0 B9R0.19 C#CC(C)(C)C(=O)CCC 1458a_100000079900_100000210303 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.19 C#CC(C)(C)C(=O)CCC 1458a_100000211992_100000038118 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.19 C#CC(C)(C)C(=O)NCC 11a_100015525214_100000079900 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.19 C#CC(C)(C)C(=O)NCC 240690a_100015525214_100000079900 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.19 C#CC(C)(C)C(=O)NCC 527a_100015525214_100000079900 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.19 C#CCC(=O)C(C)(C)CC 1458a_100000749717_100000184674 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.19 C#CCC(=O)C(C)(O)CC 1458a_100011219770_100000184674 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.19 C=CC(C)(C)C(=O)CCC 1458a_100012027013_100000210303 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.19 C=CC(C)(C)C(=O)NCC 11a_100015525214_100012027013 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.19 C=CC(C)(C)C(=O)NCC 240690a_100015525214_100012027013 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.19 C=CC(C)(C)C(=O)NCC 527a_100015525214_100012027013 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.19 C=CCC(=O)C(C)(C)CC 1458a_100000749717_100000210623 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.19 C=CCC(=O)C(C)(O)CC 1458a_100011219770_100000210623 [0,0,0,0,0,0|1,0,2]=3 13 B9R0.19 CC(C)(CF)C(=O)CCF 1458a_100000138116_100011217306 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.19 CC(C)(CF)C(=O)CCO 1458a_100000138116_100000211926 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.19 CC(C)(CO)C(=O)CCF 1458a_100000749806_100011217306 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.19 CC(C)(CO)C(=O)CCO 1458a_100000749806_100000211926 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.19 CCC(C)(C)C(=O)CC#N 1458a_100000749717_100011214920 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.19 CCC(C)(C)C(=O)CCF 1458a_100000749717_100011217306 [0,0,0,0,0,0|3,0,0]=3 19 B9R0.19 CCC(C)(C)C(=O)CCO 1458a_100000749717_100000211926 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.19 CCC(C)(C)C(=O)NNC 22a_100016993582_100000749717 [0,0,0,0,0,0|3,0,0]=3 21 B9R0.19 CCC(C)(O)C(=O)CC#N 1458a_100011219770_100011214920 [0,0,0,0,0,0|2,0,1]=3 22 B9R0.19 CCC(C)(O)C(=O)CCF 1458a_100011219770_100011217306 [0,0,0,0,0,0|2,0,0]=2 23 B9R0.19 CCC(C)(O)C(=O)CCO 1458a_100011219770_100000211926 [0,0,0,0,0,0|2,0,0]=2 24 B9R0.19 CCC(C)(O)C(=O)NNC 22a_100016993582_100011219770 [0,0,0,0,0,0|2,0,0]=2 25 B9R0.19 CCC(F)(F)C(=O)CCF 1458a_100000061896_100011217306 [0,0,0,0,0,0|4,0,0]=4 26 B9R0.19 CCC(F)(F)C(=O)CCO 1458a_100000061896_100000211926 [0,0,0,0,0,0|4,0,0]=4 27 B9R0.19 CCC(F)(F)C(=O)NNC 22a_100016993582_100000061896 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.19 CCCC(=O)C(C)(C)C#N 1458a_100000740761_100000210303 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.19 CCCC(=O)C(C)(C)CC 1458a_100000749717_100000210303 [0,0,0,0,0,0|2,0,0]=2 30 B9R0.19 CCCC(=O)C(C)(C)CF 1458a_100000138116_100000210303 [0,0,0,0,0,0|3,0,0]=3 31 B9R0.19 CCCC(=O)C(C)(C)CO 1458a_100000749806_100000210303 [0,0,0,0,0,0|3,0,0]=3 32 B9R0.19 CCCC(=O)C(C)(C)OC 1458a_100000753492_100000210303 [0,0,0,0,0,0|3,0,0]=3 33 B9R0.19 CCCC(=O)C(C)(O)CC 1458a_100011219770_100000210303 [0,0,0,0,0,0|1,0,0]=1 34 B9R0.19 CCCC(=O)C(F)(F)CC 1458a_100000061896_100000210303 [0,0,0,0,0,0|3,0,0]=3 35 B9R0.19 CCCN(C)C(C)(C)CC 2230a_200000755171_100000210303 [0,0,0,0,0,0|4,0,0]=4 36 B9R0.19 CCCN(C)C(C)(C)CC 269982a_100000747261_100000032637 [0,0,0,0,0,0|4,0,0]=4 37 B9R0.19 CCCN(C)C(C)(C)CC 269982a_200000755171_100000210303 [0,0,0,0,0,0|4,0,0]=4 38 B9R0.19 CCNC(=O)C(C)(C)C#N 11a_100015525214_100000740761 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.19 CCNC(=O)C(C)(C)C#N 240690a_100015525214_100000740761 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.19 CCNC(=O)C(C)(C)C#N 527a_100015525214_100000740761 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.19 CCNC(=O)C(C)(C)CC 11a_100015525214_100000749717 [0,0,0,0,0,0|2,0,0]=2 42 B9R0.19 CCNC(=O)C(C)(C)CC 240690a_100015525214_100000749717 [0,0,0,0,0,0|2,0,0]=2 43 B9R0.19 CCNC(=O)C(C)(C)CC 527a_100015525214_100000749717 [0,0,0,0,0,0|2,0,0]=2 44 B9R0.19 CCNC(=O)C(C)(C)CF 11a_100015525214_100000138116 [0,0,0,0,0,0|3,0,0]=3 45 B9R0.19 CCNC(=O)C(C)(C)CF 240690a_100015525214_100000138116 [0,0,0,0,0,0|3,0,0]=3 46 B9R0.19 CCNC(=O)C(C)(C)CF 527a_100015525214_100000138116 [0,0,0,0,0,0|3,0,0]=3 47 B9R0.19 CCNC(=O)C(C)(C)CO 240690a_100015525214_100000749806 [0,0,0,0,0,0|3,0,0]=3 48 B9R0.19 CCNC(=O)C(C)(C)CO 527a_100015525214_100000749806 [0,0,0,0,0,0|3,0,0]=3 49 B9R0.19 CCNC(=O)C(C)(C)OC 11a_100015525214_100000753492 [0,0,0,0,0,0|3,0,0]=3 50 B9R0.19 CCNC(=O)C(C)(C)OC 240690a_100015525214_100000753492 [0,0,0,0,0,0|3,0,0]=3 51 B9R0.19 CCNC(=O)C(C)(C)OC 527a_100015525214_100000753492 [0,0,0,0,0,0|3,0,0]=3 52 B9R0.19 CCNC(=O)C(C)(O)CC 240690a_100015525214_100011219770 [0,0,0,0,0,0|1,0,0]=1 53 B9R0.19 CCNC(=O)C(F)(F)CC 11a_100015525214_100000061896 [0,0,0,0,0,0|3,0,0]=3 54 B9R0.19 CCNC(=O)C(F)(F)CC 240690a_100015525214_100000061896 [0,0,0,0,0,0|3,0,0]=3 55 B9R0.19 CCNC(=O)C(F)(F)CC 527a_100015525214_100000061896 [0,0,0,0,0,0|3,0,0]=3 56 B9R0.19 CCOC(=O)C(C)(C)NC 2230a_106832991635_100011216345 [0,0,0,0,0,0|2,0,0]=2 57 B9R0.19 CCOC(=O)C(C)(C)NC 7a_106832991635_100011216345 [0,0,0,0,0,0|2,0,0]=2 58 B9R0.19 CCOC(=O)C(C)(C)OC 34a_100000686869_200000210301 [0,0,0,0,0,0|2,0,0]=2 59 B9R0.19 CCOC(=O)C(C)(C)OC 7a_100000686869_200000210301 [0,0,0,0,0,0|2,0,0]=2 60 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 34a_100000686869_200025704644 [0,0,0,0,0,0|2,0,0]=2 61 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 