0 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,0,0,0,0,0|1,0,3]=4 11 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,0,0,0,0,0|1,0,3]=4 12 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,0,0,0,0,0|1,0,2]=3 13 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,0,0,0,0,0|1,0,3]=4 18 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,0,0,0,0,0|1,0,2]=3 19 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,0,0,0,0,0|1,0,2]=3 20 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,0,0,0,0,0|1,0,1]=2 27 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,0,0,0,0|1,0,1]=2 32 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,0,0,0,0,0|2,0,1]=3 38 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,0,0,0,0,0|2,0,1]=3 40 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,0,0,0,0,0|2,0,1]=3 41 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,0,0,0,0,0|2,0,0]=2 42 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,0,0,0,0,0|2,0,0]=2 43 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,0,0,0,0,0|2,0,0]=2 44 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,0,0,0,0,0|2,0,0]=2 46 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,0,0,0,0,0|2,0,0]=2 48 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,0,0,0,0,0|2,0,0]=2 49 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,0,0,0,0,0|2,0,0]=2 50 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,0,0,0,0,0|2,0,0]=2 51 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,0,0,0,0,0|2,0,0]=2 52 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,0,0,0,0,0|2,0,0]=2 53 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,0,0,0,0,0|2,0,0]=2 54 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,0,0,0,0,0|3,0,1]=4 56 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,0,0,0,0,0|3,0,1]=4 58 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,0,0,0,0,0|3,0,1]=4 59 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,0,0,0,0,0|3,0,1]=4 60 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,0,0,0,0,0|3,0,1]=4 61 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,0,0,0,0,0|3,0,1]=4 63 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,0,0,0,0,0|3,0,1]=4 64 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,0,0,0,0,0|3,0,1]=4 65 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,0,0,0,0,0|2,0,1]=3 66 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,0,0,0,0,0|2,1,1]=4 67 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,0,0,0,0,0|2,1,1]=4 68 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,0,0,0,0,0|2,0,2]=4 69 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,0,0,0,0,0|2,0,2]=4 70 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,0,0,0,0,0|2,0,2]=4 71 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,0,0,0,0,0|2,0,2]=4 72 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,0,0,0,0,0|2,0,2]=4 73 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,0,0,0,0,0|2,0,2]=4 74 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,0,0,0,0,0|2,0,2]=4 75 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,0,0,0,0,0|2,0,2]=4 76 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,0,0,0,0,0|2,0,2]=4 77 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,0,0,0,0,0|2,0,2]=4 78 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,0,0,0,0|1,0,0]=1 79 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,0,0,0,0|1,0,0]=1 80 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,0,0,0,0,0|2,0,0]=2 81 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,0,0,0,0,0|2,0,0]=2 82 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,0,0,0,0,0|2,0,0]=2 83 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,0,0,0,0,0|2,0,0]=2 84 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,0,0,0,0,0|2,0,0]=2 85 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,0,0,0,0,0|2,0,0]=2 86 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,0,0,0,0,0|3,0,1]=4 87 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,0,0,0,0,0|3,0,1]=4 88 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,0,0,0,0,0|3,0,1]=4 89 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,0,0,0,0,0|3,0,1]=4 90 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,0,0,0,0,0|3,0,1]=4 91 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,0,0,0,0,0|3,0,1]=4 92 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,0,0,0,0,0|3,0,1]=4 93 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,0,0,0,0,0|3,0,1]=4 94 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,0,0,0,0,0|3,0,1]=4 95 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,0,0,0,0,0|3,0,1]=4 96 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,0,0,0,0,0|3,0,1]=4 97 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,0,0,0,0,0|3,0,1]=4 98 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,0,0,0,0,0|3,0,1]=4 99 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,0,0,0,0,0|3,0,1]=4 100 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,0,0,0,0,0|3,0,1]=4 101 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,0,0,0,0,0|3,0,0]=3 102 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,0,0,0,0,0|3,0,0]=3 103 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,0,0,0,0,0|3,0,0]=3 104 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,0,0,0,0,0|3,0,0]=3 105 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,0,0,0,0,0|3,0,0]=3 106 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,0,0,0,0,0|3,0,0]=3 107 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,0,0,0,0,0|4,0,0]=4 108 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,0,0,0,0,0|3,0,0]=3 109 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,0,0,0,0,0|3,0,0]=3 110 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,0,0,0,0,0|4,0,0]=4 111 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,0,0,0,0,0|4,0,0]=4 112 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,0,0,0,0,0|4,0,0]=4 113 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,0,0,0,0,0|4,0,0]=4 114 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,0,0,0,0,0|4,0,0]=4 115 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,0,0,0,0,0|4,0,0]=4 116 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,0,0,0,0,0|4,0,0]=4 117 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,0,0,0,0,0|4,0,0]=4 118 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,0,0,0,0,0|4,0,0]=4 119 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,0,0,0,0,0|4,0,0]=4 120 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,0,0,0,0,0|4,0,0]=4 121 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,0,0,0,0,0|4,0,0]=4 122 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,0,0,0,0,0|4,0,0]=4 123 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,0,0,0,0,0|4,0,0]=4 124 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,0,0,0,0,0|1,0,0]=1 125 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,0,0,0,0|1,0,0]=1 126 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,0,0,0,0|1,0,0]=1 127 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,0,0,0,0,0|2,0,0]=2 128 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,0,0,0,0,0|2,0,0]=2 129 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,0,0,0,0|2,0,0]=2 130 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,0,0,0,0|2,0,0]=2 131 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,0,0,0,0|2,0,0]=2 132 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,0,0,0,0|2,0,0]=2 133 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,0,0,0,0|2,0,0]=2 134 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,0,0,0,0,0|2,0,0]=2 135 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,0,0,0,0,0|2,0,1]=3 136 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,0,0,0,0,0|2,0,1]=3 137 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,0,0,0,0,0|3,0,1]=4 138 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,0,0,0,0,0|3,0,1]=4 139 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,0,0,0,0,0|2,0,2]=4 140 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,0,0,0,0,0|1,0,1]=2 141 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,0,0,0,0,0|1,0,1]=2 142 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,0,0,0,0,0|2,0,1]=3 143 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,0,0,0,0,0|2,0,1]=3 144 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,0,0,0,0,0|2,0,1]=3 145 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,0,0,0,0,0|2,0,1]=3 146 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,0,0,0,0,0|1,1,1]=3 147 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,0,0,0,0,0|1,1,1]=3 148 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,0,0,0,0,0|2,1,1]=4 149 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,0,0,0,0,0|2,1,1]=4 150 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,0,0,0,0,0|2,1,1]=4 151 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,0,0,0,0,0|2,1,1]=4 152 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,0,0,0,0,0|2,1,1]=4 153 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,0,0,0,0,0|3,0,1]=4 154 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,0,0,0,0,0|3,0,1]=4 155 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,0,0,0,0,0|3,0,1]=4 156 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,0,0,0,0,0|3,0,1]=4 157 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,0,0,0,0,0|3,0,1]=4 158 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,0,0,0,0,0|3,0,1]=4 159 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,0,0,0,0,0|3,0,1]=4 160 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,0,0,0,0,0|3,0,1]=4 161 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,0,0,0,0,0|3,0,1]=4 162 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,0,0,0,0,0|3,0,1]=4 163 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,0,0,0,0,0|3,0,1]=4 164 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,0,0,0,0,0|3,0,1]=4 165 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,0,0,0,0,0|3,0,1]=4 166 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,0,0,0,0,0|3,0,1]=4 167 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,0,0,0,0,0|3,0,1]=4 168 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,0,0,0,0,0|3,0,1]=4 169 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,0,0,0,0,0|3,0,1]=4 170 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,0,0,0,0,0|3,0,1]=4 171 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,0,0,0,0,0|3,0,0]=3 172 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,0,0,0,0,0|3,0,0]=3 173 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,0,0,0,0,0|3,0,0]=3 174 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,0,0,0,0,0|3,0,0]=3 175 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,0,0,0,0,0|3,0,0]=3 176 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,0,0,0,0,0|3,0,0]=3 177 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,0,0,0,0,0|3,0,0]=3 178 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,0,0,0,0,0|3,0,0]=3 179 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,0,0,0,0,0|3,0,0]=3 180 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,0,0,0,0,0|3,0,0]=3 181 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,0,0,0,0,0|3,0,0]=3 182 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,0,0,0,0,0|3,0,0]=3 183 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,0,0,0,0,0|3,0,0]=3 184 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,0,0,0,0,0|3,0,0]=3 185 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,0,0,0,0,0|3,0,0]=3 186 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,0,0,0,0,0|3,0,0]=3 187 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,0,0,0,0,0|3,0,0]=3 188 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,0,0,0,0,0|3,0,0]=3 189 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,0,0,0,0,0|3,0,0]=3 190 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,0,0,0,0,0|3,0,0]=3 191 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,0,0,0,0,0|3,0,0]=3 192 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,0,0,0,0,0|3,0,0]=3 193 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,0,0,0,0,0|3,0,0]=3 194 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,0,0,0,0,0|3,0,0]=3 195 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,0,0,0,0,0|3,0,0]=3 196 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,0,0,0,0,0|3,0,0]=3 197 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,0,0,0,0,0|3,0,0]=3 198 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,0,0,0,0,0|3,0,0]=3 199 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,0,0,0,0,0|3,0,0]=3 200 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,0,0,0,0,0|3,0,0]=3 201 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,0,0,0,0,0|3,0,0]=3 202 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,0,0,0,0,0|3,0,0]=3 203 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,0,0,0,0,0|3,0,0]=3 204 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,0,0,0,0,0|3,0,0]=3 205 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,0,0,0,0,0|3,0,0]=3 206 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,0,0,0,0,0|3,0,1]=4 207 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,0,0,0,0,0|3,0,1]=4 208 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,0,0,0,0,0|3,0,1]=4 209 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,0,0,0,0,0|3,0,1]=4 210 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,0,0,0,0,0|3,0,1]=4 211 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,0,0,0,0,0|3,0,0]=3 212 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,0,0,0,0,0|3,0,0]=3 213 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,0,0,0,0,0|3,0,0]=3 214 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,0,0,0,0|1,0,2]=4 215 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,0,0,0,0|1,0,2]=4 216 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,0,0,0,0|1,0,2]=4 217 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|3,0,0]=4 218 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|3,0,0]=4 219 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|3,0,0]=4 220 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|3,0,0]=4 221 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|3,0,0]=4 222 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|3,0,0]=4 223 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|3,0,0]=4 224 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|3,0,0]=4 225 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|3,0,0]=4 226 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|3,0,0]=4 227 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|1,0,2]=4 228 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|1,0,2]=4 229 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|1,0,2]=4 230 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|1,0,1]=3 231 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|1,0,1]=3 232 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|2,0,1]=4 233 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|2,0,1]=4 234 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|2,0,1]=4 235 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,0,0,0,0|2,0,1]=4 236 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,0,0,0,0|2,0,1]=4 237 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|2,0,0]=3 238 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|2,0,0]=3 239 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|2,0,0]=3 240 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|2,0,0]=3 241 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,0,0,0,0,0|2,0,1]=4 242 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|1,0,1]=3 243 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|1,0,1]=3 244 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|1,0,0]=2 245 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|1,0,0]=2 246 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|1,0,0]=2 247 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|3,0,0]=4 248 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|3,0,0]=4 249 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|3,0,0]=4 250 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|3,0,0]=4 251 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|3,0,0]=4 252 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|3,0,0]=4 253 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|1,0,0]=2 254 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|1,0,0]=2 255 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|1,0,0]=2 256 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,0,0,0,0|2,0,1]=4 257 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,0,0,0,0|2,0,1]=4 258 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,0,0,0,0|2,0,1]=4 259 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|1,0,1]=3 260 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|1,0,1]=3 261 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,0,0,0,0|1,1,1]=4 262 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,0,0,0,0|1,1,1]=4 263 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|3,0,0]=4 264 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|3,0,0]=4 265 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|3,0,0]=4 266 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|3,0,0]=4 267 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|3,0,0]=4 268 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|3,0,0]=4 269 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|2,0,0]=3 270 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|2,0,0]=3 271 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|2,0,0]=3 272 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|3,0,0]=4 273 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|2,0,0]=3 274 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|3,0,0]=4 275 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|2,0,0]=3 276 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|3,0,0]=4 277 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|3,0,0]=4 278 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|2,0,0]=3 279 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|3,0,0]=4 280 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|3,0,0]=4 281 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|2,0,1]=4 282 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|2,0,1]=4 283 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|2,0,1]=4 284 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,0,0,0,0|2,0,1]=4 285 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|2,0,0]=3 286 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|3,0,0]=4 287 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|3,0,0]=4 288 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|3,0,0]=4 289 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|3,0,0]=4 290 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|3,0,0]=4 291 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|3,0,0]=4 292 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,0,0,0,0,0|0,0,3]=4 293 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,0,0,0,0,0|0,0,3]=4 294 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,0,0,0,0|2,0,1]=4 295 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,0,0,0,0|2,0,1]=4 296 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,0,0,0,0|2,0,1]=4 297 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,0,0,0,0|2,0,1]=4 298 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,0,0,0,0|2,0,1]=4 299 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,0,0,0,0|2,0,1]=4 300 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,0,0,0,0|2,0,1]=4 301 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,0,0,0,0|2,0,1]=4 302 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,0,0,0,0|2,0,1]=4 303 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|0,0,3]=4 304 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|0,0,3]=4 305 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 306 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,0,0,0,0|2,0,1]=4 307 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 308 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,0,0,0,0|2,0,1]=4 309 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,0,0,0,0|2,0,1]=4 310 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,0,0,0,0|2,0,1]=4 311 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,0,0,0,0|2,0,1]=4 312 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,0,0,0,0|2,0,1]=4 313 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|2,0,1]=4 314 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|2,0,1]=4 315 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|2,0,1]=4 316 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|2,0,1]=4 317 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|2,0,1]=4 318 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|2,0,1]=4 319 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|2,0,1]=4 320 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|2,0,1]=4 321 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|2,0,1]=4 322 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|2,0,1]=4 323 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|2,0,1]=4 324 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|2,0,1]=4 325 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|2,0,1]=4 326 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|2,0,1]=4 327 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|2,0,1]=4 328 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|2,0,1]=4 329 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|2,0,1]=4 330 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,0,0,0,0|1,0,1]=3 331 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,0,0,0,0|0,0,1]=2 332 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,0,0,0,0|0,0,1]=2 333 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,0,0,0,0|1,0,1]=3 334 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,0,0,0,0|0,1,1]=3 335 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,0,0,0,0|0,1,1]=3 336 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,0,0,0,0|1,1,1]=4 337 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,0,0,0,0|1,1,1]=4 338 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,0,0,0,0|2,0,1]=4 339 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,0,0,0,0|2,0,1]=4 340 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,0,0,0,0|2,0,1]=4 341 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,0,0,0,0|2,0,1]=4 342 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,0,0,0,0|2,0,1]=4 343 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,0,0,0,0|2,0,1]=4 344 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,0,0,0,0|2,0,1]=4 345 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|1,0,2]=4 346 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,0,0,0,0|1,0,1]=3 347 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,0,0,0,0|1,0,1]=3 348 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,0,0,0,0|1,0,1]=3 349 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,0,0,0,0|1,0,1]=3 350 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,0,0,0,0|1,0,1]=3 351 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,0,0,0,0|1,0,1]=3 352 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,0,0,0,0|1,0,1]=3 353 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,0,0,0,0|1,0,1]=3 354 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,0,0,0,0|1,0,1]=3 355 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,0,0,0,0|1,1,1]=4 356 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,0,0,0,0|1,1,1]=4 357 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,0,0,0,0|1,1,1]=4 358 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,0,0,0,0|1,1,1]=4 359 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,0,0,0,0|1,1,1]=4 360 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,0,0,0,0|1,1,1]=4 361 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,0,0,0,0|1,1,1]=4 362 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,0,0,0,0|1,1,1]=4 363 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [1,0,0,0,0,0|2,0,1]=4 364 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,0,0,0,0,0|2,0,1]=4 365 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,0,0,0,0|0,0,2]=3 366 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [1,0,0,0,0,0|1,0,2]=4 367 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,0,0,0,0|0,0,2]=3 368 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,0,0,0,0|1,0,2]=4 369 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,0,0,0,0|1,0,2]=4 370 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,0,0,0,0|1,0,2]=4 371 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,0,0,0,0|2,0,1]=4 372 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,0,0,0,0|2,0,1]=4 373 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 374 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,0,0,0,0|0,0,0]=1 375 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,0,0,0,0|1,0,0]=2 376 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|1,0,0]=2 377 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,0,0,0,0|1,0,0]=2 378 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,0,0,0,0|1,0,0]=2 379 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,0,0,0,0|1,0,0]=2 380 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,0,0,0,0|1,0,0]=2 381 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|2,0,1]=4 382 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|2,0,1]=4 383 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|2,0,1]=4 384 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|2,0,1]=4 385 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|2,0,1]=4 386 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|1,0,1]=3 387 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|1,0,1]=3 388 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|1,0,1]=3 389 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|1,1,1]=4 390 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|1,1,1]=4 391 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|1,1,1]=4 392 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|1,1,1]=4 393 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|2,0,0]=3 394 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|2,0,0]=3 395 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|2,0,0]=3 396 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|2,0,0]=3 397 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|2,0,0]=3 398 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,0,0,0,0,0|3,0,0]=4 399 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|2,0,0]=3 400 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|2,0,0]=3 401 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|2,0,0]=3 402 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,0,0,0,0|2,0,0]=3 403 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,0,0,0,0|2,0,0]=3 404 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,0,0,0,0|2,0,0]=3 405 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,0,0,0,0|2,0,0]=3 406 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,0,0,0,0|2,0,0]=3 407 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,0,0,0,0|2,0,1]=4 408 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,0,0,0,0|2,0,1]=4 409 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 410 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,0,0,0,0|2,0,1]=4 411 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,0,0,0,0|2,0,1]=4 412 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,0,0,0,0|2,0,1]=4 413 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,0,0,0,0|2,0,1]=4 414 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,0,0,0,0|2,0,1]=4 415 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,0,0,0,0,0|2,0,0]=3 416 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,1,0,0,0,0|1,0,2]=4 417 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [0,1,0,0,0,0|1,0,2]=4 418 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,0,0,0,0|1,0,1]=3 419 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,1,0,0,0,0|1,0,2]=4 421 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,1,0,0,0,0|1,0,2]=4 422 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,1,0,0,0,0|1,0,2]=4 423 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,1,0,0,0,0|1,0,2]=4 424 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,1,0,0,0,0|1,0,2]=4 425 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,1,0,0,0,0|2,0,1]=4 426 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [0,1,0,0,0,0|2,0,1]=4 427 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [0,1,0,0,0,0|2,0,1]=4 428 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,1,0,0,0,0|2,0,0]=3 429 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,1,0,0,0,0|2,0,0]=3 430 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,1,0,0,0,0|2,0,0]=3 431 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,1,0,0,0,0|2,0,0]=3 432 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,1,0,0,0,0|2,0,1]=4 433 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,1,0,0,0,0|2,0,1]=4 434 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,1,0,0,0,0|2,0,1]=4 435 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,1,0,0,0,0|2,0,0]=3 437 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,1,0,0,0,0|2,0,1]=4 438 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,1,0,0,0,0|2,0,1]=4 439 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,0,0,0,0|1,0,1]=3 440 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,1,0,0,0,0|1,0,1]=3 441 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,1,0,0,0,0|1,0,1]=3 442 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,1,0,0,0,0|2,0,1]=4 443 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,0,0,0,0|1,0,1]=3 444 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,1,0,0,0,0|2,0,1]=4 445 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,1,0,0,0,0|2,0,1]=4 446 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,1,0,0,0,0|2,0,1]=4 447 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,0,0,0,0|1,0,0]=2 448 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,0,0,0,0|1,0,0]=2 449 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,1,0,0,0,0|1,0,0]=2 450 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,1,0,0,0,0|2,0,0]=3 451 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,1,0,0,0,0|2,0,0]=3 452 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,1,0,0,0,0|2,0,0]=3 453 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,1,0,0,0,0|1,0,0]=2 454 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,1,0,0,0,0|3,0,0]=4 455 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,1,0,0,0,0|2,0,0]=3 456 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,0,0,0,0|1,0,0]=2 457 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,0,0,0,0|1,0,0]=2 458 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,0,0,0,0|1,0,0]=2 459 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,0,0,0,0|1,0,0]=2 460 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,1,0,0,0,0|2,0,1]=4 461 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,1,0,0,0,0|2,0,1]=4 462 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,1,0,0,0,0|2,0,1]=4 463 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,1,0,0,0,0|1,0,1]=3 464 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,1,0,0,0,0|1,0,1]=3 465 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,1,0,0,0,0|1,1,1]=4 466 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,1,0,0,0,0|1,1,1]=4 467 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,1,0,0,0,0|3,0,0]=4 468 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,1,0,0,0,0|3,0,0]=4 469 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,1,0,0,0,0|3,0,0]=4 470 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,1,0,0,0,0|3,0,0]=4 471 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,1,0,0,0,0|3,0,0]=4 472 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,1,0,0,0,0|3,0,0]=4 473 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,1,0,0,0,0|3,0,0]=4 474 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,1,0,0,0,0|3,0,0]=4 475 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,1,0,0,0,0|3,0,0]=4 476 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,1,0,0,0,0|3,0,0]=4 477 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,1,0,0,0,0|3,0,0]=4 478 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,1,0,0,0,0|3,0,0]=4 479 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,1,0,0,0,0|3,0,0]=4 480 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,1,0,0,0,0|3,0,0]=4 481 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,1,0,0,0,0|3,0,0]=4 482 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,1,0,0,0,0|3,0,0]=4 483 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,1,0,0,0,0|3,0,0]=4 484 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,1,0,0,0,0|3,0,0]=4 485 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,1,0,0,0,0|3,0,0]=4 486 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,1,0,0,0,0|2,0,1]=4 487 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,1,0,0,0,0|2,0,1]=4 488 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,1,0,0,0,0|2,0,1]=4 489 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,1,0,0,0,0|2,0,1]=4 490 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,1,0,0,0,0|2,0,1]=4 491 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,1,0,0,0,0|2,0,1]=4 492 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,1,0,0,0,0|2,0,1]=4 493 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,1,0,0,0,0|2,0,1]=4 494 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,1,0,0,0,0|2,0,1]=4 495 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,0,0,0,0|2,0,0]=3 496 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,0,0,0,0|2,0,0]=3 497 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,0,0,0,0|2,0,0]=3 498 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,0,0,0,0|2,0,0]=3 499 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,1,0,0,0,0|3,0,0]=4 500 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,1,0,0,0,0|3,0,0]=4 501 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,1,0,0,0,0|3,0,0]=4 502 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,1,0,0,0,0|3,0,0]=4 503 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,1,0,0,0,0|3,0,0]=4 504 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,1,0,0,0,0|3,0,0]=4 505 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,1,0,0,0,0|3,0,0]=4 506 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,1,0,0,0,0|2,0,0]=3 507 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,1,0,0,0,0|3,0,0]=4 508 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,1,0,0,0,0|3,0,0]=4 509 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,1,0,0,0,0|3,0,0]=4 510 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,1,0,0,0,0|3,0,0]=4 511 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,1,0,0,0,0|2,0,0]=3 512 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,1,0,0,0,0|2,0,0]=3 513 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,1,0,0,0,0|2,0,0]=3 514 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,1,0,0,0,0|2,0,0]=3 515 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,1,0,0,0,0|2,0,0]=3 516 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,1,0,0,0,0|2,0,1]=4 517 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,1,0,0,0,0|2,0,1]=4 518 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,1,0,0,0,0|2,0,1]=4 519 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,1,0,0,0,0|3,0,0]=4 520 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,1,0,0,0,0|3,0,0]=4 521 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,1,0,0,0,0|3,0,0]=4 522 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,1,0,0,0,0|3,0,0]=4 523 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,1,0,0,0,0|2,0,0]=3 524 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,1,0,0,0,0|3,0,0]=4 525 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [0,1,0,0,0,0|3,0,0]=4 526 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,1,0,0,0,0|1,0,2]=4 527 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,1,0,0,0,0|1,0,2]=4 528 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,1,0,0,0,0|1,0,2]=4 529 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,1,0,0,0,0|1,0,2]=4 530 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,1,0,0,0,0|1,0,2]=4 531 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,1,0,0,0,0|1,0,1]=3 532 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,1,0,0,0,0|1,0,1]=3 533 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,1,0,0,0,0|2,0,1]=4 534 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,1,0,0,0,0|2,0,1]=4 535 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,1,0,0,0,0|2,0,1]=4 536 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,1,0,0,0,0|2,0,1]=4 537 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,1,0,0,0,0|2,0,1]=4 538 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,1,0,0,0,0|2,0,1]=4 539 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,1,0,0,0,0|1,0,1]=3 540 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,1,0,0,0,0|1,0,1]=3 541 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,1,0,0,0,0|1,0,1]=3 542 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,1,0,0,0,0|1,0,1]=3 543 B7R0.3 C#CCNC(=O)CO 240690a_100000212058_100000210174 [0,1,0,0,0,0|2,0,1]=4 544 B7R0.3 C#CCNC(=O)CO 527a_100000212058_100000210174 [0,1,0,0,0,0|2,0,1]=4 545 B7R0.3 C#CCNC(=O)NC 2708a_100000212058_106832991635 [0,1,0,0,0,0|2,0,1]=4 546 B7R0.3 C#CCNC(=O)NC 2708a_100102657272_100000212058 [0,1,0,0,0,0|2,0,1]=4 547 B7R0.3 C#CCNC(=O)NC 273464a_100000212058_100102657272 [0,1,0,0,0,0|2,0,1]=4 548 B7R0.3 C#CCNC(=O)NC 273464a_100102657272_100000212058 [0,1,0,0,0,0|2,0,1]=4 549 B7R0.3 C#CCNC(=O)NC 512a_100000212058_100102657272 [0,1,0,0,0,0|2,0,1]=4 550 B7R0.3 C#CCNC(=O)NC 512a_106832991638_100000212058 [0,1,0,0,0,0|2,0,1]=4 551 B7R0.3 C#CCOC(C)CC 34a_100000210247_100011215416 [0,1,0,0,0,0|1,0,2]=4 552 B7R0.3 C#CCOC(C)CC 7a_100000210228_100000038162 [0,1,0,0,0,0|1,0,2]=4 553 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,1,0,0,0,0|1,0,1]=3 554 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,1,0,0,0,0|2,0,1]=4 555 B7R0.3 C=C(C#N)COCC 34a_100121572206_100000694840 [0,1,0,0,0,0|2,0,1]=4 556 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,1,0,0,0,0|1,0,2]=4 557 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,1,0,0,0,0|1,0,2]=4 558 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,1,0,0,0,0|1,0,2]=4 559 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,1,0,0,0,0|1,0,2]=4 560 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,1,0,0,0,0|1,0,2]=4 561 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,1,0,0,0,0|1,0,2]=4 562 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,1,0,0,0,0|1,0,2]=4 563 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,1,0,0,0,0|1,0,2]=4 564 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,1,0,0,0,0|1,0,2]=4 565 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,1,0,0,0,0|1,0,2]=4 566 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [0,1,0,0,0,0|1,0,2]=4 567 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,1,0,0,0,0|1,0,2]=4 568 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,0,0,0,0|1,0,1]=3 569 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,0,0,0,0|1,0,1]=3 570 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,1,0,0,0,0|2,0,1]=4 571 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,1,0,0,0,0|2,0,1]=4 572 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,1,0,0,0,0|2,0,1]=4 573 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,1,0,0,0,0|2,0,1]=4 574 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,1,0,0,0,0|2,0,1]=4 575 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,1,0,0,0,0|2,0,1]=4 576 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,1,0,0,0,0|1,0,1]=3 577 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,1,0,0,0,0|1,0,1]=3 578 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,1,0,0,0,0|1,0,1]=3 579 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,1,0,0,0,0|2,0,1]=4 580 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,1,0,0,0,0|2,0,1]=4 581 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,1,0,0,0,0|2,0,1]=4 582 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,1,0,0,0,0|2,0,1]=4 583 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,1,0,0,0,0|2,0,1]=4 584 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,1,0,0,0,0|2,0,1]=4 585 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,1,0,0,0,0|2,0,1]=4 586 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,1,0,0,0,0|1,0,2]=4 587 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,1,0,0,0,0|1,0,2]=4 588 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,1,0,0,0,0|1,0,1]=3 589 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,1,0,0,0,0|2,0,1]=4 590 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [0,1,0,0,0,0|2,0,1]=4 591 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [0,1,0,0,0,0|2,0,1]=4 592 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,1,0,0,0,0|2,0,1]=4 593 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,1,0,0,0,0|2,0,1]=4 594 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [0,1,0,0,0,0|2,0,1]=4 595 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,1,0,0,0,0|2,0,1]=4 596 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,1,0,0,0,0|2,0,1]=4 597 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,1,0,0,0,0|2,0,1]=4 598 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,1,0,0,0,0|1,0,1]=3 599 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,1,0,0,0,0|1,0,1]=3 600 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,1,0,0,0,0|2,0,1]=4 601 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,1,0,0,0,0|2,0,1]=4 602 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,1,0,0,0,0|2,0,1]=4 603 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,1,0,0,0,0|2,0,1]=4 