525214_106744555173 [0,2,0,0,0,0|2,0,0]=4 4402 B8R0.14 CCNC(=O)C(C)(C)C 527a_100015525214_106744555173 [0,2,0,0,0,0|2,0,0]=4 4403 B8R0.14 CCNC(=O)C(C)(C)F 11a_100015525214_100000765255 [0,2,0,0,0,0|2,0,0]=4 4404 B8R0.14 CCNC(=O)C(C)(C)F 240690a_100015525214_100000765255 [0,2,0,0,0,0|2,0,0]=4 4405 B8R0.14 CCNC(=O)C(C)(C)F 527a_100015525214_100000765255 [0,2,0,0,0,0|2,0,0]=4 4406 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [0,2,0,0,0,0|2,0,0]=4 4407 B8R0.14 CCNC(=O)C(C)(F)F 11a_100015525214_100000042251 [0,2,0,0,0,0|2,0,0]=4 4408 B8R0.14 CCNC(=O)C(C)(F)F 240690a_100015525214_100000042251 [0,2,0,0,0,0|2,0,0]=4 4409 B8R0.14 CCNC(=O)C(C)(F)F 527a_100015525214_100000042251 [0,2,0,0,0,0|2,0,0]=4 4410 B8R0.14 CNCC(=O)C(C)(C)C 34a_100102657272_100000229897 [0,2,0,0,0,0|2,0,0]=4 4411 B8R0.14 CNCC(=O)C(C)(C)C 7a_106832991635_100000210923 [0,2,0,0,0,0|2,0,0]=4 4412 B8R0.14 COCC(=O)C(C)(C)C 34a_100138415774_100000229897 [0,2,0,0,0,0|2,0,0]=4 4413 B8R0.14 COCC(=O)C(C)(C)C 34a_200011592769_200000210301 [0,2,0,0,0,0|2,0,0]=4 4414 B8R0.14 COCC(=O)C(C)(C)C 7a_200011592769_200000210301 [0,2,0,0,0,0|2,0,0]=4 4415 B8R0.14 CSCC(=O)C(C)(C)C 62a_100000210923_200000210301 [0,2,0,0,0,0|2,0,0]=4 4416 B8R0.14 CSCC(=O)C(C)(C)C 62a_200000210301_100000210923 [0,2,0,0,0,0|2,0,0]=4 4417 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,2,0,0,0,0|1,0,1]=4 4418 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,2,0,0,0,0|1,0,1]=4 4419 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,2,0,0,0,0|1,0,1]=4 4420 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,2,0,0,0,0|0,1,1]=4 4421 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,2,0,0,0,0|0,1,1]=4 4422 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,2,0,0,0,0|0,1,1]=4 4423 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,2,0,0,0,0|0,1,1]=4 4424 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 4425 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 4426 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 4427 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,2,0,0,0,0|2,0,0]=4 4428 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,2,0,0,0,0|1,0,1]=4 4429 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,2,0,0,0,0|1,0,1]=4 4430 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,2,0,0,0,0|1,0,1]=4 4431 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,2,0,0,0,0|1,0,1]=4 4432 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,2,0,0,0,0|1,0,1]=4 4433 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,2,0,0,0,0|1,0,1]=4 4434 B8R0.22 CCCC(CC)SCC 62a_100000210202_100011219200 [0,2,0,0,0,0|1,0,1]=4 4435 B8R0.22 CCCC(CC)SCC 62a_100011219200_100000210202 [0,2,0,0,0,0|1,0,1]=4 4436 B8R0.22 CCCC(CC)SCF 62a_100011219200_100015361967 [0,2,0,0,0,0|1,0,1]=4 4437 B8R0.22 CCCC(CC)SCF 62a_100015361967_100011219200 [0,2,0,0,0,0|1,0,1]=4 4438 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [0,2,0,0,0,0|1,0,1]=4 4439 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [0,2,0,0,0,0|1,0,1]=4 4440 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [0,2,0,0,0,0|1,0,1]=4 4441 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [0,2,0,0,0,0|1,0,1]=4 4442 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [0,2,0,0,0,0|2,0,0]=4 4443 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [0,2,0,0,0,0|2,0,0]=4 4444 B8R0.22 CCCN(CC)CSC 2230a_100000226822_100011218213 [0,2,0,0,0,0|2,0,0]=4 4445 B8R0.22 CCCN(CC)CSC 269982a_100000226822_100011218213 [0,2,0,0,0,0|2,0,0]=4 4446 B8R0.30 CCCS(=O)(=O)NCC 270084a_100015525214_100000211391 [0,2,0,0,0,0|2,0,0]=4 4447 B8R0.30 CCCS(=O)(=O)NCC 274078a_100015525214_100000211391 [0,2,0,0,0,0|2,0,0]=4 4448 B8R0.30 CCCS(=O)(=O)NCC 40a_100015525214_100000054278 [0,2,0,0,0,0|2,0,0]=4 4449 B8R0.30 CCCS(=O)(=O)NNC 40a_100016993582_100000054278 [0,2,0,0,0,0|2,0,0]=4 4450 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [0,2,0,0,0,0|1,0,0]=3 4451 B8R0.13 CCC(=O)C(C)(C)CF 1458a_100000138116_100000210202 [0,2,0,0,0,0|2,0,0]=4 4452 B8R0.13 CCC(=O)C(C)(C)CO 1458a_100000749806_100000210202 [0,2,0,0,0,0|2,0,0]=4 4453 B8R0.13 CCC(=O)C(C)(C)OC 1458a_100000753492_100000210202 [0,2,0,0,0,0|2,0,0]=4 4454 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [0,2,0,0,0,0|1,0,0]=3 4455 B8R0.13 CCC(=O)C(F)(F)CC 1458a_100000061896_100000210202 [0,2,0,0,0,0|1,0,0]=3 4456 B8R0.13 CCC(C)(C)C(=O)CF 1458a_100000749717_100015361967 [0,2,0,0,0,0|2,0,0]=4 4457 B8R0.13 CCC(C)(C)C(=O)NC 11a_106832991635_100000749717 [0,2,0,0,0,0|1,0,0]=3 4458 B8R0.13 CCC(C)(C)C(=O)NC 1626a_100102657272_100000749717 [0,2,0,0,0,0|1,0,0]=3 4459 B8R0.13 CCC(C)(C)C(=O)NC 240690a_100102657272_100000749717 [0,2,0,0,0,0|1,0,0]=3 4460 B8R0.13 CCC(C)(C)C(=O)NC 527a_100102657272_100000749717 [0,2,0,0,0,0|1,0,0]=3 4461 B8R0.13 CCC(C)(O)C(=O)CF 1458a_100011219770_100015361967 [0,2,0,0,0,0|2,0,0]=4 4462 B8R0.13 CCC(C)(O)C(=O)NC 240690a_100102657272_100011219770 [0,2,0,0,0,0|1,0,0]=3 4463 B8R0.13 CCC(C)S(=O)(=O)NC 270084a_100102657272_100000685195 [0,2,0,0,0,0|2,0,0]=4 4464 B8R0.13 CCC(C)S(=O)(=O)NC 274078a_100102657272_100000685195 [0,2,0,0,0,0|2,0,0]=4 4465 B8R0.13 CCC(F)(F)C(=O)CF 1458a_100000061896_100015361967 [0,2,0,0,0,0|2,0,0]=4 4466 B8R0.13 CCC(F)(F)C(=O)NC 11a_106832991635_100000061896 [0,2,0,0,0,0|1,0,0]=3 4467 B8R0.13 CCC(F)(F)C(=O)NC 1626a_100102657272_100000061896 [0,2,0,0,0,0|1,0,0]=3 4468 B8R0.13 CCC(F)(F)C(=O)NC 240690a_100102657272_100000061896 [0,2,0,0,0,0|1,0,0]=3 4469 B8R0.13 CCC(F)(F)C(=O)NC 527a_100102657272_100000061896 [0,2,0,0,0,0|1,0,0]=3 4470 B8R0.13 CNC(=O)C(C)(C)CF 11a_106832991635_100000138116 [0,2,0,0,0,0|2,0,0]=4 4471 B8R0.13 CNC(=O)C(C)(C)CF 1626a_100102657272_100000138116 [0,2,0,0,0,0|2,0,0]=4 4472 B8R0.13 CNC(=O)C(C)(C)CF 240690a_100102657272_100000138116 [0,2,0,0,0,0|2,0,0]=4 4473 B8R0.13 CNC(=O)C(C)(C)CF 527a_100102657272_100000138116 [0,2,0,0,0,0|2,0,0]=4 4474 B8R0.13 CNC(=O)C(C)(C)CO 1626a_100102657272_100000749806 [0,2,0,0,0,0|2,0,0]=4 4475 B8R0.13 CNC(=O)C(C)(C)CO 240690a_100102657272_100000749806 [0,2,0,0,0,0|2,0,0]=4 4476 B8R0.13 CNC(=O)C(C)(C)CO 527a_100102657272_100000749806 [0,2,0,0,0,0|2,0,0]=4 4477 B8R0.13 CNC(=O)C(C)(C)NC 2230a_106832991635_100000732697 [0,2,0,0,0,0|2,0,0]=4 4478 B8R0.13 CNC(=O)C(C)(C)NC 34a_100102657272_100000732697 [0,2,0,0,0,0|2,0,0]=4 4479 B8R0.13 CNC(=O)C(C)(C)OC 11a_106832991635_100000753492 [0,2,0,0,0,0|2,0,0]=4 4480 B8R0.13 CNC(=O)C(C)(C)OC 1626a_100102657272_100000753492 [0,2,0,0,0,0|2,0,0]=4 4481 B8R0.13 CNC(=O)C(C)(C)OC 240690a_100102657272_100000753492 [0,2,0,0,0,0|2,0,0]=4 4482 B8R0.13 CNC(=O)C(C)(C)OC 34a_100138415774_100000732697 [0,2,0,0,0,0|2,0,0]=4 4483 B8R0.13 CNC(=O)C(C)(C)OC 527a_100102657272_100000753492 [0,2,0,0,0,0|2,0,0]=4 4484 B8R0.13 CNC(=O)C(C)(C)SC 62a_100000732697_200000210301 [0,2,0,0,0,0|2,0,0]=4 4485 B8R0.13 CNC(=O)C(C)(C)SC 62a_200000210301_100000732697 [0,2,0,0,0,0|2,0,0]=4 4486 B8R0.13 CNC(=O)C(C)(C)S[13CH3] 62a_100000732697_200025704644 [0,2,0,0,0,0|2,0,0]=4 4487 B8R0.13 CNC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000732697 [0,2,0,0,0,0|2,0,0]=4 4488 B8R0.13 CNC(C)(C)C(=O)OC 2230a_106832991635_100000689032 [0,2,0,0,0,0|1,1,0]=4 4489 B8R0.13 CNC(C)(F)C(=O)OC 2230a_106832991635_200009867631 [0,2,0,0,0,0|1,1,0]=4 4490 B8R0.13 CNC(C)(F)C(=O)OC 34a_100102657272_200009867631 [0,2,0,0,0,0|1,1,0]=4 4491 B8R0.13 CNC(F)(F)C(=O)OC 34a_100102657272_100000211177 [0,2,0,0,0,0|1,1,0]=4 4492 B8R0.13 CNC(F)(F)C(=O)OC 7a_106832991635_100000211177 [0,2,0,0,0,0|1,1,0]=4 4493 B8R0.13 COC(=O)C(C)(C)OC 34a_100011217581_200000210301 [0,2,0,0,0,0|1,1,0]=4 4494 B8R0.13 COC(=O)C(C)(C)OC 7a_100011217581_200000210301 [0,2,0,0,0,0|1,1,0]=4 4495 B8R0.13 COC(=O)C(C)(C)O[13CH3] 34a_100011217581_200025704644 [0,2,0,0,0,0|1,1,0]=4 4496 B8R0.13 COC(=O)C(C)(C)O[13CH3] 7a_100011217581_200025704644 [0,2,0,0,0,0|1,1,0]=4 4497 B8R0.13 COC(=O)C(C)(C)SC 62a_100000689032_200000210301 [0,2,0,0,0,0|1,1,0]=4 4498 B8R0.13 COC(=O)C(C)(C)SC 62a_200000210301_100000689032 [0,2,0,0,0,0|1,1,0]=4 4499 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_100000689032_200025704644 [0,2,0,0,0,0|1,1,0]=4 4500 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000689032 [0,2,0,0,0,0|1,1,0]=4 4501 B8R0.13 COC(=O)C(C)(F)OC 34a_100138415774_200009867631 [0,2,0,0,0,0|1,1,0]=4 4502 B8R0.13 COC(=O)C(C)(F)SC 62a_200000210301_200009867631 [0,2,0,0,0,0|1,1,0]=4 4503 B8R0.13 COC(=O)C(C)(F)SC 62a_200009867631_200000210301 [0,2,0,0,0,0|1,1,0]=4 4504 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200009867631_200025704644 [0,2,0,0,0,0|1,1,0]=4 4505 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200025704644_200009867631 [0,2,0,0,0,0|1,1,0]=4 4506 B8R0.13 COC(=O)C(F)(F)OC 34a_100138415774_100000211177 [0,2,0,0,0,0|1,1,0]=4 4507 B8R0.13 COC(=O)C(F)(F)SC 62a_100000211177_200000210301 [0,2,0,0,0,0|1,1,0]=4 4508 B8R0.13 COC(=O)C(F)(F)SC 62a_200000210301_100000211177 [0,2,0,0,0,0|1,1,0]=4 4509 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_100000211177_200025704644 [0,2,0,0,0,0|1,1,0]=4 4510 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000211177 [0,2,0,0,0,0|1,1,0]=4 4511 B8R0.20 C#CC(=O)C(CC)CC 1458a_100000211873_100000210505 [0,2,0,0,0,0|1,0,1]=4 4512 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [0,2,0,0,0,0|1,0,1]=4 4513 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,2,0,0,0,0|1,0,0]=3 4514 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,2,0,0,0,0|1,0,0]=3 4515 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,2,0,0,0,0|1,0,0]=3 4516 