7a_100000686869_200025704644 [0,0,0,0,0,0|2,0,0]=2 62 B9R0.19 CCOC(=O)C(C)(C)SC 62a_100011216345_200000210301 [0,0,0,0,0,0|2,0,0]=2 63 B9R0.19 CCOC(=O)C(C)(C)SC 62a_200000210301_100011216345 [0,0,0,0,0,0|2,0,0]=2 64 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_100011216345_200025704644 [0,0,0,0,0,0|2,0,0]=2 65 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_200025704644_100011216345 [0,0,0,0,0,0|2,0,0]=2 66 B9R0.19 CCOC(=O)C(F)(F)NC 34a_100102657272_100000210910 [0,0,0,0,0,0|3,0,0]=3 67 B9R0.19 CCOC(=O)C(F)(F)NC 7a_106832991635_100000210910 [0,0,0,0,0,0|3,0,0]=3 68 B9R0.19 CCOC(=O)C(F)(F)OC 34a_100138415774_100000210910 [0,0,0,0,0,0|3,0,0]=3 69 B9R0.19 CCOC(=O)C(F)(F)SC 62a_100000210910_200000210301 [0,0,0,0,0,0|3,0,0]=3 70 B9R0.19 CCOC(=O)C(F)(F)SC 62a_200000210301_100000210910 [0,0,0,0,0,0|3,0,0]=3 71 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_100000210910_200025704644 [0,0,0,0,0,0|3,0,0]=3 72 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000210910 [0,0,0,0,0,0|3,0,0]=3 73 B9R0.19 CNNC(=O)C(C)(C)CF 22a_100016993582_100000138116 [0,0,0,0,0,0|4,0,0]=4 74 B9R0.19 CNNC(=O)C(C)(C)CO 22a_100016993582_100000749806 [0,0,0,0,0,0|4,0,0]=4 75 B9R0.19 CNNC(=O)C(C)(C)OC 22a_100016993582_100000753492 [0,0,0,0,0,0|4,0,0]=4 76 B9R0.19 COC(C)(C)C(=O)CCF 1458a_100000753492_100011217306 [0,0,0,0,0,0|4,0,0]=4 77 B9R0.19 COC(C)(C)C(=O)CCO 1458a_100000753492_100000211926 [0,0,0,0,0,0|4,0,0]=4 78 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [1,0,0,0,0,0|1,0,2]=4 79 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011192722_100000184674 [1,0,0,0,0,0|1,0,2]=4 80 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011220946_100000758301 [1,0,0,0,0,0|1,0,2]=4 81 B8R0.3 C#CCC(=O)C(O)CC 1458a_100011196387_100000184674 [1,0,0,0,0,0|1,0,2]=4 82 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,0,0,0,0,0|1,0,2]=4 83 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [1,0,0,0,0,0|1,0,2]=4 84 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [1,0,0,0,0,0|1,0,2]=4 85 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [1,0,0,0,0,0|1,0,2]=4 86 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [1,0,0,0,0,0|1,0,2]=4 87 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [1,0,0,0,0,0|1,0,2]=4 88 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [1,0,0,0,0,0|1,0,2]=4 89 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [1,0,0,0,0,0|1,0,2]=4 90 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [1,0,0,0,0,0|1,0,2]=4 91 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [1,0,0,0,0,0|1,0,1]=3 92 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [1,0,0,0,0,0|1,0,1]=3 93 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [1,0,0,0,0,0|2,0,1]=4 94 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [1,0,0,0,0,0|2,0,1]=4 95 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [1,0,0,0,0,0|2,0,1]=4 96 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [1,0,0,0,0,0|2,0,1]=4 97 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [1,0,0,0,0,0|2,0,1]=4 98 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [1,0,0,0,0,0|2,0,1]=4 99 B8R0.3 CCC(C)C(=O)CC#N 1458a_100011192722_100011214920 [1,0,0,0,0,0|2,0,1]=4 100 B8R0.3 CCC(C)C(=O)CC#N 1458a_100051588842_100000758301 [1,0,0,0,0,0|2,0,1]=4 101 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [1,0,0,0,0,0|2,0,0]=3 102 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [1,0,0,0,0,0|2,0,0]=3 103 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [1,0,0,0,0,0|2,0,0]=3 104 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [1,0,0,0,0,0|2,0,0]=3 105 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [1,0,0,0,0,0|2,0,0]=3 106 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [1,0,0,0,0,0|2,0,0]=3 107 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [1,0,0,0,0,0|2,0,1]=4 108 B8R0.3 CCC(O)C(=O)CC#N 1458a_100011196387_100011214920 [1,0,0,0,0,0|2,0,1]=4 109 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [1,0,0,0,0,0|2,0,0]=3 110 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [1,0,0,0,0,0|2,0,0]=3 111 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [1,0,0,0,0,0|2,0,0]=3 112 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [1,0,0,0,0,0|2,0,1]=4 113 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [1,0,0,0,0,0|2,0,1]=4 114 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [1,0,0,0,0,0|1,0,0]=2 115 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [1,0,0,0,0,0|1,0,0]=2 116 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [1,0,0,0,0,0|2,0,0]=3 117 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [1,0,0,0,0,0|2,0,0]=3 118 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [1,0,0,0,0,0|1,0,0]=2 119 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [1,0,0,0,0,0|2,0,0]=3 120 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 121 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 122 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 123 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 124 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [1,0,0,0,0,0|3,0,0]=4 125 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [1,0,0,0,0,0|3,0,0]=4 126 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [1,0,0,0,0,0|3,0,0]=4 127 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [1,0,0,0,0,0|3,0,0]=4 128 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [1,0,0,0,0,0|3,0,0]=4 129 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [1,0,0,0,0,0|3,0,0]=4 130 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [1,0,0,0,0,0|3,0,0]=4 131 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [1,0,0,0,0,0|3,0,0]=4 132 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [1,0,0,0,0,0|3,0,0]=4 