604 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,1,0,0,0,0|2,0,1]=4 605 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,1,0,0,0,0|2,0,1]=4 606 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,1,0,0,0,0|1,0,1]=3 607 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,1,0,0,0,0|1,0,0]=2 608 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,1,0,0,0,0|2,0,0]=3 609 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,1,0,0,0,0|1,0,1]=3 610 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,1,0,0,0,0|1,0,1]=3 611 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,1,0,0,0,0|1,0,1]=3 612 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,1,0,0,0,0|1,0,1]=3 613 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,1,0,0,0,0|1,0,0]=2 614 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,0,0,0,0|1,0,0]=2 615 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,0,0,0,0|1,0,0]=2 616 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,0,0,0,0|1,0,0]=2 617 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,0,0,0,0|1,0,0]=2 618 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,0,0,0,0|1,0,0]=2 619 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,1,0,0,0,0|1,0,0]=2 620 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,1,0,0,0,0|1,1,0]=3 621 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,1,0,0,0,0|1,1,0]=3 622 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,1,0,0,0,0|1,0,1]=3 623 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,1,0,0,0,0|1,0,1]=3 624 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,0,0,0,0|1,0,0]=2 625 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,0,0,0,0|1,0,0]=2 626 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,0,0,0,0|1,0,0]=2 627 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,0,0,0,0|1,0,0]=2 628 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,0,0,0,0|1,0,0]=2 629 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,0,0,0,0|1,0,0]=2 630 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,1,0,0,0,0|2,0,1]=4 631 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,1,0,0,0,0|2,0,1]=4 632 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,1,0,0,0,0|2,0,1]=4 633 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,1,0,0,0,0|2,0,1]=4 634 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,1,0,0,0,0|2,0,1]=4 635 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,1,0,0,0,0|2,0,1]=4 636 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,1,0,0,0,0|2,0,1]=4 637 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,1,0,0,0,0|2,0,1]=4 638 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,1,0,0,0,0|2,0,1]=4 639 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,1,0,0,0,0|2,0,1]=4 640 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,1,0,0,0,0|2,0,1]=4 641 B7R0.3 CCC(C)OCC#N 7a_100000210228_100011215382 [0,1,0,0,0,0|1,0,2]=4 642 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,1,0,0,0,0|1,0,2]=4 643 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,1,0,0,0,0|1,0,1]=3 644 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,1,0,0,0,0|1,0,1]=3 645 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,1,0,0,0,0|1,0,1]=3 646 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,1,0,0,0,0|1,0,1]=3 647 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,1,0,0,0,0|1,1,1]=4 648 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,1,0,0,0,0|1,1,1]=4 649 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,1,0,0,0,0|1,1,1]=4 650 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,1,0,0,0,0|1,1,1]=4 651 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,1,0,0,0,0|1,1,1]=4 652 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,1,0,0,0,0|1,1,1]=4 653 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,1,0,0,0,0|1,1,1]=4 654 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,1,0,0,0,0|1,1,1]=4 655 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,0,0,0,0|1,0,0]=2 656 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,1,0,0,0,0|2,0,0]=3 657 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,1,0,0,0,0|2,0,0]=3 658 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,1,0,0,0,0|2,0,0]=3 659 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,1,0,0,0,0|2,0,0]=3 660 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,0,0,0,0|1,0,0]=2 661 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,0,0,0,0|1,0,0]=2 662 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,1,0,0,0,0|2,0,0]=3 663 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,1,0,0,0,0|2,0,0]=3 664 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,1,0,0,0,0|2,0,0]=3 665 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,1,0,0,0,0|2,0,0]=3 666 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,1,0,0,0,0|2,0,0]=3 667 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,1,0,0,0,0|2,0,0]=3 668 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,1,0,0,0,0|3,0,0]=4 669 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,1,0,0,0,0|3,0,0]=4 670 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,1,0,0,0,0|3,0,0]=4 671 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,1,0,0,0,0|3,0,0]=4 672 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,1,0,0,0,0|3,0,0]=4 673 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,1,0,0,0,0|3,0,0]=4 674 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,1,0,0,0,0|3,0,0]=4 675 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,1,0,0,0,0|3,0,0]=4 676 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,0,0,0,0|1,0,0]=2 677 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,0,0,0,0|1,0,0]=2 678 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,0,0,0,0|1,0,0]=2 679 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,0,0,0,0|1,0,0]=2 680 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,0,0,0,0|2,0,0]=3 681 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,0,0,0,0|2,0,0]=3 682 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,1,0,0,0,0|2,0,0]=3 683 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,1,0,0,0,0|2,0,0]=3 684 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,1,0,0,0,0|2,0,0]=3 685 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,1,0,0,0,0|2,0,0]=3 686 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,1,0,0,0,0|2,0,0]=3 687 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,1,0,0,0,0|2,0,0]=3 688 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,1,0,0,0,0|2,0,1]=4 689 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,1,0,0,0,0|1,0,1]=3 690 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,1,0,0,0,0|1,0,1]=3 691 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,1,0,0,0,0|2,0,1]=4 692 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,1,0,0,0,0|2,0,1]=4 693 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,1,0,0,0,0|2,0,1]=4 694 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,1,0,0,0,0|2,0,1]=4 695 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,1,0,0,0,0|1,1,1]=4 696 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,1,0,0,0,0|1,1,1]=4 697 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [0,1,0,0,0,0|3,0,0]=4 698 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [0,1,0,0,0,0|3,0,0]=4 699 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,1,0,0,0,0|3,0,0]=4 700 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,1,0,0,0,0|3,0,0]=4 701 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,1,0,0,0,0|3,0,0]=4 702 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,1,0,0,0,0|3,0,0]=4 703 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,1,0,0,0,0|3,0,0]=4 704 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,1,0,0,0,0|3,0,0]=4 705 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,1,0,0,0,0|3,0,0]=4 706 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,1,0,0,0,0|3,0,0]=4 707 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,1,0,0,0,0|3,0,0]=4 708 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,1,0,0,0,0|3,0,0]=4 709 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,1,0,0,0,0|3,0,0]=4 710 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,1,0,0,0,0|3,0,0]=4 711 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,1,0,0,0,0|3,0,0]=4 712 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,1,0,0,0,0|3,0,0]=4 713 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,1,0,0,0,0|3,0,0]=4 714 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,1,0,0,0,0|3,0,0]=4 715 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,1,0,0,0,0|2,0,0]=3 716 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,1,0,0,0,0|2,0,0]=3 717 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,1,0,0,0,0|2,0,0]=3 718 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,1,0,0,0,0|2,0,1]=4 719 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,1,0,0,0,0|2,0,1]=4 720 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,1,0,0,0,0|2,0,1]=4 721 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,1,0,0,0,0|1,0,2]=4 722 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,1,0,0,0,0|1,0,2]=4 723 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,1,0,0,0,0|2,0,1]=4 724 B7R0.3 CCNN=C(C)CF 4a_100000756455_100000039719 [0,1,0,0,0,0|3,0,0]=4 725 B7R0.3 CCNN=C(C)CO 4a_100000756455_100000211253 [0,1,0,0,0,0|3,0,0]=4 726 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,1,0,0,0,0|1,0,0]=2 727 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,1,0,0,0,0|2,0,0]=3 728 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,1,0,0,0,0|2,0,0]=3 729 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,1,0,0,0,0|2,0,0]=3 730 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,1,0,0,0,0|2,0,0]=3 731 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,0,0,0,0|0,0,0]=1 732 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,0,0,0,0|0,0,0]=1 733 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,1,0,0,0,0|1,0,0]=2 734 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,1,0,0,0,0|1,0,0]=2 735 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,1,0,0,0,0|1,0,0]=2 736 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,1,0,0,0,0|1,0,0]=2 737 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,1,0,0,0,0|1,0,0]=2 738 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,1,0,0,0,0|1,0,0]=2 739 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,1,0,0,0,0|1,0,0]=2 740 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,1,0,0,0,0|1,0,0]=2 741 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,1,0,0,0,0|1,0,1]=3 742 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,1,0,0,0,0|2,0,1]=4 743 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,1,0,0,0,0|2,0,1]=4 744 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,1,0,0,0,0|2,0,1]=4 745 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,1,0,0,0,0|2,0,1]=4 746 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,1,0,0,0,0|2,0,1]=4 747 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,1,0,0,0,0|2,0,1]=4 748 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [0,1,0,0,0,0|2,0,1]=4 749 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,1,0,0,0,0|0,0,2]=3 750 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,1,0,0,0,0|1,0,2]=4 751 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,1,0,0,0,0|2,0,0]=3 752 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,1,0,0,0,0|1,0,1]=3 753 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,1,0,0,0,0|1,0,1]=3 754 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,1,0,0,0,0|2,0,1]=4 755 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,1,0,0,0,0|1,0,2]=4 756 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,1,0,0,0,0|1,0,2]=4 757 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [0,1,0,0,0,0|2,0,1]=4 758 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,1,0,0,0,0|0,1,0]=2 759 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,1,0,0,0,0|0,1,0]=2 760 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,1,0,0,0,0|0,1,0]=2 761 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,1,0,0,0,0|1,1,0]=3 762 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,1,0,0,0,0|1,1,0]=3 763 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,1,0,0,0,0|1,1,0]=3 764 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,1,0,0,0,0|1,1,0]=3 765 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,1,0,0,0,0|1,1,0]=3 766 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,1,0,0,0,0|1,1,0]=3 767 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,1,0,0,0,0|1,1,0]=3 768 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,1,0,0,0,0|1,1,0]=3 769 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,1,0,0,0,0|1,1,0]=3 770 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,1,0,0,0,0|1,1,1]=4 771 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,1,0,0,0,0|1,1,1]=4 772 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,1,0,0,0,0|0,1,2]=4 773 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,1,0,0,0,0|0,1,2]=4 774 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,1,0,0,0,0|1,1,1]=4 775 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,1,0,0,0,0|1,1,1]=4 776 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,1,0,0,0,0|2,0,1]=4 777 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,1,0,0,0,0|2,0,1]=4 778 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,1,0,0,0,0|2,0,1]=4 779 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,1,0,0,0,0|2,0,1]=4 780 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,1,0,0,0,0|2,0,1]=4 781 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,1,0,0,0,0|2,0,1]=4 782 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,1,0,0,0,0|2,0,1]=4 783 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,1,0,0,0,0|2,0,0]=3 784 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,1,0,0,0,0|2,0,0]=3 785 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,1,0,0,0,0|2,0,0]=3 786 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,1,0,0,0,0|2,0,0]=3 787 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,1,0,0,0,0|2,0,0]=3 788 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,1,0,0,0,0|2,0,0]=3 789 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,1,0,0,0,0|2,0,0]=3 790 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,1,0,0,0,0|2,0,0]=3 791 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,1,0,0,0,0|2,0,0]=3 792 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,0,0,0,0|2,0,0]=3 793 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,0,0,0,0|2,0,0]=3 794 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,0,0,0,0|2,0,0]=3 795 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,0,0,0,0|2,0,0]=3 796 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,0,0,0,0|2,0,0]=3 797 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,0,0,0,0|2,0,0]=3 798 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,0,0,0,0|2,0,0]=3 799 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,0,0,0,0|2,0,0]=3 800 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,1,0,0,0,0|2,0,0]=3 801 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,1,0,0,0,0|2,1,0]=4 802 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,1,0,0,0,0|2,1,0]=4 803 B7R0.3 CNC(=O)NCC#N 2708a_100000734998_106832991635 [0,1,0,0,0,0|2,0,1]=4 804 B7R0.3 CNC(=O)NCC#N 273464a_100000734998_100102657272 [0,1,0,0,0,0|2,0,1]=4 805 B7R0.3 CNC(=O)NCC#N 273464a_100102657272_100000734998 [0,1,0,0,0,0|2,0,1]=4 806 B7R0.3 CNC(=O)NCC#N 512a_100000734998_100102657272 [0,1,0,0,0,0|2,0,1]=4 807 B7R0.3 CNC(=O)NCC#N 512a_106832991638_100000734998 [0,1,0,0,0,0|2,0,1]=4 808 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,1,0,0,0,0|2,0,0]=3 809 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,1,0,0,0,0|2,0,0]=3 810 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,1,0,0,0,0|2,0,0]=3 811 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,1,0,0,0,0|2,0,0]=3 812 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,1,0,0,0,0|2,0,0]=3 813 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,1,0,0,0,0|2,0,0]=3 814 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,1,0,0,0,0|2,0,0]=3 815 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,1,0,0,0,0|2,0,0]=3 816 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,1,0,0,0,0|2,0,0]=3 817 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,1,0,0,0,0|2,0,0]=3 818 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,1,0,0,0,0|2,0,0]=3 819 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,1,0,0,0,0|2,0,0]=3 820 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,1,0,0,0,0|2,0,0]=3 821 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,1,0,0,0,0|2,0,0]=3 822 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,1,0,0,0,0|2,0,0]=3 823 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,1,0,0,0,0|2,0,0]=3 824 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,1,0,0,0,0|2,0,0]=3 825 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,1,0,0,0,0|2,0,0]=3 826 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,1,0,0,0,0|2,0,0]=3 827 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,1,0,0,0,0|2,0,0]=3 828 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,1,0,0,0,0|2,1,0]=4 829 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,1,0,0,0,0|2,1,0]=4 830 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,1,0,0,0,0|1,0,0]=2 831 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,1,0,0,0,0|1,0,0]=2 832 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [0,1,0,0,0,0|2,0,1]=4 833 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,1,0,0,0,0|2,0,0]=3 834 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,1,0,0,0,0|2,0,0]=3 835 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,1,0,0,0,0|2,0,0]=3 836 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,1,0,0,0,0|2,0,0]=3 837 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,1,0,0,0,0|2,0,0]=3 838 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [0,1,0,0,0,0|2,0,1]=4 839 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,1,0,0,0,0|2,0,1]=4 840 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,1,0,0,0,0|2,0,1]=4 841 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,1,0,0,0,0|2,0,1]=4 842 B7R0.3 N#CCNC(=O)CO 527a_100000734998_100000210174 [0,1,0,0,0,0|2,0,1]=4 843 B7R0.3 O=C(C#CCO)CF 1458a_100000049017_100015361967 [0,1,0,0,0,0|2,0,1]=4 844 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,1,0,0,0,0|2,0,0]=3 845 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,1,0,0,0,0|2,0,0]=3 846 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,1,0,0,0,0|2,0,0]=3 847 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,1,0,0,0,0|2,0,0]=3 848 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,1,0,0,0,0|2,0,0]=3 849 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,1,0,0,0,0|2,0,0]=3 850 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,1,0,0,0,0|1,0,2]=4 851 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,1,0,0,0,0|1,0,2]=4 852 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [0,1,0,0,0,0|1,0,2]=4 853 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [0,1,0,0,0,0|1,0,2]=4 854 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [0,1,0,0,0,0|1,0,2]=4 855 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,1,0,0,0,0|1,0,2]=4 856 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,0,0,0,0|1,0,1]=3 857 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,1,0,0,0,0|2,0,1]=4 858 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,1,0,0,0,0|2,0,1]=4 859 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,1,0,0,0,0|1,0,1]=3 860 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [0,1,0,0,0,0|2,0,1]=4 861 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,1,0,0,0,0|1,0,2]=4 862 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,1,0,0,0,0|1,0,2]=4 863 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,1,0,0,0,0|1,0,2]=4 864 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,1,0,0,0,0|1,0,2]=4 865 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,1,0,0,0,0|1,0,2]=4 866 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,1,0,0,0,0|1,0,2]=4 867 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,1,0,0,0,0|1,0,2]=4 868 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,1,0,0,0,0|1,0,1]=3 869 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|2,0,1]=4 870 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|2,0,1]=4 871 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,1,0,0,0,0|2,0,1]=4 872 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,1,0,0,0,0|2,0,1]=4 873 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,1,0,0,0,0|2,0,1]=4 874 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,1,0,0,0,0|2,0,1]=4 875 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,1,0,0,0,0|2,0,1]=4 876 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,1,0,0,0,0|2,0,0]=3 877 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,1,0,0,0,0|2,0,0]=3 878 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,1,0,0,0,0|2,0,0]=3 879 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,1,0,0,0,0|2,0,0]=3 880 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,1,0,0,0,0|2,0,0]=3 881 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,1,0,0,0,0|2,0,1]=4 882 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [0,1,0,0,0,0|2,0,1]=4 883 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,1,0,0,0,0|2,0,0]=3 884 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,1,0,0,0,0|2,0,0]=3 885 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,0,0,0,0|2,0,1]=4 886 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,0,0,0,0|2,0,1]=4 887 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,1,0,0,0,0|1,0,1]=3 888 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,1,0,0,0,0|2,0,1]=4 889 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,1,0,0,0,0|2,0,1]=4 890 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,1,0,0,0,0|2,0,1]=4 891 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,1,0,0,0,0|1,0,0]=2 892 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,1,0,0,0,0|1,0,0]=2 893 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,1,0,0,0,0|1,0,0]=2 894 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,1,0,0,0,0|2,0,0]=3 895 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,1,0,0,0,0|2,0,0]=3 896 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,1,0,0,0,0|2,0,0]=3 897 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,1,0,0,0,0|2,0,0]=3 898 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,1,0,0,0,0|2,0,0]=3 899 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,0,0,0,0|1,0,0]=2 900 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,0,0,0,0|1,0,0]=2 901 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,1,0,0,0,0|3,0,0]=4 902 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,1,0,0,0,0|3,0,0]=4 903 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,1,0,0,0,0|3,0,0]=4 904 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,1,0,0,0,0|3,0,0]=4 905 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,1,0,0,0,0|3,0,0]=4 906 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,1,0,0,0,0|3,0,0]=4 907 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,1,0,0,0,0|3,0,0]=4 908 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,0,0,0,0|1,0,1]=3 909 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,1,0,0,0,0|2,0,1]=4 910 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,0,0,0,0|1,0,1]=3 911 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,0,0,0,0|1,0,0]=2 912 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,0,0,0,0|1,0,0]=2 913 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,0,0,0,0|1,0,0]=2 914 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,1,0,0,0,0|1,0,0]=2 915 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,1,0,0,0,0|1,0,0]=2 916 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,1,0,0,0,0|1,0,0]=2 917 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,1,0,0,0,0|2,0,0]=3 918 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,1,0,0,0,0|2,0,0]=3 919 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,1,0,0,0,0|2,0,0]=3 920 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,1,0,0,0,0|2,0,0]=3 921 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,1,0,0,0,0|2,0,0]=3 922 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,0,0,0,0|1,0,0]=2 923 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,0,0,0,0|1,0,0]=2 924 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,1,0,0,0,0|2,0,1]=4 925 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,0,0,0,0|1,0,2]=4 926 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,0,0,0,0|1,0,2]=4 927 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,0,0,0,0|1,0,2]=4 928 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,1,0,0,0,0|1,0,1]=3 929 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,1,0,0,0,0|3,0,0]=4 930 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,1,0,0,0,0|3,0,0]=4 931 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,1,0,0,0,0|3,0,0]=4 932 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,1,0,0,0,0|3,0,0]=4 933 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|2,0,1]=4 934 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,1,0,0,0,0|2,0,0]=3 935 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,1,0,0,0,0|2,0,0]=3 936 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,1,0,0,0,0|2,0,0]=3 937 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,1,0,0,0,0|3,0,0]=4 938 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,1,0,0,0,0|3,0,0]=4 939 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,1,0,0,0,0|3,0,0]=4 940 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,1,0,0,0,0|3,0,0]=4 941 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,1,0,0,0,0|2,0,0]=3 942 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,1,0,0,0,0|2,0,0]=3 943 B7R0.5 CNNC(=O)C(F)F 22a_100016993582_100000210393 [0,1,0,0,0,0|3,0,0]=4 944 B7R0.5 CNNC(=O)C(O)O 22a_100016993582_100000233687 [0,1,0,0,0,0|3,0,0]=4 945 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,1,0,0,0,0|2,0,0]=3 946 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,1,0,0,0,0|2,0,0]=3 947 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|2,0,1]=4 948 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,1,0,0,0,0|2,0,0]=3 949 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,1,0,0,0,0|2,0,0]=3 950 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,1,0,0,0,0|3,0,0]=4 951 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,1,0,0,0,0|3,0,0]=4 952 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,1,0,0,0,0|3,0,0]=4 953 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,1,0,0,0,0|3,0,0]=4 954 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,1,0,0,0,0|3,0,0]=4 955 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|2,0,1]=4 956 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|2,0,1]=4 957 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,1,0,0,0,0|2,0,0]=3 958 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,1,0,0,0,0|2,0,0]=3 959 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,1,0,0,0,0|2,0,0]=3 960 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,1,0,0,0,0|3,0,0]=4 961 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,1,0,0,0,0|3,0,0]=4 962 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,1,0,0,0,0|3,0,0]=4 963 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,1,0,0,0,0|3,0,0]=4 964 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,1,0,0,0,0|3,0,0]=4 965 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,1,0,0,0,0|3,0,0]=4 966 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [0,1,0,0,0,0|2,0,1]=4 967 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,1,0,0,0,0|2,0,0]=3 968 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,1,0,0,0,0|2,0,0]=3 969 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [0,1,0,0,0,0|2,0,1]=4 970 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,1,0,0,0,0|2,0,0]=3 971 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,1,0,0,0,0|2,0,0]=3 972 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [0,1,0,0,0,0|3,0,0]=4 973 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,1,0,0,0,0|3,0,0]=4 974 B7R0.7 C#CCC(=O)C#CC 1458a_100000763181_100000184674 [0,1,0,0,0,0|1,0,2]=4 975 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [0,1,0,0,0,0|1,0,2]=4 976 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,1,0,0,0,0|1,0,1]=3 977 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,1,0,0,0,0|1,0,1]=3 978 B7R0.7 C#CCC(=O)CCF 1458a_100011220946_100011217306 [0,1,0,0,0,0|1,0,2]=4 979 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [0,1,0,0,0,0|1,0,2]=4 980 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [0,1,0,0,0,0|1,0,2]=4 981 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,1,0,0,0,0|1,0,2]=4 982 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [0,1,0,0,0,0|1,0,2]=4 983 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,1,0,0,0,0|1,0,1]=3 984 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,1,0,0,0,0|1,0,2]=4 985 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,1,0,0,0,0|1,0,2]=4 986 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,1,0,0,0,0|1,0,2]=4 987 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [0,1,0,0,0,0|1,0,2]=4 988 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,1,0,0,0,0|1,0,2]=4 989 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,0,0,0,0|1,0,1]=3 990 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,0,0,0,0|1,0,1]=3 991 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,1,0,0,0,0|1,0,2]=4 992 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,1,0,0,0,0|1,0,2]=4 993 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,1,0,0,0,0|1,0,2]=4 994 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,1,0,0,0,0|1,0,2]=4 995 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,1,0,0,0,0|1,0,2]=4 996 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,0,0,0,0|1,0,1]=3 997 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,0,0,0,0|1,0,1]=3 998 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,0,0,0,0|1,0,1]=3 999 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,1,0,0,0,0|2,0,1]=4 1000 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,1,0,0,0,0|1,0,2]=4 1001 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,1,0,0,0,0|1,0,2]=4 1002 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,1,0,0,0,0|0,0,2]=3 1003 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,1,0,0,0,0|0,0,2]=3 1004 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,1,0,0,0,0|0,0,2]=3 1005 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,1,0,0,0,0|0,0,2]=3 1006 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,1,0,0,0,0|0,0,2]=3 1007 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,1,0,0,0,0|0,0,2]=3 1008 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,1,0,0,0,0|0,0,2]=3 1009 B7R0.7 CC#CC(=O)CC#N 1458a_100000763181_100011214920 [0,1,0,0,0,0|1,0,2]=4 1010 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,1,0,0,0,0|1,0,1]=3 1011 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,1,0,0,0,0|1,0,1]=3 1012 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,1,0,0,0,0|1,0,1]=3 1013 B7R0.7 CC#CC(=O)NNC 22a_100016993582_100000763181 [0,1,0,0,0,0|2,0,1]=4 1014 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,1,0,0,0,0|1,0,2]=4 1015 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,1,0,0,0,0|2,0,1]=4 1016 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,1,0,0,0,0|1,0,2]=4 1017 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,0,0,0,0|1,0,1]=3 1018 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,1,0,0,0,0|1,0,1]=3 1019 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,1,0,0,0,0|1,0,1]=3 1020 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,1,0,0,0,0|1,0,1]=3 1021 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,1,0,0,0,0|1,0,1]=3 1022 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,1,0,0,0,0|2,0,1]=4 1023 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,1,0,0,0,0|1,0,2]=4 1024 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,1,0,0,0,0|1,0,2]=4 1025 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,1,0,0,0,0|1,0,2]=4 1026 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,1,0,0,0,0|1,0,1]=3 1027 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,1,0,0,0,0|1,0,1]=3 1028 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,1,0,0,0,0|1,0,0]=2 1029 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,1,0,0,0,0|1,0,0]=2 1030 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,1,0,0,0,0|1,0,0]=2 1031 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,1,0,0,0,0|1,0,0]=2 1032 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,0,0,0,0|1,0,0]=2 1033 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,0,0,0,0|1,0,0]=2 1034 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,1,0,0,0,0|1,0,0]=2 1035 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,1,0,0,0,0|1,0,0]=2 1036 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,1,0,0,0,0|1,0,0]=2 1037 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,1,0,0,0,0|1,0,0]=2 1038 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,1,0,0,0,0|1,0,0]=2 1039 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,1,0,0,0,0|1,0,0]=2 1040 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,0,0,0,0|1,0,0]=2 1041 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,0,0,0,0|1,0,0]=2 1042 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,0,0,0,0|1,0,0]=2 1043 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,1,0,0,0,0|2,0,0]=3 1044 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,1,0,0,0,0|2,0,1]=4 1045 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,1,0,0,0,0|2,0,1]=4 1046 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,1,0,0,0,0|2,0,1]=4 1047 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,1,0,0,0,0|2,0,1]=4 1048 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,1,0,0,0,0|2,0,1]=4 1049 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,1,0,0,0,0|2,0,1]=4 1050 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,1,0,0,0,0|2,0,1]=4 1051 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,1,0,0,0,0|2,0,1]=4 1052 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,1,0,0,0,0|2,0,1]=4 1053 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,1,0,0,0,0|2,0,1]=4 1054 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,1,0,0,0,0|2,0,1]=4 1055 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,1,0,0,0,0|2,0,1]=4 1056 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,1,0,0,0,0|2,0,1]=4 1057 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,1,0,0,0,0|2,0,1]=4 1058 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,1,0,0,0,0|2,0,1]=4 1059 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,1,0,0,0,0|2,0,1]=4 1060 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,1,0,0,0,0|1,0,1]=3 1061 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,1,0,0,0,0|1,0,1]=3 1062 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,1,0,0,0,0|1,0,1]=3 1063 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,1,0,0,0,0|2,0,1]=4 1064 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,1,0,0,0,0|2,0,1]=4 1065 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,1,0,0,0,0|1,1,1]=4 1066 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,1,0,0,0,0|1,1,1]=4 1067 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,1,0,0,0,0|3,0,0]=4 1068 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,1,0,0,0,0|3,0,0]=4 1069 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,1,0,0,0,0|3,0,0]=4 1070 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,1,0,0,0,0|3,0,0]=4 1071 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [0,1,0,0,0,0|3,0,0]=4 1072 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [0,1,0,0,0,0|3,0,0]=4 1073 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,1,0,0,0,0|3,0,0]=4 1074 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,1,0,0,0,0|3,0,0]=4 1075 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,1,0,0,0,0|3,0,0]=4 1076 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,1,0,0,0,0|3,0,0]=4 1077 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,1,0,0,0,0|3,0,0]=4 1078 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,1,0,0,0,0|3,0,0]=4 1079 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,1,0,0,0,0|3,0,0]=4 1080 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,1,0,0,0,0|3,0,0]=4 1081 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,1,0,0,0,0|3,0,0]=4 1082 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,1,0,0,0,0|3,0,0]=4 1083 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,1,0,0,0,0|3,0,0]=4 1084 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,1,0,0,0,0|3,0,0]=4 1085 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,1,0,0,0,0|3,0,0]=4 1086 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,1,0,0,0,0|3,0,0]=4 1087 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,1,0,0,0,0|2,0,1]=4 1088 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,1,0,0,0,0|2,0,1]=4 1089 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,1,0,0,0,0|1,0,2]=4 1090 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,1,0,0,0,0|1,0,2]=4 1091 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,1,0,0,0,0|1,0,2]=4 1092 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,1,0,0,0,0|1,0,1]=3 1093 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,1,0,0,0,0|1,0,0]=2 1094 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,1,0,0,0,0|1,0,0]=2 1095 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,1,0,0,0,0|1,0,0]=2 1096 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,1,0,0,0,0|1,0,0]=2 1097 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,1,0,0,0,0|1,0,0]=2 1098 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,1,0,0,0,0|1,0,0]=2 1099 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,1,0,0,0,0|1,0,0]=2 1100 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,1,0,0,0,0|1,0,0]=2 1101 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,1,0,0,0,0|1,0,0]=2 1102 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,1,0,0,0,0|1,0,0]=2 1103 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,1,0,0,0,0|1,0,0]=2 1104 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,1,0,0,0,0|1,0,0]=2 1105 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,1,0,0,0,0|1,0,0]=2 1106 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,1,0,0,0,0|1,0,0]=2 1107 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,1,0,0,0,0|1,0,0]=2 1108 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,1,0,0,0,0|1,0,0]=2 1109 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,1,0,0,0,0|1,0,0]=2 1110 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,1,0,0,0,0|1,0,0]=2 1111 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,1,0,0,0,0|1,0,0]=2 1112 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,1,0,0,0,0|1,0,0]=2 1113 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,1,0,0,0,0|2,0,0]=3 1114 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,1,0,0,0,0|2,0,0]=3 1115 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,1,0,0,0,0|2,0,0]=3 1116 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,1,0,0,0,0|2,0,1]=4 1117 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,1,0,0,0,0|2,0,1]=4 1118 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,1,0,0,0,0|2,0,1]=4 1119 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,1,0,0,0,0|2,0,1]=4 1120 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,1,0,0,0,0|2,0,1]=4 1121 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,1,0,0,0,0|2,0,1]=4 1122 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,1,0,0,0,0|2,0,1]=4 1123 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,1,0,0,0,0|0,0,0]=1 1124 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,1,0,0,0,0|0,0,0]=1 1125 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,1,0,0,0,0|0,0,0]=1 1126 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,1,0,0,0,0|0,0,0]=1 1127 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,1,0,0,0,0|0,0,0]=1 1128 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,1,0,0,0,0|0,0,0]=1 1129 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,1,0,0,0,0|0,0,0]=1 1130 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,1,0,0,0,0|0,0,0]=1 1131 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,1,0,0,0,0|1,0,1]=3 1132 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,1,0,0,0,0|1,0,1]=3 1133 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,1,0,0,0,0|1,0,1]=3 1134 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,1,0,0,0,0|1,0,1]=3 1135 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,1,0,0,0,0|1,1,1]=4 1136 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,1,0,0,0,0|1,1,1]=4 1137 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,1,0,0,0,0|1,1,1]=4 1138 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,1,0,0,0,0|1,1,1]=4 1139 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,1,0,0,0,0|2,0,0]=3 1140 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,1,0,0,0,0|2,0,0]=3 1141 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,1,0,0,0,0|2,0,0]=3 1142 B7R0.7 CNNC(=O)CC#N 22a_100016993582_100051588842 [0,1,0,0,0,0|2,0,1]=4 1143 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,1,0,0,0,0|2,0,0]=3 1144 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,1,0,0,0,0|2,0,0]=3 1145 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,1,0,0,0,0|2,0,0]=3 1146 B7R0.7 CNNC(=O)NNC 512a_100016993582_100016993582 [0,1,0,0,0,0|3,0,0]=4 1147 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,1,0,0,0,0|2,0,1]=4 1148 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,1,0,0,0,0|2,0,0]=3 1149 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,1,0,0,0,0|2,0,0]=3 1150 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,1,0,0,0,0|2,0,0]=3 1151 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,1,0,0,0,0|2,0,1]=4 1152 