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,2,0,0,0,0|1,0,0]=3 4517 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,2,0,0,0,0|1,0,0]=3 4518 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,2,0,0,0,0|1,0,0]=3 4519 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,2,0,0,0,0|1,0,0]=3 4520 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [0,2,0,0,0,0|2,0,0]=4 4521 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 4522 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 4523 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 4524 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 4525 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [0,2,0,0,0,0|2,0,0]=4 4526 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,2,0,0,0,0|2,0,0]=4 4527 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [0,2,0,0,0,0|1,0,0]=3 4528 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [0,2,0,0,0,0|1,0,0]=3 4529 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [0,2,0,0,0,0|1,0,0]=3 4530 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [0,2,0,0,0,0|1,0,0]=3 4531 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,2,0,0,0,0|0,1,0]=3 4532 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,2,0,0,0,0|0,1,0]=3 4533 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,2,0,0,0,0|0,1,0]=3 4534 B8R0.20 CCC(OC)C(=O)CF 1458a_100000747056_100015361967 [0,2,0,0,0,0|2,0,0]=4 4535 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [0,2,0,0,0,0|1,0,0]=3 4536 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [0,2,0,0,0,0|1,0,0]=3 4537 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [0,2,0,0,0,0|1,0,0]=3 4538 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [0,2,0,0,0,0|1,0,0]=3 4539 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,2,0,0,0,0|0,1,0]=3 4540 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,2,0,0,0,0|0,1,0]=3 4541 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,2,0,0,0,0|0,1,0]=3 4542 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,2,0,0,0,0|0,1,0]=3 4543 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,2,0,0,0,0|0,1,0]=3 4544 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,2,0,0,0,0|0,1,0]=3 4545 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,2,0,0,0,0|0,1,0]=3 4546 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,2,0,0,0,0|0,1,0]=3 4547 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,2,0,0,0,0|0,1,0]=3 4548 B8R0.20 CCN(CC)C(=O)NC 2708a_100102657272_100000724800 [0,2,0,0,0,0|2,0,0]=4 4549 B8R0.20 CCN(CC)C(=O)NC 273464a_100102657272_100000724800 [0,2,0,0,0,0|2,0,0]=4 4550 B8R0.20 CC[C@H](NC)C(=O)NC 2230a_106657271573_200000210301 [0,2,0,0,0,0|1,0,0]=3 4551 B8R0.20 CC[C@H](NC)C(=O)NC 34a_106657271573_200000210301 [0,2,0,0,0,0|1,0,0]=3 4552 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 2230a_106657271573_200025704644 [0,2,0,0,0,0|1,0,0]=3 4553 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 34a_106657271573_200025704644 [0,2,0,0,0,0|1,0,0]=3 4554 B8R0.20 CNC(=O)C(OC)OC 11a_106832991635_100000046285 [0,2,0,0,0,0|2,0,0]=4 4555 B8R0.20 CNC(=O)C(OC)OC 240690a_100102657272_100000046285 [0,2,0,0,0,0|2,0,0]=4 4556 B8R0.20 CNC(=O)C(OC)OC 527a_100102657272_100000046285 [0,2,0,0,0,0|2,0,0]=4 4557 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,2,0,0,0,0|1,1,0]=4 4558 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [0,2,0,0,0,0|1,1,0]=4 4559 B8R0.20 CNC(OC)C(=O)OC 34a_100102657272_100000101307 [0,2,0,0,0,0|1,1,0]=4 4560 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [0,2,0,0,0,0|1,1,0]=4 4561 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [0,2,0,0,0,0|1,1,0]=4 4562 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [0,2,0,0,0,0|1,1,0]=4 4563 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [0,2,0,0,0,0|1,1,0]=4 4564 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [0,2,0,0,0,0|1,1,0]=4 4565 B8R0.20 COC(=O)C(CN)OC 34a_100000695228_200000210301 [0,2,0,0,0,0|1,1,0]=4 4566 B8R0.20 COC(=O)C(CN)O[13CH3] 34a_100000695228_200025704644 [0,2,0,0,0,0|1,1,0]=4 4567 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [0,2,0,0,0,0|1,1,0]=4 4568 B8R0.20 COC(=O)C(CO)SC 62a_100012276630_200000210301 [0,2,0,0,0,0|1,1,0]=4 4569 B8R0.20 COC(=O)C(CO)SC 62a_200000210301_100012276630 [0,2,0,0,0,0|1,1,0]=4 4570 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_100012276630_200025704644 [0,2,0,0,0,0|1,1,0]=4 4571 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_200025704644_100012276630 [0,2,0,0,0,0|1,1,0]=4 4572 B8R0.20 COC(=O)C(OC)OC 34a_100000036821_200000210301 [0,2,0,0,0,0|1,1,0]=4 4573 B8R0.20 COC(=O)C(OC)OC 34a_100138415774_100000101307 [0,2,0,0,0,0|1,1,0]=4 4574 B8R0.20 COC(=O)C(OC)O[13CH3] 34a_100000036821_200025704644 [0,2,0,0,0,0|1,1,0]=4 4575 B8R0.20 COC(=O)C(OC)SC 62a_100000101307_200000210301 [0,2,0,0,0,0|1,1,0]=4 4576 B8R0.20 COC(=O)C(OC)SC 62a_200000210301_100000101307 [0,2,0,0,0,0|1,1,0]=4 4577 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_100000101307_200025704644 [0,2,0,0,0,0|1,1,0]=4 4578 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_200025704644_100000101307 [0,2,0,0,0,0|1,1,0]=4 4579 B8R0.31 CCCC(C)(CC)SC 62a_200000040151_200000210301 [0,2,0,0,0,0|1,0,1]=4 4580 B8R0.31 CCCC(C)(CC)SC 62a_200000210301_200000040151 [0,2,0,0,0,0|1,0,1]=4 4581 B8R0.31 CCCC(C)(CC)S[13CH3] 62a_200000040151_200025704644 [0,2,0,0,0,0|1,0,1]=4 4582 B8R0.31 CCCC(C)(CC)S[13CH3] 62a_200025704644_200000040151 [0,2,0,0,0,0|1,0,1]=4 4583 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,1,0,0|2,0,0]=4 4584 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,1,0,0|2,0,0]=4 4585 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,1,0,0|2,0,0]=4 4586 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,1,0,0|2,0,0]=4 4587 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 4588 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 4589 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 4590 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 4591 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 4592 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 4593 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|0,0,0]=2 4594 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|1,0,0]=3 4595 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [1,0,0,1,0,0|2,0,0]=4 4596 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [1,0,0,1,0,0|2,0,0]=4 4597 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [1,0,0,1,0,0|2,0,0]=4 4598 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [1,0,0,1,0,0|2,0,0]=4 4599 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [1,0,0,1,0,0|2,0,0]=4 4600 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|0,0,0]=2 4601 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|1,0,0]=3 4602 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,1,0,0|1,0,1]=4 4603 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,1,0,0|1,0,1]=4 4604 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,1,0,0|1,0,1]=4 4605 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,1,0,0|1,0,1]=4 4606 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [1,0,0,1,0,0|2,0,0]=4 4607 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [1,0,0,1,0,0|1,0,1]=4 4608 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [1,0,0,1,0,0|1,0,1]=4 4609 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [1,0,0,1,0,0|1,0,1]=4 4610 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [1,0,0,1,0,0|1,0,1]=4 4611 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,1,0,0|0,1,1]=4 4612 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,1,0,0|0,1,1]=4 4613 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [1,0,0,1,0,0|1,0,1]=4 4614 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,1,0,0|0,0,1]=3 4615 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [1,0,0,1,0,0|1,0,1]=4 4616 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [1,0,0,1,0,0|1,0,1]=4 4617 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [1,0,0,1,0,0|1,0,1]=4 4618 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,1,0,0|0,1,1]=4 4619 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [1,0,0,1,0,0|1,0,1]=4 4620 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,1,0,0|0,0,1]=3 4621 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [1,0,0,1,0,0|1,0,1]=4 4622 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,1,0,1,0,0|1,0,0]=3 4623 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [0,1,0,1,0,0|1,0,1]=4 4624 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,1,0,1,0,0|1,0,0]=3 4625 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,1,0,0|1,1,0]=4 4626 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,1,0,0|1,0,0]=3 4627 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,1,0,1,0,0|1,0,0]=3 4628 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,1,0,0|1,1,0]=4 4629 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [0,1,0,1,0,0|1,0,1]=4 4630 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,1,0,0|1,1,0]=4 4631 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,1,0,1,0,0|1,0,0]=3 4632 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,1,0,0|1,0,0]=3 4633 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,1,0,1,0,0|1,0,0]=3 4634 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,1,0,0|1,1,0]=4 4635 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,1,0,1,0,0|2,0,0]=4 4636 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,1,0,1,0,0|1,1,0]=4 