133 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [1,0,0,0,0,0|3,0,0]=4 134 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [1,0,0,0,0,0|3,0,0]=4 135 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [1,0,0,0,0,0|3,0,0]=4 136 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 137 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 138 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 139 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [1,0,0,0,0,0|3,0,0]=4 140 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 141 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 142 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 143 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 144 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 145 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [1,0,0,0,0,0|3,0,0]=4 146 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [1,0,0,0,0,0|3,0,0]=4 147 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [1,0,0,0,0,0|3,0,0]=4 148 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [1,0,0,0,0,0|3,0,0]=4 149 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,0,0,0,0,0|1,0,2]=4 150 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [1,0,0,0,0,0|2,0,1]=4 151 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [1,0,0,0,0,0|2,0,1]=4 152 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [1,0,0,0,0,0|2,0,1]=4 153 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [1,0,0,0,0,0|1,0,0]=2 154 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [1,0,0,0,0,0|1,0,0]=2 155 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [1,0,0,0,0,0|1,0,0]=2 156 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [1,0,0,0,0,0|2,0,0]=3 157 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [1,0,0,0,0,0|2,0,0]=3 158 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [1,0,0,0,0,0|2,0,0]=3 159 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [1,0,0,0,0,0|2,0,0]=3 160 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [1,0,0,0,0,0|2,0,0]=3 161 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [1,0,0,0,0,0|2,0,0]=3 162 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [1,0,0,0,0,0|2,0,0]=3 163 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [1,0,0,0,0,0|2,0,0]=3 164 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [1,0,0,0,0,0|2,0,0]=3 165 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [1,0,0,0,0,0|2,0,0]=3 166 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [1,0,0,0,0,0|2,0,0]=3 167 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [1,0,0,0,0,0|2,0,0]=3 168 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [1,0,0,0,0,0|2,0,0]=3 169 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [1,0,0,0,0,0|2,0,0]=3 170 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [1,0,0,0,0,0|2,0,0]=3 171 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [1,0,0,0,0,0|2,0,0]=3 172 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [1,0,0,0,0,0|2,0,0]=3 173 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [1,0,0,0,0,0|2,0,0]=3 174 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [1,0,0,0,0,0|1,0,0]=2 175 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [1,0,0,0,0,0|2,0,0]=3 176 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [1,0,0,0,0,0|2,0,0]=3 177 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [1,0,0,0,0,0|2,0,0]=3 178 B8R0.3 CCNC(C)C(C)CC 269862a_100015525214_100000210599 [1,0,0,0,0,0|2,0,1]=4 179 B8R0.3 CCNC(C)C(C)CC 270004a_100015525214_100000210599 [1,0,0,0,0,0|2,0,1]=4 180 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [1,0,0,0,0,0|1,0,2]=4 181 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [1,0,0,0,0,0|1,0,2]=4 182 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [1,0,0,0,0,0|1,0,2]=4 183 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [1,0,0,0,0,0|1,0,0]=2 184 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [1,0,0,0,0,0|1,0,0]=2 185 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [1,0,0,0,0,0|1,0,0]=2 186 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [1,0,0,0,0,0|1,0,0]=2 187 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [1,0,0,0,0,0|1,0,0]=2 188 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [1,0,0,0,0,0|1,0,0]=2 189 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [1,0,0,0,0,0|1,0,0]=2 190 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [1,0,0,0,0,0|1,0,0]=2 191 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [1,0,0,0,0,0|2,0,0]=3 192 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [1,0,0,0,0,0|2,0,0]=3 193 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [1,0,0,0,0,0|2,0,0]=3 194 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [1,0,0,0,0,0|2,0,0]=3 195 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [1,0,0,0,0,0|2,0,0]=3 196 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [1,0,0,0,0,0|2,0,0]=3 197 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [1,0,0,0,0,0|2,0,0]=3 198 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [1,0,0,0,0,0|2,0,0]=3 199 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [1,0,0,0,0,0|1,0,0]=2 200 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [1,0,0,0,0,0|1,0,0]=2 201 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [1,0,0,0,0,0|1,0,1]=3 202 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [1,0,0,0,0,0|1,1,0]=3 203 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [1,0,0,0,0,0|1,1,0]=3 204 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [1,0,0,0,0,0|3,0,0]=4 205 B8R0.3 CNNC(=O)C(C)SC 22a_100016993582_100000149566 [1,0,0,0,0,0|3,0,0]=4 206 B8R0.3 CNNC(=O)C(O)CO 22a_100016993582_100011215603 [1,0,0,0,0,0|3,0,0]=4 207 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [1,0,0,0,0,0|3,0,0]=4 208 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [1,0,0,0,0,0|3,0,0]=4 209 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [1,0,0,0,0,0|3,0,0]=4 210 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [1,0,0,0,0,0|3,0,0]=4 211 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [1,0,0,0,0,0|3,0,0]=4 212 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [1,0,0,0,0,0|3,0,0]=4 213 B8R0.13 C#CC(C)(C)C(=O)CC 1458a_100000079900_100000210202 [1,0,0,0,0,0|1,0,2]=4 214 B8R0.13 C#CC(C)(C)C(=O)CC 1458a_100000210414_100000038118 [1,0,0,0,0,0|1,0,2]=4 215 B8R0.13 C=CC(C)(C)C(=O)CC 1458a_100012027013_100000210202 [1,0,0,0,0,0|1,0,2]=4 216 B8R0.13 CC(C)(CF)C(=O)CF 1458a_100000138116_100015361967 [1,0,0,0,0,0|3,0,0]=4 217 B8R0.13 CC(C)(CO)C(=O)CF 1458a_100000749806_100015361967 [1,0,0,0,0,0|3,0,0]=4 218 B8R0.13 CCC(=O)C(C)(C)C#N 1458a_100000740761_100000210202 [1,0,0,0,0,0|2,0,1]=4 219 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [1,0,0,0,0,0|1,0,0]=2 220 B8R0.13 CCC(=O)C(C)(C)CF 1458a_100000138116_100000210202 [1,0,0,0,0,0|2,0,0]=3 221 B8R0.13 CCC(=O)C(C)(C)CO 1458a_100000749806_100000210202 [1,0,0,0,0,0|2,0,0]=3 222 B8R0.13 CCC(=O)C(C)(C)OC 1458a_100000753492_100000210202 [1,0,0,0,0,0|2,0,0]=3 223 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [1,0,0,0,0,0|0,0,0]=1 224 B8R0.13 CCC(=O)C(F)(F)CC 1458a_100000061896_100000210202 [1,0,0,0,0,0|2,0,0]=3 225 B8R0.13 CCC(C)(C)C(=O)CF 1458a_100000749717_100015361967 [1,0,0,0,0,0|2,0,0]=3 226 B8R0.13 CCC(C)(C)C(=O)NC 11a_106832991635_100000749717 [1,0,0,0,0,0|2,0,0]=3 227 B8R0.13 CCC(C)(C)C(=O)NC 1626a_100102657272_100000749717 [1,0,0,0,0,0|2,0,0]=3 228 B8R0.13 CCC(C)(C)C(=O)NC 240690a_100102657272_100000749717 [1,0,0,0,0,0|2,0,0]=3 229 B8R0.13 CCC(C)(C)C(=O)NC 527a_100102657272_100000749717 [1,0,0,0,0,0|2,0,0]=3 230 B8R0.13 CCC(C)(O)C(=O)CF 1458a_100011219770_100015361967 [1,0,0,0,0,0|1,0,0]=2 231 B8R0.13 CCC(C)(O)C(=O)NC 240690a_100102657272_100011219770 [1,0,0,0,0,0|1,0,0]=2 232 B8R0.13 CCC(F)(F)C(=O)CF 1458a_100000061896_100015361967 [1,0,0,0,0,0|3,0,0]=4 233 B8R0.13 CCC(F)(F)C(=O)NC 11a_106832991635_100000061896 [1,0,0,0,0,0|3,0,0]=4 234 B8R0.13 CCC(F)(F)C(=O)NC 1626a_100102657272_100000061896 [1,0,0,0,0,0|3,0,0]=4 235 B8R0.13 CCC(F)(F)C(=O)NC 240690a_100102657272_100000061896 [1,0,0,0,0,0|3,0,0]=4 236 B8R0.13 CCC(F)(F)C(=O)NC 527a_100102657272_100000061896 [1,0,0,0,0,0|3,0,0]=4 237 B8R0.13 CCN(C)C(C)(C)CC 2230a_200000755171_100000210202 [1,0,0,0,0,0|3,0,0]=4 238 B8R0.13 CCN(C)C(C)(C)CC 269982a_100000225621_100000032637 [1,0,0,0,0,0|3,0,0]=4 239 B8R0.13 CCN(C)C(C)(C)CC 269982a_200000755171_100000204670 [1,0,0,0,0,0|3,0,0]=4 240 B8R0.13 CNC(=O)C(C)(C)CF 11a_106832991635_100000138116 [1,0,0,0,0,0|3,0,0]=4 241 B8R0.13 CNC(=O)C(C)(C)CF 1626a_100102657272_100000138116 [1,0,0,0,0,0|3,0,0]=4 242 B8R0.13 CNC(=O)C(C)(C)CF 240690a_100102657272_100000138116 [1,0,0,0,0,0|3,0,0]=4 243 B8R0.13 CNC(=O)C(C)(C)CF 527a_100102657272_100000138116 [1,0,0,0,0,0|3,0,0]=4 244 B8R0.13 CNC(=O)C(C)(C)CO 1626a_100102657272_100000749806 [1,0,0,0,0,0|3,0,0]=4 245 B8R0.13 CNC(=O)C(C)(C)CO 240690a_100102657272_100000749806 [1,0,0,0,0,0|3,0,0]=4 246 B8R0.13 CNC(=O)C(C)(C)CO 527a_100102657272_100000749806 [1,0,0,0,0,0|3,0,0]=4 247 B8R0.13 CNC(=O)C(C)(C)NC 2230a_106832991635_100000732697 [1,0,0,0,0,0|3,0,0]=4 248 B8R0.13 CNC(=O)C(C)(C)NC 34a_100102657272_100000732697 [1,0,0,0,0,0|3,0,0]=4 249 B8R0.13 CNC(=O)C(C)(C)OC 11a_106832991635_100000753492 [1,0,0,0,0,0|3,0,0]=4 250 B8R0.13 CNC(=O)C(C)(C)OC 1626a_100102657272_100000753492 [1,0,0,0,0,0|3,0,0]=4 251 B8R0.13 CNC(=O)C(C)(C)OC 240690a_100102657272_100000753492 [1,0,0,0,0,0|3,0,0]=4 252 B8R0.13 CNC(=O)C(C)(C)OC 34a_100138415774_100000732697 [1,0,0,0,0,0|3,0,0]=4 253 B8R0.13 CNC(=O)C(C)(C)OC 527a_100102657272_100000753492 [1,0,0,0,0,0|3,0,0]=4 254 B8R0.13 CNC(=O)C(C)(C)SC 62a_100000732697_200000210301 [1,0,0,0,0,0|3,0,0]=4 255 B8R0.13 CNC(=O)C(C)(C)SC 62a_200000210301_100000732697 [1,0,0,0,0,0|3,0,0]=4 256 B8R0.13 CNC(=O)C(C)(C)S[13CH3] 62a_100000732697_200025704644 [1,0,0,0,0,0|3,0,0]=4 257 B8R0.13 CNC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000732697 [1,0,0,0,0,0|3,0,0]=4 258 B8R0.13 CNC(C)(C)C(=O)OC 2230a_106832991635_100000689032 [1,0,0,0,0,0|2,0,0]=3 259 B8R0.13 CNC(C)(F)C(=O)OC 2230a_106832991635_200009867631 [1,0,0,0,0,0|2,0,0]=3 260 B8R0.13 CNC(C)(F)C(=O)OC 34a_100102657272_200009867631 [1,0,0,0,0,0|2,0,0]=3 261 B8R0.13 CNC(F)(F)C(=O)OC 34a_100102657272_100000211177 [1,0,0,0,0,0|3,0,0]=4 262 B8R0.13 CNC(F)(F)C(=O)OC 7a_106832991635_100000211177 [1,0,0,0,0,0|3,0,0]=4 263 B8R0.13 COC(=O)C(C)(C)OC 34a_100011217581_200000210301 [1,0,0,0,0,0|2,0,0]=3 264 B8R0.13 COC(=O)C(C)(C)OC 7a_100011217581_200000210301 [1,0,0,0,0,0|2,0,0]=3 265 B8R0.13 COC(=O)C(C)(C)O[13CH3] 34a_100011217581_200025704644 [1,0,0,0,0,0|2,0,0]=3 266 B8R0.13 COC(=O)C(C)(C)O[13CH3] 7a_100011217581_200025704644 [1,0,0,0,0,0|2,0,0]=3 267 B8R0.13 COC(=O)C(C)(C)SC 62a_100000689032_200000210301 [1,0,0,0,0,0|2,0,0]=3 268 B8R0.13 COC(=O)C(C)(C)SC 62a_200000210301_100000689032 [1,0,0,0,0,0|2,0,0]=3 269 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_100000689032_200025704644 [1,0,0,0,0,0|2,0,0]=3 270 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000689032 [1,0,0,0,0,0|2,0,0]=3 271 B8R0.13 COC(=O)C(C)(F)OC 34a_100138415774_200009867631 [1,0,0,0,0,0|2,0,0]=3 272 B8R0.13 COC(=O)C(C)(F)SC 62a_200000210301_200009867631 [1,0,0,0,0,0|2,0,0]=3 273 B8R0.13 COC(=O)C(C)(F)SC 62a_200009867631_200000210301 [1,0,0,0,0,0|2,0,0]=3 274 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200009867631_200025704644 [1,0,0,0,0,0|2,0,0]=3 275 