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [0,1,0,0,0,0|2,0,1]=4 1153 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,1,0,0,0,0|2,0,0]=3 1154 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,1,0,0,0,0|2,0,0]=3 1155 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,1,0,0,0,0|2,0,0]=3 1156 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,1,0,0,0,0|2,0,0]=3 1157 B7R0.7 N#CCC(=O)CCF 1458a_100051588842_100011217306 [0,1,0,0,0,0|2,0,1]=4 1158 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [0,1,0,0,0,0|2,0,1]=4 1159 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [0,1,0,0,0,0|2,0,1]=4 1160 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,1,0,0,0,0|2,0,1]=4 1161 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,1,0,0,0,0|2,0,1]=4 1162 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,1,0,0,0,0|2,0,1]=4 1163 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,1,0,0,0,0|2,0,1]=4 1164 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,1,0,0,0,0|2,0,1]=4 1165 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,1,0,0,0,0|2,0,1]=4 1166 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,1,0,0,0,0|2,0,0]=3 1167 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,1,0,0,0,0|2,0,0]=3 1168 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,1,0,0,0,0|2,0,0]=3 1169 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,1,0,0,0,0|2,0,0]=3 1170 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,1,0,0,0,0|1,0,2]=4 1171 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,1,0,0,0,0|1,0,2]=4 1172 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,0,0,0,0|1,0,1]=3 1173 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,1,0,0,0,0|2,0,1]=4 1174 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,0,0,0,0|2,0,1]=4 1175 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,0,0,0,0|2,0,1]=4 1176 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,0,0,0,0|1,0,2]=4 1177 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,1,0,0,0,0|1,0,2]=4 1178 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,1,0,0,0,0|1,0,2]=4 1179 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,0,0,0,0|1,0,2]=4 1180 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,0,0,0,0|2,0,0]=3 1181 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,1,0,0,0,0|2,0,1]=4 1182 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,1,0,0,0,0|2,0,1]=4 1183 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|1,0,0]=2 1184 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|1,0,0]=2 1185 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,0,0,0,0|2,0,0]=3 1186 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,0,0,0,0|2,0,0]=3 1187 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,0,0,0,0|2,0,0]=3 1188 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,0,0,0,0|2,0,0]=3 1189 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,0,0,0,0|2,0,0]=3 1190 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,0,0,0,0|2,0,0]=3 1191 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,0,0,0,0|2,0,0]=3 1192 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,0,0,0,0|2,0,0]=3 1193 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,0,0,0,0|1,0,0]=2 1194 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,0,0,0,0|2,0,0]=3 1195 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,0,0,0,0|1,0,0]=2 1196 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,0,0,0,0|1,0,0]=2 1197 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,0,0,0,0|1,0,0]=2 1198 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,0,0,0,0|1,0,0]=2 1199 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,0,0,0,0|2,0,0]=3 1200 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|2,0,0]=3 1201 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,0,0,0,0|2,0,0]=3 1202 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,0,0,0,0|2,0,0]=3 1203 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,0,0,0,0|2,0,0]=3 1204 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,0,0,0,0|2,0,0]=3 1205 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,1,0,0,0,0|2,0,1]=4 1206 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,1,0,0,0,0|2,0,1]=4 1207 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,1,0,0,0,0|2,0,1]=4 1208 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,1,0,0,0,0|2,0,1]=4 1209 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,1,0,0,0,0|2,0,1]=4 1210 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,1,0,0,0,0|2,0,1]=4 1211 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,1,0,0,0,0|2,0,1]=4 1212 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,1,0,0,0,0|2,0,1]=4 1213 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,0,0,0,0|2,0,0]=3 1214 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,0,0,0,0|2,0,0]=3 1215 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,0,0,0,0|2,0,0]=3 1216 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,0,0,0,0|2,0,0]=3 1217 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,1,0,0,0,0|2,0,0]=3 1218 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,1,0,0,0,0|2,0,0]=3 1219 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,1,0,0,0,0|3,0,0]=4 1220 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,1,0,0,0,0|3,0,0]=4 1221 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,1,0,0,0,0|3,0,0]=4 1222 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,1,0,0,0,0|3,0,0]=4 1223 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,1,0,0,0,0|3,0,0]=4 1224 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,1,0,0,0,0|3,0,0]=4 1225 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,1,0,0,0,0|3,0,0]=4 1226 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,1,0,0,0,0|3,0,0]=4 1227 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,1,0,0,0,0|3,0,0]=4 1228 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,1,0,0,0,0|3,0,0]=4 1229 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,1,0,0,0,0|3,0,0]=4 1230 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,1,0,0,0,0|3,0,0]=4 1231 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,1,0,0,0,0|3,0,0]=4 1232 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,1,0,0,0,0|3,0,0]=4 1233 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,1,0,0,0,0|3,0,0]=4 1234 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,1,0,0,0,0|3,0,0]=4 1235 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,1,0,0,0,0|3,0,0]=4 1236 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,1,0,0,0,0|3,0,0]=4 1237 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,1,0,0,0,0|3,0,0]=4 1238 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,1,0,0,0,0|3,0,0]=4 1239 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,1,0,0,0,0|3,0,0]=4 1240 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,1,0,0,0,0|3,0,0]=4 1241 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,1,0,0,0,0|3,0,0]=4 1242 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,1,0,0,0,0|3,0,0]=4 1243 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,1,0,0,0,0|3,0,0]=4 1244 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,1,0,0,0,0|3,0,0]=4 1245 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,1,0,0,0,0|3,0,0]=4 1246 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,1,0,0,0,0|3,0,0]=4 1247 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [0,1,0,0,0,0|3,0,0]=4 1248 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [0,1,0,0,0,0|3,0,0]=4 1249 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [0,1,0,0,0,0|3,0,0]=4 1250 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [0,1,0,0,0,0|3,0,0]=4 1251 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,1,0,0,0,0|3,0,0]=4 1252 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,1,0,0,0,0|3,0,0]=4 1253 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,1,0,0,0,0|3,0,0]=4 1254 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,1,0,0,0,0|3,0,0]=4 1255 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,1,0,0,0,0|3,0,0]=4 1256 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,1,0,0,0,0|3,0,0]=4 1257 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,1,0,0,0,0|3,0,0]=4 1258 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,1,0,0,0,0|3,0,0]=4 1259 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,1,0,0,0,0|3,0,0]=4 1260 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,1,0,0,0,0|3,0,0]=4 1261 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,1,0,0,0,0|3,0,0]=4 1262 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,1,0,0,0,0|3,0,0]=4 1263 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,1,0,0,0,0|3,0,0]=4 1264 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,1,0,0,0,0|3,0,0]=4 1265 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,1,0,0,0,0|3,0,0]=4 1266 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,1,0,0,0,0|3,0,0]=4 1267 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,1,0,0,0,0|3,0,0]=4 1268 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,1,0,0,0,0|3,0,0]=4 1269 B7R0.11 CCC(C)(C)OCF 7a_100000210230_100015361967 [0,1,0,0,0,0|2,0,1]=4 1270 B7R0.11 CCCS(=O)(=O)NC 270084a_100102657272_100000211391 [0,1,0,0,0,0|3,0,0]=4 1271 B7R0.11 CCCS(=O)(=O)NC 274078a_100102657272_100000211391 [0,1,0,0,0,0|3,0,0]=4 1272 B7R0.11 CCCS(=O)(=O)NC 40a_100102657272_100000054278 [0,1,0,0,0,0|3,0,0]=4 1273 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [0,1,0,0,0,0|2,0,1]=4 1274 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [0,1,0,0,0,0|2,0,0]=3 1275 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [0,1,0,0,0,0|2,0,0]=3 1276 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [0,1,0,0,0,0|2,0,0]=3 1277 B7R0.11 CCNS(=O)(=O)CCl 270084a_100015525214_100000031410 [0,1,0,0,0,0|3,0,0]=4 1278 B7R0.11 CCNS(=O)(=O)CCl 274078a_100015525214_100000031410 [0,1,0,0,0,0|3,0,0]=4 1279 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,1,0,0,0,0|1,0,1]=3 1280 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [0,1,0,0,0,0|2,0,1]=4 1281 B7R0.11 CCS(=O)(=O)NNC 40a_100016993582_100000053943 [0,1,0,0,0,0|3,0,0]=4 1282 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [0,1,0,0,0,0|1,1,1]=4 1283 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [0,1,0,0,0,0|1,1,1]=4 1284 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [0,1,0,0,0,0|1,0,1]=3 1285 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [0,1,0,0,0,0|1,0,1]=3 1286 B7R0.12 C#CC(CC)OCF 34a_100000758843_100015361967 [0,1,0,0,0,0|2,0,1]=4 1287 B7R0.12 C#CC(CC)OCF 7a_100000758843_100015361967 [0,1,0,0,0,0|2,0,1]=4 1288 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,1,0,0,0,0|1,0,1]=3 1289 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,1,0,0,0,0|1,0,1]=3 1290 B7R0.12 C=CC(CC)OCF 34a_100000766422_100015361967 [0,1,0,0,0,0|2,0,1]=4 1291 B7R0.12 C=CC(CC)OCF 7a_100000766422_100015361967 [0,1,0,0,0,0|2,0,1]=4 1292 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [0,1,0,0,0,0|2,0,1]=4 1293 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,1,0,0,0,0|2,0,1]=4 1294 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,1,0,0,0,0|2,0,1]=4 1295 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,1,0,0,0,0|2,0,1]=4 1296 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,1,0,0,0,0|2,0,1]=4 1297 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,1,0,0,0,0|1,0,2]=4 1298 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,1,0,0,0,0|1,0,2]=4 1299 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,1,0,0,0,0|1,0,2]=4 1300 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,1,0,0,0,0|1,0,2]=4 1301 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,1,0,0,0,0|1,1,1]=4 1302 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,1,0,0,0,0|1,1,1]=4 1303 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,1,0,0,0,0|1,1,1]=4 1304 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,1,0,0,0,0|1,1,1]=4 1305 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [0,1,0,0,0,0|3,0,0]=4 1306 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [0,1,0,0,0,0|3,0,0]=4 1307 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [0,1,0,0,0,0|3,0,0]=4 1308 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [0,1,0,0,0,0|3,0,0]=4 1309 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [0,1,0,0,0,0|3,0,0]=4 1310 B7R0.12 CCCN(CC)CF 269982a_100000226822_100015361967 [0,1,0,0,0,0|3,0,0]=4 1311 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [0,1,0,0,0,0|2,0,1]=4 1312 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [0,1,0,0,0,0|2,0,1]=4 1313 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [0,1,0,0,0,0|1,0,2]=4 1314 B7R0.12 CCOC(C=O)C=O 34a_100121572206_100000736813 [0,1,0,0,0,0|1,0,2]=4 1315 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,1,0,0,0,0|1,0,1]=3 1316 B7R0.12 CCOC(CCl)CCl 7a_100000737055_100000210202 [0,1,0,0,0,0|2,0,1]=4 1317 B7R0.12 CCOC(CF)CF 34a_100000032261_100000210202 [0,1,0,0,0,0|2,0,1]=4 1318 B7R0.12 CCOC(CF)CF 7a_100000032261_100000210202 [0,1,0,0,0,0|2,0,1]=4 1319 B7R0.12 CCOC(CN)CN 34a_100000031598_100000210202 [0,1,0,0,0,0|2,0,1]=4 1320 B7R0.12 CCO[C@@H](CF)CCl 34a_100015614560_100000210202 [0,1,0,0,0,0|2,0,1]=4 1321 B7R0.12 CCO[C@@H](CF)CCl 7a_100015614560_100000210202 [0,1,0,0,0,0|2,0,1]=4 1322 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [0,1,0,0,0,0|1,1,1]=4 1323 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [0,1,0,0,0,0|1,1,1]=4 1324 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [0,0,0,1,0,0|3,0,0]=4 1325 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [0,0,0,1,0,0|3,0,0]=4 1326 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,0,0,1,0,0|2,0,1]=4 1327 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,0,0,1,0,0|2,0,1]=4 1328 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,1,0,0|3,0,0]=4 1329 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 1330 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 1331 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 1332 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 1333 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 1334 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 1335 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,1,0,0|3,0,0]=4 1336 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 1337 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 1338 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 1339 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 1340 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 1341 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 1342 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,1,0,0|3,0,0]=4 1343 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,1,0,0|3,0,0]=4 1344 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,1,0,0|3,0,0]=4 1345 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,1,0,0|3,0,0]=4 1346 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [0,0,0,1,0,0|3,0,0]=4 1347 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,0,0,1,0,0|2,0,1]=4 1348 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,0,0,1,0,0|2,0,1]=4 1349 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,0,0,1,0,0|2,0,1]=4 1350 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,0,0,1,0,0|1,0,1]=3 1351 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,0,0,1,0,0|1,0,1]=3 1352 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [0,0,0,1,0,0|2,0,1]=4 1353 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,0,0,1,0,0|2,0,1]=4 1354 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [0,0,0,1,0,0|1,1,1]=4 1355 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [0,0,0,1,0,0|2,0,1]=4 1356 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,0,0,1,0,0|2,0,1]=4 1357 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,0,0,1,0,0|2,0,1]=4 1358 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,0,0,1,0,0|2,0,0]=3 1359 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,0,0,1,0,0|2,0,0]=3 1360 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,0,0,1,0,0|2,0,0]=3 1361 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,0,0,1,0,0|2,0,0]=3 1362 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,0,0,1,0,0|2,0,0]=3 1363 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,0,0,1,0,0|2,0,0]=3 1364 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,0,0,1,0,0|2,0,0]=3 1365 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [0,0,0,1,0,0|3,0,0]=4 1366 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [0,0,0,1,0,0|3,0,0]=4 1367 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [0,0,0,1,0,0|3,0,0]=4 1368 B7R1.21 CC1(CC1)OCF 7a_100011725673_100015361967 [0,0,0,1,0,0|2,0,1]=4 1369 B7R1.21 CCNC1(CC1)C 2230a_100000757604_100000210202 [0,0,0,1,0,0|2,0,1]=4 1370 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [0,0,0,1,0,0|1,0,1]=3 1371 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,0,1,0,0|1,0,0]=2 1372 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,0,1,0,0|2,0,0]=3 1373 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [0,0,0,1,0,0|3,0,0]=4 1374 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [0,0,0,1,0,0|3,0,0]=4 1375 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [0,0,0,1,0,0|3,0,0]=4 1376 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [0,0,0,1,0,0|3,0,0]=4 1377 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [0,0,0,1,0,0|3,0,0]=4 1378 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [0,0,0,1,0,0|3,0,0]=4 1379 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [0,0,0,1,0,0|3,0,0]=4 1380 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,0,0,1,0,0|2,0,0]=3 1381 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,0,0,1,0,0|2,0,0]=3 1382 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,0,0,1,0,0|2,0,0]=3 1383 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,0,0,1,0,0|2,0,0]=3 1384 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,0,0,1,0,0|3,0,0]=4 1385 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,0,0,1,0,0|3,0,0]=4 1386 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,0,0,1,0,0|3,0,0]=4 1387 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,0,0,1,0,0|3,0,0]=4 1388 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,0,0,1,0,0|2,0,0]=3 1389 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,0,0,1,0,0|3,0,0]=4 1390 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [2,0,0,0,0,0|0,0,2]=4 1391 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [2,0,0,0,0,0|0,0,2]=4 1392 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|0,0,2]=4 1393 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|0,0,2]=4 1394 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,0]=3 1395 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,0]=3 1396 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|1,0,1]=4 1397 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,0]=2 1398 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,0]=2 1399 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,0]=2 1400 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|2,0,0]=4 1401 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|2,0,0]=4 1402 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|2,0,0]=4 1403 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|2,0,0]=4 1404 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|2,0,0]=4 1405 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|2,0,0]=4 1406 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,0]=3 1407 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 1408 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 1409 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,0]=3 1410 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|1,0,1]=4 1411 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|1,0,1]=4 1412 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,0]=3 1413 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 1414 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,1]=4 1415 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 1416 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|0,0,1]=3 1417 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|0,0,1]=3 1418 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|0,0,1]=3 1419 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|0,1,1]=4 1420 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|0,1,1]=4 1421 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|0,1,1]=4 1422 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|0,1,1]=4 1423 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|1,0,0]=3 1424 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|0,0,0]=2 1425 B4R0.2 CCOCF 34a_100121572206_100015361967 [2,0,0,0,0,0|1,0,0]=3 1426 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|0,1,0]=3 1427 B4R0.2 CCSCF 62a_100000210202_100015361967 [2,0,0,0,0,0|1,1,0]=4 1428 B4R0.2 CCSCF 62a_100015361967_100000210202 [2,0,0,0,0,0|1,1,0]=4 1429 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|2,0,0]=4 1430 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|2,0,0]=4 1431 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|2,0,0]=4 1432 B4R0.2 CNCOC 2230a_106832991635_100000766300 [2,0,0,0,0,0|1,0,1]=4 1433 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|2,0,0]=4 1434 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|1,0,1]=4 1435 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|1,0,1]=4 1436 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|1,0,1]=4 1437 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|1,0,1]=4 1438 B4R0.2 COCSC 34a_100138415774_100011218213 [2,0,0,0,0,0|1,0,1]=4 1439 B4R0.2 COCSC 62a_100000766300_200000210301 [2,0,0,0,0,0|1,0,1]=4 1440 B4R0.2 COCSC 62a_200000210301_100000766300 [2,0,0,0,0,0|1,0,1]=4 1441 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [2,0,0,0,0,0|1,0,1]=4 1442 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [2,0,0,0,0,0|1,0,1]=4 1443 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|2,0,0]=4 1444 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|2,0,0]=4 1445 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|1,0,1]=4 1446 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|1,0,1]=4 1447 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|2,0,0]=4 1448 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|2,0,0]=4 1449 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,1,0,0,0,0|1,0,1]=4 1450 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,1,0,0,0,0|1,0,1]=4 1451 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,1,0,0,0,0|1,0,1]=4 1452 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,1,0,0,0,0|1,0,1]=4 1453 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,1,0,0,0,0|1,0,1]=4 1454 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,1,0,0,0,0|1,0,1]=4 1455 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,1,0,0,0,0|1,0,1]=4 1456 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|1,0,0]=3 1457 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|1,0,0]=3 1458 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|1,0,0]=3 1459 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,1,0,0,0,0|2,0,0]=4 1460 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,1,0,0,0,0|2,0,0]=4 1461 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|1,0,0]=3 1462 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,1,0,0,0,0|2,0,0]=4 1463 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 1464 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 1465 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 1466 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|1,0,0]=3 1467 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|1,0,0]=3 1468 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [1,1,0,0,0,0|1,0,1]=4 1469 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,1,0,0,0,0|2,0,0]=4 1470 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|1,0,0]=3 1471 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,1,0,0,0,0|2,0,0]=4 1472 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,1,0,0,0,0|1,0,1]=4 1473 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,1,0,0,0,0|1,0,1]=4 1474 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,1,0,0,0,0|2,0,0]=4 1475 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,1,0,0,0,0|2,0,0]=4 1476 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,1,0,0,0,0|2,0,0]=4 1477 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,1,0,0,0,0|2,0,0]=4 1478 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,1,0,0,0,0|2,0,0]=4 1479 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,1,0,0,0,0|1,0,0]=3 1480 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,1,0,0,0,0|1,0,0]=3 1481 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,1,0,0,0,0|1,0,0]=3 1482 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,1,0,0,0,0|1,0,0]=3 1483 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,1,0,0,0,0|1,0,0]=3 1484 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,1,0,0,0,0|1,0,0]=3 1485 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,1,0,0,0,0|1,0,0]=3 1486 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,1,0,0,0,0|1,0,0]=3 1487 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,1,0,0,0,0|1,0,0]=3 1488 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,1,0,0,0,0|2,0,0]=4 1489 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,1,0,0,0,0|2,0,0]=4 1490 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,1,0,0,0,0|2,0,0]=4 1491 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,1,0,0,0,0|2,0,0]=4 1492 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,1,0,0,0,0|2,0,0]=4 1493 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,1,0,0,0,0|2,0,0]=4 1494 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,1,0,0,0,0|2,0,0]=4 1495 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,1,0,0,0,0|2,0,0]=4 1496 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,1,0,0,0,0|2,0,0]=4 1497 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,1,0,0,0,0|2,0,0]=4 1498 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,1,0,0,0,0|2,0,0]=4 1499 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,1,0,0,0,0|2,0,0]=4 1500 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,1,0,0,0,0|1,0,1]=4 1501 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,1,0,0,0,0|1,0,1]=4 1502 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,1,0,0,0,0|1,0,1]=4 1503 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,1,0,0,0,0|1,0,1]=4 1504 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,1,0,0,0,0|1,0,1]=4 1505 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,1,0,0,0,0|1,0,1]=4 1506 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,1,0,0,0,0|1,0,1]=4 1507 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|1,0,1]=4 1508 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,1,0,0,0,0|2,0,0]=4 1509 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,1,0,0,0,0|2,0,0]=4 1510 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,1,0,0,0,0|2,0,0]=4 1511 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|2,0,0]=4 1512 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|2,0,0]=4 1513 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|2,0,0]=4 1514 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,1,0,0,0,0|2,0,0]=4 1515 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,1,0,0,0,0|2,0,0]=4 1516 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,1,0,0,0,0|2,0,0]=4 1517 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,1,0,0,0,0|2,0,0]=4 1518 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|2,0,0]=4 1519 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|1,0,0]=3 1520 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|1,0,0]=3 1521 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [1,1,0,0,0,0|2,0,0]=4 1522 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|1,1,0]=4 1523 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|1,1,0]=4 1524 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,1,0,0,0,0|1,0,1]=4 1525 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,1,0,0,0,0|1,0,1]=4 1526 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,1,0,0,0,0|1,0,1]=4 1527 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,1,0,0,0,0|1,0,1]=4 1528 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,1,0,0,0,0|1,0,1]=4 1529 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,1,0,0,0,0|1,0,1]=4 1530 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,1,0,0,0,0|1,0,1]=4 1531 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,1,0,0,0,0|1,0,1]=4 1532 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,1,0,0,0,0|1,0,1]=4 1533 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,1,0,0,0,0|2,0,0]=4 1534 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,1,0,0,0,0|2,0,0]=4 1535 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,1,0,0,0,0|2,0,0]=4 1536 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,1,0,0,0,0|2,0,0]=4 1537 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,1,0,0,0,0|1,0,1]=4 1538 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,1,0,0,0,0|1,0,1]=4 1539 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,1,0,0,0,0|1,0,1]=4 1540 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|1,0,0]=3 1541 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|1,0,0]=3 1542 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|1,0,0]=3 1543 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|1,0,0]=3 1544 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|1,0,0]=3 1545 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|1,0,0]=3 1546 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|1,0,0]=3 1547 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,1,0,0,0,0|1,0,1]=4 1548 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,1,0,0,0,0|1,0,1]=4 1549 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|1,0,0]=3 1550 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|1,0,0]=3 1551 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|1,0,0]=3 1552 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|1,0,0]=3 1553 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|1,0,0]=3 1554 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|1,0,0]=3 1555 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|0,0,0]=2 1556 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|0,0,0]=2 1557 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,1,0,0,0,0|1,0,1]=4 1558 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,1,0,0,0,0|1,0,1]=4 1559 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,1,0,0,0,0|1,0,1]=4 1560 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,1,0,0,0,0|1,0,1]=4 1561 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,1,0,0,0,0|1,0,1]=4 1562 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,1,0,0,0,0|1,0,1]=4 1563 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|1,0,1]=4 1564 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|1,0,1]=4 1565 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|1,0,1]=4 1566 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,1,0,0,0,0|1,0,1]=4 1567 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|1,0,0]=3 1568 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|1,0,0]=3 1569 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|1,0,0]=3 1570 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|1,0,0]=3 1571 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|1,0,0]=3 1572 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|1,0,0]=3 1573 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|1,0,0]=3 1574 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|1,0,0]=3 1575 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|1,0,0]=3 1576 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|1,0,0]=3 1577 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|1,0,0]=3 1578 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,1,0,0,0,0|1,0,1]=4 1579 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,1,0,0,0,0|1,0,1]=4 1580 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|2,0,0]=4 1581 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|2,0,0]=4 1582 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|2,0,0]=4 1583 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|1,0,0]=3 1584 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|0,0,0]=2 1585 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|0,0,0]=2 1586 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,1,0,0,0,0|1,0,0]=3 1587 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|0,0,0]=2 1588 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,1,0,0,0,0|1,0,0]=3 1589 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,1,0,0,0,0|1,0,1]=4 1590 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,1,0,0,0,0|1,0,1]=4 1591 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,1,0,0,0,0|1,0,1]=4 1592 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,1,0,0,0,0|1,0,1]=4 1593 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,1,0,0,0,0|0,0,2]=4 1594 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,1,0,0,0,0|2,0,0]=4 1595 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,1,0,0,0,0|1,0,1]=4 1596 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,1,0,0,0,0|1,0,1]=4 1597 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,1,0,0,0,0|0,0,2]=4 1598 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,1,0,0,0,0|2,0,0]=4 1599 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|0,1,0]=3 1600 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,1,0,0,0,0|1,1,0]=4 1601 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,1,0,0,0,0|1,1,0]=4 1602 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|0,1,0]=3 1603 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,1,0,0,0,0|1,1,0]=4 1604 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,1,0,0,0,0|1,1,0]=4 1605 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,1,0,0,0,0|2,0,0]=4 1606 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,1,0,0,0,0|2,0,0]=4 1607 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,1,0,0,0,0|2,0,0]=4 1608 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,1,0,0,0,0|2,0,0]=4 1609 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|1,0,0]=3 1610 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,1,0,0,0,0|2,0,0]=4 1611 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,1,0,0,0,0|2,0,0]=4 1612 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,1,0,0,0,0|2,0,0]=4 1613 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|0,0,0]=2 1614 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,1,0,0,0,0|1,0,1]=4 1615 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,1,0,0,0,0|1,0,1]=4 1616 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,1,0,0,0,0|2,0,0]=4 1617 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|1,0,1]=4 1618 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|1,0,1]=4 1619 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,1,0,0,0,0|2,0,0]=4 1620 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,1,0,0,0,0|2,0,0]=4 1621 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|1,0,0]=3 1622 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|1,0,0]=3 1623 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|1,0,0]=3 1624 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|1,0,0]=3 1625 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,1,0,0,0,0|2,0,0]=4 1626 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,1,0,0,0,0|2,0,0]=4 1627 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,1,0,0,0,0|2,0,0]=4 1628 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|1,0,0]=3 1629 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|0,0,0]=2 1630 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,1,0,0,0,0|1,0,1]=4 1631 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,1,0,0,0,0|2,0,0]=4 1632 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,1,0,0,0,0|2,0,0]=4 1633 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|1,0,0]=3 1634 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|1,0,0]=3 1635 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|1,0,0]=3 1636 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|1,0,0]=3 1637 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,1,0,0,0,0|2,0,0]=4 1638 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,1,0,0,0,0|2,0,0]=4 1639 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|1,0,0]=3 1640 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|0,0,0]=2 1641 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|0,0,0]=2 1642 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,1,0,0,0,0|1,0,1]=4 1643 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,1,0,0,0,0|1,0,1]=4 1644 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,1,0,0,0,0|1,0,1]=4 1645 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,1,0,0,0,0|1,0,1]=4 1646 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,1,0,0,0,0|1,0,1]=4 1647 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,1,0,0,0,0|2,0,0]=4 1648 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,1,0,0,0,0|2,0,0]=4 1649 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,1,0,0,0,0|2,0,0]=4 1650 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,1,0,0,0,0|2,0,0]=4 1651 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,1,0,0,0,0|2,0,0]=4 1652 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [1,1,0,0,0,0|2,0,0]=4 1653 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [1,1,0,0,0,0|1,0,1]=4 1654 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [1,1,0,0,0,0|1,0,1]=4 1655 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [1,1,0,0,0,0|1,0,1]=4 1656 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [1,1,0,0,0,0|0,0,2]=4 1657 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [1,1,0,0,0,0|0,0,2]=4 1658 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [1,1,0,0,0,0|0,0,2]=4 1659 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [1,1,0,0,0,0|0,0,2]=4 1660 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,1,0,0,0,0|1,0,1]=4 1661 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,1,0,0,0,0|1,0,1]=4 1662 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,1,0,0,0,0|0,0,1]=3 1663 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,1,0,0,0,0|0,0,1]=3 1664 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [1,1,0,0,0,0|1,0,1]=4 1665 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,1,0,0,0,0|0,1,1]=4 1666 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,1,0,0,0,0|0,1,1]=4 1667 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,1,0,0,0,0|0,0,2]=4 1668 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,1,0,0,0,0|0,0,2]=4 1669 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,1,0,0,0,0|0,0,2]=4 1670 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,1,0,0,0,0|0,0,2]=4 1671 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [1,1,0,0,0,0|0,0,2]=4 1672 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [1,1,0,0,0,0|0,0,2]=4 1673 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,1,0,0,0,0|1,0,0]=3 1674 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,1,0,0,0,0|1,0,0]=3 1675 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,1,0,0,0,0|1,0,0]=3 1676 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,1,0,0,0,0|1,0,0]=3 1677 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,1,0,0,0,0|1,0,0]=3 1678 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,1,0,0,0,0|1,0,0]=3 1679 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,1,0,0,0,0|1,0,0]=3 1680 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,1,0,0,0,0|1,0,0]=3 1681 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,1,0,0,0,0|1,0,0]=3 1682 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,1,0,0,0,0|1,0,0]=3 1683 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,1,0,0,0,0|1,0,1]=4 1684 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,1,0,0,0,0|0,0,1]=3 1685 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,1,0,0,0,0|0,1,1]=4 1686 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,1,0,0,0,0|0,1,1]=4 1687 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [1,1,0,0,0,0|1,0,1]=4 1688 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [1,1,0,0,0,0|1,0,1]=4 1689 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [1,1,0,0,0,0|1,0,1]=4 1690 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [1,1,0,0,0,0|1,0,1]=4 1691 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [1,1,0,0,0,0|1,0,1]=4 1692 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [1,1,0,0,0,0|1,0,1]=4 1693 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [1,1,0,0,0,0|1,0,1]=4 1694 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [1,1,0,0,0,0|1,0,1]=4 1695 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [1,1,0,0,0,0|1,0,1]=4 1696 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [1,1,0,0,0,0|1,0,1]=4 1697 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,1,0,0,0,0|1,0,0]=3 1698 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,1,0,0,0,0|1,0,1]=4 1699 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,1,0,0,0,0|1,0,1]=4 1700 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,1,0,0,0,0|1,0,1]=4 1701 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,1,0,0,0,0|1,0,1]=4 1702 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,1,0,0,0,0|1,0,1]=4 1703 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,1,0,0,0,0|1,0,1]=4 1704 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,1,0,0,0,0|1,0,1]=4 1705 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,1,0,0,0,0|1,0,1]=4 1706 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,1,0,0,0,0|1,0,1]=4 1707 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,1,0,0,0,0|1,0,1]=4 1708 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,1,0,0,0,0|1,0,1]=4 1709 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,1,0,0,0,0|1,0,1]=4 1710 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,1,0,0,0,0|1,0,1]=4 1711 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,1,0,0,0,0|1,0,1]=4 1712 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,1,0,0,0,0|1,0,1]=4 1713 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,1,0,0,0,0|1,0,1]=4 