4637 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,1,0,1,0,0|2,0,0]=4 4638 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,1,0,1,0,0|1,1,0]=4 4639 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,1,0,1,0,0|1,0,1]=4 4640 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,1,0,1,0,0|2,0,0]=4 4641 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [0,1,0,1,0,0|1,0,1]=4 4642 B8R1.40 C#CC(=O)CC1CO1 1458a_100000211873_100011216344 [0,1,0,1,0,0|1,0,1]=4 4643 B8R1.40 C#CC(=O)CC1CS1 1458a_100000211873_100000031435 [0,1,0,1,0,0|1,0,1]=4 4644 B8R1.40 C#CC(=O)C[C@@H]1CO1 1458a_100000211873_100000745022 [0,1,0,1,0,0|1,0,1]=4 4645 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [0,1,0,1,0,0|1,0,1]=4 4646 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [0,1,0,1,0,0|1,0,1]=4 4647 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [0,1,0,1,0,0|1,0,1]=4 4648 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [0,1,0,1,0,0|1,0,1]=4 4649 B8R1.40 C=CC(=O)NC1CC1 1626a_100000212008_100000185746 [0,1,0,1,0,0|1,0,1]=4 4650 B8R1.40 C=CC(=O)NC1CC1 240690a_100000212008_200121576911 [0,1,0,1,0,0|1,0,1]=4 4651 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,1,0,1,0,0|1,0,0]=3 4652 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,1,0,1,0,0|1,0,0]=3 4653 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,1,0,1,0,0|1,0,0]=3 4654 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,1,0,1,0,0|1,0,0]=3 4655 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,1,0,1,0,0|1,0,0]=3 4656 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,1,0,1,0,0|1,0,0]=3 4657 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,1,0,1,0,0|1,0,0]=3 4658 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,1,0,1,0,0|1,0,0]=3 4659 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [0,1,0,1,0,0|1,0,0]=3 4660 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [0,1,0,1,0,0|1,0,0]=3 4661 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [0,1,0,1,0,0|1,0,0]=3 4662 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [0,1,0,1,0,0|1,0,0]=3 4663 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [0,1,0,1,0,0|1,0,0]=3 4664 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [0,1,0,1,0,0|1,0,0]=3 4665 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [0,1,0,1,0,0|1,0,0]=3 4666 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [0,1,0,1,0,0|1,0,0]=3 4667 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [0,1,0,1,0,0|1,0,0]=3 4668 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,1,0,1,0,0|2,0,0]=4 4669 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,1,0,1,0,0|2,0,0]=4 4670 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [0,1,0,1,0,0|2,0,0]=4 4671 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [0,1,0,1,0,0|2,0,0]=4 4672 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [0,1,0,1,0,0|2,0,0]=4 4673 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,1,0,1,0,0|2,0,0]=4 4674 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,1,0,1,0,0|2,0,0]=4 4675 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,1,0,1,0,0|2,0,0]=4 4676 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,1,0,1,0,0|1,0,0]=3 4677 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,1,0,1,0,0|1,0,0]=3 4678 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [0,1,0,1,0,0|1,0,0]=3 4679 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [0,1,0,1,0,0|1,0,0]=3 4680 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [0,1,0,1,0,0|1,0,0]=3 4681 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [0,1,0,1,0,0|1,0,0]=3 4682 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [0,1,0,1,0,0|1,0,0]=3 4683 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [0,1,0,1,0,0|1,0,0]=3 4684 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [0,1,0,1,0,0|0,1,0]=3 4685 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [0,1,0,1,0,0|0,1,0]=3 4686 B8R1.83 O=C(CF)[C@@H]1C[C@@H]1F 1458a_100015396687_100015361967 [0,1,0,1,0,0|2,0,0]=4 4687 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,1,0,1,0,0|1,0,1]=4 4688 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,1,0,1,0,0|1,0,1]=4 4689 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,1,0,1,0,0|1,0,1]=4 4690 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,1,0,1,0,0|1,0,1]=4 4691 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [0,1,0,1,0,0|0,0,2]=4 4692 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [0,1,0,1,0,0|1,0,1]=4 4693 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,1,0,1,0,0|1,0,1]=4 4694 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,1,0,1,0,0|1,0,1]=4 4695 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,1,0,1,0,0|1,0,1]=4 4696 