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200025704644_200009867631 [1,0,0,0,0,0|2,0,0]=3 276 B8R0.13 COC(=O)C(F)(F)OC 34a_100138415774_100000211177 [1,0,0,0,0,0|3,0,0]=4 277 B8R0.13 COC(=O)C(F)(F)SC 62a_100000211177_200000210301 [1,0,0,0,0,0|3,0,0]=4 278 B8R0.13 COC(=O)C(F)(F)SC 62a_200000210301_100000211177 [1,0,0,0,0,0|3,0,0]=4 279 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_100000211177_200025704644 [1,0,0,0,0,0|3,0,0]=4 280 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000211177 [1,0,0,0,0,0|3,0,0]=4 281 B8R0.13 COC(C)(C)C(=O)CF 1458a_100000753492_100015361967 [1,0,0,0,0,0|3,0,0]=4 282 B8R0.14 C#CCC(=O)C(C)(C)O 1458a_100000242741_100000184674 [1,0,0,0,0,0|1,0,2]=4 283 B8R0.14 C=CCC(=O)C(C)(C)O 1458a_100000242741_100000210623 [1,0,0,0,0,0|1,0,2]=4 284 B8R0.14 CC(C)(C)C(=O)CCF 1458a_106744555173_100011217306 [1,0,0,0,0,0|3,0,0]=4 285 B8R0.14 CC(C)(C)C(=O)CCO 1458a_106744555173_100000211926 [1,0,0,0,0,0|3,0,0]=4 286 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 34a_200011592769_200025704644 [1,0,0,0,0,0|3,0,0]=4 287 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 7a_200011592769_200025704644 [1,0,0,0,0,0|3,0,0]=4 288 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_100000210923_200025704644 [1,0,0,0,0,0|3,0,0]=4 289 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_200025704644_100000210923 [1,0,0,0,0,0|3,0,0]=4 290 B8R0.14 CC(C)(F)C(=O)CCF 1458a_100000765255_100011217306 [1,0,0,0,0,0|3,0,0]=4 291 B8R0.14 CC(C)(F)C(=O)CCO 1458a_100000765255_100000211926 [1,0,0,0,0,0|3,0,0]=4 292 B8R0.14 CC(C)(O)C(=O)CC#N 1458a_100000242741_100011214920 [1,0,0,0,0,0|2,0,1]=4 293 B8R0.14 CC(C)(O)C(=O)CCF 1458a_100000242741_100011217306 [1,0,0,0,0,0|2,0,0]=3 294 B8R0.14 CC(C)(O)C(=O)CCO 1458a_100000242741_100000211926 [1,0,0,0,0,0|2,0,0]=3 295 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [1,0,0,0,0,0|2,0,0]=3 296 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [1,0,0,0,0,0|2,0,0]=3 297 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [1,0,0,0,0,0|1,0,0]=2 298 B8R0.14 CCNC(=O)C(C)(C)C 11a_100015525214_106744555173 [1,0,0,0,0,0|2,0,0]=3 299 B8R0.14 CCNC(=O)C(C)(C)C 240690a_100015525214_106744555173 [1,0,0,0,0,0|2,0,0]=3 300 B8R0.14 CCNC(=O)C(C)(C)C 527a_100015525214_106744555173 [1,0,0,0,0,0|2,0,0]=3 301 B8R0.14 CCNC(=O)C(C)(C)F 11a_100015525214_100000765255 [1,0,0,0,0,0|2,0,0]=3 302 B8R0.14 CCNC(=O)C(C)(C)F 240690a_100015525214_100000765255 [1,0,0,0,0,0|2,0,0]=3 303 B8R0.14 CCNC(=O)C(C)(C)F 527a_100015525214_100000765255 [1,0,0,0,0,0|2,0,0]=3 304 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [1,0,0,0,0,0|1,0,0]=2 305 B8R0.14 CCNC(=O)C(C)(F)F 11a_100015525214_100000042251 [1,0,0,0,0,0|3,0,0]=4 306 B8R0.14 CCNC(=O)C(C)(F)F 240690a_100015525214_100000042251 [1,0,0,0,0,0|3,0,0]=4 307 B8R0.14 CCNC(=O)C(C)(F)F 527a_100015525214_100000042251 [1,0,0,0,0,0|3,0,0]=4 308 B8R0.14 CCNC(C)C(C)(C)O 269862a_100015525214_100000747739 [1,0,0,0,0,0|2,0,1]=4 309 B8R0.14 CCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210202 [1,0,0,0,0,0|2,0,1]=4 310 B8R0.14 CNCC(=O)C(C)(C)C 34a_100102657272_100000229897 [1,0,0,0,0,0|3,0,0]=4 311 B8R0.14 CNCC(=O)C(C)(C)C 7a_106832991635_100000210923 [1,0,0,0,0,0|3,0,0]=4 312 B8R0.14 CNNC(=O)C(C)(C)C 22a_100016993582_106744555173 [1,0,0,0,0,0|3,0,0]=4 313 B8R0.14 CNNC(=O)C(C)(C)F 22a_100016993582_100000765255 [1,0,0,0,0,0|3,0,0]=4 314 B8R0.14 CNNC(=O)C(C)(C)O 22a_100016993582_100000242741 [1,0,0,0,0,0|2,0,0]=3 315 B8R0.14 COCC(=O)C(C)(C)C 34a_100138415774_100000229897 [1,0,0,0,0,0|3,0,0]=4 316 B8R0.14 COCC(=O)C(C)(C)C 34a_200011592769_200000210301 [1,0,0,0,0,0|3,0,0]=4 317 B8R0.14 COCC(=O)C(C)(C)C 7a_200011592769_200000210301 [1,0,0,0,0,0|3,0,0]=4 318 B8R0.14 CSCC(=O)C(C)(C)C 62a_100000210923_200000210301 [1,0,0,0,0,0|3,0,0]=4 319 B8R0.14 CSCC(=O)C(C)(C)C 62a_200000210301_100000210923 [1,0,0,0,0,0|3,0,0]=4 320 B8R0.25 CCC(C)(C)COCF 7a_100000765029_100015361967 [1,0,0,0,0,0|2,0,1]=4 321 B8R0.25 CCCNC(C)(C)CC 2230a_100000211385_100000210303 [1,0,0,0,0,0|3,0,0]=4 322 B8R0.25 CCCOC(C)(C)CC 7a_100000210230_100000210303 [1,0,0,0,0,0|3,0,0]=4 323 B8R0.25 CCCSC(C)(C)CC 62a_100000032637_100000210303 [1,0,0,0,0,0|3,0,0]=4 324 B8R0.25 CCCSC(C)(C)CC 62a_100000210303_100000032637 [1,0,0,0,0,0|3,0,0]=4 325 B8R0.25 CCOCC(C)(C)CC 7a_100000765029_100000210202 [1,0,0,0,0,0|1,0,1]=3 326 B8R0.25 CCOCC(C)(C)CCl 7a_100011217199_100000210202 [1,0,0,0,0,0|2,0,1]=4 327 B8R0.25 CCOCC(C)(C)CO 34a_100121572206_100009813988 [1,0,0,0,0,0|2,0,1]=4 328 B8R0.25 CCOCC(C)(C)OC 34a_100121572206_100000701081 [1,0,0,0,0,0|2,0,1]=4 329 B10R0.36 CCCC(=O)C(C)(C)N(C)C 1458a_100000688961_100000210303 [0,1,0,0,0,0|3,0,0]=4 330 B10R0.36 CCNC(=O)C(C)(C)N(C)C 240690a_100015525214_100000688961 [0,1,0,0,0,0|3,0,0]=4 331 B10R0.36 CCNC(=O)C(C)(C)N(C)C 527a_100015525214_100000688961 [0,1,0,0,0,0|3,0,0]=4 332 B10R0.36 CCOC(=O)C(C)(C)C(=O)C 1458a_100000694683_200000210301 [0,1,0,0,0,0|1,0,1]=3 333 B10R0.36 CCOC(=O)C(C)(C)C(=O)[13CH3] 1458a_100000694683_200025704644 [0,1,0,0,0,0|1,0,1]=3 334 B10R0.36 CCOC(=O)C(C)(C)N(C)C 2230a_100102631434_100011216345 [0,1,0,0,0,0|2,0,0]=3 335 B10R0.36 CCOC(=O)C(C)(C)N(C)C 269982a_100102631434_100048669870 [0,1,0,0,0,0|2,0,0]=3 336 B10R0.36 CCOC(=O)C(C)(O)C(=O)C 1458a_200009913003_200000210301 [0,1,0,0,0,0|0,0,1]=2 337 B10R0.36 CCOC(=O)C(C)(O)C(=O)[13CH3] 1458a_200009913003_200025704644 [0,1,0,0,0,0|0,0,1]=2 338 B10R0.36 CCOC(=O)C(F)(F)N(C)C 269982a_100102631434_100000210910 [0,1,0,0,0,0|3,0,0]=4 339 B10R0.39 C#CC(C)C(=O)C(C)(O)CC 1458a_100011219770_200000035995 [0,1,0,0,0,0|1,0,2]=4 340 B10R0.39 CCC(C)(O)C(=O)C(C)C#N 1458a_100011219770_100000703298 [0,1,0,0,0,0|2,0,1]=4 341 B10R0.39 CCC(C)C(=O)C(C)(C)CC 1458a_100000749717_100000758301 [0,1,0,0,0,0|2,0,0]=3 342 B10R0.39 CCC(C)C(=O)C(C)(C)CF 1458a_100000138116_100000758301 [0,1,0,0,0,0|3,0,0]=4 343 B10R0.39 CCC(C)C(=O)C(C)(C)CO 1458a_100000749806_100000758301 [0,1,0,0,0,0|3,0,0]=4 344 B10R0.39 CCC(C)C(=O)C(C)(C)OC 1458a_100000753492_100000758301 [0,1,0,0,0,0|3,0,0]=4 345 B10R0.39 CCC(C)C(=O)C(C)(O)CC 1458a_100011219770_100000758301 [0,1,0,0,0,0|1,0,0]=2 346 B10R0.39 CCC(C)C(=O)C(F)(F)CC 1458a_100000061896_100000758301 [0,1,0,0,0,0|3,0,0]=4 347 B10R0.39 CCN(C)C(=O)C(C)(C)CC 11a_100000225621_100000749717 [0,1,0,0,0,0|2,0,0]=3 348 B10R0.39 CCN(C)C(=O)C(C)(C)CC 1626a_100000225621_100000749717 [0,1,0,0,0,0|2,0,0]=3 349 B10R0.39 CCN(C)C(=O)C(C)(C)CC 240690a_100000225621_100000749717 [0,1,0,0,0,0|2,0,0]=3 350 B10R0.39 CCN(C)C(=O)C(C)(C)CC 527a_100000225621_100000749717 [0,1,0,0,0,0|2,0,0]=3 351 B10R0.39 CCN(C)C(=O)C(C)(C)CF 11a_100000225621_100000138116 [0,1,0,0,0,0|3,0,0]=4 352 B10R0.39 CCN(C)C(=O)C(C)(C)CF 1626a_100000225621_100000138116 [0,1,0,0,0,0|3,0,0]=4 353 B10R0.39 CCN(C)C(=O)C(C)(C)CF 240690a_100000225621_100000138116 [0,1,0,0,0,0|3,0,0]=4 354 B10R0.39 CCN(C)C(=O)C(C)(C)CF 527a_100000225621_100000138116 [0,1,0,0,0,0|3,0,0]=4 355 B10R0.39 CCN(C)C(=O)C(C)(C)CO 1626a_100000225621_100000749806 [0,1,0,0,0,0|3,0,0]=4 356 B10R0.39 CCN(C)C(=O)C(C)(C)CO 240690a_100000225621_100000749806 [0,1,0,0,0,0|3,0,0]=4 357 B10R0.39 CCN(C)C(=O)C(C)(C)CO 527a_100000225621_100000749806 [0,1,0,0,0,0|3,0,0]=4 358 B10R0.39 CCN(C)C(=O)C(C)(C)OC 11a_100000225621_100000753492 [0,1,0,0,0,0|3,0,0]=4 359 B10R0.39 CCN(C)C(=O)C(C)(C)OC 1626a_100000225621_100000753492 [0,1,0,0,0,0|3,0,0]=4 360 B10R0.39 CCN(C)C(=O)C(C)(C)OC 240690a_100000225621_100000753492 [0,1,0,0,0,0|3,0,0]=4 361 B10R0.39 CCN(C)C(=O)C(C)(C)OC 527a_100000225621_100000753492 [0,1,0,0,0,0|3,0,0]=4 362 B10R0.39 CCN(C)C(=O)C(C)(O)CC 240690a_100000225621_100011219770 [0,1,0,0,0,0|1,0,0]=2 363 B10R0.39 CCN(C)C(=O)C(F)(F)CC 11a_100000225621_100000061896 [0,1,0,0,0,0|3,0,0]=4 364 B10R0.39 CCN(C)C(=O)C(F)(F)CC 1626a_100000225621_100000061896 [0,1,0,0,0,0|3,0,0]=4 365 B10R0.39 CCN(C)C(=O)C(F)(F)CC 240690a_100000225621_100000061896 [0,1,0,0,0,0|3,0,0]=4 366 B10R0.39 CCN(C)C(=O)C(F)(F)CC 527a_100000225621_100000061896 [0,1,0,0,0,0|3,0,0]=4 367 B10R0.40 C#CC(C)(C)C(=O)COCC 1458a_100000211967_100000038118 [0,1,0,0,0,0|1,0,2]=4 368 B10R0.40 C#CCCC(=O)C(C)(C)CC 1458a_100000749717_100000753159 [0,1,0,0,0,0|2,0,1]=4 369 B10R0.40 C#CCCC(=O)C(C)(O)CC 1458a_100011219770_100000753159 [0,1,0,0,0,0|1,0,1]=3 370 B10R0.40 C#CCNC(=O)C(C)(C)CC 11a_100000212058_100000749717 [0,1,0,0,0,0|2,0,1]=4 371 B10R0.40 C#CCNC(=O)C(C)(C)CC 1626a_100000212058_100000749717 [0,1,0,0,0,0|2,0,1]=4 372 B10R0.40 C#CCNC(=O)C(C)(C)CC 240690a_100000212058_100000749717 [0,1,0,0,0,0|2,0,1]=4 373 B10R0.40 C#CCNC(=O)C(C)(C)CC 527a_100000212058_100000749717 [0,1,0,0,0,0|2,0,1]=4 374 B10R0.40 C#CCNC(=O)C(C)(O)CC 240690a_100000212058_100011219770 [0,1,0,0,0,0|1,0,1]=3 375 B10R0.40 C/C=C/CC(=O)C(C)(C)CC 1458a_100000749717_100102629194 [0,1,0,0,0,0|2,0,1]=4 376 B10R0.40 C/C=C/CC(=O)C(C)(O)CC 1458a_100011219770_100102629194 [0,1,0,0,0,0|1,0,1]=3 377 B10R0.40 C=CCCC(=O)C(C)(C)CC 1458a_100000749717_100000754431 [0,1,0,0,0,0|2,0,1]=4 378 B10R0.40 C=CCCC(=O)C(C)(O)CC 1458a_100011219770_100000754431 [0,1,0,0,0,0|1,0,1]=3 379 B10R0.40 C=CCNC(=O)C(C)(C)CC 1626a_100020586998_100000749717 [0,1,0,0,0,0|2,0,1]=4 380 B10R0.40 C=CCNC(=O)C(C)(C)CC 240690a_100020586998_100000749717 [0,1,0,0,0,0|2,0,1]=4 381 B10R0.40 C=CCNC(=O)C(C)(C)CC 527a_100020586998_100000749717 [0,1,0,0,0,0|2,0,1]=4 382 B10R0.40 C=CCNC(=O)C(C)(O)CC 240690a_100020586998_100011219770 [0,1,0,0,0,0|1,0,1]=3 383 B10R0.40 CC#CCC(=O)C(C)(C)CC 1458a_100000749717_100000748600 [0,1,0,0,0,0|2,0,1]=4 384 B10R0.40 CC#CCC(=O)C(C)(O)CC 1458a_100011219770_100000748600 [0,1,0,0,0,0|1,0,1]=3 385 B10R0.40 CC(C)(CF)C(=O)CCCF 1458a_100000138116_100011934791 [0,1,0,0,0,0|3,0,0]=4 386 B10R0.40 CC(C)(CF)C(=O)CCCO 1458a_100000138116_100011215043 [0,1,0,0,0,0|3,0,0]=4 387 B10R0.40 CC(C)(CF)C(=O)NCCF 11a_100000724931_100000138116 [0,1,0,0,0,0|3,0,0]=4 388 B10R0.40 CC(C)(CF)C(=O)NCCF 1626a_100000724931_100000138116 [0,1,0,0,0,0|3,0,0]=4 389 B10R0.40 CC(C)(CF)C(=O)NCCF 240690a_100000724931_100000138116 [0,1,0,0,0,0|3,0,0]=4 390 B10R0.40 CC(C)(CF)C(=O)NCCF 527a_100000724931_100000138116 [0,1,0,0,0,0|3,0,0]=4 391 B10R0.40 CC(C)(CF)C(=O)NCCO 240690a_100000210304_100000138116 [0,1,0,0,0,0|3,0,0]=4 392 B10R0.40 CC(C)(CF)C(=O)NCCO 527a_100000210304_100000138116 [0,1,0,0,0,0|3,0,0]=4 393 B10R0.40 CC(C)(CO)C(=O)CCCF 1458a_100000749806_100011934791 [0,1,0,0,0,0|3,0,0]=4 394 B10R0.40 CC(C)(CO)C(=O)CCCO 1458a_100000749806_100011215043 [0,1,0,0,0,0|3,0,0]=4 395 B10R0.40 CC(C)(CO)C(=O)NCCF 1626a_100000724931_100000749806 [0,1,0,0,0,0|3,0,0]=4 396 B10R0.40 CC(C)(CO)C(=O)NCCF 240690a_100000724931_100000749806 [0,1,0,0,0,0|3,0,0]=4 397 B10R0.40 CC(C)(CO)C(=O)NCCF 527a_100000724931_100000749806 [0,1,0,0,0,0|3,0,0]=4 398 B10R0.40 CC(C)(CO)C(=O)NCCO 240690a_100000210304_100000749806 [0,1,0,0,0,0|3,0,0]=4 399 B10R0.40 CC(C)(CO)C(=O)NCCO 527a_100000210304_100000749806 [0,1,0,0,0,0|3,0,0]=4 400 B10R0.40 CC(C)(S[13CH3])C(=O)OCCO 62a_100009817195_200025704644 [0,1,0,0,0,0|2,0,0]=3 401 B10R0.40 CC(C)(S[13CH3])C(=O)OCCO 62a_200025704644_100009817195 [0,1,0,0,0,0|2,0,0]=3 402 B10R0.40 CC=CCC(=O)C(C)(C)CC 1458a_100000749717_100000070051 [0,1,0,0,0,0|2,0,1]=4 403 B10R0.40 CC=CCC(=O)C(C)(O)CC 1458a_100011219770_100000070051 [0,1,0,0,0,0|1,0,1]=3 404 B10R0.40 CCC(C)(C)C(=O)CCC#N 1458a_100000749717_100011215226 [0,1,0,0,0,0|2,0,1]=4 405 B10R0.40 CCC(C)(C)C(=O)CCCF 1458a_100000749717_100011934791 [0,1,0,0,0,0|2,0,0]=3 406 B10R0.40 CCC(C)(C)C(=O)CCCO 1458a_100000749717_100011215043 [0,1,0,0,0,0|2,0,0]=3 