1714 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,1,0,0,0,0|1,0,1]=4 1715 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,1,0,0,0,0|0,0,1]=3 1716 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,1,0,0,0,0|0,0,1]=3 1717 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,1,0,0,0,0|0,0,1]=3 1718 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,1,0,0,0,0|1,0,1]=4 1719 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,1,0,0,0,0|1,0,1]=4 1720 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,1,0,0,0,0|0,1,1]=4 1721 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,1,0,0,0,0|0,1,1]=4 1722 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,1,0,0,0,0|1,0,1]=4 1723 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,1,0,0,0,0|1,0,1]=4 1724 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,1,0,0,0,0|1,0,1]=4 1725 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,1,0,0,0,0|0,0,2]=4 1726 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,1,0,0,0,0|0,0,1]=3 1727 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,1,0,0,0,0|0,0,1]=3 1728 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,1,0,0,0,0|0,0,1]=3 1729 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,1,0,0,0,0|0,0,1]=3 1730 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,1,0,0,0,0|0,0,1]=3 1731 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,1,0,0,0,0|0,0,1]=3 1732 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,1,0,0,0,0|0,1,1]=4 1733 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,1,0,0,0,0|0,1,1]=4 1734 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,1,0,0,0,0|0,1,1]=4 1735 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,1,0,0,0,0|0,1,1]=4 1736 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,1,0,0,0,0|0,1,1]=4 1737 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,1,0,0,0,0|0,1,1]=4 1738 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,1,0,0,0,0|0,1,1]=4 1739 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,1,0,0,0,0|0,1,1]=4 1740 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,1,0,0,0,0|0,1,1]=4 1741 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,1,0,0,0,0|1,0,1]=4 1742 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,1,0,0,0,0|1,0,1]=4 1743 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,1,0,0,0,0|1,0,1]=4 1744 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,1,0,0,0,0|1,0,1]=4 1745 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,1,0,0,0,0|1,0,1]=4 1746 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,1,0,0,0,0|1,0,1]=4 1747 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,1,0,0,0,0|1,0,1]=4 1748 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,1,0,0,0,0|1,0,1]=4 1749 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,1,0,0,0,0|0,0,1]=3 1750 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,1,0,0,0,0|0,0,1]=3 1751 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,1,0,0,0,0|0,0,1]=3 1752 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,1,0,0,0,0|0,0,1]=3 1753 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,1,0,0,0,0|0,0,1]=3 1754 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,1,0,0,0,0|0,0,1]=3 1755 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,1,0,0,0,0|0,0,1]=3 1756 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,1,0,0,0,0|0,0,1]=3 1757 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,1,0,0,0,0|0,0,1]=3 1758 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,1,0,0,0,0|0,0,1]=3 1759 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,1,0,0,0,0|0,0,1]=3 1760 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,1,0,0,0,0|0,0,1]=3 1761 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,1,0,0,0,0|0,0,1]=3 1762 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,1,0,0,0,0|0,0,1]=3 1763 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,1,0,0,0,0|0,0,1]=3 1764 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,1,0,0,0,0|0,0,1]=3 1765 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,1,0,0,0,0|0,0,1]=3 1766 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,1,0,0,0,0|0,0,1]=3 1767 B6R0.6 CCOCCON 34a_100000700252_100000210202 [1,1,0,0,0,0|1,0,1]=4 1768 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,1,0,0,0,0|0,0,1]=3 1769 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,1,0,0,0,0|0,0,1]=3 1770 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,1,0,0,0,0|0,0,1]=3 1771 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,1,0,0,0,0|0,0,1]=3 1772 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,1,0,0,0,0|0,0,1]=3 1773 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,1,0,0,0,0|0,0,1]=3 1774 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,1,0,0,0,0|0,0,1]=3 1775 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,1,0,0,0,0|0,0,1]=3 1776 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,1,0,0,0,0|0,0,1]=3 1777 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,1,0,0,0,0|0,0,1]=3 1778 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,1,0,0,0,0|0,0,1]=3 1779 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [1,1,0,0,0,0|1,0,1]=4 1780 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [1,1,0,0,0,0|1,0,1]=4 1781 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,1,0,0,0,0|0,1,1]=4 1782 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,1,0,0,0,0|0,1,1]=4 1783 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,1,0,0,0,0|0,1,1]=4 1784 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,1,0,0,0,0|0,1,1]=4 1785 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,1,0,0,0,0|0,1,1]=4 1786 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,1,0,0,0,0|0,1,1]=4 1787 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,1,0,0,0,0|0,1,1]=4 1788 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,1,0,0,0,0|0,1,1]=4 1789 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,1,0,0,0,0|0,1,1]=4 1790 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,1,0,0,0,0|0,1,1]=4 1791 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,1,0,0,0,0|0,1,1]=4 1792 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,1,0,0,0,0|0,1,1]=4 1793 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,1,0,0,0,0|0,1,1]=4 1794 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,1,0,0,0,0|0,1,1]=4 1795 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,1,0,0,0,0|0,1,1]=4 1796 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,1,0,0,0,0|0,1,1]=4 1797 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,1,0,0,0,0|0,1,1]=4 1798 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,1,0,0,0,0|0,1,1]=4 1799 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,1,0,0,0,0|0,1,1]=4 1800 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,1,0,0,0,0|0,1,1]=4 1801 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,1,0,0,0,0|0,1,1]=4 1802 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,1,0,0,0,0|0,1,1]=4 1803 B6R0.6 COCCOCF 34a_100000210237_100015361967 [1,1,0,0,0,0|1,0,1]=4 1804 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [1,1,0,0,0,0|1,0,1]=4 1805 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [1,1,0,0,0,0|1,0,1]=4 1806 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [1,1,0,0,0,0|1,0,1]=4 1807 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [1,1,0,0,0,0|1,0,1]=4 1808 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [1,1,0,0,0,0|1,0,1]=4 1809 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [1,1,0,0,0,0|1,0,1]=4 1810 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [1,1,0,0,0,0|1,0,1]=4 1811 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [1,1,0,0,0,0|1,0,1]=4 1812 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [1,1,0,0,0,0|1,0,1]=4 1813 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [1,1,0,0,0,0|1,0,1]=4 1814 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [1,1,0,0,0,0|1,0,1]=4 1815 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [1,1,0,0,0,0|1,0,1]=4 1816 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [1,1,0,0,0,0|1,0,1]=4 1817 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [1,1,0,0,0,0|1,0,1]=4 1818 B6R0.8 CCS(=O)(=O)NC 270084a_100102657272_100000211323 [1,1,0,0,0,0|2,0,0]=4 1819 B6R0.8 CCS(=O)(=O)NC 274078a_100102657272_100000211323 [1,1,0,0,0,0|2,0,0]=4 1820 B6R0.8 CCS(=O)(=O)NC 40a_100102657272_100000053943 [1,1,0,0,0,0|2,0,0]=4 1821 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [1,1,0,0,0,0|1,0,1]=4 1822 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [1,1,0,0,0,0|1,0,1]=4 1823 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [1,1,0,0,0,0|1,0,1]=4 1824 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [1,1,0,0,0,0|1,0,1]=4 1825 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,1,0,0,0,0|1,0,1]=4 1826 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,1,0,0,0,0|1,0,1]=4 1827 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,1,0,0,0,0|1,0,1]=4 1828 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,1,0,0,0,0|1,0,1]=4 1829 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [1,1,0,0,0,0|1,0,1]=4 1830 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [1,1,0,0,0,0|1,0,1]=4 1831 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [1,1,0,0,0,0|1,0,1]=4 1832 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [1,1,0,0,0,0|1,0,1]=4 1833 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,1,0,0,0,0|0,0,2]=4 1834 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,1,0,0,0,0|0,0,2]=4 1835 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [1,1,0,0,0,0|0,1,1]=4 1836 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [1,1,0,0,0,0|0,1,1]=4 1837 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [1,1,0,0,0,0|0,1,1]=4 1838 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [1,1,0,0,0,0|0,1,1]=4 1839 B6R0.9 CCN(CC)CC 2230a_100000724800_100000210202 [1,1,0,0,0,0|2,0,0]=4 1840 B6R0.9 CCN(CC)CC 269956a_100000042499_100000210202 [1,1,0,0,0,0|2,0,0]=4 1841 B6R0.9 CCN(CC)CC 269982a_100000724800_100000204670 [1,1,0,0,0,0|2,0,0]=4 1842 B6R0.9 CCN(CC)CF 269956a_100000042499_100015361967 [1,1,0,0,0,0|2,0,0]=4 1843 B6R0.9 CCN(CC)CF 269982a_100000724800_100015361967 [1,1,0,0,0,0|2,0,0]=4 1844 B8R0.2 C/C=C(\C)/C(=O)C(C)C 1458a_100020587367_100000210206 [0,2,0,0,0,0|1,0,1]=4 1845 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,2,0,0,0,0|1,0,1]=4 1846 B8R0.2 C=C(C)C(=O)N(C)CC 11a_100000225621_100000185857 [0,2,0,0,0,0|1,0,1]=4 1847 B8R0.2 C=C(C)C(=O)N(C)CC 1626a_100000225621_100000185857 [0,2,0,0,0,0|1,0,1]=4 1848 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_100009893295_200025704644 [0,2,0,0,0,0|2,0,0]=4 1849 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_200025704644_100009893295 [0,2,0,0,0,0|2,0,0]=4 1850 B8R0.2 CC(C)C(=O)C(O)CO 1458a_100011215603_100000210206 [0,2,0,0,0,0|2,0,0]=4 1851 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [0,2,0,0,0,0|2,0,0]=4 1852 B8R0.2 CC(C)N(C)C(=O)CO 240690a_200000211004_100000210174 [0,2,0,0,0,0|2,0,0]=4 1853 B8R0.2 CC(C)N(C)C(=O)CO 527a_200000211004_100000210174 [0,2,0,0,0,0|2,0,0]=4 1854 B8R0.2 CC(C)[C@@H](O)C(=O)CF 1458a_100000691806_100015361967 [0,2,0,0,0,0|2,0,0]=4 1855 B8R0.2 CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210202 [0,2,0,0,0,0|2,0,0]=4 1856 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,2,0,0,0,0|1,0,1]=4 1857 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,2,0,0,0,0|1,0,1]=4 1858 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,2,0,0,0,0|1,0,0]=3 1859 B8R0.2 CCC(=O)C(C)N(C)C 2230a_100102631434_100000742827 [0,2,0,0,0,0|2,0,0]=4 1860 B8R0.2 CCC(=O)C(C)N(C)C 269982a_100102631434_100000742827 [0,2,0,0,0,0|2,0,0]=4 1861 B8R0.2 CCC(=O)N(C)C(C)C 11a_200000211004_100000210414 [0,2,0,0,0,0|1,0,0]=3 1862 B8R0.2 CCC(=O)N(C)C(C)C 1626a_200000211004_100000210414 [0,2,0,0,0,0|1,0,0]=3 1863 B8R0.2 CCC(=O)N(C)C(C)C 240690a_200000211004_100000210414 [0,2,0,0,0,0|1,0,0]=3 1864 B8R0.2 CCC(=O)N(C)C(C)C 527a_200000211004_100000210414 [0,2,0,0,0,0|1,0,0]=3 1865 B8R0.2 CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210202 [0,2,0,0,0,0|2,0,0]=4 1866 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [0,2,0,0,0,0|1,0,0]=3 1867 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [0,2,0,0,0,0|1,0,0]=3 1868 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [0,2,0,0,0,0|1,0,0]=3 1869 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [0,2,0,0,0,0|1,0,0]=3 1870 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [0,2,0,0,0,0|2,0,0]=4 1871 B8R0.2 CCC(C)C(=O)N(C)C 11a_100102631434_100011192722 [0,2,0,0,0,0|2,0,0]=4 1872 B8R0.2 CCC(C)C(=O)N(C)C 1626a_100102631434_100011192722 [0,2,0,0,0,0|2,0,0]=4 1873 B8R0.2 CCC(C)C(=O)N(C)C 240690a_100102631434_100011192722 [0,2,0,0,0,0|2,0,0]=4 1874 B8R0.2 CCC(C)C(=O)N(C)C 527a_100102631434_100011192722 [0,2,0,0,0,0|2,0,0]=4 1875 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,2,0,0,0,0|1,0,0]=3 1876 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,2,0,0,0,0|1,0,0]=3 1877 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [0,2,0,0,0,0|1,0,0]=3 1878 B8R0.2 CCC(O)C(=O)N(C)C 240690a_100102631434_100011196387 [0,2,0,0,0,0|2,0,0]=4 1879 B8R0.2 CCN(C)C(=O)C(C)C 11a_100000225621_100000210198 [0,2,0,0,0,0|1,0,0]=3 1880 B8R0.2 CCN(C)C(=O)C(C)C 1626a_100000225621_100000210198 [0,2,0,0,0,0|1,0,0]=3 1881 B8R0.2 CCN(C)C(=O)C(C)C 240690a_100000225621_100000210198 [0,2,0,0,0,0|1,0,0]=3 1882 B8R0.2 CCN(C)C(=O)C(C)C 527a_100000225621_100000210198 [0,2,0,0,0,0|1,0,0]=3 1883 B8R0.2 CCN(C)C(=O)C(C)F 11a_100000225621_100000062450 [0,2,0,0,0,0|1,0,0]=3 1884 B8R0.2 CCN(C)C(=O)C(C)F 1626a_100000225621_100000062450 [0,2,0,0,0,0|1,0,0]=3 1885 B8R0.2 CCN(C)C(=O)C(C)F 240690a_100000225621_100000062450 [0,2,0,0,0,0|1,0,0]=3 1886 B8R0.2 CCN(C)C(=O)C(C)F 527a_100000225621_100000062450 [0,2,0,0,0,0|1,0,0]=3 1887 B8R0.2 CCN(C)C(=O)C(F)F 11a_100000225621_100000210393 [0,2,0,0,0,0|2,0,0]=4 1888 B8R0.2 CCN(C)C(=O)C(F)F 1626a_100000225621_100000210393 [0,2,0,0,0,0|2,0,0]=4 1889 B8R0.2 CCN(C)C(=O)C(F)F 240690a_100000225621_100000210393 [0,2,0,0,0,0|2,0,0]=4 1890 B8R0.2 CCN(C)C(=O)C(F)F 527a_100000225621_100000210393 [0,2,0,0,0,0|2,0,0]=4 1891 B8R0.2 CCN(C)C(=O)C(O)O 240690a_100000225621_100000233687 [0,2,0,0,0,0|2,0,0]=4 1892 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [0,2,0,0,0,0|1,0,0]=3 1893 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [0,2,0,0,0,0|1,0,0]=3 1894 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [0,2,0,0,0,0|1,0,0]=3 1895 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [0,2,0,0,0,0|2,0,0]=4 1896 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [0,2,0,0,0,0|2,0,0]=4 1897 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [0,2,0,0,0,0|2,0,0]=4 1898 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [0,2,0,0,0,0|2,0,0]=4 1899 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [0,2,0,0,0,0|2,0,0]=4 1900 B8R0.2 CNC(=O)N(C)C(C)C 2708a_100102657272_200000211004 [0,2,0,0,0,0|2,0,0]=4 1901 B8R0.2 CNC(=O)N(C)C(C)C 273464a_100102657272_200000211004 [0,2,0,0,0,0|2,0,0]=4 1902 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [0,2,0,0,0,0|2,0,0]=4 1903 B8R0.2 CNC(C)C(=O)C(C)C 2230a_106832991635_100009893295 [0,2,0,0,0,0|2,0,0]=4 1904 B8R0.2 CNC(C)C(=O)C(C)C 7a_106832991635_100009893295 [0,2,0,0,0,0|2,0,0]=4 1905 B8R0.2 COC(C)C(=O)C(C)C 1458a_100000743197_100000210206 [0,2,0,0,0,0|2,0,0]=4 1906 B8R0.2 CSC(C)C(=O)C(C)C 1458a_100000149566_100000210206 [0,2,0,0,0,0|2,0,0]=4 1907 B8R0.2 CSC(C)C(=O)C(C)C 62a_100009893295_200000210301 [0,2,0,0,0,0|2,0,0]=4 1908 B8R0.2 CSC(C)C(=O)C(C)C 62a_200000210301_100009893295 [0,2,0,0,0,0|2,0,0]=4 1909 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [0,2,0,0,0,0|1,0,1]=4 1910 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [0,2,0,0,0,0|1,0,1]=4 1911 B8R0.5 C#CCC(=O)CC(C)O 1458a_100011220946_100011218427 [0,2,0,0,0,0|1,0,1]=4 1912 B8R0.5 C#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000184674 [0,2,0,0,0,0|1,0,1]=4 1913 B8R0.5 C#CCC(=O)NC(C)C 1626a_100138425928_100011220946 [0,2,0,0,0,0|1,0,1]=4 1914 B8R0.5 C#CCC(=O)NC(C)C 527a_100138425928_100011220946 [0,2,0,0,0,0|1,0,1]=4 1915 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [0,2,0,0,0,0|1,0,1]=4 1916 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,2,0,0,0,0|1,0,1]=4 1917 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,2,0,0,0,0|1,0,0]=3 1918 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,2,0,0,0,0|1,0,1]=4 1919 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,2,0,0,0,0|1,0,1]=4 1920 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,2,0,0,0,0|1,0,1]=4 1921 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,2,0,0,0,0|2,0,0]=4 1922 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,2,0,0,0,0|2,0,0]=4 1923 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,2,0,0,0,0|1,0,1]=4 1924 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,2,0,0,0,0|1,0,1]=4 1925 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,2,0,0,0,0|1,0,1]=4 1926 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [0,2,0,0,0,0|1,0,1]=4 1927 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [0,2,0,0,0,0|1,0,1]=4 1928 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [0,2,0,0,0,0|1,0,1]=4 1929 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [0,2,0,0,0,0|1,0,1]=4 1930 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [0,2,0,0,0,0|1,0,1]=4 1931 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [0,2,0,0,0,0|1,0,1]=4 1932 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,2,0,0,0,0|0,0,2]=4 1933 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [0,2,0,0,0,0|0,0,2]=4 1934 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [0,2,0,0,0,0|0,0,2]=4 1935 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,2,0,0,0,0|1,0,1]=4 1936 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [0,2,0,0,0,0|1,0,1]=4 1937 B8R0.5 CC#CC(=O)CC(F)F 1458a_100000763181_100011934356 [0,2,0,0,0,0|1,0,1]=4 1938 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,2,0,0,0,0|1,0,1]=4 1939 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,2,0,0,0,0|1,0,1]=4 1940 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [0,2,0,0,0,0|1,0,1]=4 1941 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,2,0,0,0,0|1,0,1]=4 1942 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,2,0,0,0,0|1,0,1]=4 1943 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [0,2,0,0,0,0|1,0,1]=4 1944 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,2,0,0,0,0|2,0,0]=4 1945 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,2,0,0,0,0|1,0,1]=4 1946 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [0,2,0,0,0,0|1,0,1]=4 1947 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [0,2,0,0,0,0|1,0,1]=4 1948 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,2,0,0,0,0|1,0,0]=3 1949 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,2,0,0,0,0|1,0,0]=3 1950 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,2,0,0,0,0|1,0,0]=3 1951 B8R0.5 CC(C)NC(=O)CC#N 1626a_100138425928_100051588842 [0,2,0,0,0,0|1,0,1]=4 1952 B8R0.5 CC(C)NC(=O)CC#N 240690a_100138425928_100051588842 [0,2,0,0,0,0|1,0,1]=4 1953 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,2,0,0,0,0|1,0,0]=3 1954 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,2,0,0,0,0|1,0,0]=3 1955 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,2,0,0,0,0|1,0,0]=3 1956 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,2,0,0,0,0|1,0,0]=3 1957 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,2,0,0,0,0|0,0,0]=2 1958 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,2,0,0,0,0|0,0,0]=2 1959 B8R0.5 CC(C)OC(C)CCBr 34a_100012276601_100000210206 [0,2,0,0,0,0|1,0,1]=4 1960 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [0,2,0,0,0,0|1,0,1]=4 1961 B8R0.5 CC(O)CC(=O)CC#N 1458a_100051588842_100011218427 [0,2,0,0,0,0|1,0,1]=4 1962 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,2,0,0,0,0|1,0,0]=3 1963 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,2,0,0,0,0|1,0,1]=4 1964 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,2,0,0,0,0|1,0,1]=4 1965 B8R0.5 CC=CC(=O)CC(F)F 1458a_100000210699_100011934356 [0,2,0,0,0,0|1,0,1]=4 1966 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,2,0,0,0,0|1,0,1]=4 1967 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,2,0,0,0,0|1,0,1]=4 1968 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,2,0,0,0,0|1,0,1]=4 1969 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,2,0,0,0,0|1,0,1]=4 1970 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,2,0,0,0,0|1,0,1]=4 1971 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,2,0,0,0,0|1,0,1]=4 1972 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,2,0,0,0,0|1,0,0]=3 1973 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,2,0,0,0,0|1,0,1]=4 1974 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,2,0,0,0,0|1,0,1]=4 1975 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,2,0,0,0,0|1,0,1]=4 1976 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,2,0,0,0,0|1,0,0]=3 1977 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,2,0,0,0,0|1,0,0]=3 1978 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,2,0,0,0,0|1,0,0]=3 1979 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,2,0,0,0,0|1,0,0]=3 1980 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,2,0,0,0,0|1,0,0]=3 1981 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,2,0,0,0,0|1,0,0]=3 1982 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,2,0,0,0,0|1,0,0]=3 1983 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,2,0,0,0,0|1,0,0]=3 1984 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,2,0,0,0,0|2,0,0]=4 1985 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,2,0,0,0,0|1,0,0]=3 1986 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,2,0,0,0,0|1,0,0]=3 1987 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,2,0,0,0,0|1,0,0]=3 1988 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,2,0,0,0,0|1,0,0]=3 1989 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,2,0,0,0,0|1,0,0]=3 1990 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,2,0,0,0,0|1,0,1]=4 1991 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,2,0,0,0,0|1,0,1]=4 1992 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,2,0,0,0,0|1,0,1]=4 1993 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,2,0,0,0,0|2,0,0]=4 1994 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,2,0,0,0,0|2,0,0]=4 1995 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,2,0,0,0,0|1,0,1]=4 1996 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,2,0,0,0,0|1,0,1]=4 1997 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,2,0,0,0,0|1,0,1]=4 1998 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,2,0,0,0,0|1,0,1]=4 1999 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,2,0,0,0,0|1,0,1]=4 2000 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,2,0,0,0,0|1,0,0]=3 2001 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,2,0,0,0,0|1,0,1]=4 2002 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,2,0,0,0,0|1,0,1]=4 2003 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,2,0,0,0,0|1,0,0]=3 2004 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,2,0,0,0,0|1,0,0]=3 2005 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,2,0,0,0,0|1,0,0]=3 2006 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,2,0,0,0,0|1,0,0]=3 2007 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,2,0,0,0,0|1,0,0]=3 2008 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,2,0,0,0,0|1,0,0]=3 2009 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,2,0,0,0,0|1,0,0]=3 2010 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,2,0,0,0,0|1,0,0]=3 2011 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,2,0,0,0,0|1,0,0]=3 2012 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,2,0,0,0,0|1,0,0]=3 2013 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,2,0,0,0,0|1,0,0]=3 2014 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,2,0,0,0,0|1,0,0]=3 2015 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,2,0,0,0,0|1,0,0]=3 2016 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,2,0,0,0,0|1,0,0]=3 2017 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,2,0,0,0,0|1,0,0]=3 2018 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,2,0,0,0,0|1,0,0]=3 2019 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,2,0,0,0,0|1,0,0]=3 2020 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,2,0,0,0,0|1,0,0]=3 2021 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,2,0,0,0,0|1,0,0]=3 2022 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,2,0,0,0,0|1,0,0]=3 2023 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,2,0,0,0,0|1,0,0]=3 2024 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,2,0,0,0,0|0,0,0]=2 2025 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,2,0,0,0,0|0,0,0]=2 2026 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,2,0,0,0,0|0,0,0]=2 2027 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,2,0,0,0,0|0,0,0]=2 2028 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,2,0,0,0,0|0,0,0]=2 2029 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,2,0,0,0,0|0,0,0]=2 2030 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,2,0,0,0,0|0,0,0]=2 2031 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,2,0,0,0,0|1,0,1]=4 2032 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,2,0,0,0,0|1,0,1]=4 2033 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,2,0,0,0,0|1,0,1]=4 2034 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [0,2,0,0,0,0|2,0,0]=4 2035 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,2,0,0,0,0|2,0,0]=4 2036 B8R0.5 CN(C)CC(=O)NCO 2230a_100102631434_100000185155 [0,2,0,0,0,0|2,0,0]=4 2037 B8R0.5 CN(C)CC(=O)NCO 269982a_100102631434_100000185155 [0,2,0,0,0,0|2,0,0]=4 2038 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,2,0,0,0,0|1,0,1]=4 2039 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,2,0,0,0,0|1,0,0]=3 2040 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,2,0,0,0,0|1,0,0]=3 2041 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,2,0,0,0,0|1,0,0]=3 2042 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,2,0,0,0,0|1,0,0]=3 2043 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,2,0,0,0,0|0,0,0]=2 2044 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,2,0,0,0,0|0,0,0]=2 2045 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,2,0,0,0,0|0,0,0]=2 2046 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,2,0,0,0,0|2,0,0]=4 2047 B8R0.5 CNNC(=O)CN(C)C 22a_100016993582_100000750896 [0,2,0,0,0,0|2,0,0]=4 2048 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [0,2,0,0,0,0|2,0,0]=4 2049 B8R0.5 CNNC(=O)C[S+](C)C 22a_100016993582_200159257847 [0,2,0,0,0,0|2,0,0]=4 2050 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [0,2,0,0,0,0|2,0,0]=4 2051 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [0,2,0,0,0,0|2,0,0]=4 2052 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [0,2,0,0,0,0|2,0,0]=4 2053 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,2,0,0,0,0|1,0,0]=3 2054 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,2,0,0,0,0|1,0,0]=3 2055 B8R0.5 COCC(=O)CC(F)F 1458a_100000210968_100011934356 [0,2,0,0,0,0|2,0,0]=4 2056 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,2,0,0,0,0|1,0,0]=3 2057 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,2,0,0,0,0|1,0,0]=3 2058 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,2,0,0,0,0|1,0,0]=3 2059 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,2,0,0,0,0|1,0,0]=3 2060 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,2,0,0,0,0|1,0,0]=3 2061 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,2,0,0,0,0|0,0,0]=2 2062 B8R0.5 COCC(C)OC(C)C 34a_100000212225_100000765312 [0,2,0,0,0,0|1,0,1]=4 2063 B8R0.5 COC[C@@H](C)OC(C)C 34a_100011934205_100000210206 [0,2,0,0,0,0|1,0,1]=4 2064 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,2,0,0,0,0|1,0,0]=3 2065 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,2,0,0,0,0|1,0,0]=3 2066 B8R0.5 CSCC(=O)CC(F)F 1458a_100000184570_100011934356 [0,2,0,0,0,0|2,0,0]=4 2067 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,2,0,0,0,0|1,0,1]=4 2068 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,2,0,0,0,0|1,0,0]=3 2069 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,2,0,0,0,0|1,0,0]=3 2070 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,2,0,0,0,0|1,0,0]=3 2071 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,2,0,0,0,0|1,0,0]=3 2072 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,2,0,0,0,0|1,0,0]=3 2073 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,2,0,0,0,0|1,0,0]=3 2074 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,2,0,0,0,0|0,0,0]=2 2075 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,2,0,0,0,0|0,0,0]=2 2076 B8R0.5 C[C@@H](O)CC(=O)CC#N 1458a_100011933948_100011214920 [0,2,0,0,0,0|1,0,1]=4 2077 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,2,0,0,0,0|1,0,0]=3 2078 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,2,0,0,0,0|1,0,0]=3 2079 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [0,2,0,0,0,0|2,0,0]=4 2080 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,2,0,0,0,0|2,0,0]=4 2081 B8R0.5 O=C(CCO)CC(F)F 1458a_100011216618_100011934356 [0,2,0,0,0,0|2,0,0]=4 2082 B8R0.16 C#CC(CC)OC(C)C 34a_100000758843_100000210206 [0,2,0,0,0,0|1,0,1]=4 2083 B8R0.16 C#CC(CC)OC(C)C 7a_100000758843_100000210206 [0,2,0,0,0,0|1,0,1]=4 2084 B8R0.16 C=CC(CC)OC(C)C 34a_100000766422_100000210206 [0,2,0,0,0,0|1,0,1]=4 2085 B8R0.16 C=CC(CC)OC(C)C 7a_100000766422_100000210206 [0,2,0,0,0,0|1,0,1]=4 2086 B8R0.16 CCC(CC)OC(C)C 7a_100000688536_100000210206 [0,2,0,0,0,0|1,0,1]=4 2087 B8R0.19 C#CC(C)NC(=O)CC 11a_100000707721_100000210414 [0,2,0,0,0,0|1,0,0]=3 2088 B8R0.19 C#CC(C)NC(=O)CC 1626a_100000707721_100000210414 [0,2,0,0,0,0|1,0,0]=3 2089 B8R0.19 C#CC(C)NC(=O)CC 240690a_100000707721_100000210414 [0,2,0,0,0,0|1,0,0]=3 2090 B8R0.19 C#CC(C)NC(=O)CC 527a_100000707721_100000210414 [0,2,0,0,0,0|1,0,0]=3 2091 B8R0.19 C#CC(C)NC(=O)CO 240690a_100000707721_100000210174 [0,2,0,0,0,0|2,0,0]=4 2092 B8R0.19 C#CC(C)NC(=O)CO 527a_100000707721_100000210174 [0,2,0,0,0,0|2,0,0]=4 2093 B8R0.19 C#CC(C)NC(=O)NC 2708a_100000707721_106832991635 [0,2,0,0,0,0|2,0,0]=4 2094 B8R0.19 C#CC(C)NC(=O)NC 2708a_100102657272_100000707721 [0,2,0,0,0,0|2,0,0]=4 2095 B8R0.19 C#CC(C)NC(=O)NC 273464a_100000707721_100102657272 [0,2,0,0,0,0|2,0,0]=4 2096 B8R0.19 C#CC(C)NC(=O)NC 273464a_100102657272_100000707721 [0,2,0,0,0,0|2,0,0]=4 2097 B8R0.19 C#CC(C)NC(=O)NC 512a_100000707721_100102657272 [0,2,0,0,0,0|2,0,0]=4 2098 B8R0.19 C#CC(C)NC(=O)NC 512a_106832991638_100000707721 [0,2,0,0,0,0|2,0,0]=4 2099 B8R0.19 C#C[C@@H](C)OC(C)CC 34a_100009815206_100011215416 [0,2,0,0,0,0|1,0,1]=4 2100 B8R0.19 C#C[C@@H](C)OC(C)CC 7a_100009815206_100000758301 [0,2,0,0,0,0|1,0,1]=4 2101 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,2,0,0,0,0|1,0,0]=3 2102 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [0,2,0,0,0,0|2,0,0]=4 2103 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,2,0,0,0,0|2,0,0]=4 2104 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,2,0,0,0,0|2,0,0]=4 2105 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,2,0,0,0,0|2,0,0]=4 2106 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,2,0,0,0,0|2,0,0]=4 2107 B8R0.19 C=CC(C)OC(C)CC 34a_100000695699_100011215416 [0,2,0,0,0,0|1,0,1]=4 2108 B8R0.19 CC(C#N)NC(=O)CO 527a_100000737613_100000210174 [0,2,0,0,0,0|2,0,0]=4 2109 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [0,2,0,0,0,0|2,0,0]=4 2110 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,2,0,0,0,0|2,0,0]=4 2111 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,2,0,0,0,0|2,0,0]=4 2112 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,2,0,0,0,0|2,0,0]=4 2113 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,2,0,0,0,0|1,0,0]=3 2114 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,2,0,0,0,0|1,0,0]=3 2115 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,2,0,0,0,0|1,0,1]=4 2116 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,2,0,0,0,0|1,0,1]=4 2117 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,2,0,0,0,0|1,0,1]=4 2118 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,2,0,0,0,0|1,0,1]=4 2119 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,2,0,0,0,0|1,0,0]=3 2120 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,2,0,0,0,0|1,0,0]=3 2121 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,2,0,0,0,0|1,0,0]=3 2122 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,2,0,0,0,0|1,0,0]=3 2123 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,2,0,0,0,0|1,0,0]=3 2124 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,2,0,0,0,0|1,0,0]=3 2125 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,2,0,0,0,0|1,0,0]=3 2126 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,2,0,0,0,0|1,0,0]=3 2127 B8R0.19 CCC(=O)NC(C)C#N 11a_100000737613_100000210414 [0,2,0,0,0,0|1,0,0]=3 2128 B8R0.19 CCC(=O)NC(C)C#N 1626a_100000737613_100000210414 [0,2,0,0,0,0|1,0,0]=3 2129 B8R0.19 CCC(=O)NC(C)C#N 527a_100000737613_100000210414 [0,2,0,0,0,0|1,0,0]=3 2130 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,2,0,0,0,0|1,0,0]=3 2131 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,2,0,0,0,0|1,0,0]=3 2132 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,2,0,0,0,0|1,0,0]=3 2133 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,2,0,0,0,0|1,0,0]=3 2134 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,2,0,0,0,0|1,0,0]=3 2135 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,2,0,0,0,0|1,0,0]=3 2136 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,2,0,0,0,0|1,0,0]=3 2137 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,2,0,0,0,0|1,0,0]=3 2138 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,2,0,0,0,0|1,0,0]=3 2139 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,2,0,0,0,0|1,0,0]=3 2140 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,2,0,0,0,0|2,0,0]=4 2141 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,2,0,0,0,0|2,0,0]=4 2142 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,2,0,0,0,0|2,0,0]=4 2143 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,2,0,0,0,0|2,0,0]=4 2144 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,2,0,0,0,0|2,0,0]=4 2145 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,2,0,0,0,0|2,0,0]=4 2146 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,2,0,0,0,0|2,0,0]=4 2147 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,2,0,0,0,0|2,0,0]=4 2148 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,2,0,0,0,0|2,0,0]=4 2149 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,2,0,0,0,0|2,0,0]=4 2150 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,2,0,0,0,0|2,0,0]=4 2151 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,2,0,0,0,0|2,0,0]=4 2152 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,2,0,0,0,0|2,0,0]=4 2153 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,2,0,0,0,0|2,0,0]=4 2154 B8R0.19 CCC(C)OC(C)C#N 34a_100011218135_100011215416 [0,2,0,0,0,0|1,0,1]=4 2155 B8R0.19 CCC(C)OC(C)C#N 7a_100000210228_100000703298 [0,2,0,0,0,0|1,0,1]=4 2156 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [0,2,0,0,0,0|1,0,1]=4 2157 B8R0.19 CCC(C)OC(C)CF 34a_100016041109_100011215416 [0,2,0,0,0,0|1,0,1]=4 2158 B8R0.19 CCC(C)OC(C)CF 7a_100016041109_100000758301 [0,2,0,0,0,0|1,0,1]=4 2159 B8R0.19 CCC(C)OC(C)CN 34a_100000210904_100011215416 [0,2,0,0,0,0|1,0,1]=4 2160 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,2,0,0,0,0|1,0,1]=4 2161 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,2,0,0,0,0|2,0,0]=4 2162 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,2,0,0,0,0|2,0,0]=4 2163 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,2,0,0,0,0|2,0,0]=4 2164 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,2,0,0,0,0|2,0,0]=4 2165 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,2,0,0,0,0|2,0,0]=4 2166 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,2,0,0,0,0|2,0,0]=4 2167 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,2,0,0,0,0|2,0,0]=4 2168 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,2,0,0,0,0|2,0,0]=4 2169 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,2,0,0,0,0|2,0,0]=4 2170 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,2,0,0,0,0|2,0,0]=4 2171 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,2,0,0,0,0|2,0,0]=4 2172 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,2,0,0,0,0|2,0,0]=4 2173 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,2,0,0,0,0|2,0,0]=4 2174 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,2,0,0,0,0|2,0,0]=4 2175 B8R0.19 CNC(=O)NC(C)C#N 2708a_100000737613_106832991635 [0,2,0,0,0,0|2,0,0]=4 2176 B8R0.19 CNC(=O)NC(C)C#N 2708a_100102657272_100000737613 [0,2,0,0,0,0|2,0,0]=4 2177 B8R0.19 CNC(=O)NC(C)C#N 273464a_100000737613_100102657272 [0,2,0,0,0,0|2,0,0]=4 2178 B8R0.19 CNC(=O)NC(C)C#N 273464a_100102657272_100000737613 [0,2,0,0,0,0|2,0,0]=4 2179 B8R0.19 CNC(=O)NC(C)C#N 512a_100000737613_100102657272 [0,2,0,0,0,0|2,0,0]=4 2180 B8R0.19 CNC(=O)NC(C)C#N 512a_106832991638_100000737613 [0,2,0,0,0,0|2,0,0]=4 2181 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,2,0,0,0,0|2,0,0]=4 2182 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,2,0,0,0,0|2,0,0]=4 2183 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,2,0,0,0,0|2,0,0]=4 2184 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,2,0,0,0,0|2,0,0]=4 2185 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,2,0,0,0,0|2,0,0]=4 2186 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,2,0,0,0,0|2,0,0]=4 2187 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,2,0,0,0,0|2,0,0]=4 2188 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,2,0,0,0,0|2,0,0]=4 2189 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,2,0,0,0,0|2,0,0]=4 2190 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,2,0,0,0,0|2,0,0]=4 2191 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,2,0,0,0,0|2,0,0]=4 2192 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,2,0,0,0,0|2,0,0]=4 2193 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,2,0,0,0,0|2,0,0]=4 2194 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,2,0,0,0,0|2,0,0]=4 2195 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,2,0,0,0,0|2,0,0]=4 2196 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,2,0,0,0,0|2,0,0]=4 2197 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,2,0,0,0,0|2,0,0]=4 2198 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,2,0,0,0,0|2,0,0]=4 2199 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,2,0,0,0,0|2,0,0]=4 2200 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,2,0,0,0,0|2,0,0]=4 2201 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,2,0,0,0,0|2,0,0]=4 2202 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,2,0,0,0,0|2,0,0]=4 2203 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,2,0,0,0,0|1,0,1]=4 2204 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,2,0,0,0,0|1,0,1]=4 2205 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,2,0,0,0,0|1,0,1]=4 2206 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,2,0,0,0,0|1,0,1]=4 2207 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,2,0,0,0,0|1,0,1]=4 2208 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [0,2,0,0,0,0|1,0,1]=4 2209 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [0,2,0,0,0,0|1,0,1]=4 2210 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [0,2,0,0,0,0|1,0,1]=4 2211 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,2,0,0,0,0|1,0,1]=4 2212 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [0,2,0,0,0,0|1,0,1]=4 2213 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [0,2,0,0,0,0|1,0,1]=4 2214 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,2,0,0,0,0|1,0,1]=4 2215 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,2,0,0,0,0|1,0,1]=4 2216 B8R0.23 CC(C)C(=O)CC(F)F 1458a_100000210198_100011934356 [0,2,0,0,0,0|2,0,0]=4 2217 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [0,2,0,0,0,0|2,0,0]=4 2218 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [0,2,0,0,0,0|2,0,0]=4 2219 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [0,2,0,0,0,0|2,0,0]=4 2220 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,2,0,0,0,0|1,0,0]=3 2221 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [0,2,0,0,0,0|2,0,0]=4 2222 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,2,0,0,0,0|1,0,0]=3 2223 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,2,0,0,0,0|1,0,0]=3 2224 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,2,0,0,0,0|1,0,0]=3 2225 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [0,2,0,0,0,0|2,0,0]=4 2226 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,2,0,0,0,0|2,0,0]=4 2227 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,2,0,0,0,0|2,0,0]=4 2228 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,2,0,0,0,0|2,0,0]=4 2229 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,2,0,0,0,0|2,0,0]=4 2230 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,2,0,0,0,0|1,0,0]=3 2231 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,2,0,0,0,0|1,0,0]=3 2232 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,2,0,0,0,0|1,0,1]=4 2233 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [0,2,0,0,0,0|1,0,0]=3 2234 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [0,2,0,0,0,0|1,0,0]=3 2235 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [0,2,0,0,0,0|1,0,0]=3 2236 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [0,2,0,0,0,0|1,0,0]=3 2237 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [0,2,0,0,0,0|1,0,0]=3 2238 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [0,2,0,0,0,0|1,0,0]=3 2239 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [0,2,0,0,0,0|1,0,0]=3 2240 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [0,2,0,0,0,0|1,0,0]=3 2241 B8R0.23 CC(C)NC(=O)C(F)F 11a_100138425928_100000210393 [0,2,0,0,0,0|2,0,0]=4 2242 B8R0.23 CC(C)NC(=O)C(F)F 1626a_100138425928_100000210393 [0,2,0,0,0,0|2,0,0]=4 2243 B8R0.23 CC(C)NC(=O)C(F)F 240690a_100138425928_100000210393 [0,2,0,0,0,0|2,0,0]=4 2244 B8R0.23 CC(C)NC(=O)C(F)F 527a_100138425928_100000210393 [0,2,0,0,0,0|2,0,0]=4 2245 B8R0.23 CC(C)NC(=O)C(O)O 240690a_100138425928_100000233687 [0,2,0,0,0,0|2,0,0]=4 