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,1,0,1,0,0|1,0,1]=4 4697 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,1,0,1,0,0|1,0,1]=4 4698 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [0,1,0,1,0,0|0,0,2]=4 4699 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [0,1,0,1,0,0|1,0,1]=4 4700 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,1,0,1,0,0|1,0,1]=4 4701 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,1,0,1,0,0|2,0,0]=4 4702 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,1,0,1,0,0|2,0,0]=4 4703 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,1,0,1,0,0|2,0,0]=4 4704 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,1,0,1,0,0|2,0,0]=4 4705 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,1,0,1,0,0|2,0,0]=4 4706 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,1,0,1,0,0|2,0,0]=4 4707 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,1,0,1,0,0|2,0,0]=4 4708 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,1,0,1,0,0|2,0,0]=4 4709 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,1,0,1,0,0|2,0,0]=4 4710 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,1,0,1,0,0|2,0,0]=4 4711 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,1,0,1,0,0|2,0,0]=4 4712 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,1,0,1,0,0|2,0,0]=4 4713 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,1,0,1,0,0|2,0,0]=4 4714 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,1,0,1,0,0|2,0,0]=4 4715 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,1,0,1,0,0|2,0,0]=4 4716 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,1,0,1,0,0|2,0,0]=4 4717 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|1,0,0]=3 4718 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,1,0,0|1,0,0]=3 4719 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,1,0,0|1,0,0]=3 4720 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,1,0,1,0,0|2,0,0]=4 4721 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,1,0,1,0,0|2,0,0]=4 4722 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,1,0,1,0,0|1,0,1]=4 4723 B8R1.38 C#CC(=O)C1COC1 1458a_100000211873_100000687716 [0,1,0,1,0,0|1,0,1]=4 4724 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,1,0,1,0,0|1,0,1]=4 4725 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [0,1,0,1,0,0|1,0,1]=4 4726 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [0,1,0,1,0,0|1,0,1]=4 4727 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,1,0,0|1,0,0]=3 4728 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,1,0,0|1,0,0]=3 4729 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,1,0,0|1,0,0]=3 4730 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,1,0,1,0,0|1,0,0]=3 4731 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,1,0,1,0,0|1,0,0]=3 4732 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,1,0,1,0,0|1,0,0]=3 4733 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,1,0,1,0,0|1,0,0]=3 4734 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,1,0,1,0,0|1,0,0]=3 4735 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,1,0,1,0,0|1,0,0]=3 4736 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 4737 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 4738 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 4739 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,1,0,1,0,0|1,0,0]=3 4740 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,1,0,1,0,0|1,0,0]=3 4741 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,1,0,1,0,0|1,0,0]=3 4742 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,1,0,1,0,0|1,0,0]=3 4743 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,1,0,1,0,0|1,0,0]=3 4744 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,1,0,1,0,0|1,0,0]=3 4745 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,1,0,1,0,0|1,0,0]=3 4746 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,1,0,1,0,0|1,0,0]=3 4747 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,1,0,1,0,0|1,0,0]=3 4748 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,1,0,1,0,0|1,0,0]=3 4749 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,1,0,1,0,0|2,0,0]=4 4750 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,1,0,1,0,0|2,0,0]=4 4751 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [0,1,0,1,0,0|2,0,0]=4 4752 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,1,0,0|2,0,0]=4 4753 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,1,0,1,0,0|2,0,0]=4 4754 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,1,0,0|2,0,0]=4 4755 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,1,0,0|2,0,0]=4 4756 B8R1.47 CCN1CC(C1)SC 269982a_100016990038_100000204670 [0,1,0,1,0,0|1,0,1]=4 4757 B8R1.47 CSC1CC(C1)CO 62a_100009874164_200000210301 [0,1,0,1,0,0|1,0,1]=4 4758 B8R1.47 CSC1CC(C1)CO 62a_200000210301_100009874164 [0,1,0,1,0,0|1,0,1]=4 4759 B8R1.47 [13CH3]SC1CC(C1)CO 62a_100009874164_200025704644 [0,1,0,1,0,0|1,0,1]=4 4760 B8R1.47 [13CH3]SC1CC(C1)CO 62a_200025704644_100009874164 [0,1,0,1,0,0|1,0,1]=4 4761 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,1,0,1,0,0|2,0,0]=4 4762 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,1,0,1,0,0|2,0,0]=4 4763 B8R1.37 C#CCC(=O)C1CC1 1458a_100000210395_100000184674 [0,1,0,1,0,0|1,0,1]=4 4764 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [0,1,0,1,0,0|1,0,1]=4 4765 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,1,0,1,0,0|1,0,0]=3 4766 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,1,0,1,0,0|0,1,0]=3 4767 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [0,1,0,1,0,0|1,0,0]=3 4768 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [0,1,0,1,0,0|1,0,0]=3 4769 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [0,1,0,1,0,0|1,0,0]=3 4770 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,1,0,1,0,0|1,1,0]=4 4771 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,1,0,1,0,0|1,1,0]=4 4772 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,1,0,1,0,0|1,1,0]=4 4773 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [0,1,0,1,0,0|1,0,0]=3 4774 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [0,1,0,1,0,0|1,0,0]=3 4775 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [0,1,0,1,0,0|1,0,0]=3 4776 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [0,1,0,1,0,0|1,0,0]=3 4777 B8R1.37 CNNC(=O)C1CO1 22a_100016993582_100000701028 [0,1,0,1,0,0|2,0,0]=4 4778 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [0,1,0,1,0,0|0,1,0]=3 4779 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [0,1,0,1,0,0|0,1,0]=3 4780 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [0,1,0,1,0,0|0,0,0]=2 4781 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [0,1,0,1,0,0|0,0,0]=2 4782 B8R1.37 CSCN(C)C1CC1 2230a_100000226674_100011218213 [0,1,0,1,0,0|2,0,0]=4 4783 B8R1.37 CSCN(C)C1CC1 269982a_100000226674_100011218213 [0,1,0,1,0,0|2,0,0]=4 4784 B8R1.37 N#CCC(=O)C1CC1 1458a_100000210395_100011214920 [0,1,0,1,0,0|1,0,1]=4 4785 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [0,1,0,1,0,0|1,0,0]=3 4786 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [0,1,0,1,0,0|1,1,0]=4 4787 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [0,1,0,1,0,0|1,0,0]=3 4788 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [0,1,0,1,0,0|1,1,0]=4 4789 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [0,1,0,1,0,0|0,1,0]=3 4790 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [0,1,0,1,0,0|0,0,0]=2 4791 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [0,1,0,1,0,0|0,0,0]=2 4792 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [0,1,0,1,0,0|1,0,0]=3 4793 B8R1.54 CC(C)C(=O)C1CO1 1458a_100000701028_100000210206 [0,1,0,1,0,0|2,0,0]=4 4794 B8R1.54 CN(C)C(=O)C1CC1 11a_100102631434_100000210395 [0,1,0,1,0,0|1,0,0]=3 4795 B8R1.54 CN(C)C(=O)C1CC1 1626a_100102631434_100000210395 [0,1,0,1,0,0|1,0,0]=3 4796 B8R1.54 CN(C)C(=O)C1CC1 240690a_100102631434_100000210395 [0,1,0,1,0,0|1,0,0]=3 4797 B8R1.54 CN(C)C(=O)C1CC1 527a_100102631434_100000210395 [0,1,0,1,0,0|1,0,0]=3 4798 B8R1.54 CN(C)C(=O)C1CO1 11a_100102631434_100000701028 [0,1,0,1,0,0|2,0,0]=4 4799 B8R1.54 CN(C)C(=O)C1CO1 1626a_100102631434_100000701028 [0,1,0,1,0,0|2,0,0]=4 4800 B8R1.54 CN(C)C(=O)C1CO1 240690a_100102631434_100000701028 [0,1,0,1,0,0|2,0,0]=4 4801 B8R1.54 CN(C)C(=O)C1CO1 527a_100102631434_100000701028 [0,1,0,1,0,0|2,0,0]=4 4802 B8R1.6 CSCN1CC(C1)C 2230a_100000702820_100011218213 [0,1,0,1,0,0|2,0,0]=4 4803 B8R1.6 CSCN1CC(C1)C 269982a_100000702820_100011218213 [0,1,0,1,0,0|2,0,0]=4 4804 B8R1.6 CSCN1CC(C1)C 34a_100000702820_100011218213 [0,1,0,1,0,0|2,0,0]=4 4805 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [0,1,0,1,0,0|2,0,0]=4 4806 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [0,1,0,1,0,0|2,0,0]=4 4807 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,1,0,1,0,0|1,0,1]=4 4808 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,1,0,1,0,0|1,0,1]=4 4809 B8R1.8 CSCC1=NCCN1 62a_100000737910_200000210301 [0,1,0,1,0,0|2,0,0]=4 4810 B8R1.8 CSCC1=NCCN1 62a_200000210301_100000737910 [0,1,0,1,0,0|2,0,0]=4 4811 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,1,0,1,0,0|1,0,1]=4 4812 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,1,0,1,0,0|1,0,1]=4 4813 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,1,0,1,0,0|0,0,2]=4 4814 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,1,0,1,0,0|0,0,2]=4 4815 B8R1.8 CSCN1CCCC1 2230a_100000188435_100011218213 [0,1,0,1,0,0|2,0,0]=4 4816 B8R1.8 CSCN1CCCC1 269982a_100000188435_100011218213 [0,1,0,1,0,0|2,0,0]=4 4817 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [0,1,0,1,0,0|1,0,1]=4 4818 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [0,1,0,1,0,0|1,0,1]=4 4819 B8R1.8 [13CH3]SCC1=NCCN1 62a_100000737910_200025704644 [0,1,0,1,0,0|2,0,0]=4 4820 B8R1.8 [13CH3]SCC1=NCCN1 62a_200025704644_100000737910 [0,1,0,1,0,0|2,0,0]=4 4821 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,1,0,1,0,0|1,0,1]=4 4822 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,1,0,1,0,0|1,0,1]=4 4823 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,1,0,1,0,0|0,0,2]=4 4824 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,1,0,1,0,0|0,0,2]=4 4825 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,1,0,0|1,0,0]=3 4826 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,1,0,0|1,0,0]=3 4827 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,1,0,0|1,0,0]=3 4828 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,1,0,0|2,0,0]=4 4829 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,1,0,0|2,0,0]=4 4830 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|1,1,0]=4 4831 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|1,1,0]=4 4832 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|1,1,0]=4 4833 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,1,0,1,0,0|1,1,0]=4 4834 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,1,0,1,0,0|1,1,0]=4 4835 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|0,1,0]=3 4836 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|0,1,0]=3 4837 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,1,0,0|1,1,0]=4 4838 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,1,0,0|1,1,0]=4 4839 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|0,0,0]=2 4840 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|0,0,0]=2 4841 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,1,0,0|1,0,0]=3 4842 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,1,0,0|1,0,0]=3 4843 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,1,0,0|0,0,2]=4 4844 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,1,0,0|0,0,2]=4 4845 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,1,0,0|2,0,0]=4 4846 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,1,0,0|2,0,0]=4 4847 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,1,0,1,0,0|1,1,0]=4 4848 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,1,0,1,0,0|1,1,0]=4 4849 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|0,1,0]=3 4850 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,1,0,0|1,1,0]=4 4851 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|0,0,0]=2 4852 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|0,0,0]=2 4853 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,1,0,0|1,0,0]=3 4854 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,1,0,0|1,0,0]=3 4855 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,1,0,0|0,0,2]=4 4856 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,1,0,0|0,0,2]=4 4857 B8R1.66 CC1(CCC1)CS[13CH3] 62a_100000726658_200025704644 [0,1,0,1,0,0|1,0,1]=4 4858 B8R1.66 CC1(CCC1)CS[13CH3] 62a_200025704644_100000726658 [0,1,0,1,0,0|1,0,1]=4 4859 B8R1.66 CSCC1(CCC1)C 62a_100000726658_200000210301 [0,1,0,1,0,0|1,0,1]=4 4860 B8R1.66 CSCC1(CCC1)C 62a_200000210301_100000726658 [0,1,0,1,0,0|1,0,1]=4 4861 B8R1.39 CC1(CC1)C(=O)CF 1458a_100000756474_100015361967 [0,1,0,1,0,0|2,0,0]=4 4862 B8R1.39 CCC(=O)C1(CC1)C 1458a_100000756474_100000210202 [0,1,0,1,0,0|1,0,0]=3 4863 B8R1.39 CCC(=O)C1(CC1)F 1458a_100000055089_100000210202 [0,1,0,1,0,0|1,0,0]=3 4864 B8R1.39 CCC(=O)C1(CC1)O 1458a_100000241761_100000210202 [0,1,0,1,0,0|1,0,0]=3 4865 B8R1.39 CNC(=O)C1(CC1)C 11a_106832991635_100000756474 [0,1,0,1,0,0|1,0,0]=3 4866 B8R1.39 CNC(=O)C1(CC1)C 1626a_100102657272_100000756474 [0,1,0,1,0,0|1,0,0]=3 4867 B8R1.39 CNC(=O)C1(CC1)C 240690a_100102657272_100000756474 [0,1,0,1,0,0|1,0,0]=3 4868 B8R1.39 CNC(=O)C1(CC1)C 527a_100102657272_100000756474 [0,1,0,1,0,0|1,0,0]=3 4869 B8R1.39 CNC(=O)C1(CC1)F 11a_106832991635_100000055089 [0,1,0,1,0,0|1,0,0]=3 4870 B8R1.39 CNC(=O)C1(CC1)F 1626a_100102657272_100000055089 [0,1,0,1,0,0|1,0,0]=3 4871 B8R1.39 CNC(=O)C1(CC1)F 240690a_100102657272_100000055089 [0,1,0,1,0,0|1,0,0]=3 4872 B8R1.39 CNC(=O)C1(CC1)F 527a_100102657272_100000055089 [0,1,0,1,0,0|1,0,0]=3 4873 B8R1.39 CNC(=O)C1(CC1)O 240690a_100102657272_100000241761 [0,1,0,1,0,0|1,0,0]=3 4874 B8R1.39 O=C(CF)C1(CC1)F 1458a_100000055089_100015361967 [0,1,0,1,0,0|2,0,0]=4 4875 B8R1.39 O=C(CF)C1(CC1)O 1458a_100000241761_100015361967 [0,1,0,1,0,0|2,0,0]=4 4876 B8R1.28 CNS(=O)(=O)C1CC1 270084a_100102657272_100000750908 [0,1,0,1,0,0|2,0,0]=4 4877 B8R1.28 CNS(=O)(=O)C1CC1 274078a_100102657272_100000750908 [0,1,0,1,0,0|2,0,0]=4