2246 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [0,2,0,0,0,0|2,0,0]=4 2247 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,2,0,0,0,0|1,0,0]=3 2248 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,2,0,0,0,0|1,0,0]=3 2249 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,2,0,0,0,0|1,0,0]=3 2250 B8R0.23 CC(C)OC(C)C(C)C 7a_100000748068_100000210206 [0,2,0,0,0,0|1,0,1]=4 2251 B8R0.23 CC(F)C(=O)CC(F)F 1458a_100000062450_100011934356 [0,2,0,0,0,0|2,0,0]=4 2252 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,2,0,0,0,0|1,0,0]=3 2253 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,2,0,0,0,0|1,0,0]=3 2254 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [0,2,0,0,0,0|2,0,0]=4 2255 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,2,0,0,0,0|1,0,0]=3 2256 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,2,0,0,0,0|1,0,0]=3 2257 B8R0.23 C[C@@H](O)C(=O)CC(F)F 1458a_100000717761_100011934356 [0,2,0,0,0,0|2,0,0]=4 2258 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [0,2,0,0,0,0|2,0,0]=4 2259 B8R0.23 C[C@H](O)C(=O)CC(F)F 1458a_217856618621_100011934356 [0,2,0,0,0,0|2,0,0]=4 2260 B8R0.24 CC(C)(C)CC(=O)CF 1458a_100000211214_100015361967 [0,2,0,0,0,0|2,0,0]=4 2261 B8R0.24 CC(C)(C)NC(=O)CO 240690a_100000715429_100000210174 [0,2,0,0,0,0|2,0,0]=4 2262 B8R0.24 CC(C)(C)NC(=O)CO 527a_100000715429_100000210174 [0,2,0,0,0,0|2,0,0]=4 2263 B8R0.24 CC(C)(O)CC(=O)CF 1458a_100000693243_100015361967 [0,2,0,0,0,0|2,0,0]=4 2264 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [0,2,0,0,0,0|1,0,0]=3 2265 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [0,2,0,0,0,0|1,0,0]=3 2266 B8R0.24 CCC(=O)CC(F)(F)F 1458a_100000245130_100000210202 [0,2,0,0,0,0|2,0,0]=4 2267 B8R0.24 CCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210202 [0,2,0,0,0,0|2,0,0]=4 2268 B8R0.24 CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210202 [0,2,0,0,0,0|2,0,0]=4 2269 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100000210414_100000233785 [0,2,0,0,0,0|1,1,0]=4 2270 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210202 [0,2,0,0,0,0|1,1,0]=4 2271 B8R0.24 CCC(=O)NC(C)(C)C 11a_100000715429_100000210414 [0,2,0,0,0,0|1,0,0]=3 2272 B8R0.24 CCC(=O)NC(C)(C)C 1626a_100000715429_100000210414 [0,2,0,0,0,0|1,0,0]=3 2273 B8R0.24 CCC(=O)NC(C)(C)C 240690a_100000715429_100000210414 [0,2,0,0,0,0|1,0,0]=3 2274 B8R0.24 CCC(=O)NC(C)(C)C 527a_100000715429_100000210414 [0,2,0,0,0,0|1,0,0]=3 2275 B8R0.24 CCC(=O)NS(=O)(=O)C 2740a_100000171171_100000210414 [0,2,0,0,0,0|2,0,0]=4 2276 B8R0.24 CCC(C)OC(C)(C)C 34a_100015890283_100011215416 [0,2,0,0,0,0|1,0,1]=4 2277 B8R0.24 CCC(C)OC(C)(C)C 7a_100015890283_100000758301 [0,2,0,0,0,0|1,0,1]=4 2278 B8R0.24 CNC(=O)CC(C)(C)C 11a_106832991635_100000211214 [0,2,0,0,0,0|2,0,0]=4 2279 B8R0.24 CNC(=O)CC(C)(C)C 1626a_100102657272_100000211214 [0,2,0,0,0,0|2,0,0]=4 2280 B8R0.24 CNC(=O)CC(C)(C)C 240690a_100102657272_100000211214 [0,2,0,0,0,0|2,0,0]=4 2281 B8R0.24 CNC(=O)CC(C)(C)C 527a_100102657272_100000211214 [0,2,0,0,0,0|2,0,0]=4 2282 B8R0.24 CNC(=O)CC(C)(C)O 527a_100102657272_100000693243 [0,2,0,0,0,0|2,0,0]=4 2283 B8R0.24 CNC(=O)NC(C)(C)C 2708a_100102657272_100000715429 [0,2,0,0,0,0|2,0,0]=4 2284 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100000715429_100102657272 [0,2,0,0,0,0|2,0,0]=4 2285 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100102657272_100000715429 [0,2,0,0,0,0|2,0,0]=4 2286 B8R0.24 CNC(=O)NC(C)(C)C 512a_100000715429_100102657272 [0,2,0,0,0,0|2,0,0]=4 2287 B8R0.34 CCC(C)(C)OC(C)C 7a_100000210230_100000210206 [0,2,0,0,0,0|1,0,1]=4 2288 B8R0.34 CCS(=O)(=O)NC(C)C 270084a_100138425928_100000211323 [0,2,0,0,0,0|2,0,0]=4 2289 B8R0.34 CCS(=O)(=O)NC(C)C 274078a_100138425928_100000211323 [0,2,0,0,0,0|2,0,0]=4 2290 B8R0.1 C#CCC(=O)C#CCC 1458a_100011827653_100000184674 [0,2,0,0,0,0|1,0,1]=4 2291 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [0,2,0,0,0,0|1,0,1]=4 2292 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,2,0,0,0,0|1,0,1]=4 2293 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,2,0,0,0,0|1,0,1]=4 2294 B8R0.1 C#CCC(=O)CCCF 1458a_100011220946_100011934791 [0,2,0,0,0,0|1,0,1]=4 2295 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [0,2,0,0,0,0|1,0,1]=4 2296 B8R0.1 C#CCC(=O)CCOC 1458a_100000749529_100000184674 [0,2,0,0,0,0|1,0,1]=4 2297 B8R0.1 C#CCC(=O)CCOC 1458a_100011220946_100000233755 [0,2,0,0,0,0|1,0,1]=4 2298 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [0,2,0,0,0,0|1,0,1]=4 2299 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [0,2,0,0,0,0|1,0,1]=4 2300 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [0,2,0,0,0,0|0,0,1]=3 2301 B8R0.1 C#CCC(=O)CSCC 1458a_100000230394_100000184674 [0,2,0,0,0,0|0,1,1]=4 2302 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [0,2,0,0,0,0|1,0,1]=4 2303 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [0,2,0,0,0,0|1,0,1]=4 2304 B8R0.1 C#CCC(=O)NCCF 1626a_100000724931_100011220946 [0,2,0,0,0,0|1,0,1]=4 2305 B8R0.1 C#CCC(=O)NCCF 527a_100000724931_100011220946 [0,2,0,0,0,0|1,0,1]=4 2306 B8R0.1 C#CCC(=O)NCCO 527a_100000210304_100011220946 [0,2,0,0,0,0|1,0,1]=4 2307 B8R0.1 C#CCCC(=O)C#CC 1458a_100000763181_100000753159 [0,2,0,0,0,0|1,0,1]=4 2308 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [0,2,0,0,0,0|1,0,1]=4 2309 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,2,0,0,0,0|1,0,0]=3 2310 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,2,0,0,0,0|1,0,0]=3 2311 B8R0.1 C#CCCC(=O)CCF 1458a_100000692101_100011217306 [0,2,0,0,0,0|1,0,1]=4 2312 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,2,0,0,0,0|1,0,1]=4 2313 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,2,0,0,0,0|1,0,1]=4 2314 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,2,0,0,0,0|1,0,1]=4 2315 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,2,0,0,0,0|1,0,1]=4 2316 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,2,0,0,0,0|1,0,0]=3 2317 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,2,0,0,0,0|1,0,0]=3 2318 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,2,0,0,0,0|1,0,0]=3 2319 B8R0.1 C#CCCC(=O)NNC 22a_100016993582_100000692101 [0,2,0,0,0,0|2,0,0]=4 2320 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [0,2,0,0,0,0|1,0,1]=4 2321 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [0,2,0,0,0,0|1,0,1]=4 2322 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [0,2,0,0,0,0|1,0,1]=4 2323 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [0,2,0,0,0,0|1,0,1]=4 2324 B8R0.1 C#CCNC(=O)CCO 240690a_100000212058_100011216618 [0,2,0,0,0,0|1,0,1]=4 2325 B8R0.1 C#CCNC(=O)CNC 2230a_100000747989_200000210301 [0,2,0,0,0,0|1,0,1]=4 2326 B8R0.1 C#CCNC(=O)CNC 34a_100000747989_200000210301 [0,2,0,0,0,0|1,0,1]=4 2327 B8R0.1 C#CCNC(=O)CN[13CH3] 2230a_100000747989_200025704644 [0,2,0,0,0,0|1,0,1]=4 2328 B8R0.1 C#CCNC(=O)CN[13CH3] 34a_100000747989_200025704644 [0,2,0,0,0,0|1,0,1]=4 2329 B8R0.1 C#CCNC(=O)COC 11a_100000212058_100000210968 [0,2,0,0,0,0|1,0,1]=4 2330 B8R0.1 C#CCNC(=O)COC 1626a_100000212058_100000210968 [0,2,0,0,0,0|1,0,1]=4 2331 B8R0.1 C#CCNC(=O)COC 240690a_100000212058_100000210968 [0,2,0,0,0,0|1,0,1]=4 2332 B8R0.1 C#CCNC(=O)COC 527a_100000212058_100000210968 [0,2,0,0,0,0|1,0,1]=4 2333 B8R0.1 C#CCNC(=O)CSC 11a_100000212058_100000184570 [0,2,0,0,0,0|1,0,1]=4 2334 B8R0.1 C#CCNC(=O)CSC 1626a_100000212058_100000184570 [0,2,0,0,0,0|1,0,1]=4 2335 B8R0.1 C#CCNC(=O)CSC 240690a_100000212058_100000184570 [0,2,0,0,0,0|1,0,1]=4 2336 B8R0.1 C#CCNC(=O)CSC 527a_100000212058_100000184570 [0,2,0,0,0,0|1,0,1]=4 2337 B8R0.1 C#CCNC(=O)NCC 2708a_100000212058_100015525214 [0,2,0,0,0,0|1,0,1]=4 2338 B8R0.1 C#CCNC(=O)NCC 2708a_100015525214_100000212058 [0,2,0,0,0,0|1,0,1]=4 2339 B8R0.1 C#CCNC(=O)NCC 273464a_100000212058_100015525214 [0,2,0,0,0,0|1,0,1]=4 2340 B8R0.1 C#CCNC(=O)NCC 273464a_100015525214_100000212058 [0,2,0,0,0,0|1,0,1]=4 2341 B8R0.1 C#CCNC(=O)NCC 512a_100000212058_100015525214 [0,2,0,0,0,0|1,0,1]=4 2342 B8R0.1 C#CCNC(=O)NCC 512a_100015525214_100000212058 [0,2,0,0,0,0|1,0,1]=4 2343 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,2,0,0,0,0|1,0,0]=3 2344 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,2,0,0,0,0|1,0,1]=4 2345 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,2,0,0,0,0|1,0,1]=4 2346 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,2,0,0,0,0|1,0,1]=4 2347 B8R0.1 C=C(CNC)OCOC 34a_100102657272_100000042856 [0,2,0,0,0,0|1,0,0]=3 2348 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [0,2,0,0,0,0|1,0,0]=3 2349 B8R0.1 C=C(CSC)OCOC 62a_100000042856_200000210301 [0,2,0,0,0,0|1,0,0]=3 2350 B8R0.1 C=C(CSC)OCOC 62a_200000210301_100000042856 [0,2,0,0,0,0|1,0,0]=3 2351 B8R0.1 C=C(CS[13CH3])OCOC 62a_100000042856_200025704644 [0,2,0,0,0,0|1,0,0]=3 2352 B8R0.1 C=C(CS[13CH3])OCOC 62a_200025704644_100000042856 [0,2,0,0,0,0|1,0,0]=3 2353 B8R0.1 C=CCC(=O)C#CCC 1458a_100011827653_100000210623 [0,2,0,0,0,0|1,0,1]=4 2354 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,2,0,0,0,0|1,0,1]=4 2355 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,2,0,0,0,0|1,0,1]=4 2356 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,2,0,0,0,0|1,0,1]=4 2357 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,2,0,0,0,0|1,0,1]=4 2358 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,2,0,0,0,0|1,0,1]=4 2359 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,2,0,0,0,0|1,0,1]=4 2360 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,2,0,0,0,0|1,0,1]=4 2361 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,2,0,0,0,0|1,0,1]=4 2362 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,2,0,0,0,0|1,0,1]=4 2363 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,2,0,0,0,0|0,0,1]=3 2364 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,2,0,0,0,0|0,1,1]=4 2365 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,2,0,0,0,0|1,0,1]=4 2366 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,2,0,0,0,0|1,0,1]=4 2367 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,2,0,0,0,0|1,0,1]=4 2368 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,2,0,0,0,0|1,0,1]=4 2369 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [0,2,0,0,0,0|1,0,1]=4 2370 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [0,2,0,0,0,0|1,0,1]=4 2371 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [0,2,0,0,0,0|1,0,1]=4 2372 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [0,2,0,0,0,0|1,0,1]=4 2373 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [0,2,0,0,0,0|1,0,1]=4 2374 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [0,2,0,0,0,0|1,0,1]=4 2375 B8R0.1 C=CCC(=O)NNCC 22a_100000756455_100000210193 [0,2,0,0,0,0|1,0,1]=4 2376 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [0,2,0,0,0,0|1,0,1]=4 2377 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,2,0,0,0,0|1,0,1]=4 2378 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,2,0,0,0,0|1,0,0]=3 2379 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,2,0,0,0,0|1,0,0]=3 2380 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,2,0,0,0,0|1,0,1]=4 2381 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,2,0,0,0,0|1,0,1]=4 2382 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,2,0,0,0,0|1,0,1]=4 2383 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,2,0,0,0,0|1,0,1]=4 2384 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,2,0,0,0,0|1,0,1]=4 2385 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,2,0,0,0,0|1,0,0]=3 2386 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,2,0,0,0,0|1,0,0]=3 2387 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,2,0,0,0,0|1,0,0]=3 2388 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [0,2,0,0,0,0|2,0,0]=4 2389 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,2,0,0,0,0|1,0,1]=4 2390 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,2,0,0,0,0|1,0,1]=4 2391 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,2,0,0,0,0|1,0,1]=4 2392 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,2,0,0,0,0|1,0,1]=4 2393 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,2,0,0,0,0|1,0,1]=4 2394 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,2,0,0,0,0|1,0,1]=4 2395 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [0,2,0,0,0,0|1,0,1]=4 2396 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [0,2,0,0,0,0|1,0,1]=4 2397 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [0,2,0,0,0,0|1,0,1]=4 2398 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [0,2,0,0,0,0|1,0,1]=4 2399 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [0,2,0,0,0,0|1,0,1]=4 2400 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [0,2,0,0,0,0|1,0,1]=4 2401 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [0,2,0,0,0,0|1,0,1]=4 2402 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [0,2,0,0,0,0|1,0,1]=4 2403 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [0,2,0,0,0,0|1,0,1]=4 2404 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [0,2,0,0,0,0|1,0,1]=4 2405 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [0,2,0,0,0,0|1,0,1]=4 2406 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [0,2,0,0,0,0|1,0,1]=4 2407 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,2,0,0,0,0|1,0,1]=4 2408 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,2,0,0,0,0|1,0,1]=4 2409 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,2,0,0,0,0|1,0,1]=4 2410 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,2,0,0,0,0|1,0,1]=4 2411 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,2,0,0,0,0|1,0,1]=4 2412 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,2,0,0,0,0|0,0,1]=3 2413 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,2,0,0,0,0|0,0,1]=3 2414 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,2,0,0,0,0|0,0,1]=3 2415 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,2,0,0,0,0|0,0,1]=3 2416 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,2,0,0,0,0|0,0,1]=3 2417 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,2,0,0,0,0|0,0,1]=3 2418 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,2,0,0,0,0|0,0,1]=3 2419 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,2,0,0,0,0|0,0,1]=3 2420 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,2,0,0,0,0|0,0,2]=4 2421 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,2,0,0,0,0|0,0,2]=4 2422 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,2,0,0,0,0|0,0,2]=4 2423 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,2,0,0,0,0|0,0,2]=4 2424 B8R0.1 C=COC(=O)CSCF 62a_100000036128_100015361967 [0,2,0,0,0,0|0,0,2]=4 2425 B8R0.1 C=COC(=O)CSCF 62a_100015361967_100000036128 [0,2,0,0,0,0|0,0,2]=4 2426 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [0,2,0,0,0,0|1,0,1]=4 2427 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [0,2,0,0,0,0|1,0,1]=4 2428 B8R0.1 CC#CC(=O)CCC#N 1458a_100000763181_100011215226 [0,2,0,0,0,0|1,0,1]=4 2429 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,2,0,0,0,0|1,0,1]=4 2430 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,2,0,0,0,0|1,0,1]=4 2431 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,2,0,0,0,0|1,0,1]=4 2432 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,2,0,0,0,0|1,0,1]=4 2433 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,2,0,0,0,0|1,0,1]=4 2434 B8R0.1 CC#CC(=O)NNCC 22a_100000756455_100000763181 [0,2,0,0,0,0|1,0,1]=4 2435 B8R0.1 CC#CCC(=O)C#CC 1458a_100000763181_100000748600 [0,2,0,0,0,0|1,0,1]=4 2436 B8R0.1 CC#CCC(=O)C=CC 1458a_100000210699_100000748600 [0,2,0,0,0,0|1,0,1]=4 2437 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,2,0,0,0,0|1,0,0]=3 2438 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [0,2,0,0,0,0|1,0,1]=4 2439 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [0,2,0,0,0,0|1,0,1]=4 2440 B8R0.1 CC#CCC(=O)CSC 1458a_100000184570_100000748600 [0,2,0,0,0,0|1,0,1]=4 2441 B8R0.1 CC(CCBr)OCCF 34a_100012276601_100011217306 [0,2,0,0,0,0|1,0,1]=4 2442 B8R0.1 CC(CCBr)OCCO 34a_100012276601_100000211926 [0,2,0,0,0,0|1,0,1]=4 2443 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [0,2,0,0,0,0|1,0,1]=4 2444 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [0,2,0,0,0,0|1,0,1]=4 2445 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,2,0,0,0,0|1,0,1]=4 2446 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [0,2,0,0,0,0|1,0,1]=4 2447 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,2,0,0,0,0|1,0,1]=4 2448 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,2,0,0,0,0|1,0,1]=4 2449 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,2,0,0,0,0|1,0,1]=4 2450 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,2,0,0,0,0|1,0,1]=4 2451 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,2,0,0,0,0|1,0,1]=4 2452 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,2,0,0,0,0|1,0,1]=4 2453 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,2,0,0,0,0|1,0,1]=4 2454 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,2,0,0,0,0|1,0,1]=4 2455 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [0,2,0,0,0,0|1,0,1]=4 2456 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [0,2,0,0,0,0|1,0,1]=4 2457 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [0,2,0,0,0,0|1,0,1]=4 2458 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,2,0,0,0,0|1,0,1]=4 2459 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [0,2,0,0,0,0|1,0,1]=4 2460 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,2,0,0,0,0|1,0,1]=4 2461 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,2,0,0,0,0|1,0,0]=3 2462 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,2,0,0,0,0|1,0,0]=3 2463 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,2,0,0,0,0|1,0,1]=4 2464 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,2,0,0,0,0|1,0,1]=4 2465 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,2,0,0,0,0|1,0,1]=4 2466 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,2,0,0,0,0|1,0,1]=4 2467 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,2,0,0,0,0|1,0,1]=4 2468 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,2,0,0,0,0|1,0,0]=3 2469 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,2,0,0,0,0|1,0,0]=3 2470 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,2,0,0,0,0|1,0,0]=3 2471 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,2,0,0,0,0|2,0,0]=4 2472 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,2,0,0,0,0|1,0,1]=4 2473 B8R0.1 CC=NNC(=O)COC 4a_100000216845_200000210099 [0,2,0,0,0,0|1,0,1]=4 2474 B8R0.1 CCC#CC(=O)CC#N 1458a_100011827653_100011214920 [0,2,0,0,0,0|1,0,1]=4 2475 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,2,0,0,0,0|1,0,0]=3 2476 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [0,2,0,0,0,0|1,0,0]=3 2477 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,2,0,0,0,0|1,0,0]=3 2478 B8R0.1 CCC#CC(=O)NNC 22a_100016993582_100011827653 [0,2,0,0,0,0|2,0,0]=4 2479 B8R0.1 CCC#CC(C)OCC 34a_100000033903_100000210202 [0,2,0,0,0,0|1,0,1]=4 2480 B8R0.1 CCC#CC(C)OCC 7a_100000033903_100000210202 [0,2,0,0,0,0|1,0,1]=4 2481 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [0,2,0,0,0,0|1,0,1]=4 2482 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,2,0,0,0,0|1,0,0]=3 2483 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,2,0,0,0,0|1,0,0]=3 2484 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,2,0,0,0,0|1,0,0]=3 2485 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,2,0,0,0,0|1,0,0]=3 2486 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,2,0,0,0,0|1,0,0]=3 2487 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,2,0,0,0,0|2,0,0]=4 2488 B8R0.1 CCCC(=NNCC)C 4a_100000756455_100000211909 [0,2,0,0,0,0|2,0,0]=4 2489 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [0,2,0,0,0,0|1,0,1]=4 2490 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,2,0,0,0,0|1,0,1]=4 2491 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,2,0,0,0,0|1,0,0]=3 2492 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,2,0,0,0,0|1,0,0]=3 2493 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,2,0,0,0,0|1,0,0]=3 2494 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,2,0,0,0,0|1,0,0]=3 2495 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,2,0,0,0,0|1,0,0]=3 2496 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,2,0,0,0,0|1,0,0]=3 2497 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,2,0,0,0,0|1,0,0]=3 2498 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,2,0,0,0,0|1,0,0]=3 2499 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,2,0,0,0,0|1,0,0]=3 2500 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,2,0,0,0,0|0,0,0]=2 2501 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,2,0,0,0,0|0,1,0]=3 2502 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,2,0,0,0,0|0,1,0]=3 2503 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,2,0,0,0,0|0,1,0]=3 2504 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,2,0,0,0,0|1,0,0]=3 2505 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,2,0,0,0,0|1,0,0]=3 2506 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [0,2,0,0,0,0|1,0,1]=4 2507 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [0,2,0,0,0,0|1,0,1]=4 2508 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,2,0,0,0,0|1,0,0]=3 2509 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,2,0,0,0,0|1,0,0]=3 2510 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,2,0,0,0,0|1,0,0]=3 2511 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,2,0,0,0,0|1,0,0]=3 2512 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,2,0,0,0,0|1,0,0]=3 2513 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,2,0,0,0,0|1,0,0]=3 2514 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,2,0,0,0,0|1,0,0]=3 2515 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,2,0,0,0,0|0,0,0]=2 2516 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,2,0,0,0,0|0,0,0]=2 2517 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,2,0,0,0,0|0,0,0]=2 2518 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,2,0,0,0,0|0,0,0]=2 2519 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,2,0,0,0,0|0,0,0]=2 2520 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,2,0,0,0,0|1,0,1]=4 2521 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,2,0,0,0,0|1,0,1]=4 2522 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,2,0,0,0,0|1,0,1]=4 2523 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [0,2,0,0,0,0|1,0,1]=4 2524 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [0,2,0,0,0,0|1,0,1]=4 2525 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [0,2,0,0,0,0|1,0,1]=4 2526 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [0,2,0,0,0,0|1,0,1]=4 2527 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,2,0,0,0,0|1,0,1]=4 2528 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,2,0,0,0,0|1,0,1]=4 2529 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,2,0,0,0,0|1,0,1]=4 2530 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,2,0,0,0,0|1,0,1]=4 2531 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,2,0,0,0,0|1,0,1]=4 2532 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,2,0,0,0,0|1,0,0]=3 2533 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,2,0,0,0,0|1,0,0]=3 2534 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,2,0,0,0,0|1,0,0]=3 2535 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,2,0,0,0,0|1,0,0]=3 2536 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,2,0,0,0,0|1,0,0]=3 2537 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,2,0,0,0,0|1,0,0]=3 2538 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,2,0,0,0,0|1,0,0]=3 2539 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,2,0,0,0,0|1,0,0]=3 2540 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,2,0,0,0,0|1,0,0]=3 2541 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,2,0,0,0,0|1,0,0]=3 2542 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,2,0,0,0,0|2,0,0]=4 2543 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,2,0,0,0,0|1,0,1]=4 2544 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,2,0,0,0,0|1,0,1]=4 2545 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,2,0,0,0,0|1,0,1]=4 2546 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [0,2,0,0,0,0|2,0,0]=4 2547 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [0,2,0,0,0,0|1,0,1]=4 2548 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [0,2,0,0,0,0|1,0,1]=4 2549 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,2,0,0,0,0|1,0,0]=3 2550 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,2,0,0,0,0|1,0,0]=3 2551 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,2,0,0,0,0|1,0,0]=3 2552 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,2,0,0,0,0|1,0,0]=3 2553 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,2,0,0,0,0|1,0,0]=3 2554 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,2,0,0,0,0|1,0,0]=3 2555 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,2,0,0,0,0|1,0,0]=3 2556 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,2,0,0,0,0|1,0,0]=3 2557 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,2,0,0,0,0|1,0,0]=3 2558 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,2,0,0,0,0|1,0,0]=3 2559 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,2,0,0,0,0|1,0,0]=3 2560 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,2,0,0,0,0|1,0,0]=3 2561 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,2,0,0,0,0|1,0,0]=3 2562 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,2,0,0,0,0|1,0,0]=3 2563 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,2,0,0,0,0|1,0,0]=3 2564 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,2,0,0,0,0|1,0,0]=3 2565 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,2,0,0,0,0|1,0,0]=3 2566 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,2,0,0,0,0|1,0,0]=3 2567 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,2,0,0,0,0|1,0,0]=3 2568 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,2,0,0,0,0|1,0,0]=3 2569 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,2,0,0,0,0|1,0,0]=3 2570 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,2,0,0,0,0|1,0,0]=3 2571 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,2,0,0,0,0|1,0,0]=3 2572 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,2,0,0,0,0|1,0,0]=3 2573 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,2,0,0,0,0|1,0,0]=3 2574 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,2,0,0,0,0|1,0,0]=3 2575 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,2,0,0,0,0|1,0,0]=3 2576 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,2,0,0,0,0|1,0,0]=3 2577 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,2,0,0,0,0|1,0,0]=3 2578 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,2,0,0,0,0|2,0,0]=4 2579 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,2,0,0,0,0|2,0,0]=4 2580 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,2,0,0,0,0|2,0,0]=4 2581 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,2,0,0,0,0|0,0,0]=2 2582 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,2,0,0,0,0|0,0,0]=2 2583 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,2,0,0,0,0|0,0,0]=2 2584 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,2,0,0,0,0|0,0,0]=2 2585 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,2,0,0,0,0|0,0,0]=2 2586 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,2,0,0,0,0|0,0,0]=2 2587 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,2,0,0,0,0|0,0,0]=2 2588 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,2,0,0,0,0|0,0,0]=2 2589 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [0,2,0,0,0,0|1,0,1]=4 2590 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,2,0,0,0,0|1,0,1]=4 2591 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,2,0,0,0,0|1,0,1]=4 2592 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,2,0,0,0,0|1,0,1]=4 2593 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,2,0,0,0,0|1,0,1]=4 2594 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [0,2,0,0,0,0|1,0,1]=4 2595 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [0,2,0,0,0,0|1,0,1]=4 2596 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [0,2,0,0,0,0|1,0,1]=4 2597 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [0,2,0,0,0,0|1,0,1]=4 2598 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,2,0,0,0,0|1,0,1]=4 2599 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,2,0,0,0,0|1,0,1]=4 2600 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [0,2,0,0,0,0|1,0,1]=4 2601 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,2,0,0,0,0|1,0,1]=4 2602 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,2,0,0,0,0|1,0,0]=3 2603 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,2,0,0,0,0|1,0,0]=3 2604 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,2,0,0,0,0|1,0,0]=3 2605 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,2,0,0,0,0|1,0,0]=3 2606 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,2,0,0,0,0|1,0,0]=3 2607 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,2,0,0,0,0|1,0,0]=3 2608 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,2,0,0,0,0|1,0,0]=3 2609 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,2,0,0,0,0|1,0,0]=3 2610 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,2,0,0,0,0|1,0,0]=3 2611 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,2,0,0,0,0|1,0,0]=3 2612 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,2,0,0,0,0|1,0,0]=3 2613 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,2,0,0,0,0|1,0,0]=3 2614 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,2,0,0,0,0|1,0,0]=3 2615 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,2,0,0,0,0|1,0,0]=3 2616 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,2,0,0,0,0|1,0,0]=3 2617 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,2,0,0,0,0|1,0,0]=3 2618 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,2,0,0,0,0|1,0,0]=3 2619 B8R0.1 CCNC(=O)CN=[N+]=[N-] 11a_100015525214_100000751907 [0,2,0,0,0,0|2,0,0]=4 2620 B8R0.1 CCNC(=O)CN=[N+]=[N-] 240690a_100015525214_100000751907 [0,2,0,0,0,0|2,0,0]=4 2621 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,2,0,0,0,0|0,0,0]=2 2622 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,2,0,0,0,0|0,0,0]=2 2623 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,2,0,0,0,0|0,0,0]=2 2624 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,2,0,0,0,0|0,0,0]=2 2625 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,2,0,0,0,0|0,1,0]=3 2626 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,2,0,0,0,0|0,1,0]=3 2627 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,2,0,0,0,0|0,1,0]=3 2628 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,2,0,0,0,0|0,1,0]=3 2629 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,2,0,0,0,0|0,1,0]=3 2630 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,2,0,0,0,0|1,0,0]=3 2631 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,2,0,0,0,0|1,0,0]=3 2632 B8R0.1 CCNC(=O)NCC#N 2708a_100000734998_100015525214 [0,2,0,0,0,0|1,0,1]=4 2633 B8R0.1 CCNC(=O)NCC#N 273464a_100000734998_100015525214 [0,2,0,0,0,0|1,0,1]=4 2634 B8R0.1 CCNC(=O)NCC#N 273464a_100015525214_100000734998 [0,2,0,0,0,0|1,0,1]=4 2635 B8R0.1 CCNC(=O)NCC#N 512a_100000734998_100015525214 [0,2,0,0,0,0|1,0,1]=4 2636 B8R0.1 CCNC(=O)NCC#N 512a_100015525214_100000734998 [0,2,0,0,0,0|1,0,1]=4 2637 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,2,0,0,0,0|1,0,0]=3 2638 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,2,0,0,0,0|1,0,0]=3 2639 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,2,0,0,0,0|1,0,0]=3 2640 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,2,0,0,0,0|1,0,0]=3 2641 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,2,0,0,0,0|1,0,0]=3 2642 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,2,0,0,0,0|1,0,0]=3 2643 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,2,0,0,0,0|1,0,0]=3 2644 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,2,0,0,0,0|1,0,0]=3 2645 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,2,0,0,0,0|1,0,0]=3 2646 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,2,0,0,0,0|1,0,0]=3 2647 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,2,0,0,0,0|2,0,0]=4 2648 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,2,0,0,0,0|0,0,0]=2 2649 B8R0.1 CCNN=C(C)COC 4a_100000756455_100000749346 [0,2,0,0,0,0|2,0,0]=4 2650 B8R0.1 CCNN=C(C)CSC 4a_100000756455_100011216314 [0,2,0,0,0,0|2,0,0]=4 2651 B8R0.1 CCNNC(=O)CC#N 22a_100000756455_100051588842 [0,2,0,0,0,0|1,0,1]=4 2652 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,2,0,0,0,0|1,0,0]=3 2653 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,2,0,0,0,0|1,0,0]=3 2654 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [0,2,0,0,0,0|1,0,0]=3 2655 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,2,0,0,0,0|1,0,0]=3 2656 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,2,0,0,0,0|1,0,0]=3 2657 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,2,0,0,0,0|1,0,0]=3 2658 B8R0.1 CCNNC(=O)NNC 512a_100000756455_100016993582 [0,2,0,0,0,0|2,0,0]=4 2659 B8R0.1 CCNNC(=O)NNC 512a_100016993582_100000756455 [0,2,0,0,0,0|2,0,0]=4 2660 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,2,0,0,0,0|0,0,0]=2 2661 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,2,0,0,0,0|0,0,0]=2 2662 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,2,0,0,0,0|0,0,0]=2 2663 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,2,0,0,0,0|0,0,0]=2 2664 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,2,0,0,0,0|0,0,0]=2 2665 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,2,0,0,0,0|0,0,0]=2 2666 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,2,0,0,0,0|0,0,0]=2 2667 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,2,0,0,0,0|0,0,0]=2 2668 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,2,0,0,0,0|0,0,0]=2 2669 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,2,0,0,0,0|0,0,0]=2 2670 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,2,0,0,0,0|0,0,0]=2 2671 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,2,0,0,0,0|0,0,0]=2 2672 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,2,0,0,0,0|0,0,0]=2 2673 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,2,0,0,0,0|0,0,0]=2 2674 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,2,0,0,0,0|1,0,1]=4 2675 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,2,0,0,0,0|1,0,1]=4 2676 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [0,2,0,0,0,0|0,0,1]=3 2677 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,2,0,0,0,0|0,0,0]=2 2678 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,2,0,0,0,0|0,0,0]=2 2679 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,2,0,0,0,0|1,0,0]=3 2680 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,2,0,0,0,0|1,0,0]=3 2681 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,2,0,0,0,0|0,0,0]=2 2682 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [0,2,0,0,0,0|1,0,1]=4 2683 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [0,2,0,0,0,0|1,0,1]=4 2684 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [0,2,0,0,0,0|1,0,1]=4 2685 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [0,2,0,0,0,0|1,0,1]=4 2686 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [0,2,0,0,0,0|0,0,2]=4 2687 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [0,2,0,0,0,0|0,0,2]=4 2688 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [0,2,0,0,0,0|0,0,2]=4 2689 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [0,2,0,0,0,0|0,0,2]=4 2690 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [0,2,0,0,0,0|0,0,2]=4 2691 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [0,2,0,0,0,0|2,0,0]=4 2692 B8R0.1 CCSCC(=O)CC#N 1458a_100000230394_100011214920 [0,2,0,0,0,0|0,1,1]=4 2693 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,2,0,0,0,0|0,1,0]=3 2694 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,2,0,0,0,0|0,1,0]=3 2695 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,2,0,0,0,0|1,1,0]=4 2696 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,2,0,0,0,0|1,1,0]=4 2697 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,2,0,0,0,0|1,1,0]=4 2698 B8R0.1 CNCC(=O)NCC#N 2230a_106832991635_100000736037 [0,2,0,0,0,0|1,0,1]=4 2699 B8R0.1 CNCC(=O)NCC#N 7a_106832991635_100000736037 [0,2,0,0,0,0|1,0,1]=4 2700 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,2,0,0,0,0|1,0,0]=3 2701 B8R0.1 CNNC(=O)CCC#N 22a_100016993582_100011934036 [0,2,0,0,0,0|2,0,0]=4 2702 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,2,0,0,0,0|2,0,0]=4 2703 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,2,0,0,0,0|2,0,0]=4 2704 B8R0.1 CNNC(=O)NCCF 273464a_100000724931_100016993582 [0,2,0,0,0,0|2,0,0]=4 2705 B8R0.1 CNNC(=O)NCCF 512a_100016993582_100000724931 [0,2,0,0,0,0|2,0,0]=4 2706 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [0,2,0,0,0,0|2,0,0]=4 2707 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [0,2,0,0,0,0|2,0,0]=4 2708 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [0,2,0,0,0,0|1,0,1]=4 2709 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [0,2,0,0,0,0|1,0,1]=4 2710 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,2,0,0,0,0|1,0,1]=4 2711 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,2,0,0,0,0|1,0,0]=3 2712 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,2,0,0,0,0|1,0,0]=3 2713 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,2,0,0,0,0|1,0,0]=3 2714 B8R0.1 COCC(=O)NCC#N 1626a_100000734998_100000210968 [0,2,0,0,0,0|1,0,1]=4 2715 B8R0.1 COCC(=O)NCC#N 527a_100000734998_100000210968 [0,2,0,0,0,0|1,0,1]=4 2716 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,2,0,0,0,0|1,0,0]=3 2717 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,2,0,0,0,0|1,0,0]=3 2718 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,2,0,0,0,0|1,0,0]=3 2719 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,2,0,0,0,0|1,0,0]=3 2720 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,2,0,0,0,0|1,0,0]=3 2721 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,2,0,0,0,0|1,0,0]=3 2722 B8R0.1 COCC(C)OCCBr 34a_100000211926_100000765312 [0,2,0,0,0,0|1,0,1]=4 2723 B8R0.1 COCC(C)OCCN 34a_100000210304_100000765312 [0,2,0,0,0,0|1,0,1]=4 2724 B8R0.1 COCCC(=O)CC#N 1458a_100000749529_100011214920 [0,2,0,0,0,0|1,0,1]=4 2725 B8R0.1 COCCC(=O)CC#N 1458a_100051588842_100000233755 [0,2,0,0,0,0|1,0,1]=4 2726 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,2,0,0,0,0|1,0,0]=3 2727 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,2,0,0,0,0|1,0,0]=3 2728 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,2,0,0,0,0|1,0,0]=3 2729 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,2,0,0,0,0|1,0,0]=3 2730 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,2,0,0,0,0|1,0,0]=3 2731 B8R0.1 COCO[C@H](C)COC 34a_100016172286_200000210301 [0,2,0,0,0,0|1,0,1]=4 2732 B8R0.1 COCO[C@H](C)COC 7a_100016172286_200000210301 [0,2,0,0,0,0|1,0,1]=4 2733 B8R0.1 COCO[C@H](C)CO[13CH3] 34a_100016172286_200025704644 [0,2,0,0,0,0|1,0,1]=4 2734 B8R0.1 COCO[C@H](C)CO[13CH3] 7a_100016172286_200025704644 [0,2,0,0,0,0|1,0,1]=4 2735 B8R0.1 COC[C@@H](C)OCCF 34a_100011934205_100011217306 [0,2,0,0,0,0|1,0,1]=4 2736 B8R0.1 COC[C@@H](C)OCCO 34a_100011934205_100000211926 [0,2,0,0,0,0|1,0,1]=4 2737 B8R0.1 COC[C@@H](C)OCSC 34a_100011934205_100011218213 [0,2,0,0,0,0|1,0,1]=4 2738 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,2,0,0,0,0|1,0,1]=4 2739 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,2,0,0,0,0|1,0,0]=3 2740 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,2,0,0,0,0|1,0,0]=3 2741 B8R0.1 CSCC(=O)NCC#N 1626a_100000734998_100000184570 [0,2,0,0,0,0|1,0,1]=4 2742 B8R0.1 CSCC(=O)NCC#N 527a_100000734998_100000184570 [0,2,0,0,0,0|1,0,1]=4 2743 B8R0.1 CSCC(=O)NCC#N 62a_100000736037_200000210301 [0,2,0,0,0,0|1,0,1]=4 2744 B8R0.1 CSCC(=O)NCC#N 62a_200000210301_100000736037 [0,2,0,0,0,0|1,0,1]=4 2745 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,2,0,0,0,0|1,0,0]=3 2746 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,2,0,0,0,0|1,0,0]=3 2747 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,2,0,0,0,0|1,0,0]=3 2748 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,2,0,0,0,0|1,0,0]=3 2749 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,2,0,0,0,0|1,0,0]=3 2750 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,2,0,0,0,0|1,0,0]=3 2751 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [0,2,0,0,0,0|1,0,1]=4 2752 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [0,2,0,0,0,0|1,0,1]=4 2753 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,2,0,0,0,0|1,0,0]=3 2754 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,2,0,0,0,0|1,0,0]=3 2755 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,2,0,0,0,0|1,0,0]=3 2756 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,2,0,0,0,0|1,0,0]=3 2757 B8R0.1 CSCOC(C)CCBr 34a_100012276601_100011218213 [0,2,0,0,0,0|1,0,1]=4 2758 B8R0.1 N#CCC(=O)CCCF 1458a_100051588842_100011934791 [0,2,0,0,0,0|1,0,1]=4 2759 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [0,2,0,0,0,0|1,0,1]=4 2760 B8R0.1 N#CCC(=O)NCCF 1626a_100000724931_100051588842 [0,2,0,0,0,0|1,0,1]=4 2761 B8R0.1 N#CCC(=O)NCCF 240690a_100000724931_100051588842 [0,2,0,0,0,0|1,0,1]=4 2762 B8R0.1 N#CCC(=O)NCCO 240690a_100000210304_100051588842 [0,2,0,0,0,0|1,0,1]=4 2763 B8R0.1 N#CCCC(=O)CCF 1458a_100011934036_100011217306 [0,2,0,0,0,0|1,0,1]=4 2764 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,2,0,0,0,0|1,0,1]=4 2765 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,2,0,0,0,0|1,0,1]=4 2766 B8R0.1 O=C(C#CCO)CCF 1458a_100000049017_100011217306 [0,2,0,0,0,0|1,0,1]=4 2767 B8R0.1 O=C(C#CCO)CCO 1458a_100000049017_100000211926 [0,2,0,0,0,0|1,0,1]=4 2768 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,2,0,0,0,0|1,0,0]=3 2769 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,2,0,0,0,0|1,0,0]=3 2770 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,2,0,0,0,0|1,0,0]=3 2771 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,2,0,0,0,0|1,0,0]=3 2772 B8R0.1 O=C(CSCF)NCO 62a_100000185155_100015361967 [0,2,0,0,0,0|2,0,0]=4 2773 B8R0.1 O=C(CSCF)NCO 62a_100015361967_100000185155 [0,2,0,0,0,0|2,0,0]=4 2774 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,2,0,0,0,0|1,0,0]=3 2775 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_100000736037_200025704644 [0,2,0,0,0,0|1,0,1]=4 2776 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_200025704644_100000736037 [0,2,0,0,0,0|1,0,1]=4 2777 B8R0.3 C#CC(C)C(=O)C#CC 1458a_100000763181_200000035995 [0,2,0,0,0,0|1,0,1]=4 2778 B8R0.3 C#CC(C)C(=O)C=CC 1458a_100000210699_200000035995 [0,2,0,0,0,0|1,0,1]=4 2779 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,2,0,0,0,0|1,0,0]=3 2780 B8R0.3 C#CC(C)C(=O)CCO 1458a_100011216618_200000035995 [0,2,0,0,0,0|2,0,0]=4 2781 B8R0.3 C#CC(C)C(=O)COC 1458a_100000210968_200000035995 [0,2,0,0,0,0|2,0,0]=4 2782 B8R0.3 C#CC(C)C(=O)CSC 1458a_100000184570_200000035995 [0,2,0,0,0,0|2,0,0]=4 2783 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011192722_100000184674 [0,2,0,0,0,0|1,0,1]=4 2784 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011220946_100000758301 [0,2,0,0,0,0|1,0,1]=4 2785 B8R0.3 C#CCC(=O)C(O)CC 1458a_100011196387_100000184674 [0,2,0,0,0,0|1,0,1]=4 2786 B8R0.3 C#CCC(=O)N(C)CC 1626a_100000225621_100011220946 [0,2,0,0,0,0|1,0,1]=4 2787 B8R0.3 C#CCC(=O)N(C)CC 527a_100000225621_100011220946 [0,2,0,0,0,0|1,0,1]=4 2788 B8R0.3 C#CCN(C)C(=O)CC 11a_100000225692_100000210414 [0,2,0,0,0,0|1,0,1]=4 2789 B8R0.3 C#CCN(C)C(=O)CC 1626a_100000225692_100000210414 [0,2,0,0,0,0|1,0,1]=4 2790 B8R0.3 C#CCN(C)C(=O)CC 527a_100000225692_100000210414 [0,2,0,0,0,0|1,0,1]=4 2791 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,2,0,0,0,0|1,0,1]=4 2792 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,2,0,0,0,0|1,0,1]=4 2793 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,2,0,0,0,0|1,0,1]=4 2794 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,2,0,0,0,0|1,0,1]=4 2795 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,2,0,0,0,0|2,0,0]=4 2796 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,2,0,0,0,0|2,0,0]=4 2797 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,2,0,0,0,0|2,0,0]=4 2798 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,2,0,0,0,0|2,0,0]=4 2799 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,2,0,0,0,0|2,0,0]=4 2800 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,2,0,0,0,0|2,0,0]=4 2801 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,2,0,0,0,0|1,0,0]=3 2802 B8R0.3 C=CC(C)C(=O)CCF 1458a_100011216780_100011217306 [0,2,0,0,0,0|2,0,0]=4 2803 B8R0.3 C=CC(C)C(=O)CCO 1458a_100011216780_100000211926 [0,2,0,0,0,0|2,0,0]=4 2804 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,2,0,0,0,0|1,0,0]=3 2805 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,2,0,0,0,0|1,0,0]=3 2806 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,2,0,0,0,0|1,0,0]=3 2807 B8R0.3 C=CC(C)C(=O)NNC 22a_100016993582_100011216780 [0,2,0,0,0,0|2,0,0]=4 2808 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,2,0,0,0,0|1,0,1]=4 2809 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,2,0,0,0,0|1,0,1]=4 2810 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,2,0,0,0,0|1,0,1]=4 2811 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [0,2,0,0,0,0|1,0,1]=4 2812 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [0,2,0,0,0,0|1,0,1]=4 2813 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [0,2,0,0,0,0|1,0,1]=4 2814 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [0,2,0,0,0,0|1,0,1]=4 2815 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,2,0,0,0,0|1,0,1]=4 2816 B8R0.3 C=CCN(C)C(=O)CC 11a_100000225617_100000210414 [0,2,0,0,0,0|1,0,1]=4 2817 B8R0.3 C=CCN(C)C(=O)CC 1626a_100000225617_100000210414 [0,2,0,0,0,0|1,0,1]=4 2818 B8R0.3 C=CCN(C)C(=O)CC 240690a_100000225617_100000210414 [0,2,0,0,0,0|1,0,1]=4 2819 B8R0.3 C=CCN(C)C(=O)CC 527a_100000225617_100000210414 [0,2,0,0,0,0|1,0,1]=4 2820 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 34a_100015455354_100000210202 [0,2,0,0,0,0|1,0,1]=4 2821 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7a_100015455354_100000210202 [0,2,0,0,0,0|1,0,1]=4 2822 B8R0.3 CC#CC(=O)C(C)C#N 1458a_100000763181_100000703298 [0,2,0,0,0,0|1,0,1]=4 2823 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [0,2,0,0,0,0|1,0,1]=4 2824 B8R0.3 CC(C#N)C(=O)CCF 1458a_100000753662_100011217306 [0,2,0,0,0,0|2,0,0]=4 2825 B8R0.3 CC(C#N)C(=O)CCO 1458a_100000753662_100000211926 [0,2,0,0,0,0|2,0,0]=4 2826 B8R0.3 CC(C#N)C(=O)CCO 1458a_100011216618_100000703298 [0,2,0,0,0,0|2,0,0]=4 2827 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,2,0,0,0,0|2,0,0]=4 2828 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,2,0,0,0,0|1,0,0]=3 2829 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,2,0,0,0,0|2,0,0]=4 2830 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,2,0,0,0,0|2,0,0]=4 2831 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,2,0,0,0,0|2,0,0]=4 2832 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,2,0,0,0,0|2,0,0]=4 2833 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,2,0,0,0,0|2,0,0]=4 2834 B8R0.3 CC=CC(=O)C(C)C#N 1458a_100000210699_100000703298 [0,2,0,0,0,0|1,0,1]=4 2835 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,2,0,0,0,0|1,0,1]=4 2836 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,2,0,0,0,0|1,0,1]=4 2837 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,2,0,0,0,0|1,0,1]=4 2838 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,2,0,0,0,0|1,0,1]=4 2839 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,2,0,0,0,0|2,0,0]=4 2840 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [0,2,0,0,0,0|1,0,1]=4 2841 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,2,0,0,0,0|1,0,0]=3 2842 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,2,0,0,0,0|1,0,0]=3 2843 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,2,0,0,0,0|1,0,0]=3 2844 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,2,0,0,0,0|1,0,0]=3 2845 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,2,0,0,0,0|1,1,0]=4 2846 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,2,0,0,0,0|1,1,0]=4 2847 B8R0.3 CCC(=O)N(C)CC#N 11a_100000748184_100000210414 [0,2,0,0,0,0|1,0,1]=4 2848 B8R0.3 CCC(=O)N(C)CC#N 1626a_100000748184_100000210414 [0,2,0,0,0,0|1,0,1]=4 2849 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,2,0,0,0,0|1,0,0]=3 2850 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,2,0,0,0,0|1,0,0]=3 2851 B8R0.3 CCC(C)C(=O)CC#N 1458a_100011192722_100011214920 [0,2,0,0,0,0|1,0,1]=4 2852 B8R0.3 CCC(C)C(=O)CC#N 1458a_100051588842_100000758301 [0,2,0,0,0,0|1,0,1]=4 2853 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,2,0,0,0,0|1,0,0]=3 2854 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,2,0,0,0,0|1,0,0]=3 2855 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,2,0,0,0,0|1,0,0]=3 2856 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,2,0,0,0,0|1,0,0]=3 2857 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,2,0,0,0,0|1,0,0]=3 2858 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [0,2,0,0,0,0|2,0,0]=4 2859 B8R0.3 CCC(O)C(=O)CC#N 1458a_100011196387_100011214920 [0,2,0,0,0,0|1,0,1]=4 2860 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,2,0,0,0,0|1,0,0]=3 2861 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,2,0,0,0,0|1,0,0]=3 2862 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,2,0,0,0,0|2,0,0]=4 2863 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,2,0,0,0,0|1,0,1]=4 2864 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,2,0,0,0,0|1,0,0]=3 2865 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,2,0,0,0,0|1,0,0]=3 2866 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,2,0,0,0,0|1,0,0]=3 2867 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,2,0,0,0,0|1,0,0]=3 2868 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,2,0,0,0,0|1,0,0]=3 2869 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,2,0,0,0,0|1,0,0]=3 2870 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,2,0,0,0,0|1,0,0]=3 2871 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,2,0,0,0,0|1,0,0]=3 2872 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,2,0,0,0,0|1,0,0]=3 2873 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,2,0,0,0,0|1,0,0]=3 2874 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,2,0,0,0,0|1,0,0]=3 2875 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,2,0,0,0,0|1,0,0]=3 2876 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,2,0,0,0,0|1,0,0]=3 2877 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,2,0,0,0,0|1,0,0]=3 2878 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,2,0,0,0,0|2,0,0]=4 2879 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,2,0,0,0,0|2,0,0]=4 2880 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,2,0,0,0,0|2,0,0]=4 2881 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,2,0,0,0,0|2,0,0]=4 2882 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,2,0,0,0,0|2,0,0]=4 2883 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,2,0,0,0,0|2,0,0]=4 2884 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,2,0,0,0,0|1,0,0]=3 2885 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,2,0,0,0,0|1,0,0]=3 2886 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,2,0,0,0,0|1,0,0]=3 2887 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,2,0,0,0,0|1,0,0]=3 2888 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,2,0,0,0,0|2,0,0]=4 2889 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,2,0,0,0,0|2,0,0]=4 2890 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,2,0,0,0,0|2,0,0]=4 2891 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,2,0,0,0,0|2,0,0]=4 2892 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,2,0,0,0,0|1,0,0]=3 2893 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,2,0,0,0,0|2,0,0]=4 2894 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,2,0,0,0,0|2,0,0]=4 2895 B8R0.3 CCN(C)C(=O)CC#N 1626a_100000225621_100051588842 [0,2,0,0,0,0|1,0,1]=4 2896 B8R0.3 CCN(C)C(=O)CC#N 240690a_100000225621_100051588842 [0,2,0,0,0,0|1,0,1]=4 2897 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,2,0,0,0,0|1,0,0]=3 2898 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,2,0,0,0,0|1,0,0]=3 2899 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,2,0,0,0,0|1,0,0]=3 2900 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,2,0,0,0,0|1,0,0]=3 2901 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,2,0,0,0,0|1,0,0]=3 2902 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,2,0,0,0,0|1,0,0]=3 2903 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,2,0,0,0,0|1,0,0]=3 2904 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,2,0,0,0,0|1,0,0]=3 2905 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,2,0,0,0,0|1,0,0]=3 2906 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,2,0,0,0,0|1,0,0]=3 2907 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,2,0,0,0,0|1,0,0]=3 2908 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,2,0,0,0,0|1,0,0]=3 2909 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,2,0,0,0,0|1,0,0]=3 2910 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,2,0,0,0,0|1,0,0]=3 2911 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,2,0,0,0,0|1,0,0]=3 2912 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,2,0,0,0,0|1,0,0]=3 2913 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,2,0,0,0,0|1,0,0]=3 2914 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,2,0,0,0,0|1,0,0]=3 2915 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,2,0,0,0,0|1,0,1]=4 2916 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,2,0,0,0,0|1,0,1]=4 2917 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,2,0,0,0,0|1,0,1]=4 2918 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,2,0,0,0,0|1,0,1]=4 2919 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,2,0,0,0,0|1,0,1]=4 2920 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,2,0,0,0,0|1,0,1]=4 2921 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 2922 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 2923 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 2924 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [0,2,0,0,0,0|1,0,0]=3 2925 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [0,2,0,0,0,0|1,0,0]=3 2926 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [0,2,0,0,0,0|1,0,0]=3 2927 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 2928 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 2929 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 2930 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,2,0,0,0,0|1,0,0]=3 2931 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,2,0,0,0,0|1,0,0]=3 2932 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,2,0,0,0,0|1,0,0]=3 2933 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,2,0,0,0,0|1,0,0]=3 2934 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,2,0,0,0,0|1,0,0]=3 2935 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,2,0,0,0,0|1,0,0]=3 2936 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,2,0,0,0,0|1,0,0]=3 2937 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,2,0,0,0,0|1,0,0]=3 2938 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,2,0,0,0,0|1,0,0]=3 2939 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,2,0,0,0,0|1,0,0]=3 2940 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,2,0,0,0,0|1,0,0]=3 2941 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,2,0,0,0,0|1,0,0]=3 2942 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,2,0,0,0,0|1,0,0]=3 2943 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,2,0,0,0,0|1,0,0]=3 2944 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,2,0,0,0,0|1,0,0]=3 2945 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,2,0,0,0,0|1,0,0]=3 2946 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,2,0,0,0,0|1,0,0]=3 2947 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,2,0,0,0,0|1,0,0]=3 2948 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,2,0,0,0,0|1,0,0]=3 2949 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,2,0,0,0,0|1,0,0]=3 2950 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,2,0,0,0,0|1,0,0]=3 2951 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,2,0,0,0,0|1,0,0]=3 2952 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,2,0,0,0,0|1,0,0]=3 2953 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,2,0,0,0,0|2,0,0]=4 2954 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,2,0,0,0,0|2,0,0]=4 2955 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,2,0,0,0,0|2,0,0]=4 2956 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,2,0,0,0,0|2,0,0]=4 2957 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,2,0,0,0,0|2,0,0]=4 2958 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,2,0,0,0,0|0,0,1]=3 2959 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,2,0,0,0,0|0,0,1]=3 2960 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,2,0,0,0,0|0,0,1]=3 2961 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,2,0,0,0,0|0,0,0]=2 2962 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,2,0,0,0,0|0,0,0]=2 2963 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,2,0,0,0,0|0,0,0]=2 2964 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,2,0,0,0,0|0,0,0]=2 2965 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,2,0,0,0,0|0,0,0]=2 2966 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,2,0,0,0,0|0,0,0]=2 2967 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,2,0,0,0,0|0,0,0]=2 2968 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,2,0,0,0,0|0,0,0]=2 2969 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,2,0,0,0,0|0,0,0]=2 2970 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,2,0,0,0,0|0,0,0]=2 2971 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,2,0,0,0,0|0,0,0]=2 2972 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,2,0,0,0,0|0,0,0]=2 2973 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,2,0,0,0,0|0,0,0]=2 2974 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,2,0,0,0,0|0,0,0]=2 2975 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,2,0,0,0,0|0,0,0]=2 2976 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,2,0,0,0,0|0,0,0]=2 2977 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,2,0,0,0,0|0,0,0]=2 2978 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,2,0,0,0,0|0,0,0]=2 2979 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,2,0,0,0,0|0,0,0]=2 2980 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,2,0,0,0,0|1,0,0]=3 2981 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,2,0,0,0,0|1,0,0]=3 2982 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 2983 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 2984 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,2,0,0,0,0|1,0,0]=3 2985 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 2986 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,2,0,0,0,0|2,0,0]=4 2987 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,2,0,0,0,0|1,0,0]=3 2988 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,2,0,0,0,0|1,0,0]=3 2989 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,2,0,0,0,0|1,0,1]=4 2990 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,2,0,0,0,0|1,0,0]=3 2991 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,2,0,0,0,0|0,1,0]=3 2992 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,2,0,0,0,0|0,1,0]=3 2993 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,2,0,0,0,0|0,1,0]=3 2994 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,2,0,0,0,0|0,1,0]=3 2995 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,2,0,0,0,0|0,1,0]=3 2996 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,2,0,0,0,0|1,1,0]=4 2997 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,2,0,0,0,0|1,1,0]=4 2998 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,2,0,0,0,0|1,1,0]=4 2999 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,2,0,0,0,0|1,1,0]=4 3000 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,2,0,0,0,0|1,1,0]=4 3001 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,2,0,0,0,0|1,1,0]=4 3002 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,2,0,0,0,0|1,1,0]=4 3003 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,2,0,0,0,0|1,1,0]=4 3004 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,2,0,0,0,0|1,1,0]=4 3005 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,2,0,0,0,0|1,1,0]=4 3006 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,2,0,0,0,0|1,1,0]=4 3007 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,2,0,0,0,0|2,0,0]=4 3008 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,2,0,0,0,0|2,0,0]=4 3009 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,2,0,0,0,0|2,0,0]=4 3010 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,2,0,0,0,0|2,0,0]=4 3011 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,2,0,0,0,0|2,0,0]=4 3012 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,2,0,0,0,0|2,0,0]=4 3013 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,2,0,0,0,0|2,0,0]=4 3014 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,2,0,0,0,0|2,0,0]=4 3015 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,2,0,0,0,0|2,0,0]=4 3016 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,2,0,0,0,0|2,0,0]=4 3017 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,2,0,0,0,0|2,0,0]=4 3018 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,2,0,0,0,0|2,0,0]=4 3019 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,2,0,0,0,0|2,0,0]=4 3020 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,2,0,0,0,0|2,0,0]=4 3021 B8R0.3 CNC(=O)N(C)CCO 2708a_100102657272_100000210263 [0,2,0,0,0,0|2,0,0]=4 3022 B8R0.3 CNC(=O)N(C)CCO 273464a_100102657272_100000210263 [0,2,0,0,0,0|2,0,0]=4 3023 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,2,0,0,0,0|2,0,0]=4 3024 B8R0.3 CNCC(=O)N(C)OC 2230a_100015207273_200000210301 [0,2,0,0,0,0|2,0,0]=4 3025 B8R0.3 CNCC(=O)N(C)OC 2230a_106832991635_100000764215 [0,2,0,0,0,0|2,0,0]=4 3026 B8R0.3 CNCC(=O)N(C)OC 7a_106832991635_100000764215 [0,2,0,0,0,0|2,0,0]=4 3027 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,2,0,0,0,0|2,0,0]=4 3028 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,2,0,0,0,0|2,0,0]=4 3029 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,2,0,0,0,0|2,0,0]=4 3030 B8R0.3 CNNC(=O)C(C)C#N 22a_100016993582_100000753662 [0,2,0,0,0,0|2,0,0]=4 3031 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [0,2,0,0,0,0|2,0,0]=4 3032 B8R0.3 CNNC(=O)C(C)SC 22a_100016993582_100000149566 [0,2,0,0,0,0|2,0,0]=4 3033 B8R0.3 CNNC(=O)C(O)CO 22a_100016993582_100011215603 [0,2,0,0,0,0|2,0,0]=4 3034 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,2,0,0,0,0|2,0,0]=4 3035 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,2,0,0,0,0|2,0,0]=4 3036 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,2,0,0,0,0|2,0,0]=4 3037 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,2,0,0,0,0|2,0,0]=4 3038 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,2,0,0,0,0|2,0,0]=4 3039 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,2,0,0,0,0|2,0,0]=4 3040 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,2,0,0,0,0|2,0,0]=4 3041 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,2,0,0,0,0|2,0,0]=4 3042 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,2,0,0,0,0|2,0,0]=4 3043 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,2,0,0,0,0|2,0,0]=4 3044 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,2,0,0,0,0|2,0,0]=4 3045 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,2,0,0,0,0|2,0,0]=4 3046 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|2,0,0]=4 3047 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,2,0,0,0,0|2,0,0]=4 3048 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,2,0,0,0,0|2,0,0]=4 3049 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,2,0,0,0,0|2,0,0]=4 3050 B8R0.3 COCC(=O)C(C)C#N 1458a_100000210968_100000703298 [0,2,0,0,0,0|2,0,0]=4 3051 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,2,0,0,0,0|2,0,0]=4 3052 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,2,0,0,0,0|2,0,0]=4 3053 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,2,0,0,0,0|2,0,0]=4 3054 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,2,0,0,0,0|2,0,0]=4 3055 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,2,0,0,0,0|2,0,0]=4 3056 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,2,0,0,0,0|2,0,0]=4 3057 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|2,0,0]=4 3058 B8R0.3 CON(C)C(=O)CN[13CH3] 2230a_100015207273_200025704644 [0,2,0,0,0,0|2,0,0]=4 3059 B8R0.3 CON(C)C(=O)CSC 62a_100000764215_200000210301 [0,2,0,0,0,0|2,0,0]=4 3060 B8R0.3 CON(C)C(=O)CSC 62a_200000210301_100000764215 [0,2,0,0,0,0|2,0,0]=4 3061 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_100000764215_200025704644 [0,2,0,0,0,0|2,0,0]=4 3062 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_200025704644_100000764215 [0,2,0,0,0,0|2,0,0]=4 3063 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [0,2,0,0,0,0|2,0,0]=4 3064 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,2,0,0,0,0|2,0,0]=4 3065 B8R0.3 CSCC(=O)C(C)C#N 1458a_100000184570_100000703298 [0,2,0,0,0,0|2,0,0]=4 3066 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,2,0,0,0,0|2,0,0]=4 3067 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,2,0,0,0,0|2,0,0]=4 3068 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,2,0,0,0,0|2,0,0]=4 3069 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,2,0,0,0,0|0,0,2]=4 3070 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,2,0,0,0,0|1,0,0]=3 3071 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,2,0,0,0,0|1,0,0]=3 3072 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,2,0,0,0,0|2,0,0]=4 3073 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,2,0,0,0,0|2,0,0]=4 3074 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,2,0,0,0,0|2,0,0]=4 3075 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,2,0,0,0,0|2,0,0]=4 3076 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,2,0,0,0,0|2,0,0]=4 3077 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,2,0,0,0,0|2,0,0]=4 3078 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,2,0,0,0,0|1,0,0]=3 3079 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,2,0,0,0,0|1,0,0]=3 3080 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,2,0,0,0,0|1,0,0]=3 3081 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,2,0,0,0,0|1,0,0]=3 3082 B8R0.6 C#CCCNC(=O)CO 240690a_100000755551_100000210174 [0,2,0,0,0,0|2,0,0]=4 3083 B8R0.6 C#CCCNC(=O)CO 527a_100000755551_100000210174 [0,2,0,0,0,0|2,0,0]=4 3084 B8R0.6 C#CCCNC(=O)NC 2708a_100000755551_106832991635 [0,2,0,0,0,0|2,0,0]=4 3085 B8R0.6 C#CCCNC(=O)NC 2708a_100102657272_100000755551 [0,2,0,0,0,0|2,0,0]=4 3086 B8R0.6 C#CCCNC(=O)NC 273464a_100000755551_100102657272 [0,2,0,0,0,0|2,0,0]=4 3087 B8R0.6 C#CCCNC(=O)NC 273464a_100102657272_100000755551 [0,2,0,0,0,0|2,0,0]=4 3088 B8R0.6 C#CCCNC(=O)NC 512a_100000755551_100102657272 [0,2,0,0,0,0|2,0,0]=4 3089 B8R0.6 C#CCCNC(=O)NC 512a_106832991638_100000755551 [0,2,0,0,0,0|2,0,0]=4 3090 B8R0.6 C#CCCOC(C)CC 34a_100011215631_100011215416 [0,2,0,0,0,0|1,0,1]=4 3091 B8R0.6 C#CCCOC(C)CC 7a_100000210228_100000688953 [0,2,0,0,0,0|1,0,1]=4 3092 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [0,2,0,0,0,0|0,0,1]=3 3093 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [0,2,0,0,0,0|0,0,1]=3 3094 B8R0.6 C#CCOCC(=O)CF 1458a_100011251226_100015361967 [0,2,0,0,0,0|1,0,1]=4 3095 B8R0.6 C#CCOCC(=O)NC 11a_106832991635_100011251226 [0,2,0,0,0,0|1,0,1]=4 3096 B8R0.6 C#CCOCC(=O)NC 1626a_100102657272_100011251226 [0,2,0,0,0,0|1,0,1]=4 3097 B8R0.6 C#CCOCC(=O)NC 34a_100000210247_100000183359 [0,2,0,0,0,0|1,0,1]=4 3098 B8R0.6 C#CCOCC(=O)NC 34a_100000750040_100000184674 [0,2,0,0,0,0|1,0,1]=4 3099 B8R0.6 C#CCOCC(=O)NC 527a_100102657272_100011251226 [0,2,0,0,0,0|1,0,1]=4 3100 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [0,2,0,0,0,0|1,0,1]=4 3101 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [0,2,0,0,0,0|0,1,1]=4 3102 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,2,0,0,0,0|1,0,1]=4 3103 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [0,2,0,0,0,0|1,0,1]=4 3104 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [0,2,0,0,0,0|1,0,1]=4 3105 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,2,0,0,0,0|0,0,2]=4 3106 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,2,0,0,0,0|0,0,2]=4 3107 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,2,0,0,0,0|0,0,2]=4 3108 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,2,0,0,0,0|0,0,2]=4 3109 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,2,0,0,0,0|0,0,2]=4 3110 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,2,0,0,0,0|0,0,2]=4 3111 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,2,0,0,0,0|0,0,2]=4 3112 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,2,0,0,0,0|0,0,2]=4 3113 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,2,0,0,0,0|0,0,2]=4 3114 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,2,0,0,0,0|1,0,0]=3 3115 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,2,0,0,0,0|1,0,0]=3 3116 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,2,0,0,0,0|2,0,0]=4 3117 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,2,0,0,0,0|2,0,0]=4 3118 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,2,0,0,0,0|2,0,0]=4 3119 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,2,0,0,0,0|2,0,0]=4 3120 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,2,0,0,0,0|2,0,0]=4 3121 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,2,0,0,0,0|2,0,0]=4 3122 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,2,0,0,0,0|1,0,0]=3 3123 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,2,0,0,0,0|1,0,0]=3 3124 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,2,0,0,0,0|1,0,0]=3 3125 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,2,0,0,0,0|1,0,0]=3 3126 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [0,2,0,0,0,0|2,0,0]=4 3127 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [0,2,0,0,0,0|2,0,0]=4 3128 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [0,2,0,0,0,0|2,0,0]=4 3129 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [0,2,0,0,0,0|2,0,0]=4 3130 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [0,2,0,0,0,0|2,0,0]=4 3131 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [0,2,0,0,0,0|2,0,0]=4 3132 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [0,2,0,0,0,0|2,0,0]=4 3133 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [0,2,0,0,0,0|2,0,0]=4 3134 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [0,2,0,0,0,0|1,0,1]=4 3135 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [0,2,0,0,0,0|1,0,1]=4 3136 B8R0.6 C=CCNNC(=O)CC 22a_100020588587_100000210414 [0,2,0,0,0,0|1,0,1]=4 3137 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,2,0,0,0,0|0,0,1]=3 3138 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [0,2,0,0,0,0|1,0,1]=4 3139 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [0,2,0,0,0,0|1,0,1]=4 3140 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,2,0,0,0,0|1,0,1]=4 3141 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,2,0,0,0,0|0,1,1]=4 3142 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,2,0,0,0,0|0,1,1]=4 3143 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,2,0,0,0,0|0,1,1]=4 3144 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,2,0,0,0,0|0,0,2]=4 3145 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [0,2,0,0,0,0|1,0,0]=3 3146 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [0,2,0,0,0,0|1,0,0]=3 3147 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [0,2,0,0,0,0|1,0,0]=3 3148 B8R0.6 CC#CCNC(=O)CO 527a_100000685387_100000210174 [0,2,0,0,0,0|2,0,0]=4 3149 B8R0.6 CC#CCNC(=O)NC 2708a_100102657272_100000685387 [0,2,0,0,0,0|2,0,0]=4 3150 B8R0.6 CC#CCNC(=O)NC 273464a_100000685387_100102657272 [0,2,0,0,0,0|2,0,0]=4 3151 B8R0.6 CC#CCNC(=O)NC 273464a_100102657272_100000685387 [0,2,0,0,0,0|2,0,0]=4 3152 B8R0.6 CC#CCNC(=O)NC 512a_100000685387_100102657272 [0,2,0,0,0,0|2,0,0]=4 3153 B8R0.6 CC#CCNC(=O)NC 512a_106832991638_100000685387 [0,2,0,0,0,0|2,0,0]=4 3154 B8R0.6 CC#CCOC(C)CC 34a_100000761923_100011215416 [0,2,0,0,0,0|1,0,1]=4 3155 B8R0.6 CC#CCOC(C)CC 7a_100000210228_100000748600 [0,2,0,0,0,0|1,0,1]=4 3156 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,2,0,0,0,0|1,0,0]=3 3157 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,2,0,0,0,0|2,0,0]=4 3158 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,2,0,0,0,0|2,0,0]=4 3159 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,2,0,0,0,0|2,0,0]=4 3160 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,2,0,0,0,0|2,0,0]=4 3161 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,2,0,0,0,0|2,0,0]=4 3162 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,2,0,0,0,0|1,0,0]=3 3163 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,2,0,0,0,0|2,0,0]=4 3164 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [0,2,0,0,0,0|1,0,1]=4 3165 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,2,0,0,0,0|1,0,0]=3 3166 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,2,0,0,0,0|2,0,0]=4 3167 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,2,0,0,0,0|1,0,0]=3 3168 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [0,2,0,0,0,0|1,0,1]=4 3169 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,2,0,0,0,0|1,0,0]=3 3170 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,2,0,0,0,0|1,0,0]=3 3171 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,2,0,0,0,0|1,0,0]=3 3172 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,2,0,0,0,0|1,0,0]=3 3173 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,2,0,0,0,0|1,0,0]=3 3174 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,2,0,0,0,0|1,0,0]=3 3175 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,2,0,0,0,0|1,0,0]=3 3176 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,2,0,0,0,0|1,0,0]=3 3177 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [0,2,0,0,0,0|2,0,0]=4 3178 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,2,0,0,0,0|0,0,1]=3 3179 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,2,0,0,0,0|0,0,0]=2 3180 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,2,0,0,0,0|0,0,0]=2 3181 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,2,0,0,0,0|0,0,0]=2 3182 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,2,0,0,0,0|0,0,0]=2 3183 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [0,2,0,0,0,0|0,1,1]=4 3184 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [0,2,0,0,0,0|0,1,1]=4 3185 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [0,2,0,0,0,0|0,1,1]=4 3186 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,2,0,0,0,0|0,1,1]=4 3187 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,2,0,0,0,0|0,1,1]=4 3188 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,2,0,0,0,0|0,1,0]=3 3189 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,2,0,0,0,0|0,1,0]=3 3190 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,2,0,0,0,0|0,1,0]=3 3191 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,2,0,0,0,0|0,1,0]=3 3192 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,2,0,0,0,0|0,1,0]=3 3193 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,2,0,0,0,0|0,1,0]=3 3194 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,2,0,0,0,0|0,1,0]=3 3195 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,2,0,0,0,0|0,1,0]=3 3196 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,2,0,0,0,0|1,0,0]=3 3197 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,2,0,0,0,0|1,0,0]=3 3198 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,2,0,0,0,0|1,0,0]=3 3199 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,2,0,0,0,0|1,0,0]=3 3200 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,2,0,0,0,0|1,0,0]=3 3201 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,2,0,0,0,0|1,0,0]=3 3202 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,2,0,0,0,0|1,0,0]=3 3203 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,2,0,0,0,0|1,0,0]=3 3204 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,2,0,0,0,0|1,0,0]=3 3205 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,2,0,0,0,0|1,0,0]=3 3206 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,2,0,0,0,0|1,0,0]=3 3207 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,2,0,0,0,0|1,0,0]=3 3208 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,2,0,0,0,0|1,0,0]=3 3209 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,2,0,0,0,0|1,0,0]=3 3210 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,2,0,0,0,0|1,0,0]=3 3211 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,2,0,0,0,0|1,0,0]=3 3212 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,2,0,0,0,0|1,0,0]=3 3213 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,2,0,0,0,0|1,0,0]=3 3214 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,2,0,0,0,0|1,0,0]=3 3215 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,2,0,0,0,0|1,0,0]=3 3216 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,2,0,0,0,0|1,0,0]=3 3217 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,2,0,0,0,0|1,0,0]=3 3218 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,2,0,0,0,0|1,0,0]=3 3219 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,2,0,0,0,0|1,0,0]=3 3220 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,2,0,0,0,0|0,0,0]=2 3221 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,2,0,0,0,0|0,0,0]=2 3222 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [0,2,0,0,0,0|1,0,1]=4 3223 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [0,2,0,0,0,0|1,0,1]=4 3224 B8R0.6 CCC(C)OCCC#N 7a_100000210228_100000184422 [0,2,0,0,0,0|1,0,1]=4 3225 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [0,2,0,0,0,0|1,0,1]=4 3226 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [0,2,0,0,0,0|1,0,1]=4 3227 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [0,2,0,0,0,0|1,0,1]=4 3228 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [0,2,0,0,0,0|1,0,1]=4 3229 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [0,2,0,0,0,0|1,0,1]=4 3230 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,2,0,0,0,0|1,0,1]=4 3231 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [0,2,0,0,0,0|1,0,1]=4 3232 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [0,2,0,0,0,0|1,0,1]=4 3233 B8R0.6 CCC(C)OCCON 34a_100000700252_100011215416 [0,2,0,0,0,0|1,0,1]=4 3234 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [0,2,0,0,0,0|1,0,1]=4 3235 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [0,2,0,0,0,0|1,0,1]=4 3236 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [0,2,0,0,0,0|1,0,1]=4 3237 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [0,2,0,0,0,0|0,0,2]=4 3238 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [0,2,0,0,0,0|0,0,2]=4 3239 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,2,0,0,0,0|1,0,0]=3 3240 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,2,0,0,0,0|1,0,0]=3 3241 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,2,0,0,0,0|2,0,0]=4 3242 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,2,0,0,0,0|2,0,0]=4 3243 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,2,0,0,0,0|1,0,0]=3 3244 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,2,0,0,0,0|2,0,0]=4 3245 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,2,0,0,0,0|2,0,0]=4 3246 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,2,0,0,0,0|2,0,0]=4 3247 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,2,0,0,0,0|2,0,0]=4 3248 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,2,0,0,0,0|1,0,0]=3 3249 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,2,0,0,0,0|1,0,0]=3 3250 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,2,0,0,0,0|2,0,0]=4 3251 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,2,0,0,0,0|2,0,0]=4 3252 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,2,0,0,0,0|2,0,0]=4 3253 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,2,0,0,0,0|2,0,0]=4 3254 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,2,0,0,0,0|2,0,0]=4 3255 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,2,0,0,0,0|2,0,0]=4 3256 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,2,0,0,0,0|1,0,0]=3 3257 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,2,0,0,0,0|1,0,0]=3 3258 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,2,0,0,0,0|1,0,0]=3 3259 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,2,0,0,0,0|1,0,0]=3 3260 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,2,0,0,0,0|2,0,0]=4 3261 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,2,0,0,0,0|2,0,0]=4 3262 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,2,0,0,0,0|2,0,0]=4 3263 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,2,0,0,0,0|2,0,0]=4 3264 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,2,0,0,0,0|2,0,0]=4 3265 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,2,0,0,0,0|2,0,0]=4 3266 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,2,0,0,0,0|2,0,0]=4 3267 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,2,0,0,0,0|2,0,0]=4 3268 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,2,0,0,0,0|1,0,1]=4 3269 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,2,0,0,0,0|1,0,1]=4 3270 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,2,0,0,0,0|1,0,1]=4 3271 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,2,0,0,0,0|2,0,0]=4 3272 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,2,0,0,0,0|1,0,0]=3 3273 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,2,0,0,0,0|2,0,0]=4 3274 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,2,0,0,0,0|2,0,0]=4 3275 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,2,0,0,0,0|2,0,0]=4 3276 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,2,0,0,0,0|2,0,0]=4 3277 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,2,0,0,0,0|0,0,0]=2 3278 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,2,0,0,0,0|0,0,0]=2 3279 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,2,0,0,0,0|1,0,0]=3 3280 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,2,0,0,0,0|1,0,0]=3 3281 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,2,0,0,0,0|1,0,0]=3 3282 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,2,0,0,0,0|1,0,0]=3 3283 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,2,0,0,0,0|1,0,0]=3 3284 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,2,0,0,0,0|1,0,0]=3 3285 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,2,0,0,0,0|1,0,0]=3 3286 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,2,0,0,0,0|1,0,0]=3 3287 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,2,0,0,0,0|1,0,1]=4 3288 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,2,0,0,0,0|0,0,2]=4 3289 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,2,0,0,0,0|1,0,1]=4 3290 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,2,0,0,0,0|1,0,1]=4 3291 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,2,0,0,0,0|0,1,0]=3 3292 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,2,0,0,0,0|0,1,0]=3 3293 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,2,0,0,0,0|0,1,0]=3 3294 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,2,0,0,0,0|1,1,0]=4 3295 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,2,0,0,0,0|1,1,0]=4 3296 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,2,0,0,0,0|1,1,0]=4 3297 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,2,0,0,0,0|1,1,0]=4 3298 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,2,0,0,0,0|1,1,0]=4 3299 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,2,0,0,0,0|1,1,0]=4 3300 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,2,0,0,0,0|1,1,0]=4 3301 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,2,0,0,0,0|1,1,0]=4 3302 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,2,0,0,0,0|1,1,0]=4 3303 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,2,0,0,0,0|2,0,0]=4 3304 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,2,0,0,0,0|2,0,0]=4 3305 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,2,0,0,0,0|2,0,0]=4 3306 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,2,0,0,0,0|2,0,0]=4 3307 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,2,0,0,0,0|2,0,0]=4 3308 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,2,0,0,0,0|0,0,0]=2 3309 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [0,2,0,0,0,0|1,0,0]=3 3310 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,2,0,0,0,0|1,0,0]=3 3311 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,2,0,0,0,0|1,0,0]=3 3312 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,2,0,0,0,0|1,0,0]=3 3313 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,2,0,0,0,0|0,0,0]=2 3314 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,2,0,0,0,0|0,0,0]=2 3315 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,2,0,0,0,0|1,0,0]=3 3316 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,2,0,0,0,0|1,0,0]=3 3317 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,2,0,0,0,0|1,0,0]=3 3318 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,2,0,0,0,0|1,0,0]=3 3319 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,2,0,0,0,0|1,0,0]=3 3320 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,2,0,0,0,0|1,0,0]=3 3321 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,2,0,0,0,0|1,0,0]=3 3322 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,2,0,0,0,0|1,0,0]=3 3323 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,2,0,0,0,0|1,0,0]=3 3324 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,2,0,0,0,0|1,0,1]=4 3325 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [0,2,0,0,0,0|2,0,0]=4 3326 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [0,2,0,0,0,0|2,0,0]=4 3327 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [0,2,0,0,0,0|1,0,1]=4 3328 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [0,2,0,0,0,0|1,0,1]=4 3329 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,2,0,0,0,0|0,1,0]=3 3330 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,2,0,0,0,0|0,1,0]=3 3331 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,2,0,0,0,0|1,1,0]=4 3332 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,2,0,0,0,0|1,1,0]=4 3333 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,2,0,0,0,0|1,1,0]=4 3334 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,2,0,0,0,0|1,1,0]=4 3335 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,2,0,0,0,0|1,1,0]=4 3336 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,2,0,0,0,0|1,1,0]=4 3337 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,2,0,0,0,0|1,1,0]=4 3338 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,2,0,0,0,0|1,1,0]=4 3339 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,2,0,0,0,0|1,1,0]=4 3340 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,2,0,0,0,0|1,1,0]=4 3341 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,2,0,0,0,0|1,0,0]=3 3342 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [0,2,0,0,0,0|1,0,1]=4 3343 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [0,2,0,0,0,0|1,0,1]=4 3344 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [0,2,0,0,0,0|1,0,1]=4 3345 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,2,0,0,0,0|1,0,1]=4 3346 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,2,0,0,0,0|2,0,0]=4 3347 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,2,0,0,0,0|2,0,0]=4 3348 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,2,0,0,0,0|2,0,0]=4 3349 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,2,0,0,0,0|2,0,0]=4 3350 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,2,0,0,0,0|2,0,0]=4 3351 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,2,0,0,0,0|2,0,0]=4 3352 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,2,0,0,0,0|2,0,0]=4 3353 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,2,0,0,0,0|2,0,0]=4 3354 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,2,0,0,0,0|2,0,0]=4 3355 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,2,0,0,0,0|2,0,0]=4 3356 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,2,0,0,0,0|2,0,0]=4 3357 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,2,0,0,0,0|2,0,0]=4 3358 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,2,0,0,0,0|2,0,0]=4 3359 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,2,0,0,0,0|2,0,0]=4 3360 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,2,0,0,0,0|2,0,0]=4 3361 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,2,0,0,0,0|2,0,0]=4 3362 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,2,0,0,0,0|2,0,0]=4 3363 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,2,0,0,0,0|2,0,0]=4 3364 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,2,0,0,0,0|2,0,0]=4 3365 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,2,0,0,0,0|2,0,0]=4 3366 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,2,0,0,0,0|2,0,0]=4 3367 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,2,0,0,0,0|2,0,0]=4 3368 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,2,0,0,0,0|2,0,0]=4 3369 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,2,0,0,0,0|2,0,0]=4 3370 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,2,0,0,0,0|2,0,0]=4 3371 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,2,0,0,0,0|2,0,0]=4 3372 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,2,0,0,0,0|2,0,0]=4 3373 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,2,0,0,0,0|2,0,0]=4 3374 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,2,0,0,0,0|2,0,0]=4 3375 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,2,0,0,0,0|2,0,0]=4 3376 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,2,0,0,0,0|2,0,0]=4 3377 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,2,0,0,0,0|2,0,0]=4 3378 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,2,0,0,0,0|2,0,0]=4 3379 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,2,0,0,0,0|2,0,0]=4 3380 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [0,2,0,0,0,0|1,0,1]=4 3381 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,2,0,0,0,0|1,0,0]=3 3382 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,2,0,0,0,0|1,0,0]=3 3383 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,2,0,0,0,0|1,0,0]=3 3384 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,2,0,0,0,0|1,0,0]=3 3385 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,2,0,0,0,0|1,0,0]=3 3386 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,2,0,0,0,0|1,0,0]=3 3387 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,2,0,0,0,0|1,0,0]=3 3388 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,2,0,0,0,0|1,1,0]=4 3389 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,2,0,0,0,0|1,1,0]=4 3390 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,2,0,0,0,0|1,1,0]=4 3391 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,2,0,0,0,0|1,1,0]=4 3392 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,2,0,0,0,0|1,1,0]=4 3393 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,2,0,0,0,0|1,1,0]=4 3394 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,2,0,0,0,0|1,1,0]=4 3395 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,2,0,0,0,0|1,1,0]=4 3396 B8R0.6 CNC(=O)NCCC#N 2708a_100000720768_106832991635 [0,2,0,0,0,0|2,0,0]=4 3397 B8R0.6 CNC(=O)NCCC#N 2708a_100102657272_100000720768 [0,2,0,0,0,0|2,0,0]=4 3398 B8R0.6 CNC(=O)NCCC#N 273464a_100000720768_100102657272 [0,2,0,0,0,0|2,0,0]=4 3399 B8R0.6 CNC(=O)NCCC#N 273464a_100102657272_100000720768 [0,2,0,0,0,0|2,0,0]=4 3400 B8R0.6 CNC(=O)NCCC#N 512a_100000720768_100102657272 [0,2,0,0,0,0|2,0,0]=4 3401 B8R0.6 CNC(=O)NCCC#N 512a_106832991638_100000720768 [0,2,0,0,0,0|2,0,0]=4 3402 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,2,0,0,0,0|2,0,0]=4 3403 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,2,0,0,0,0|2,0,0]=4 3404 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,2,0,0,0,0|2,0,0]=4 3405 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,2,0,0,0,0|2,0,0]=4 3406 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,2,0,0,0,0|2,0,0]=4 3407 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,2,0,0,0,0|2,0,0]=4 3408 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,2,0,0,0,0|2,0,0]=4 3409 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,2,0,0,0,0|2,0,0]=4 3410 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,2,0,0,0,0|2,0,0]=4 3411 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,2,0,0,0,0|2,0,0]=4 3412 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,2,0,0,0,0|2,0,0]=4 3413 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,2,0,0,0,0|2,0,0]=4 3414 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,2,0,0,0,0|2,0,0]=4 3415 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,2,0,0,0,0|2,0,0]=4 3416 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,2,0,0,0,0|2,0,0]=4 3417 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,2,0,0,0,0|2,0,0]=4 3418 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,2,0,0,0,0|2,0,0]=4 3419 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,2,0,0,0,0|2,0,0]=4 3420 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,2,0,0,0,0|2,0,0]=4 3421 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,2,0,0,0,0|2,0,0]=4 3422 B8R0.6 CNC(=O)NNCCO 273464a_100102657272_100000210001 [0,2,0,0,0,0|2,0,0]=4 3423 B8R0.6 CNC(=O)NNCCO 512a_106832991638_100000210001 [0,2,0,0,0,0|2,0,0]=4 3424 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,2,0,0,0,0|1,0,0]=3 3425 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,2,0,0,0,0|1,0,0]=3 3426 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,2,0,0,0,0|1,0,0]=3 3427 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,2,0,0,0,0|1,0,0]=3 3428 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,2,0,0,0,0|1,0,0]=3 3429 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,2,0,0,0,0|2,0,0]=4 3430 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,2,0,0,0,0|2,0,0]=4 3431 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,2,0,0,0,0|2,0,0]=4 3432 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,2,0,0,0,0|2,0,0]=4 3433 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,2,0,0,0,0|2,0,0]=4 3434 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,2,0,0,0,0|2,0,0]=4 3435 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,2,0,0,0,0|2,0,0]=4 3436 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,2,0,0,0,0|2,0,0]=4 3437 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,2,0,0,0,0|2,0,0]=4 3438 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,2,0,0,0,0|2,0,0]=4 3439 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,2,0,0,0,0|2,0,0]=4 3440 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,2,0,0,0,0|2,0,0]=4 3441 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,2,0,0,0,0|1,0,0]=3 3442 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,2,0,0,0,0|1,0,0]=3 3443 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,2,0,0,0,0|2,0,0]=4 3444 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,2,0,0,0,0|2,0,0]=4 3445 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,2,0,0,0,0|2,0,0]=4 3446 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,2,0,0,0,0|2,0,0]=4 3447 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,2,0,0,0,0|2,0,0]=4 3448 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,2,0,0,0,0|2,0,0]=4 3449 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,2,0,0,0,0|2,0,0]=4 3450 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,2,0,0,0,0|2,0,0]=4 3451 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,2,0,0,0,0|2,0,0]=4 3452 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,2,0,0,0,0|2,0,0]=4 3453 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,2,0,0,0,0|2,0,0]=4 3454 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,2,0,0,0,0|2,0,0]=4 3455 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,2,0,0,0,0|2,0,0]=4 3456 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,2,0,0,0,0|1,0,0]=3 3457 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,2,0,0,0,0|1,0,0]=3 3458 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,2,0,0,0,0|1,1,0]=4 3459 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,2,0,0,0,0|1,1,0]=4 3460 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,2,0,0,0,0|1,1,0]=4 3461 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,2,0,0,0,0|1,1,0]=4 3462 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,2,0,0,0,0|1,1,0]=4 3463 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,2,0,0,0,0|1,1,0]=4 3464 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,2,0,0,0,0|2,0,0]=4 3465 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,2,0,0,0,0|1,0,0]=3 3466 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,2,0,0,0,0|1,0,0]=3 3467 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,2,0,0,0,0|2,0,0]=4 3468 B8R0.6 COCC=CC(=O)CF 1458a_100016285016_100015361967 [0,2,0,0,0,0|2,0,0]=4 3469 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,2,0,0,0,0|2,0,0]=4 3470 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,2,0,0,0,0|2,0,0]=4 3471 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,2,0,0,0,0|2,0,0]=4 3472 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,2,0,0,0,0|2,0,0]=4 3473 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,2,0,0,0,0|2,0,0]=4 3474 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,2,0,0,0,0|2,0,0]=4 3475 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,2,0,0,0,0|1,0,0]=3 3476 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,2,0,0,0,0|1,1,0]=4 3477 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,2,0,0,0,0|1,1,0]=4 3478 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,2,0,0,0,0|2,0,0]=4 3479 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,2,0,0,0,0|2,0,0]=4 3480 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,2,0,0,0,0|2,0,0]=4 3481 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,2,0,0,0,0|2,0,0]=4 3482 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,2,0,0,0,0|2,0,0]=4 3483 B8R0.6 N#CCCNC(=O)CO 240690a_100000720768_100000210174 [0,2,0,0,0,0|2,0,0]=4 3484 B8R0.6 N#CCCNC(=O)CO 527a_100000720768_100000210174 [0,2,0,0,0,0|2,0,0]=4 3485 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,2,0,0,0,0|2,0,0]=4 3486 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,2,0,0,0,0|1,0,0]=3 3487 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,2,0,0,0,0|2,0,0]=4 3488 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,2,0,0,0,0|2,0,0]=4 3489 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,2,0,0,0,0|2,0,0]=4 3490 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,2,0,0,0,0|2,0,0]=4 3491 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,2,0,0,0,0|2,0,0]=4 3492 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,2,0,0,0,0|2,0,0]=4 3493 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [0,2,0,0,0,0|2,0,0]=4 3494 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [0,2,0,0,0,0|1,0,1]=4 3495 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [0,2,0,0,0,0|1,0,1]=4 3496 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [0,2,0,0,0,0|1,0,1]=4 3497 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,2,0,0,0,0|1,0,1]=4 3498 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,2,0,0,0,0|1,0,1]=4 3499 B8R0.8 C#CCNC(=O)C(C)C 11a_100000212058_100000210198 [0,2,0,0,0,0|1,0,1]=4 3500 B8R0.8 C#CCNC(=O)C(C)C 1626a_100000212058_100000210198 [0,2,0,0,0,0|1,0,1]=4 3501 B8R0.8 C#CCNC(=O)C(C)C 240690a_100000212058_100000210198 [0,2,0,0,0,0|1,0,1]=4 3502 B8R0.8 C#CCNC(=O)C(C)C 527a_100000212058_100000210198 [0,2,0,0,0,0|1,0,1]=4 3503 B8R0.8 C#CCNC(=O)C(C)F 11a_100000212058_100000062450 [0,2,0,0,0,0|1,0,1]=4 3504 B8R0.8 C#CCNC(=O)C(C)F 1626a_100000212058_100000062450 [0,2,0,0,0,0|1,0,1]=4 3505 B8R0.8 C#CCNC(=O)C(C)F 240690a_100000212058_100000062450 [0,2,0,0,0,0|1,0,1]=4 3506 B8R0.8 C#CCNC(=O)C(C)F 527a_100000212058_100000062450 [0,2,0,0,0,0|1,0,1]=4 3507 B8R0.8 C#CCNC(=O)[C@@H](C)O 240690a_100000212058_100000717761 [0,2,0,0,0,0|1,0,1]=4 3508 B8R0.8 C#CCNC(=O)[C@H](C)O 1626a_100000212058_217856618621 [0,2,0,0,0,0|1,0,1]=4 3509 B8R0.8 C#CCNC(=O)[C@H](C)O 240690a_100000212058_217856618621 [0,2,0,0,0,0|1,0,1]=4 3510 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,2,0,0,0,0|1,0,1]=4 3511 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [0,2,0,0,0,0|1,0,1]=4 3512 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,2,0,0,0,0|1,0,1]=4 3513 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,2,0,0,0,0|1,0,1]=4 3514 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,2,0,0,0,0|1,0,1]=4 3515 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,2,0,0,0,0|1,0,1]=4 3516 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,2,0,0,0,0|1,0,1]=4 3517 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,2,0,0,0,0|1,0,1]=4 3518 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,2,0,0,0,0|1,0,1]=4 3519 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,2,0,0,0,0|1,0,1]=4 3520 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,2,0,0,0,0|1,0,1]=4 3521 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [0,2,0,0,0,0|1,0,1]=4 3522 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [0,2,0,0,0,0|1,0,1]=4 3523 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [0,2,0,0,0,0|1,0,1]=4 3524 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,2,0,0,0,0|1,0,1]=4 3525 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,2,0,0,0,0|1,0,1]=4 3526 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [0,2,0,0,0,0|1,0,1]=4 3527 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,2,0,0,0,0|1,0,1]=4 3528 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,2,0,0,0,0|1,0,1]=4 3529 B8R0.8 C=CCNC(=O)C(C)C 1626a_100020586998_100000210198 [0,2,0,0,0,0|1,0,1]=4 3530 B8R0.8 C=CCNC(=O)C(C)C 240690a_100020586998_100000210198 [0,2,0,0,0,0|1,0,1]=4 3531 B8R0.8 C=CCNC(=O)C(C)C 527a_100020586998_100000210198 [0,2,0,0,0,0|1,0,1]=4 3532 B8R0.8 C=CCNC(=O)C(C)F 1626a_100020586998_100000062450 [0,2,0,0,0,0|1,0,1]=4 3533 B8R0.8 C=CCNC(=O)C(C)F 240690a_100020586998_100000062450 [0,2,0,0,0,0|1,0,1]=4 3534 B8R0.8 C=CCNC(=O)C(C)F 527a_100020586998_100000062450 [0,2,0,0,0,0|1,0,1]=4 3535 B8R0.8 C=CCNC(=O)[C@@H](C)O 240690a_100020586998_100000717761 [0,2,0,0,0,0|1,0,1]=4 3536 B8R0.8 C=CCNC(=O)[C@H](C)O 1626a_100020586998_217856618621 [0,2,0,0,0,0|1,0,1]=4 3537 B8R0.8 C=CCNC(=O)[C@H](C)O 240690a_100020586998_217856618621 [0,2,0,0,0,0|1,0,1]=4 3538 B8R0.8 CC#CCC(=O)C(C)C 1458a_100000210198_100000748600 [0,2,0,0,0,0|1,0,1]=4 3539 B8R0.8 CC#CCC(=O)C(C)F 1458a_100000062450_100000748600 [0,2,0,0,0,0|1,0,1]=4 3540 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [0,2,0,0,0,0|1,0,1]=4 3541 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [0,2,0,0,0,0|1,0,1]=4 3542 B8R0.8 CC(C)C(=O)C#CCO 1458a_100000049017_100000210206 [0,2,0,0,0,0|1,0,1]=4 3543 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [0,2,0,0,0,0|1,0,1]=4 3544 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [0,2,0,0,0,0|1,0,1]=4 3545 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,2,0,0,0,0|1,0,0]=3 3546 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,2,0,0,0,0|1,0,0]=3 3547 B8R0.8 CC(C)C(=O)CSCF 62a_100000753385_100015361967 [0,2,0,0,0,0|1,1,0]=4 3548 B8R0.8 CC(C)C(=O)CSCF 62a_100015361967_100000753385 [0,2,0,0,0,0|1,1,0]=4 3549 B8R0.8 CC(C)C(=O)NCC#N 1626a_100000734998_100000210198 [0,2,0,0,0,0|1,0,1]=4 3550 B8R0.8 CC(C)C(=O)NCC#N 527a_100000734998_100000210198 [0,2,0,0,0,0|1,0,1]=4 3551 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,2,0,0,0,0|1,0,0]=3 3552 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,2,0,0,0,0|1,0,0]=3 3553 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,2,0,0,0,0|1,0,0]=3 3554 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,2,0,0,0,0|1,0,0]=3 3555 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,2,0,0,0,0|1,0,0]=3 3556 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,2,0,0,0,0|1,0,0]=3 3557 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,2,0,0,0,0|0,0,0]=2 3558 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,2,0,0,0,0|0,0,0]=2 3559 B8R0.8 CC(C)C(C)OCCF 7a_100000748068_100011217306 [0,2,0,0,0,0|1,0,1]=4 3560 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [0,2,0,0,0,0|1,0,1]=4 3561 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [0,2,0,0,0,0|1,0,1]=4 3562 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,2,0,0,0,0|1,0,0]=3 3563 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,2,0,0,0,0|1,0,0]=3 3564 B8R0.8 CC(F)C(=O)NCC#N 1626a_100000734998_100000062450 [0,2,0,0,0,0|1,0,1]=4 3565 B8R0.8 CC(F)C(=O)NCC#N 527a_100000734998_100000062450 [0,2,0,0,0,0|1,0,1]=4 3566 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,2,0,0,0,0|1,0,0]=3 3567 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,2,0,0,0,0|1,0,0]=3 3568 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,2,0,0,0,0|1,0,0]=3 3569 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,2,0,0,0,0|1,0,0]=3 3570 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,2,0,0,0,0|1,0,0]=3 3571 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,2,0,0,0,0|1,0,0]=3 3572 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,2,0,0,0,0|1,0,1]=4 3573 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,2,0,0,0,0|1,0,1]=4 3574 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [0,2,0,0,0,0|1,0,1]=4 3575 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,2,0,0,0,0|1,0,1]=4 3576 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,2,0,0,0,0|1,0,1]=4 3577 B8R0.8 CC=NNC(=O)C(C)C 4a_100000184118_200000210099 [0,2,0,0,0,0|1,0,1]=4 3578 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [0,2,0,0,0,0|1,0,0]=3 3579 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,2,0,0,0,0|1,0,0]=3 3580 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [0,2,0,0,0,0|2,0,0]=4 3581 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [0,2,0,0,0,0|2,0,0]=4 3582 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [0,2,0,0,0,0|2,0,0]=4 3583 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,2,0,0,0,0|1,0,0]=3 3584 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,2,0,0,0,0|1,0,0]=3 3585 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,2,0,0,0,0|1,0,0]=3 3586 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,2,0,0,0,0|2,0,0]=4 3587 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,2,0,0,0,0|2,0,0]=4 3588 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,2,0,0,0,0|2,0,0]=4 3589 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,2,0,0,0,0|2,0,0]=4 3590 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,2,0,0,0,0|2,0,0]=4 3591 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,2,0,0,0,0|1,0,0]=3 3592 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,2,0,0,0,0|1,0,0]=3 3593 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,2,0,0,0,0|1,0,1]=4 3594 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,2,0,0,0,0|1,0,1]=4 3595 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,2,0,0,0,0|1,0,0]=3 3596 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,2,0,0,0,0|1,0,0]=3 3597 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,2,0,0,0,0|1,0,0]=3 3598 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,2,0,0,0,0|1,0,0]=3 3599 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,2,0,0,0,0|1,0,0]=3 3600 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,2,0,0,0,0|1,0,0]=3 3601 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,2,0,0,0,0|1,0,0]=3 3602 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,2,0,0,0,0|1,0,0]=3 3603 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [0,2,0,0,0,0|2,0,0]=4 3604 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [0,2,0,0,0,0|2,0,0]=4 3605 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [0,2,0,0,0,0|2,0,0]=4 3606 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [0,2,0,0,0,0|2,0,0]=4 3607 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,2,0,0,0,0|2,0,0]=4 3608 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,2,0,0,0,0|2,0,0]=4 3609 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,2,0,0,0,0|1,0,0]=3 3610 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,2,0,0,0,0|1,0,0]=3 3611 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,2,0,0,0,0|1,0,0]=3 3612 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,2,0,0,0,0|1,0,1]=4 3613 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,2,0,0,0,0|1,0,0]=3 3614 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [0,2,0,0,0,0|2,0,0]=4 3615 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [0,2,0,0,0,0|2,0,0]=4 3616 B8R0.8 CCNN=C(C)C(C)C 4a_100000756455_100000211110 [0,2,0,0,0,0|2,0,0]=4 3617 B8R0.8 CCNN=C(C)C(C)O 4a_100000756455_100000212229 [0,2,0,0,0,0|2,0,0]=4 3618 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [0,2,0,0,0,0|1,0,0]=3 3619 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [0,2,0,0,0,0|1,0,0]=3 3620 B8R0.8 CCNNC(=O)C(F)F 22a_100000756455_100000210393 [0,2,0,0,0,0|2,0,0]=4 3621 B8R0.8 CCNNC(=O)C(O)O 22a_100000756455_100000233687 [0,2,0,0,0,0|2,0,0]=4 3622 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,2,0,0,0,0|1,0,0]=3 3623 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,2,0,0,0,0|1,0,0]=3 3624 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,2,0,0,0,0|0,0,1]=3 3625 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,2,0,0,0,0|0,0,0]=2 3626 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,2,0,0,0,0|0,0,0]=2 3627 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,2,0,0,0,0|1,0,0]=3 3628 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,2,0,0,0,0|1,0,0]=3 3629 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,2,0,0,0,0|1,0,0]=3 3630 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,2,0,0,0,0|1,0,0]=3 3631 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,2,0,0,0,0|1,0,0]=3 3632 B8R0.8 CCOCN(C)C(C)C 269982a_200000211004_100000739092 [0,2,0,0,0,0|2,0,0]=4 3633 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,2,0,0,0,0|1,0,1]=4 3634 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,2,0,0,0,0|0,1,1]=4 3635 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,2,0,0,0,0|0,1,1]=4 3636 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,2,0,0,0,0|0,1,0]=3 3637 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,2,0,0,0,0|0,1,0]=3 3638 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,2,0,0,0,0|0,1,0]=3 3639 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [0,2,0,0,0,0|1,1,0]=4 3640 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [0,2,0,0,0,0|1,1,0]=4 3641 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [0,2,0,0,0,0|1,1,0]=4 3642 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [0,2,0,0,0,0|1,1,0]=4 3643 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [0,2,0,0,0,0|1,1,0]=4 3644 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [0,2,0,0,0,0|1,1,0]=4 3645 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,2,0,0,0,0|2,0,0]=4 3646 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,2,0,0,0,0|2,0,0]=4 3647 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,2,0,0,0,0|2,0,0]=4 3648 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,2,0,0,0,0|2,0,0]=4 3649 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,2,0,0,0,0|2,0,0]=4 3650 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,2,0,0,0,0|2,0,0]=4 3651 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,2,0,0,0,0|2,0,0]=4 3652 B8R0.8 COC=CC(=O)C(C)C 1458a_100016268678_100000210206 [0,2,0,0,0,0|1,0,1]=4 3653 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,2,0,0,0,0|1,0,0]=3 3654 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,2,0,0,0,0|1,0,0]=3 3655 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,2,0,0,0,0|1,0,0]=3 3656 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,2,0,0,0,0|2,0,0]=4 3657 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,2,0,0,0,0|2,0,0]=4 3658 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,2,0,0,0,0|2,0,0]=4 3659 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,2,0,0,0,0|2,0,0]=4 3660 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,2,0,0,0,0|2,0,0]=4 3661 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,2,0,0,0,0|2,0,0]=4 3662 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,2,0,0,0,0|1,0,0]=3 3663 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,2,0,0,0,0|1,0,0]=3 3664 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,2,0,0,0,0|1,0,0]=3 3665 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,2,0,0,0,0|1,0,0]=3 3666 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,2,0,0,0,0|1,0,0]=3 3667 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,2,0,0,0,0|2,0,0]=4 3668 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,2,0,0,0,0|2,0,0]=4 3669 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,2,0,0,0,0|2,0,0]=4 3670 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,2,0,0,0,0|2,0,0]=4 3671 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,2,0,0,0,0|2,0,0]=4 3672 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,2,0,0,0,0|2,0,0]=4 3673 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,2,0,0,0,0|2,0,0]=4 3674 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,2,0,0,0,0|1,0,0]=3 3675 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,2,0,0,0,0|1,0,0]=3 3676 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,2,0,0,0,0|0,0,0]=2 3677 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,2,0,0,0,0|0,0,0]=2 3678 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,2,0,0,0,0|1,0,1]=4 3679 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,2,0,0,0,0|1,0,0]=3 3680 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,2,0,0,0,0|1,0,0]=3 3681 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,2,0,0,0,0|1,0,0]=3 3682 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,2,0,0,0,0|1,0,0]=3 3683 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,2,0,0,0,0|1,0,1]=4 3684 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,2,0,0,0,0|1,0,0]=3 3685 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,2,0,0,0,0|1,0,0]=3 3686 B8R0.8 C[C@H](O)C(=O)NCC#N 1626a_100000734998_217856618621 [0,2,0,0,0,0|1,0,1]=4 3687 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,2,0,0,0,0|1,0,0]=3 3688 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,2,0,0,0,0|1,0,0]=3 3689 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,2,0,0,0,0|1,0,0]=3 3690 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,2,0,0,0,0|2,0,0]=4 3691 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,2,0,0,0,0|2,0,0]=4 3692 B8R0.8 O=C(NCCF)C(F)F 11a_100000724931_100000210393 [0,2,0,0,0,0|2,0,0]=4 3693 B8R0.8 O=C(NCCF)C(F)F 1626a_100000724931_100000210393 [0,2,0,0,0,0|2,0,0]=4 3694 B8R0.8 O=C(NCCF)C(F)F 240690a_100000724931_100000210393 [0,2,0,0,0,0|2,0,0]=4 3695 B8R0.8 O=C(NCCF)C(F)F 527a_100000724931_100000210393 [0,2,0,0,0,0|2,0,0]=4 3696 B8R0.8 O=C(NCCF)C(O)O 240690a_100000724931_100000233687 [0,2,0,0,0,0|2,0,0]=4 3697 B8R0.8 O=C(NCCO)C(F)F 240690a_100000210304_100000210393 [0,2,0,0,0,0|2,0,0]=4 3698 B8R0.8 O=C(NCCO)C(F)F 527a_100000210304_100000210393 [0,2,0,0,0,0|2,0,0]=4 3699 B8R0.8 O=C(NCCO)C(O)O 240690a_100000210304_100000233687 [0,2,0,0,0,0|2,0,0]=4 3700 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,2,0,0,0,0|1,0,0]=3 3701 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,2,0,0,0,0|1,0,0]=3 3702 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,2,0,0,0,0|2,0,0]=4 3703 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,2,0,0,0,0|2,0,0]=4 3704 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,2,0,0,0,0|2,0,0]=4 3705 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,2,0,0,0,0|2,0,0]=4 3706 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,2,0,0,0,0|2,0,0]=4 3707 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,2,0,0,0,0|2,0,0]=4 3708 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,2,0,0,0,0|1,0,0]=3 3709 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,2,0,0,0,0|1,0,0]=3 3710 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,2,0,0,0,0|1,0,0]=3 3711 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,2,0,0,0,0|1,0,0]=3 3712 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,2,0,0,0,0|2,0,0]=4 3713 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,2,0,0,0,0|2,0,0]=4 3714 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,2,0,0,0,0|2,0,0]=4 3715 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,2,0,0,0,0|2,0,0]=4 3716 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,2,0,0,0,0|2,0,0]=4 3717 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,2,0,0,0,0|2,0,0]=4 3718 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,2,0,0,0,0|2,0,0]=4 3719 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,2,0,0,0,0|2,0,0]=4 3720 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,2,0,0,0,0|1,0,1]=4 3721 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,2,0,0,0,0|1,0,1]=4 3722 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [0,2,0,0,0,0|1,0,1]=4 3723 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [0,2,0,0,0,0|2,0,0]=4 3724 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,2,0,0,0,0|2,0,0]=4 3725 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,2,0,0,0,0|2,0,0]=4 3726 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,2,0,0,0,0|2,0,0]=4 3727 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,2,0,0,0,0|2,0,0]=4 3728 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [0,2,0,0,0,0|2,0,0]=4 3729 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,2,0,0,0,0|1,0,0]=3 3730 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [0,2,0,0,0,0|1,1,0]=4 3731 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,2,0,0,0,0|2,0,0]=4 3732 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,2,0,0,0,0|2,0,0]=4 3733 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,2,0,0,0,0|2,0,0]=4 3734 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,2,0,0,0,0|1,0,0]=3 3735 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,2,0,0,0,0|1,0,1]=4 3736 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,2,0,0,0,0|1,0,1]=4 3737 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,2,0,0,0,0|1,0,1]=4 3738 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,2,0,0,0,0|1,0,0]=3 3739 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,2,0,0,0,0|1,0,0]=3 3740 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,2,0,0,0,0|1,0,0]=3 3741 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,2,0,0,0,0|2,0,0]=4 3742 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,2,0,0,0,0|1,0,0]=3 3743 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,2,0,0,0,0|1,0,1]=4 3744 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,2,0,0,0,0|0,0,1]=3 3745 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,2,0,0,0,0|0,0,0]=2 3746 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,2,0,0,0,0|0,0,0]=2 3747 B8R0.9 CCC(=O)COC(F)F 1458a_200000719455_100000210202 [0,2,0,0,0,0|1,0,0]=3 3748 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,2,0,0,0,0|0,1,1]=4 3749 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,2,0,0,0,0|0,1,0]=3 3750 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,2,0,0,0,0|0,1,0]=3 3751 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,2,0,0,0,0|0,1,0]=3 3752 B8R0.9 CCC(=O)CSC(F)F 1458a_114828291038_100000210202 [0,2,0,0,0,0|1,1,0]=4 3753 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,2,0,0,0,0|1,0,0]=3 3754 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,2,0,0,0,0|1,0,1]=4 3755 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,2,0,0,0,0|1,0,1]=4 3756 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,2,0,0,0,0|1,0,1]=4 3757 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,2,0,0,0,0|1,0,0]=3 3758 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,2,0,0,0,0|1,0,0]=3 3759 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,2,0,0,0,0|1,0,0]=3 3760 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,2,0,0,0,0|1,0,0]=3 3761 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,2,0,0,0,0|1,0,0]=3 3762 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,2,0,0,0,0|1,0,0]=3 3763 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,2,0,0,0,0|1,0,0]=3 3764 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,2,0,0,0,0|1,0,0]=3 3765 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [0,2,0,0,0,0|1,0,0]=3 3766 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [0,2,0,0,0,0|1,0,0]=3 3767 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [0,2,0,0,0,0|1,0,0]=3 3768 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [0,2,0,0,0,0|1,0,0]=3 3769 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,2,0,0,0,0|1,0,1]=4 3770 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,2,0,0,0,0|1,0,1]=4 3771 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,2,0,0,0,0|1,0,0]=3 3772 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [0,2,0,0,0,0|1,0,1]=4 3773 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,2,0,0,0,0|1,0,1]=4 3774 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [0,2,0,0,0,0|1,0,1]=4 3775 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,2,0,0,0,0|1,0,1]=4 3776 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,2,0,0,0,0|1,0,1]=4 3777 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [0,2,0,0,0,0|1,0,1]=4 3778 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,2,0,0,0,0|1,0,1]=4 3779 B8R0.9 CCC(C)OCC(F)F 34a_100000743014_100011215416 [0,2,0,0,0,0|1,0,1]=4 3780 B8R0.9 CCC(C)OCC(F)F 7a_100000210228_100011934356 [0,2,0,0,0,0|1,0,1]=4 3781 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [0,2,0,0,0,0|1,0,1]=4 3782 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [0,2,0,0,0,0|1,0,1]=4 3783 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,2,0,0,0,0|1,0,1]=4 3784 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [0,2,0,0,0,0|0,0,2]=4 3785 B8R0.9 CCN(C)COC(C)C 2230a_100000225621_100000709892 [0,2,0,0,0,0|2,0,0]=4 3786 B8R0.9 CCN(C)COC(C)C 269982a_100000225621_100000709892 [0,2,0,0,0,0|2,0,0]=4 3787 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,2,0,0,0,0|2,0,0]=4 3788 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,2,0,0,0,0|2,0,0]=4 3789 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [0,2,0,0,0,0|1,0,1]=4 3790 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [0,2,0,0,0,0|1,0,1]=4 3791 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,2,0,0,0,0|2,0,0]=4 3792 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,2,0,0,0,0|2,0,0]=4 3793 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,2,0,0,0,0|2,0,0]=4 3794 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,2,0,0,0,0|2,0,0]=4 3795 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,2,0,0,0,0|2,0,0]=4 3796 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,2,0,0,0,0|2,0,0]=4 3797 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,2,0,0,0,0|2,0,0]=4 3798 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,2,0,0,0,0|2,0,0]=4 3799 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,2,0,0,0,0|2,0,0]=4 3800 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,2,0,0,0,0|2,0,0]=4 3801 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,2,0,0,0,0|2,0,0]=4 3802 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,2,0,0,0,0|2,0,0]=4 3803 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,2,0,0,0,0|2,0,0]=4 3804 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,2,0,0,0,0|2,0,0]=4 3805 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,2,0,0,0,0|2,0,0]=4 3806 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,2,0,0,0,0|2,0,0]=4 3807 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,2,0,0,0,0|2,0,0]=4 3808 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,2,0,0,0,0|2,0,0]=4 3809 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,2,0,0,0,0|2,0,0]=4 3810 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,2,0,0,0,0|2,0,0]=4 3811 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,2,0,0,0,0|2,0,0]=4 3812 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,2,0,0,0,0|2,0,0]=4 3813 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,2,0,0,0,0|2,0,0]=4 3814 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,2,0,0,0,0|2,0,0]=4 3815 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,2,0,0,0,0|2,0,0]=4 3816 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,2,0,0,0,0|1,0,1]=4 3817 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,2,0,0,0,0|1,0,1]=4 3818 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,2,0,0,0,0|1,0,1]=4 3819 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,2,0,0,0,0|1,0,0]=3 3820 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,2,0,0,0,0|1,0,0]=3 3821 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,2,0,0,0,0|1,0,0]=3 3822 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,2,0,0,0,0|1,0,0]=3 3823 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,2,0,0,0,0|1,0,0]=3 3824 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,2,0,0,0,0|1,0,0]=3 3825 B8R0.9 CNC(=O)COC(F)F 11a_106832991635_200000719455 [0,2,0,0,0,0|2,0,0]=4 3826 B8R0.9 CNC(=O)COC(F)F 1626a_100102657272_200000719455 [0,2,0,0,0,0|2,0,0]=4 3827 B8R0.9 CNC(=O)COC(F)F 240690a_100102657272_200000719455 [0,2,0,0,0,0|2,0,0]=4 3828 B8R0.9 CNC(=O)COC(F)F 527a_100102657272_200000719455 [0,2,0,0,0,0|2,0,0]=4 3829 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,2,0,0,0,0|1,1,0]=4 3830 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,2,0,0,0,0|1,1,0]=4 3831 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,2,0,0,0,0|1,1,0]=4 3832 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,2,0,0,0,0|1,1,0]=4 3833 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,2,0,0,0,0|1,1,0]=4 3834 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,2,0,0,0,0|1,1,0]=4 3835 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,2,0,0,0,0|2,0,0]=4 3836 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,2,0,0,0,0|2,0,0]=4 3837 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,2,0,0,0,0|2,0,0]=4 3838 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,2,0,0,0,0|2,0,0]=4 3839 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,2,0,0,0,0|2,0,0]=4 3840 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,2,0,0,0,0|2,0,0]=4 3841 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,2,0,0,0,0|2,0,0]=4 3842 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,2,0,0,0,0|2,0,0]=4 3843 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,2,0,0,0,0|2,0,0]=4 3844 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,2,0,0,0,0|2,0,0]=4 3845 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,2,0,0,0,0|2,0,0]=4 3846 B8R0.9 CNC(=O)NCC(F)F 2708a_100102657272_100000765723 [0,2,0,0,0,0|2,0,0]=4 3847 B8R0.9 CNC(=O)NCC(F)F 273464a_100000765723_100102657272 [0,2,0,0,0,0|2,0,0]=4 3848 B8R0.9 CNC(=O)NCC(F)F 273464a_100102657272_100000765723 [0,2,0,0,0,0|2,0,0]=4 3849 B8R0.9 CNC(=O)NCC(F)F 512a_100000765723_100102657272 [0,2,0,0,0,0|2,0,0]=4 3850 B8R0.9 CNC(=O)NCC(F)F 512a_106832991638_100000765723 [0,2,0,0,0,0|2,0,0]=4 3851 B8R0.9 CNC(=O)NNC(C)C 273464a_100102657272_100000741168 [0,2,0,0,0,0|2,0,0]=4 3852 B8R0.9 CNC(=O)NNC(C)C 512a_100000741168_100102657272 [0,2,0,0,0,0|2,0,0]=4 3853 B8R0.9 CNC(=O)NNC(C)C 512a_106832991638_100000741168 [0,2,0,0,0,0|2,0,0]=4 3854 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,2,0,0,0,0|2,0,0]=4 3855 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,2,0,0,0,0|2,0,0]=4 3856 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,2,0,0,0,0|2,0,0]=4 3857 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,2,0,0,0,0|2,0,0]=4 3858 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,2,0,0,0,0|2,0,0]=4 3859 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,2,0,0,0,0|2,0,0]=4 3860 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,2,0,0,0,0|2,0,0]=4 3861 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,2,0,0,0,0|2,0,0]=4 3862 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,2,0,0,0,0|1,0,0]=3 3863 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,2,0,0,0,0|1,1,0]=4 3864 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,2,0,0,0,0|1,1,0]=4 3865 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,2,0,0,0,0|2,0,0]=4 3866 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,2,0,0,0,0|2,0,0]=4 3867 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [0,2,0,0,0,0|2,0,0]=4 3868 B8R0.9 O=C(CF)COC(F)F 1458a_200000719455_100015361967 [0,2,0,0,0,0|2,0,0]=4 3869 B8R0.9 O=C(CO)NCC(F)F 240690a_100000765723_100000210174 [0,2,0,0,0,0|2,0,0]=4 3870 B8R0.9 O=C(CO)NCC(F)F 527a_100000765723_100000210174 [0,2,0,0,0,0|2,0,0]=4 3871 B8R0.11 C#CC(CC)OCCC 34a_100000758843_100000210303 [0,2,0,0,0,0|1,0,1]=4 3872 B8R0.11 C#CC(CC)OCCC 7a_100000758843_100000210303 [0,2,0,0,0,0|1,0,1]=4 3873 B8R0.11 C#CC(CC)OCCF 34a_100000758843_100011217306 [0,2,0,0,0,0|1,0,1]=4 3874 B8R0.11 C#CC(CC)OCCF 7a_100000758843_100011217306 [0,2,0,0,0,0|1,0,1]=4 3875 B8R0.11 C#CC(CC)OCCO 34a_100000758843_100000211926 [0,2,0,0,0,0|1,0,1]=4 3876 B8R0.11 C#CC(CC)OCCO 7a_100000758843_100000211926 [0,2,0,0,0,0|1,0,1]=4 3877 B8R0.11 C#CC(CC)OCSC 34a_100000758843_100011218213 [0,2,0,0,0,0|1,0,1]=4 3878 B8R0.11 C=CC(=NNCC)CC 4a_100000756455_100000747743 [0,2,0,0,0,0|2,0,0]=4 3879 B8R0.11 C=CC(CC)OCCC 34a_100000766422_100000210303 [0,2,0,0,0,0|1,0,1]=4 3880 B8R0.11 C=CC(CC)OCCC 7a_100000766422_100000210303 [0,2,0,0,0,0|1,0,1]=4 3881 B8R0.11 C=CC(CC)OCCF 34a_100000766422_100011217306 [0,2,0,0,0,0|1,0,1]=4 3882 B8R0.11 C=CC(CC)OCCF 7a_100000766422_100011217306 [0,2,0,0,0,0|1,0,1]=4 3883 B8R0.11 C=CC(CC)OCCO 34a_100000766422_100000211926 [0,2,0,0,0,0|1,0,1]=4 3884 B8R0.11 C=CC(CC)OCCO 7a_100000766422_100000211926 [0,2,0,0,0,0|1,0,1]=4 3885 B8R0.11 C=CC(CC)OCSC 34a_100000766422_100011218213 [0,2,0,0,0,0|1,0,1]=4 3886 B8R0.11 CCC(CC)OCCF 7a_100000688536_100011217306 [0,2,0,0,0,0|1,0,1]=4 3887 B8R0.11 CCC(CC)OCCO 7a_100000688536_100000211926 [0,2,0,0,0,0|1,0,1]=4 3888 B8R0.11 CCCOC(CC)CC 7a_100000688536_100000210303 [0,2,0,0,0,0|1,0,1]=4 3889 B8R0.11 CCNN=C(CC)CC 4a_100000756455_100000210860 [0,2,0,0,0,0|2,0,0]=4 3890 B8R0.11 CCNN=C(CC)CO 4a_100000756455_100000725409 [0,2,0,0,0,0|1,0,1]=4 3891 B8R0.11 CCOCC(CC)CC 34a_100121572206_100011215472 [0,2,0,0,0,0|1,0,1]=4 3892 B8R0.11 CCOCC(CC)CC 7a_100000703878_100000210202 [0,2,0,0,0,0|1,0,1]=4 3893 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [0,2,0,0,0,0|0,0,2]=4 3894 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [0,2,0,0,0,0|0,0,2]=4 3895 B8R0.11 CCOCN(CC)CC 269956a_100000042499_100000739092 [0,2,0,0,0,0|2,0,0]=4 3896 B8R0.11 CCOCN(CC)CC 269982a_100000724800_100000739092 [0,2,0,0,0,0|2,0,0]=4 3897 B8R0.11 CCOCN(CC)CC 7a_200015374951_100000210202 [0,2,0,0,0,0|2,0,0]=4 3898 B8R0.25 CCC(C)(C)OCCF 7a_100000210230_100011217306 [0,2,0,0,0,0|1,0,1]=4 3899 B8R0.25 CCC(C)(C)OCCO 7a_100000210230_100000211926 [0,2,0,0,0,0|1,0,1]=4 3900 B8R0.25 CCCNS(=O)(=O)CC 270084a_100020643023_100000211323 [0,2,0,0,0,0|2,0,0]=4 3901 B8R0.25 CCCNS(=O)(=O)CC 274078a_100020643023_100000211323 [0,2,0,0,0,0|2,0,0]=4 3902 B8R0.25 CCCNS(=O)(=O)CC 40a_100020643023_100000053943 [0,2,0,0,0,0|2,0,0]=4 3903 B8R0.25 CCCOC(C)(C)CC 7a_100000210230_100000210303 [0,2,0,0,0,0|1,0,1]=4 3904 B8R0.25 CCNNS(=O)(=O)CC 40a_100000756455_100000053943 [0,2,0,0,0,0|2,0,0]=4 3905 B8R0.25 CCOCC(C)(C)CC 7a_100000765029_100000210202 [0,2,0,0,0,0|1,0,1]=4 3906 B8R0.25 CCS(=O)(=O)CCNC 2230a_100000751051_200000210301 [0,2,0,0,0,0|2,0,0]=4 3907 B8R0.25 CCS(=O)(=O)CCNC 2230a_106832991635_100000756660 [0,2,0,0,0,0|2,0,0]=4 3908 B8R0.25 CCS(=O)(=O)CCNC 34a_100000751051_200000210301 [0,2,0,0,0,0|2,0,0]=4 3909 B8R0.25 CCS(=O)(=O)CCNC 34a_100102657272_100000756660 [0,2,0,0,0,0|2,0,0]=4 3910 B8R0.25 CCS(=O)(=O)CCNC 7a_106832991635_100000756660 [0,2,0,0,0,0|2,0,0]=4 3911 B8R0.25 CCS(=O)(=O)CCN[13CH3] 2230a_100000751051_200025704644 [0,2,0,0,0,0|2,0,0]=4 3912 B8R0.25 CCS(=O)(=O)CCN[13CH3] 34a_100000751051_200025704644 [0,2,0,0,0,0|2,0,0]=4 3913 B8R0.25 CCS(=O)(=O)CCOC 34a_100138415774_100000756660 [0,2,0,0,0,0|2,0,0]=4 3914 B8R0.25 CCS(=O)(=O)CCOC 34a_200011216379_200000210301 [0,2,0,0,0,0|2,0,0]=4 3915 B8R0.25 CCS(=O)(=O)CCOC 7a_200011216379_200000210301 [0,2,0,0,0,0|2,0,0]=4 3916 B8R0.25 CCS(=O)(=O)CCO[13CH3] 34a_200011216379_200025704644 [0,2,0,0,0,0|2,0,0]=4 3917 B8R0.25 CCS(=O)(=O)CCO[13CH3] 7a_200011216379_200025704644 [0,2,0,0,0,0|2,0,0]=4 3918 B8R0.25 CCS(=O)(=O)CCSC 62a_100000756660_200000210301 [0,2,0,0,0,0|2,0,0]=4 3919 B8R0.25 CCS(=O)(=O)CCSC 62a_200000210301_100000756660 [0,2,0,0,0,0|2,0,0]=4 3920 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_100000756660_200025704644 [0,2,0,0,0,0|2,0,0]=4 3921 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_200025704644_100000756660 [0,2,0,0,0,0|2,0,0]=4 3922 B8R0.25 CCS(=O)(=O)NCCF 270084a_100000724931_100000211323 [0,2,0,0,0,0|2,0,0]=4 3923 B8R0.25 CCS(=O)(=O)NCCF 274078a_100000724931_100000211323 [0,2,0,0,0,0|2,0,0]=4 3924 B8R0.25 CCS(=O)(=O)NCCF 40a_100000724931_100000053943 [0,2,0,0,0,0|2,0,0]=4 3925 B8R0.25 CCS(=O)(=O)NCCO 270084a_100000210304_100000211323 [0,2,0,0,0,0|2,0,0]=4 3926 B8R0.25 CCS(=O)(=O)NCCO 274078a_100000210304_100000211323 [0,2,0,0,0,0|2,0,0]=4 3927 B8R0.25 CCS(=O)(=O)NCCO 40a_100000210304_100000053943 [0,2,0,0,0,0|2,0,0]=4 3928 B8R0.12 CCNS(=O)(=O)C(C)C 270084a_100015525214_100000742656 [0,2,0,0,0,0|2,0,0]=4 3929 B8R0.12 CCNS(=O)(=O)C(C)C 274078a_100015525214_100000742656 [0,2,0,0,0,0|2,0,0]=4 3930 B8R0.12 CCOC(C)(C)C(C)C 7a_100011215261_100000210202 [0,2,0,0,0,0|1,0,1]=4 3931 B8R0.14 CC(C)(C)C(=O)CCF 1458a_106744555173_100011217306 [0,2,0,0,0,0|2,0,0]=4 3932 B8R0.14 CC(C)(C)C(=O)CCO 1458a_106744555173_100000211926 [0,2,0,0,0,0|2,0,0]=4 3933 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 34a_200011592769_200025704644 [0,2,0,0,0,0|2,0,0]=4 3934 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 7a_200011592769_200025704644 [0,2,0,0,0,0|2,0,0]=4 3935 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_100000210923_200025704644 [0,2,0,0,0,0|2,0,0]=4 3936 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_200025704644_100000210923 [0,2,0,0,0,0|2,0,0]=4 3937 B8R0.14 CC(C)(F)C(=O)CCF 1458a_100000765255_100011217306 [0,2,0,0,0,0|2,0,0]=4 3938 B8R0.14 CC(C)(F)C(=O)CCO 1458a_100000765255_100000211926 [0,2,0,0,0,0|2,0,0]=4 3939 B8R0.14 CC(C)(O)C(=O)CCF 1458a_100000242741_100011217306 [0,2,0,0,0,0|2,0,0]=4 3940 B8R0.14 CC(C)(O)C(=O)CCO 1458a_100000242741_100000211926 [0,2,0,0,0,0|2,0,0]=4 3941 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [0,2,0,0,0,0|1,0,0]=3 3942 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [0,2,0,0,0,0|1,0,0]=3 3943 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [0,2,0,0,0,0|1,0,0]=3 3944 B8R0.14 CCCC(=O)C(F)(F)F 1458a_100000211992_200000243211 [0,2,0,0,0,0|2,0,0]=4 3945 B8R0.14 CCCC(=O)C(F)(F)F 1458a_100015355933_100000210303 [0,2,0,0,0,0|2,0,0]=4 3946 B8R0.14 CCNC(=O)C(C)(C)C 11a_100015525214_106744555173 [0,2,0,0,0,0|1,0,0]=3 3947 B8R0.14 CCNC(=O)C(C)(C)C 240690a_100015525214_106744555173 [0,2,0,0,0,0|1,0,0]=3 3948 B8R0.14 CCNC(=O)C(C)(C)C 527a_100015525214_106744555173 [0,2,0,0,0,0|1,0,0]=3 3949 B8R0.14 CCNC(=O)C(C)(C)F 11a_100015525214_100000765255 [0,2,0,0,0,0|1,0,0]=3 3950 B8R0.14 CCNC(=O)C(C)(C)F 240690a_100015525214_100000765255 [0,2,0,0,0,0|1,0,0]=3 3951 B8R0.14 CCNC(=O)C(C)(C)F 527a_100015525214_100000765255 [0,2,0,0,0,0|1,0,0]=3 3952 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [0,2,0,0,0,0|1,0,0]=3 3953 B8R0.14 CCNC(=O)C(C)(F)F 11a_100015525214_100000042251 [0,2,0,0,0,0|1,0,0]=3 3954 B8R0.14 CCNC(=O)C(C)(F)F 240690a_100015525214_100000042251 [0,2,0,0,0,0|1,0,0]=3 3955 B8R0.14 CCNC(=O)C(C)(F)F 527a_100015525214_100000042251 [0,2,0,0,0,0|1,0,0]=3 3956 B8R0.14 CCNC(=O)C(F)(F)F 11a_100015525214_100015355933 [0,2,0,0,0,0|2,0,0]=4 3957 B8R0.14 CCNC(=O)C(F)(F)F 240690a_100015525214_100015355933 [0,2,0,0,0,0|2,0,0]=4 3958 B8R0.14 CCNC(=O)C(F)(F)F 527a_100015525214_100000210220 [0,2,0,0,0,0|2,0,0]=4 3959 B8R0.14 CNCC(=O)C(C)(C)C 34a_100102657272_100000229897 [0,2,0,0,0,0|2,0,0]=4 3960 B8R0.14 CNCC(=O)C(C)(C)C 7a_106832991635_100000210923 [0,2,0,0,0,0|2,0,0]=4 3961 B8R0.14 CNNC(=O)C(C)(C)C 22a_100016993582_106744555173 [0,2,0,0,0,0|2,0,0]=4 3962 B8R0.14 CNNC(=O)C(C)(C)F 22a_100016993582_100000765255 [0,2,0,0,0,0|2,0,0]=4 3963 B8R0.14 CNNC(=O)C(C)(C)O 22a_100016993582_100000242741 [0,2,0,0,0,0|2,0,0]=4 3964 B8R0.14 CNNC(=O)C(C)(F)F 22a_100016993582_100000042251 [0,2,0,0,0,0|2,0,0]=4 3965 B8R0.14 COCC(=O)C(C)(C)C 34a_100138415774_100000229897 [0,2,0,0,0,0|2,0,0]=4 3966 B8R0.14 COCC(=O)C(C)(C)C 34a_200011592769_200000210301 [0,2,0,0,0,0|2,0,0]=4 3967 B8R0.14 COCC(=O)C(C)(C)C 7a_200011592769_200000210301 [0,2,0,0,0,0|2,0,0]=4 3968 B8R0.14 CSCC(=O)C(C)(C)C 62a_100000210923_200000210301 [0,2,0,0,0,0|2,0,0]=4 3969 B8R0.14 CSCC(=O)C(C)(C)C 62a_200000210301_100000210923 [0,2,0,0,0,0|2,0,0]=4 3970 B8R0.14 [2H]C([2H])([2H])C(=O)NCC 11a_100015525214_200015216371 [0,2,0,0,0,0|2,0,0]=4 3971 B8R0.14 [2H]C([2H])([2H])C(=O)NCC 240690a_100015525214_200015216371 [0,2,0,0,0,0|2,0,0]=4 3972 B8R0.14 [2H]C([2H])([2H])C(=O)NCC 527a_100015525214_200015216371 [0,2,0,0,0,0|2,0,0]=4 3973 B8R0.15 C#CC(OCC)C(C)C 34a_100011217124_100000210202 [0,2,0,0,0,0|1,0,1]=4 3974 B8R0.15 C#CC(OCC)C(C)C 7a_100011217124_100000210202 [0,2,0,0,0,0|1,0,1]=4 3975 B8R0.15 C=CC(OCC)C(C)C 34a_100000732651_100000210202 [0,2,0,0,0,0|1,0,1]=4 3976 B8R0.15 C=CC(OCC)C(C)C 7a_100000732651_100000210202 [0,2,0,0,0,0|1,0,1]=4 3977 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,2,0,0,0,0|1,0,1]=4 3978 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,2,0,0,0,0|1,0,1]=4 3979 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,2,0,0,0,0|1,0,1]=4 3980 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 3981 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 3982 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 3983 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,2,0,0,0,0|2,0,0]=4 3984 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,2,0,0,0,0|1,0,1]=4 3985 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,2,0,0,0,0|1,0,1]=4 3986 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,2,0,0,0,0|1,0,1]=4 3987 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,2,0,0,0,0|1,0,1]=4 3988 B8R0.15 CCOC(C#N)C(C)C 34a_100000748901_100000210202 [0,2,0,0,0,0|1,0,1]=4 3989 B8R0.15 CCOC(C#N)C(C)C 7a_100000748901_100000210202 [0,2,0,0,0,0|1,0,1]=4 3990 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,2,0,0,0,0|0,0,1]=3 3991 B8R0.15 CCOC(CC)C(C)C 34a_100011218073_100000210202 [0,2,0,0,0,0|1,0,1]=4 3992 B8R0.15 CCOC(CC)C(C)C 7a_100011218073_100000210202 [0,2,0,0,0,0|1,0,1]=4 3993 B8R0.15 CCOC(CN)C(C)C 34a_100000759067_100000210202 [0,2,0,0,0,0|1,0,1]=4 3994 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,2,0,0,0,0|0,1,1]=4 3995 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,2,0,0,0,0|0,1,1]=4 3996 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [0,2,0,0,0,0|1,0,1]=4 3997 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [0,2,0,0,0,0|1,0,1]=4 3998 B8R0.22 C#CCC(CC)OCC 34a_200011217983_100000210202 [0,2,0,0,0,0|1,0,1]=4 3999 B8R0.22 C#CCC(CC)OCC 7a_200011217983_100000210202 [0,2,0,0,0,0|1,0,1]=4 4000 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [0,2,0,0,0,0|1,0,1]=4 4001 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [0,2,0,0,0,0|1,0,1]=4 4002 B8R0.22 CC#CC(CC)OCC 34a_200011219922_100000210202 [0,2,0,0,0,0|1,0,1]=4 4003 B8R0.22 CC#CC(CC)OCC 7a_200011219922_100000210202 [0,2,0,0,0,0|1,0,1]=4 4004 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [0,2,0,0,0,0|1,0,1]=4 4005 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [0,2,0,0,0,0|1,0,1]=4 4006 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,2,0,0,0,0|1,0,1]=4 4007 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,2,0,0,0,0|1,0,1]=4 4008 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [0,2,0,0,0,0|2,0,0]=4 4009 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [0,2,0,0,0,0|2,0,0]=4 4010 B8R0.22 CCOC(CC)CNC 2230a_100015183923_200000210301 [0,2,0,0,0,0|1,0,1]=4 4011 B8R0.22 CCOC(CC)CNC 34a_100015183923_200000210301 [0,2,0,0,0,0|1,0,1]=4 4012 B8R0.22 CCOC(CC)CN[13CH3] 2230a_100015183923_200025704644 [0,2,0,0,0,0|1,0,1]=4 4013 B8R0.22 CCOC(CC)CN[13CH3] 34a_100015183923_200025704644 [0,2,0,0,0,0|1,0,1]=4 4014 B8R0.22 CCOC(CC)COC 7a_200011214946_100000210202 [0,2,0,0,0,0|0,0,2]=4 4015 B8R0.22 CCOC(CCl)COC 34a_100011215053_100000210202 [0,2,0,0,0,0|1,0,1]=4 4016 B8R0.22 CCOC(CN)COC 34a_100000756049_100000210202 [0,2,0,0,0,0|1,0,1]=4 4017 B8R0.30 CCCC(C)(C)OCC 7a_100000748436_100000210202 [0,2,0,0,0,0|1,0,1]=4 4018 B8R0.30 CCCS(=O)(=O)NCC 270084a_100015525214_100000211391 [0,2,0,0,0,0|2,0,0]=4 4019 B8R0.30 CCCS(=O)(=O)NCC 274078a_100015525214_100000211391 [0,2,0,0,0,0|2,0,0]=4 4020 B8R0.30 CCCS(=O)(=O)NCC 40a_100015525214_100000054278 [0,2,0,0,0,0|2,0,0]=4 4021 B8R0.30 CCNS(=O)(=O)CCBr 270084a_100015525214_100000731045 [0,2,0,0,0,0|2,0,0]=4 4022 B8R0.30 CCNS(=O)(=O)CCBr 274078a_100015525214_100000731045 [0,2,0,0,0,0|2,0,0]=4 4023 B8R0.30 CCNS(=O)(=O)CCCl 270084a_100015525214_100000184613 [0,2,0,0,0,0|2,0,0]=4 4024 B8R0.30 CCNS(=O)(=O)CCCl 274078a_100015525214_100000184613 [0,2,0,0,0,0|2,0,0]=4 4025 B8R0.30 CCOC(C)(C)CCBr 7a_100000702414_100000210202 [0,2,0,0,0,0|1,0,1]=4 4026 B8R0.30 CCO[Si](C)(C)CSC 62a_200000065227_200000210301 [0,2,0,0,0,0|1,1,0]=4 4027 B8R0.30 CCO[Si](C)(C)CSC 62a_200000210301_200000065227 [0,2,0,0,0,0|1,1,0]=4 4028 B8R0.30 CCO[Si](C)(C)CS[13CH3] 62a_200000065227_200025704644 [0,2,0,0,0,0|1,1,0]=4 4029 B8R0.30 CCO[Si](C)(C)CS[13CH3] 62a_200025704644_200000065227 [0,2,0,0,0,0|1,1,0]=4 4030 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [0,2,0,0,0,0|1,0,0]=3 4031 B8R0.13 CCC(=O)C(C)(C)CF 1458a_100000138116_100000210202 [0,2,0,0,0,0|2,0,0]=4 4032 B8R0.13 CCC(=O)C(C)(C)CO 1458a_100000749806_100000210202 [0,2,0,0,0,0|2,0,0]=4 4033 B8R0.13 CCC(=O)C(C)(C)OC 1458a_100000753492_100000210202 [0,2,0,0,0,0|2,0,0]=4 4034 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [0,2,0,0,0,0|1,0,0]=3 4035 B8R0.13 CCC(=O)C(F)(F)CC 1458a_100000061896_100000210202 [0,2,0,0,0,0|1,0,0]=3 4036 B8R0.13 CCC(C)(C)C(=O)CF 1458a_100000749717_100015361967 [0,2,0,0,0,0|2,0,0]=4 4037 B8R0.13 CCC(C)(C)C(=O)NC 11a_106832991635_100000749717 [0,2,0,0,0,0|2,0,0]=4 4038 B8R0.13 CCC(C)(C)C(=O)NC 1626a_100102657272_100000749717 [0,2,0,0,0,0|2,0,0]=4 4039 B8R0.13 CCC(C)(C)C(=O)NC 240690a_100102657272_100000749717 [0,2,0,0,0,0|2,0,0]=4 4040 B8R0.13 CCC(C)(C)C(=O)NC 527a_100102657272_100000749717 [0,2,0,0,0,0|2,0,0]=4 4041 B8R0.13 CCC(C)(O)C(=O)CF 1458a_100011219770_100015361967 [0,2,0,0,0,0|2,0,0]=4 4042 B8R0.13 CCC(C)(O)C(=O)NC 240690a_100102657272_100011219770 [0,2,0,0,0,0|2,0,0]=4 4043 B8R0.13 CCC(F)(F)C(=O)CF 1458a_100000061896_100015361967 [0,2,0,0,0,0|2,0,0]=4 4044 B8R0.13 CCC(F)(F)C(=O)NC 11a_106832991635_100000061896 [0,2,0,0,0,0|2,0,0]=4 4045 B8R0.13 CCC(F)(F)C(=O)NC 1626a_100102657272_100000061896 [0,2,0,0,0,0|2,0,0]=4 4046 B8R0.13 CCC(F)(F)C(=O)NC 240690a_100102657272_100000061896 [0,2,0,0,0,0|2,0,0]=4 4047 B8R0.13 CCC(F)(F)C(=O)NC 527a_100102657272_100000061896 [0,2,0,0,0,0|2,0,0]=4 4048 B8R0.13 CCN(C)S(=O)(=O)CC 270084a_100000225621_100000211323 [0,2,0,0,0,0|2,0,0]=4 4049 B8R0.13 CCN(C)S(=O)(=O)CC 274078a_100000225621_100000211323 [0,2,0,0,0,0|2,0,0]=4 4050 B8R0.13 CCN(C)S(=O)(=O)CC 40a_100000225621_100000053943 [0,2,0,0,0,0|2,0,0]=4 4051 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,2,0,0,0,0|1,0,0]=3 4052 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,2,0,0,0,0|1,0,0]=3 4053 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,2,0,0,0,0|1,0,0]=3 4054 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,2,0,0,0,0|1,0,0]=3 4055 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,2,0,0,0,0|1,0,0]=3 4056 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,2,0,0,0,0|1,0,0]=3 4057 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,2,0,0,0,0|1,0,0]=3 4058 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [0,2,0,0,0,0|2,0,0]=4 4059 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [0,2,0,0,0,0|1,0,0]=3 4060 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [0,2,0,0,0,0|1,0,0]=3 4061 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [0,2,0,0,0,0|1,0,0]=3 4062 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [0,2,0,0,0,0|1,0,0]=3 4063 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [0,2,0,0,0,0|2,0,0]=4 4064 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,2,0,0,0,0|2,0,0]=4 4065 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [0,2,0,0,0,0|2,0,0]=4 4066 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [0,2,0,0,0,0|2,0,0]=4 4067 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [0,2,0,0,0,0|2,0,0]=4 4068 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [0,2,0,0,0,0|2,0,0]=4 4069 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,2,0,0,0,0|2,0,0]=4 4070 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,2,0,0,0,0|2,0,0]=4 4071 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,2,0,0,0,0|2,0,0]=4 4072 B8R0.20 CCC(OC)C(=O)CF 1458a_100000747056_100015361967 [0,2,0,0,0,0|2,0,0]=4 4073 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [0,2,0,0,0,0|2,0,0]=4 4074 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [0,2,0,0,0,0|2,0,0]=4 4075 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [0,2,0,0,0,0|2,0,0]=4 4076 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [0,2,0,0,0,0|2,0,0]=4 4077 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,2,0,0,0,0|2,0,0]=4 4078 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,2,0,0,0,0|2,0,0]=4 4079 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,2,0,0,0,0|2,0,0]=4 4080 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,2,0,0,0,0|2,0,0]=4 4081 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,2,0,0,0,0|2,0,0]=4 4082 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,2,0,0,0,0|2,0,0]=4 4083 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,2,0,0,0,0|2,0,0]=4 4084 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,2,0,0,0,0|2,0,0]=4 4085 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,2,0,0,0,0|2,0,0]=4 4086 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [0,2,0,0,0,0|2,0,0]=4 4087 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [0,2,0,0,0,0|2,0,0]=4 4088 B8R0.20 CCN(CC)C(=O)NC 2708a_100102657272_100000724800 [0,2,0,0,0,0|2,0,0]=4 4089 B8R0.20 CCN(CC)C(=O)NC 273464a_100102657272_100000724800 [0,2,0,0,0,0|2,0,0]=4 4090 B8R0.20 CC[C@H](NC)C(=O)NC 2230a_106657271573_200000210301 [0,2,0,0,0,0|2,0,0]=4 4091 B8R0.20 CC[C@H](NC)C(=O)NC 34a_106657271573_200000210301 [0,2,0,0,0,0|2,0,0]=4 4092 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 2230a_106657271573_200025704644 [0,2,0,0,0,0|2,0,0]=4 4093 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 34a_106657271573_200025704644 [0,2,0,0,0,0|2,0,0]=4 4094 B8R0.31 C#CC(C)(CC)OCC 34a_100000686493_100000210202 [0,2,0,0,0,0|1,0,1]=4 4095 B8R0.31 C#CC(C)(CC)OCC 7a_100000686493_100000210202 [0,2,0,0,0,0|1,0,1]=4 4096 B8R0.31 CCOC(C)(C#N)CC 7a_100000760259_100000210202 [0,2,0,0,0,0|1,0,1]=4 4097 B8R0.31 CCOC(C)(CC)CC 7a_100000755174_100000210202 [0,2,0,0,0,0|1,0,1]=4 4098 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [1,0,0,1,0,0|1,0,1]=4 4099 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|1,0,0]=3 4100 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|2,0,0]=4 4101 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|1,0,0]=3 4102 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|2,0,0]=4 4103 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [1,0,0,1,0,0|1,0,1]=4 4104 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [1,0,0,1,0,0|1,0,1]=4 4105 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [1,0,0,1,0,0|1,0,1]=4 4106 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,1,0,1,0,0|2,0,0]=4 4107 B8R1.1 CCc1nc(no1)C 270196a_100000212224_100000210414 [0,1,0,1,0,0|1,0,1]=4 4108 B8R1.1 CCc1noc(n1)C 270196a_200000212204_100000070787 [0,1,0,1,0,0|1,0,1]=4 4109 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,1,0,1,0,0|2,0,0]=4 4110 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,1,0,0|1,0,0]=3 4111 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,1,0,0|1,0,0]=3 4112 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,1,0,1,0,0|2,0,0]=4 4113 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,1,0,0|1,0,0]=3 4114 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,1,0,0|1,0,0]=3 4115 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,1,0,1,0,0|2,0,0]=4 4116 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,1,0,0|1,0,0]=3 4117 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,1,0,1,0,0|2,0,0]=4 4118 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,1,0,0|1,0,0]=3 4119 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,1,0,1,0,0|2,0,0]=4 4120 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,1,0,1,0,0|2,0,0]=4 4121 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,1,0,1,0,0|2,0,0]=4 4122 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,1,0,1,0,0|2,0,0]=4 4123 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,1,0,1,0,0|2,0,0]=4 4124 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,1,0,1,0,0|2,0,0]=4 4125 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,1,0,1,0,0|1,0,1]=4 4126 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,1,0,1,0,0|1,0,1]=4 4127 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,1,0,1,0,0|1,0,1]=4 4128 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,1,0,1,0,0|1,0,1]=4 4129 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,1,0,1,0,0|1,0,1]=4 4130 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,1,0,1,0,0|1,0,1]=4 4131 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,1,0,1,0,0|1,0,0]=3 4132 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,1,0,1,0,0|0,0,0]=2 4133 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,1,0,1,0,0|0,0,2]=4 4134 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,1,0,1,0,0|0,0,2]=4 4135 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,1,0,1,0,0|1,0,0]=3 4136 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,1,0,1,0,0|0,0,0]=2 4137 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,1,0,1,0,0|0,0,2]=4 4138 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,1,0,1,0,0|0,0,2]=4 4139 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,1,0,1,0,0|1,0,1]=4 4140 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,1,0,1,0,0|2,0,0]=4 4141 B8R1.34 CC(C)OC1CCC1 34a_100000212225_100000749161 [0,1,0,1,0,0|1,0,1]=4 4142 B8R1.34 CC(C)OC1CCC1 34a_100000748187_100000210206 [0,1,0,1,0,0|1,0,1]=4 4143 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,1,0,1,0,0|1,0,0]=3 4144 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,1,0,1,0,0|1,0,0]=3 4145 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,1,0,1,0,0|1,0,0]=3 4146 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,1,0,1,0,0|1,0,0]=3 4147 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,1,0,1,0,0|1,0,0]=3 4148 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,1,0,1,0,0|1,0,0]=3 4149 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,1,0,1,0,0|1,0,0]=3 4150 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,1,0,1,0,0|1,0,0]=3 4151 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [0,1,0,1,0,0|2,0,0]=4 4152 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [0,1,0,1,0,0|2,0,0]=4 4153 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [0,1,0,1,0,0|2,0,0]=4 4154 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [0,1,0,1,0,0|2,0,0]=4 4155 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [0,1,0,1,0,0|2,0,0]=4 4156 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [0,1,0,1,0,0|2,0,0]=4 4157 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [0,1,0,1,0,0|2,0,0]=4 4158 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [0,1,0,1,0,0|2,0,0]=4 4159 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [0,1,0,1,0,0|2,0,0]=4 4160 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,1,0,1,0,0|2,0,0]=4 4161 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,1,0,1,0,0|2,0,0]=4 4162 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [0,1,0,1,0,0|2,0,0]=4 4163 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [0,1,0,1,0,0|2,0,0]=4 4164 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [0,1,0,1,0,0|2,0,0]=4 4165 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,1,0,1,0,0|2,0,0]=4 4166 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,1,0,1,0,0|2,0,0]=4 4167 B8R1.42 CC(C)OC1(CC1)C 7a_100011725673_100000210206 [0,1,0,1,0,0|1,0,1]=4 4168 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,1,0,1,0,0|2,0,0]=4 4169 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,1,0,1,0,0|1,0,0]=3 4170 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,1,0,1,0,0|1,0,0]=3 4171 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [0,1,0,1,0,0|2,0,0]=4 4172 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [0,1,0,1,0,0|2,0,0]=4 4173 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [0,1,0,1,0,0|2,0,0]=4 4174 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [0,1,0,1,0,0|2,0,0]=4 4175 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [0,1,0,1,0,0|2,0,0]=4 4176 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [0,1,0,1,0,0|2,0,0]=4 4177 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [0,1,0,1,0,0|2,0,0]=4 4178 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [0,1,0,1,0,0|2,0,0]=4 4179 B8R1.83 O=C(CF)[C@@H]1C[C@@H]1F 1458a_100015396687_100015361967 [0,1,0,1,0,0|2,0,0]=4 4180 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [0,1,0,1,0,0|2,0,0]=4 4181 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [0,1,0,1,0,0|2,0,0]=4 4182 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [0,1,0,1,0,0|2,0,0]=4 4183 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,1,0,1,0,0|0,0,2]=4 4184 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,1,0,1,0,0|0,0,2]=4 4185 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,1,0,1,0,0|2,0,0]=4 4186 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,1,0,1,0,0|2,0,0]=4 4187 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,1,0,1,0,0|2,0,0]=4 4188 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,1,0,1,0,0|2,0,0]=4 4189 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,1,0,1,0,0|2,0,0]=4 4190 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,1,0,1,0,0|2,0,0]=4 4191 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,1,0,1,0,0|2,0,0]=4 4192 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,1,0,1,0,0|2,0,0]=4 4193 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,1,0,1,0,0|2,0,0]=4 4194 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,1,0,1,0,0|2,0,0]=4 4195 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,1,0,1,0,0|2,0,0]=4 4196 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,1,0,1,0,0|2,0,0]=4 4197 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,1,0,1,0,0|2,0,0]=4 4198 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,1,0,1,0,0|2,0,0]=4 4199 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,1,0,1,0,0|2,0,0]=4 4200 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,1,0,1,0,0|2,0,0]=4 4201 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [0,1,0,1,0,0|1,0,1]=4 4202 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [0,1,0,1,0,0|1,0,1]=4 4203 B8R1.10 BrCCOC1CCC1 34a_100000211926_100000749161 [0,1,0,1,0,0|1,0,1]=4 4204 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [0,1,0,1,0,0|1,0,1]=4 4205 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [0,1,0,1,0,0|1,0,1]=4 4206 B8R1.10 CCNN=C1CCC1 4a_100000756455_100000241760 [0,1,0,1,0,0|2,0,0]=4 4207 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [0,1,0,1,0,0|1,0,1]=4 4208 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [0,1,0,1,0,0|1,0,1]=4 4209 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [0,1,0,1,0,0|0,0,2]=4 4210 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [0,1,0,1,0,0|0,0,2]=4 4211 B8R1.10 CCOCN1CCC1 269982a_100000754969_100000739092 [0,1,0,1,0,0|2,0,0]=4 4212 B8R1.10 CSCOC1CCC1 34a_100000748187_100011218213 [0,1,0,1,0,0|1,0,1]=4 4213 B8R1.10 FCCOC1CCC1 34a_100000748187_100011217306 [0,1,0,1,0,0|1,0,1]=4 4214 B8R1.10 NCCOC1CCC1 34a_100000210304_100000749161 [0,1,0,1,0,0|1,0,1]=4 4215 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [0,1,0,1,0,0|1,0,1]=4 4216 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|0,0,0]=2 4217 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,1,0,0|0,1,0]=3 4218 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,1,0,0|0,1,0]=3 4219 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,1,0,1,0,0|1,1,0]=4 4220 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,1,0,1,0,0|1,1,0]=4 4221 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,1,0,0|1,0,0]=3 4222 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,1,0,0|1,0,0]=3 4223 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,1,0,0|0,0,0]=2 4224 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,1,0,1,0,0|1,0,0]=3 4225 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,1,0,1,0,0|1,0,0]=3 4226 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,1,0,1,0,0|1,0,0]=3 4227 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,1,0,1,0,0|1,0,0]=3 4228 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,1,0,1,0,0|1,0,0]=3 4229 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,1,0,1,0,0|2,0,0]=4 4230 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,1,0,1,0,0|2,0,0]=4 4231 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,1,0,1,0,0|2,0,0]=4 4232 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,1,0,1,0,0|2,0,0]=4 4233 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,1,0,1,0,0|1,0,0]=3 4234 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,1,0,1,0,0|1,0,0]=3 4235 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,1,0,1,0,0|1,0,0]=3 4236 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,1,0,1,0,0|1,0,0]=3 4237 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,1,0,1,0,0|2,0,0]=4 4238 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 4239 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 4240 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 4241 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,1,0,1,0,0|2,0,0]=4 4242 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,1,0,1,0,0|2,0,0]=4 4243 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,1,0,1,0,0|2,0,0]=4 4244 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,1,0,1,0,0|1,0,0]=3 4245 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [0,1,0,1,0,0|2,0,0]=4 4246 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,1,0,0|2,0,0]=4 4247 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,1,0,1,0,0|2,0,0]=4 4248 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,1,0,0|2,0,0]=4 4249 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,1,0,0|2,0,0]=4 4250 B8R1.41 CC1(CC1)OCCF 7a_100011725673_100011217306 [0,1,0,1,0,0|1,0,1]=4 4251 B8R1.41 CC1(CC1)OCCO 7a_100011725673_100000211926 [0,1,0,1,0,0|1,0,1]=4 4252 B8R1.41 CCCOC1(CC1)C 7a_100011725673_100000210303 [0,1,0,1,0,0|1,0,1]=4 4253 B8R1.41 CCOCC1(CC1)C 7a_100000698024_100000210202 [0,1,0,1,0,0|1,0,1]=4 4254 B8R1.41 CCOCC1(CC1)F 34a_200000703853_100000210202 [0,1,0,1,0,0|1,0,1]=4 4255 B8R1.41 CCOCC1(CC1)F 7a_200000703853_100000210202 [0,1,0,1,0,0|1,0,1]=4 4256 B8R1.37 C#CCC(=O)C1CC1 1458a_100000210395_100000184674 [0,1,0,1,0,0|1,0,1]=4 4257 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [0,1,0,1,0,0|1,0,1]=4 4258 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,1,0,1,0,0|1,0,0]=3 4259 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,1,0,1,0,0|1,0,0]=3 4260 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [0,1,0,1,0,0|1,0,0]=3 4261 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [0,1,0,1,0,0|1,0,0]=3 4262 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [0,1,0,1,0,0|1,0,0]=3 4263 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,1,0,1,0,0|1,0,0]=3 4264 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,1,0,1,0,0|1,0,0]=3 4265 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,1,0,1,0,0|1,0,0]=3 4266 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [0,1,0,1,0,0|1,0,1]=4 4267 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [0,1,0,1,0,0|1,0,1]=4 4268 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [0,1,0,1,0,0|1,0,0]=3 4269 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [0,1,0,1,0,0|1,0,0]=3 4270 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [0,1,0,1,0,0|1,0,0]=3 4271 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [0,1,0,1,0,0|2,0,0]=4 4272 B8R1.37 CNNC(=O)C1CO1 22a_100016993582_100000701028 [0,1,0,1,0,0|2,0,0]=4 4273 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [0,1,0,1,0,0|1,0,0]=3 4274 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [0,1,0,1,0,0|1,0,0]=3 4275 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [0,1,0,1,0,0|1,0,0]=3 4276 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [0,1,0,1,0,0|1,0,0]=3 4277 B8R1.37 N#CCC(=O)C1CC1 1458a_100000210395_100011214920 [0,1,0,1,0,0|1,0,1]=4 4278 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [0,1,0,1,0,0|1,0,0]=3 4279 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [0,1,0,1,0,0|2,0,0]=4 4280 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [0,1,0,1,0,0|1,0,0]=3 4281 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [0,1,0,1,0,0|2,0,0]=4 4282 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [0,1,0,1,0,0|1,0,0]=3 4283 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [0,1,0,1,0,0|1,0,0]=3 4284 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [0,1,0,1,0,0|1,0,0]=3 4285 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [0,1,0,1,0,0|1,0,0]=3 4286 B8R1.54 CC(C)C(=O)C1CO1 1458a_100000701028_100000210206 [0,1,0,1,0,0|2,0,0]=4 4287 B8R1.54 CN(C)C(=O)C1CC1 11a_100102631434_100000210395 [0,1,0,1,0,0|2,0,0]=4 4288 B8R1.54 CN(C)C(=O)C1CC1 1626a_100102631434_100000210395 [0,1,0,1,0,0|2,0,0]=4 4289 B8R1.54 CN(C)C(=O)C1CC1 240690a_100102631434_100000210395 [0,1,0,1,0,0|2,0,0]=4 4290 B8R1.54 CN(C)C(=O)C1CC1 527a_100102631434_100000210395 [0,1,0,1,0,0|2,0,0]=4 4291 B8R1.6 CCOC1CN(C1)C 269982a_100000732654_200000210301 [0,1,0,1,0,0|1,0,1]=4 4292 B8R1.6 CCOC1CN(C1)C 34a_100000732654_200000210301 [0,1,0,1,0,0|1,0,1]=4 4293 B8R1.6 CCOC1CN(C1)[13CH3] 269982a_100000732654_200025704644 [0,1,0,1,0,0|1,0,1]=4 4294 B8R1.6 CCOC1CN(C1)[13CH3] 34a_100000732654_200025704644 [0,1,0,1,0,0|1,0,1]=4 4295 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,1,0,1,0,0|1,0,1]=4 4296 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,1,0,1,0,0|1,0,1]=4 4297 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,1,0,1,0,0|1,0,1]=4 4298 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [0,1,0,1,0,0|0,0,2]=4 4299 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [0,1,0,1,0,0|0,0,2]=4 4300 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [0,1,0,1,0,0|0,1,1]=4 4301 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [0,1,0,1,0,0|0,0,2]=4 4302 B8R1.8 CNCC1=NCCN1 34a_100102657272_100000737910 [0,1,0,1,0,0|2,0,0]=4 4303 B8R1.8 CNCC1=NCCN1 7a_106832991635_100000737910 [0,1,0,1,0,0|2,0,0]=4 4304 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [0,1,0,1,0,0|1,0,1]=4 4305 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [0,1,0,1,0,0|1,0,1]=4 4306 B8R1.8 CNCC1OCCO1 2230a_100000036311_200000210301 [0,1,0,1,0,0|0,0,2]=4 4307 B8R1.8 CNCC1OCCO1 2230a_106832991635_100000755774 [0,1,0,1,0,0|0,0,2]=4 4308 B8R1.8 CNCC1OCCO1 34a_100000036311_200000210301 [0,1,0,1,0,0|0,0,2]=4 4309 B8R1.8 CNCC1OCCO1 34a_100102657272_100000755774 [0,1,0,1,0,0|0,0,2]=4 4310 B8R1.8 CNCC1OCCO1 7a_106832991635_100000755774 [0,1,0,1,0,0|0,0,2]=4 4311 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [0,1,0,1,0,0|1,0,1]=4 4312 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [0,1,0,1,0,0|1,0,1]=4 4313 B8R1.8 COCC1=NCCN1 34a_100138415774_100000737910 [0,1,0,1,0,0|2,0,0]=4 4314 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [0,1,0,1,0,0|1,0,1]=4 4315 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [0,1,0,1,0,0|1,0,1]=4 4316 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [0,1,0,1,0,0|0,0,2]=4 4317 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [0,1,0,1,0,0|0,0,2]=4 4318 B8R1.8 CSCC1=NCCN1 62a_100000737910_200000210301 [0,1,0,1,0,0|2,0,0]=4 4319 B8R1.8 CSCC1=NCCN1 62a_200000210301_100000737910 [0,1,0,1,0,0|2,0,0]=4 4320 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,1,0,1,0,0|1,0,1]=4 4321 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,1,0,1,0,0|1,0,1]=4 4322 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [0,1,0,1,0,0|0,0,2]=4 4323 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [0,1,0,1,0,0|0,0,2]=4 4324 B8R1.8 [13CH3]NCC1OCCO1 2230a_100000036311_200025704644 [0,1,0,1,0,0|0,0,2]=4 4325 B8R1.8 [13CH3]NCC1OCCO1 34a_100000036311_200025704644 [0,1,0,1,0,0|0,0,2]=4 4326 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [0,1,0,1,0,0|1,0,1]=4 4327 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [0,1,0,1,0,0|1,0,1]=4 4328 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [0,1,0,1,0,0|1,0,1]=4 4329 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [0,1,0,1,0,0|1,0,1]=4 4330 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [0,1,0,1,0,0|0,0,2]=4 4331 B8R1.8 [13CH3]SCC1=NCCN1 62a_100000737910_200025704644 [0,1,0,1,0,0|2,0,0]=4 4332 B8R1.8 [13CH3]SCC1=NCCN1 62a_200025704644_100000737910 [0,1,0,1,0,0|2,0,0]=4 4333 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,1,0,1,0,0|1,0,1]=4 4334 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,1,0,1,0,0|1,0,1]=4 4335 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [0,1,0,1,0,0|0,0,2]=4 4336 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [0,1,0,1,0,0|0,0,2]=4 4337 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,1,0,0|1,0,0]=3 4338 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,1,0,0|1,0,0]=3 4339 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,1,0,0|1,0,0]=3 4340 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,1,0,0|1,0,0]=3 4341 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,1,0,0|1,0,0]=3 4342 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|0,0,0]=2 4343 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|0,0,0]=2 4344 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|0,0,0]=2 4345 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [0,1,0,1,0,0|1,0,1]=4 4346 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,1,0,1,0,0|2,0,0]=4 4347 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,1,0,1,0,0|2,0,0]=4 4348 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|1,0,0]=3 4349 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|1,0,0]=3 4350 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,1,0,0|0,0,0]=2 4351 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,1,0,0|1,0,0]=3 4352 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|1,0,0]=3 4353 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|1,0,0]=3 4354 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,1,0,0|0,0,0]=2 4355 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,1,0,0|0,0,0]=2 4356 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,1,0,0|1,0,0]=3 4357 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,1,0,0|1,0,0]=3 4358 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,1,0,1,0,0|2,0,0]=4 4359 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,1,0,1,0,0|2,0,0]=4 4360 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|1,0,0]=3 4361 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,1,0,0|1,0,0]=3 4362 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|1,0,0]=3 4363 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|1,0,0]=3 4364 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,1,0,0|0,0,0]=2 4365 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,1,0,0|0,0,0]=2 4366 B8R1.66 CCOC1(CCC1)C 34a_100000759064_100000210202 [0,1,0,1,0,0|1,0,1]=4 4367 B8R1.66 CCOC1(CCC1)C 7a_100000759064_100000210202 [0,1,0,1,0,0|1,0,1]=4 4368 B8R1.66 CCOC1(CSC1)C 7a_100016018533_100000210202 [0,1,0,1,0,0|1,0,1]=4 4369 B8R1.39 CC1(CC1)C(=O)CF 1458a_100000756474_100015361967 [0,1,0,1,0,0|2,0,0]=4 4370 B8R1.39 CCC(=O)C1(CC1)C 1458a_100000756474_100000210202 [0,1,0,1,0,0|1,0,0]=3 4371 B8R1.39 CCC(=O)C1(CC1)F 1458a_100000055089_100000210202 [0,1,0,1,0,0|1,0,0]=3 4372 B8R1.39 CCC(=O)C1(CC1)O 1458a_100000241761_100000210202 [0,1,0,1,0,0|1,0,0]=3 4373 B8R1.39 CNC(=O)C1(CC1)C 11a_106832991635_100000756474 [0,1,0,1,0,0|2,0,0]=4 4374 B8R1.39 CNC(=O)C1(CC1)C 1626a_100102657272_100000756474 [0,1,0,1,0,0|2,0,0]=4 4375 B8R1.39 CNC(=O)C1(CC1)C 240690a_100102657272_100000756474 [0,1,0,1,0,0|2,0,0]=4 4376 B8R1.39 CNC(=O)C1(CC1)C 527a_100102657272_100000756474 [0,1,0,1,0,0|2,0,0]=4 4377 B8R1.39 CNC(=O)C1(CC1)F 11a_106832991635_100000055089 [0,1,0,1,0,0|2,0,0]=4 4378 B8R1.39 CNC(=O)C1(CC1)F 1626a_100102657272_100000055089 [0,1,0,1,0,0|2,0,0]=4 4379 B8R1.39 CNC(=O)C1(CC1)F 240690a_100102657272_100000055089 [0,1,0,1,0,0|2,0,0]=4 4380 B8R1.39 CNC(=O)C1(CC1)F 527a_100102657272_100000055089 [0,1,0,1,0,0|2,0,0]=4 4381 B8R1.39 CNC(=O)C1(CC1)O 240690a_100102657272_100000241761 [0,1,0,1,0,0|2,0,0]=4 4382 B8R1.39 O=C(CF)C1(CC1)F 1458a_100000055089_100015361967 [0,1,0,1,0,0|2,0,0]=4 4383 B8R1.39 O=C(CF)C1(CC1)O 1458a_100000241761_100015361967 [0,1,0,1,0,0|2,0,0]=4 4384 B8R1.82 CCOC1(CC1)C#N 34a_100121572206_100009889376 [0,1,0,1,0,0|1,0,1]=4