407 B10R0.40 CCC(C)(C)C(=O)CCOC 1458a_100000749717_100000233755 [0,1,0,0,0,0|2,0,0]=3 408 B10R0.40 CCC(C)(C)C(=O)CCSC 1458a_100000749717_100000751147 [0,1,0,0,0,0|2,0,0]=3 409 B10R0.40 CCC(C)(C)C(=O)NCC#N 1626a_100000734998_100000749717 [0,1,0,0,0,0|2,0,1]=4 410 B10R0.40 CCC(C)(C)C(=O)NCC#N 527a_100000734998_100000749717 [0,1,0,0,0,0|2,0,1]=4 411 B10R0.40 CCC(C)(C)C(=O)NCCF 11a_100000724931_100000749717 [0,1,0,0,0,0|2,0,0]=3 412 B10R0.40 CCC(C)(C)C(=O)NCCF 1626a_100000724931_100000749717 [0,1,0,0,0,0|2,0,0]=3 413 B10R0.40 CCC(C)(C)C(=O)NCCF 240690a_100000724931_100000749717 [0,1,0,0,0,0|2,0,0]=3 414 B10R0.40 CCC(C)(C)C(=O)NCCF 527a_100000724931_100000749717 [0,1,0,0,0,0|2,0,0]=3 415 B10R0.40 CCC(C)(C)C(=O)NCCO 240690a_100000210304_100000749717 [0,1,0,0,0,0|2,0,0]=3 416 B10R0.40 CCC(C)(C)C(=O)NCCO 527a_100000210304_100000749717 [0,1,0,0,0,0|2,0,0]=3 417 B10R0.40 CCC(C)(O)C(=O)CCC#N 1458a_100011219770_100011215226 [0,1,0,0,0,0|1,0,1]=3 418 B10R0.40 CCC(C)(O)C(=O)CCCF 1458a_100011219770_100011934791 [0,1,0,0,0,0|1,0,0]=2 419 B10R0.40 CCC(C)(O)C(=O)CCCO 1458a_100011219770_100011215043 [0,1,0,0,0,0|1,0,0]=2 420 B10R0.40 CCC(C)(O)C(=O)CCOC 1458a_100011219770_100000233755 [0,1,0,0,0,0|1,0,0]=2 421 B10R0.40 CCC(C)(O)C(=O)CCSC 1458a_100011219770_100000751147 [0,1,0,0,0,0|1,0,0]=2 422 B10R0.40 CCC(C)(O)C(=O)NCCF 240690a_100000724931_100011219770 [0,1,0,0,0,0|1,0,0]=2 423 B10R0.40 CCC(C)(O)C(=O)NCCO 240690a_100000210304_100011219770 [0,1,0,0,0,0|1,0,0]=2 424 B10R0.40 CCC(F)(F)C(=O)CCCF 1458a_100000061896_100011934791 [0,1,0,0,0,0|3,0,0]=4 425 B10R0.40 CCC(F)(F)C(=O)CCCO 1458a_100000061896_100011215043 [0,1,0,0,0,0|3,0,0]=4 426 B10R0.40 CCC(F)(F)C(=O)CCOC 1458a_100000061896_100000233755 [0,1,0,0,0,0|3,0,0]=4 427 B10R0.40 CCC(F)(F)C(=O)CCSC 1458a_100000061896_100000751147 [0,1,0,0,0,0|3,0,0]=4 428 B10R0.40 CCC(F)(F)C(=O)NCCF 11a_100000724931_100000061896 [0,1,0,0,0,0|3,0,0]=4 429 B10R0.40 CCC(F)(F)C(=O)NCCF 1626a_100000724931_100000061896 [0,1,0,0,0,0|3,0,0]=4 430 B10R0.40 CCC(F)(F)C(=O)NCCF 240690a_100000724931_100000061896 [0,1,0,0,0,0|3,0,0]=4 431 B10R0.40 CCC(F)(F)C(=O)NCCF 527a_100000724931_100000061896 [0,1,0,0,0,0|3,0,0]=4 432 B10R0.40 CCC(F)(F)C(=O)NCCO 240690a_100000210304_100000061896 [0,1,0,0,0,0|3,0,0]=4 433 B10R0.40 CCC(F)(F)C(=O)NCCO 527a_100000210304_100000061896 [0,1,0,0,0,0|3,0,0]=4 434 B10R0.40 CCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210211 [0,1,0,0,0,0|2,0,0]=3 435 B10R0.40 CCCCC(=O)C(C)(C)CF 1458a_100000138116_100000210211 [0,1,0,0,0,0|3,0,0]=4 436 B10R0.40 CCCCC(=O)C(C)(C)CO 1458a_100000749806_100000210211 [0,1,0,0,0,0|3,0,0]=4 437 B10R0.40 CCCCC(=O)C(C)(C)OC 1458a_100000753492_100000210211 [0,1,0,0,0,0|3,0,0]=4 438 B10R0.40 CCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210211 [0,1,0,0,0,0|1,0,0]=2 439 B10R0.40 CCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210211 [0,1,0,0,0,0|3,0,0]=4 440 B10R0.40 CCCNC(=O)C(C)(C)CC 11a_100020643023_100000749717 [0,1,0,0,0,0|2,0,0]=3 441 B10R0.40 CCCNC(=O)C(C)(C)CC 1626a_100020643023_100000749717 [0,1,0,0,0,0|2,0,0]=3 442 B10R0.40 CCCNC(=O)C(C)(C)CC 240690a_100020643023_100000749717 [0,1,0,0,0,0|2,0,0]=3 443 B10R0.40 CCCNC(=O)C(C)(C)CC 527a_100020643023_100000749717 [0,1,0,0,0,0|2,0,0]=3 444 B10R0.40 CCCNC(=O)C(C)(C)CF 11a_100020643023_100000138116 [0,1,0,0,0,0|3,0,0]=4 445 B10R0.40 CCCNC(=O)C(C)(C)CF 1626a_100020643023_100000138116 [0,1,0,0,0,0|3,0,0]=4 446 B10R0.40 CCCNC(=O)C(C)(C)CF 240690a_100020643023_100000138116 [0,1,0,0,0,0|3,0,0]=4 447 B10R0.40 CCCNC(=O)C(C)(C)CF 527a_100020643023_100000138116 [0,1,0,0,0,0|3,0,0]=4 448 B10R0.40 CCCNC(=O)C(C)(C)CO 1626a_100020643023_100000749806 [0,1,0,0,0,0|3,0,0]=4 449 B10R0.40 CCCNC(=O)C(C)(C)CO 240690a_100020643023_100000749806 [0,1,0,0,0,0|3,0,0]=4 450 B10R0.40 CCCNC(=O)C(C)(C)CO 527a_100020643023_100000749806 [0,1,0,0,0,0|3,0,0]=4 451 B10R0.40 CCCNC(=O)C(C)(C)OC 11a_100020643023_100000753492 [0,1,0,0,0,0|3,0,0]=4 452 B10R0.40 CCCNC(=O)C(C)(C)OC 1626a_100020643023_100000753492 [0,1,0,0,0,0|3,0,0]=4 453 B10R0.40 CCCNC(=O)C(C)(C)OC 240690a_100020643023_100000753492 [0,1,0,0,0,0|3,0,0]=4 454 B10R0.40 CCCNC(=O)C(C)(C)OC 527a_100020643023_100000753492 [0,1,0,0,0,0|3,0,0]=4 455 B10R0.40 CCCNC(=O)C(C)(O)CC 240690a_100020643023_100011219770 [0,1,0,0,0,0|1,0,0]=2 456 B10R0.40 CCCNC(=O)C(F)(F)CC 11a_100020643023_100000061896 [0,1,0,0,0,0|3,0,0]=4 457 B10R0.40 CCCNC(=O)C(F)(F)CC 1626a_100020643023_100000061896 [0,1,0,0,0,0|3,0,0]=4 458 B10R0.40 CCCNC(=O)C(F)(F)CC 240690a_100020643023_100000061896 [0,1,0,0,0,0|3,0,0]=4 459 B10R0.40 CCCNC(=O)C(F)(F)CC 527a_100020643023_100000061896 [0,1,0,0,0,0|3,0,0]=4 460 B10R0.40 CCNN=C(C)C(C)(C)CC 4a_100000756455_100000694642 [0,1,0,0,0,0|3,0,0]=4 461 B10R0.40 CCNNC(=O)C(C)(C)CC 22a_100000756455_100000749717 [0,1,0,0,0,0|2,0,0]=3 462 B10R0.40 CCNNC(=O)C(C)(C)CF 22a_100000756455_100000138116 [0,1,0,0,0,0|3,0,0]=4 463 B10R0.40 CCNNC(=O)C(C)(C)CO 22a_100000756455_100000749806 [0,1,0,0,0,0|3,0,0]=4 464 B10R0.40 CCNNC(=O)C(C)(C)OC 22a_100000756455_100000753492 [0,1,0,0,0,0|3,0,0]=4 465 B10R0.40 CCNNC(=O)C(C)(O)CC 22a_100000756455_100011219770 [0,1,0,0,0,0|1,0,0]=2 466 B10R0.40 CCNNC(=O)C(F)(F)CC 22a_100000756455_100000061896 [0,1,0,0,0,0|3,0,0]=4 467 B10R0.40 CCOCN(C)C(C)(C)CC 269982a_200000755171_100000739092 [0,1,0,0,0,0|3,0,0]=4 468 B10R0.40 CNC(C)(C)C(=O)OCCO 2230a_106832991635_100009817195 [0,1,0,0,0,0|2,0,0]=3 469 B10R0.40 CNC(C)(C)C(=O)OCCO 34a_100102657272_100009817195 [0,1,0,0,0,0|2,0,0]=3 470 B10R0.40 CNC(C)(C)C(=O)OCCO 7a_106832991635_100009817195 [0,1,0,0,0,0|2,0,0]=3 471 B10R0.40 COC(C)(C)C(=O)CCCF 1458a_100000753492_100011934791 [0,1,0,0,0,0|3,0,0]=4 472 B10R0.40 COC(C)(C)C(=O)CCCO 1458a_100000753492_100011215043 [0,1,0,0,0,0|3,0,0]=4 473 B10R0.40 COC(C)(C)C(=O)CCSC 1458a_100000753492_100000751147 [0,1,0,0,0,0|3,0,0]=4 474 B10R0.40 COC(C)(C)C(=O)NCCF 11a_100000724931_100000753492 [0,1,0,0,0,0|3,0,0]=4 475 B10R0.40 COC(C)(C)C(=O)NCCF 1626a_100000724931_100000753492 [0,1,0,0,0,0|3,0,0]=4 476 B10R0.40 COC(C)(C)C(=O)NCCF 240690a_100000724931_100000753492 [0,1,0,0,0,0|3,0,0]=4 477 B10R0.40 COC(C)(C)C(=O)NCCF 527a_100000724931_100000753492 [0,1,0,0,0,0|3,0,0]=4 478 B10R0.40 COC(C)(C)C(=O)NCCO 240690a_100000210304_100000753492 [0,1,0,0,0,0|3,0,0]=4 479 B10R0.40 COC(C)(C)C(=O)NCCO 527a_100000210304_100000753492 [0,1,0,0,0,0|3,0,0]=4 480 B10R0.40 COC(C)(C)C(=O)OCCO 34a_100138415774_100009817195 [0,1,0,0,0,0|2,0,0]=3 481 B10R0.40 COCCC(=O)C(C)(C)CF 1458a_100000138116_100000233755 [0,1,0,0,0,0|3,0,0]=4 482 B10R0.40 COCCC(=O)C(C)(C)CO 1458a_100000749806_100000233755 [0,1,0,0,0,0|3,0,0]=4 483 B10R0.40 COCCC(=O)C(C)(C)OC 1458a_100000753492_100000233755 [0,1,0,0,0,0|3,0,0]=4 484 B10R0.40 CSC(C)(C)C(=O)OCCO 62a_100009817195_200000210301 [0,1,0,0,0,0|2,0,0]=3 485 B10R0.40 CSC(C)(C)C(=O)OCCO 62a_200000210301_100009817195 [0,1,0,0,0,0|2,0,0]=3 486 B10R0.40 CSCCC(=O)C(C)(C)CF 1458a_100000138116_100000751147 [0,1,0,0,0,0|3,0,0]=4 487 B10R0.40 CSCCC(=O)C(C)(C)CO 1458a_100000749806_100000751147 [0,1,0,0,0,0|3,0,0]=4 488 B10R0.63 C=C(C)CC(=O)C(C)(C)CC 1458a_100000749717_100000748629 [0,1,0,0,0,0|2,0,1]=4 489 B10R0.63 C=C(C)CC(=O)C(C)(O)CC 1458a_100011219770_100000748629 [0,1,0,0,0,0|1,0,1]=3 490 B10R0.63 C=C(F)CC(=O)C(C)(O)CC 1458a_100011219770_100009893438 [0,1,0,0,0,0|1,0,2]=4 491 B10R0.63 CC(C)CC(=O)C(C)(C)CF 1458a_100000138116_100000210624 [0,1,0,0,0,0|3,0,0]=4 492 B10R0.63 CC(C)CC(=O)C(C)(C)CO 1458a_100000749806_100000210624 [0,1,0,0,0,0|3,0,0]=4 493 B10R0.63 CC(C)NC(=O)C(C)(C)CF 11a_100138425928_100000138116 [0,1,0,0,0,0|3,0,0]=4 494 B10R0.63 CC(C)NC(=O)C(C)(C)CF 1626a_100138425928_100000138116 [0,1,0,0,0,0|3,0,0]=4 495 B10R0.63 CC(C)NC(=O)C(C)(C)CF 240690a_100138425928_100000138116 [0,1,0,0,0,0|3,0,0]=4 496 B10R0.63 CC(C)NC(=O)C(C)(C)CF 527a_100138425928_100000138116 [0,1,0,0,0,0|3,0,0]=4 497 B10R0.63 CC(C)NC(=O)C(C)(C)CO 1626a_100138425928_100000749806 [0,1,0,0,0,0|3,0,0]=4 498 B10R0.63 CC(C)NC(=O)C(C)(C)CO 240690a_100138425928_100000749806 [0,1,0,0,0,0|3,0,0]=4 499 B10R0.63 CC(C)NC(=O)C(C)(C)CO 527a_100138425928_100000749806 [0,1,0,0,0,0|3,0,0]=4 500 B10R0.63 CC(C)OC(=O)C(C)(C)S[13CH3] 62a_100009814322_200025704644 [0,1,0,0,0,0|2,0,0]=3 501 B10R0.63 CC(C)OC(=O)C(C)(C)S[13CH3] 62a_200025704644_100009814322 [0,1,0,0,0,0|2,0,0]=3 502 B10R0.63 CC(O)CC(=O)C(C)(C)CF 1458a_100000138116_100011218427 [0,1,0,0,0,0|3,0,0]=4 503 B10R0.63 CC(O)CC(=O)C(C)(C)CO 1458a_100000749806_100011218427 [0,1,0,0,0,0|3,0,0]=4 504 B10R0.63 CCC(C)(C)C(=O)CC(C)C 1458a_100000749717_100000210624 [0,1,0,0,0,0|2,0,0]=3 505 B10R0.63 CCC(C)(C)C(=O)CC(C)O 1458a_100000749717_100011218427 [0,1,0,0,0,0|2,0,0]=3 506 B10R0.63 CCC(C)(C)C(=O)CC(F)F 1458a_100000749717_100011934356 [0,1,0,0,0,0|3,0,0]=4 507 B10R0.63 CCC(C)(C)C(=O)NC(C)C 11a_100138425928_100000749717 [0,1,0,0,0,0|2,0,0]=3 508 B10R0.63 CCC(C)(C)C(=O)NC(C)C 1626a_100138425928_100000749717 [0,1,0,0,0,0|2,0,0]=3 509 B10R0.63 CCC(C)(C)C(=O)NC(C)C 240690a_100138425928_100000749717 [0,1,0,0,0,0|2,0,0]=3 510 B10R0.63 CCC(C)(C)C(=O)NC(C)C 527a_100138425928_100000749717 [0,1,0,0,0,0|2,0,0]=3 511 B10R0.63 CCC(C)(O)C(=O)CC(=O)N 1458a_100011219770_100000187820 [0,1,0,0,0,0|2,0,1]=4 512 B10R0.63 CCC(C)(O)C(=O)CC(=O)[O-] 1458a_100011219770_100020667443 [0,1,0,0,0,0|2,0,1]=4 513 B10R0.63 CCC(C)(O)C(=O)CC(C)C 1458a_100011219770_100000210624 [0,1,0,0,0,0|1,0,0]=2 514 B10R0.63 CCC(C)(O)C(=O)CC(C)O 1458a_100011219770_100011218427 [0,1,0,0,0,0|1,0,0]=2 515 B10R0.63 CCC(C)(O)C(=O)CC(F)F 1458a_100011219770_100011934356 [0,1,0,0,0,0|2,0,0]=3 516 B10R0.63 CCC(C)(O)C(=O)C[N+](=O)[O-] 1458a_100011219770_100000761209 [0,1,0,0,0,0|3,0,0]=4 517 B10R0.63 CCC(C)(O)C(=O)NC(C)C 240690a_100138425928_100011219770 [0,1,0,0,0,0|1,0,0]=2 518 B10R0.63 CCC(F)(F)C(=O)CC(C)C 1458a_100000061896_100000210624 [0,1,0,0,0,0|3,0,0]=4 519 B10R0.63 CCC(F)(F)C(=O)CC(C)O 1458a_100000061896_100011218427 [0,1,0,0,0,0|3,0,0]=4 520 B10R0.63 CCC(F)(F)C(=O)NC(C)C 11a_100138425928_100000061896 [0,1,0,0,0,0|3,0,0]=4 521 B10R0.63 CCC(F)(F)C(=O)NC(C)C 1626a_100138425928_100000061896 [0,1,0,0,0,0|3,0,0]=4 522 B10R0.63 CCC(F)(F)C(=O)NC(C)C 240690a_100138425928_100000061896 [0,1,0,0,0,0|3,0,0]=4 523 B10R0.63 CCC(F)(F)C(=O)NC(C)C 527a_100138425928_100000061896 [0,1,0,0,0,0|3,0,0]=4 524 B10R0.63 CNC(C)(C)C(=O)OC(C)C 2230a_106832991635_100009814322 [0,1,0,0,0,0|2,0,0]=3 525 B10R0.63 CNC(C)(C)C(=O)OC(C)C 7a_106832991635_100009814322 [0,1,0,0,0,0|2,0,0]=3 526 B10R0.63 COC(C)(C)C(=O)CC(C)C 1458a_100000753492_100000210624 [0,1,0,0,0,0|3,0,0]=4 527 B10R0.63 COC(C)(C)C(=O)CC(C)O 1458a_100000753492_100011218427 [0,1,0,0,0,0|3,0,0]=4 528 B10R0.63 COC(C)(C)C(=O)NC(C)C 11a_100138425928_100000753492 [0,1,0,0,0,0|3,0,0]=4 529 B10R0.63 COC(C)(C)C(=O)NC(C)C 1626a_100138425928_100000753492 [0,1,0,0,0,0|3,0,0]=4 530 B10R0.63 COC(C)(C)C(=O)NC(C)C 240690a_100138425928_100000753492 [0,1,0,0,0,0|3,0,0]=4 531 B10R0.63 COC(C)(C)C(=O)NC(C)C 527a_100138425928_100000753492 [0,1,0,0,0,0|3,0,0]=4 532 B10R0.63 CSC(C)(C)C(=O)OC(C)C 62a_100009814322_200000210301 [0,1,0,0,0,0|2,0,0]=3 533 B10R0.63 CSC(C)(C)C(=O)OC(C)C 62a_200000210301_100009814322 [0,1,0,0,0,0|2,0,0]=3 534 B10R0.129 C=CCC(C)(C)C(=O)CCC 1458a_100000705796_100000210303 [0,1,0,0,0,0|2,0,1]=4 535 B10R0.129 C=CCC(C)(C)C(=O)NCC 11a_100015525214_100000705796 [0,1,0,0,0,0|2,0,1]=4 536 B10R0.129 C=CCC(C)(C)C(=O)NCC 240690a_100015525214_100000705796 [0,1,0,0,0,0|2,0,1]=4 537 B10R0.129 C=CCC(C)(C)C(=O)NCC 527a_100015525214_100000705796 [0,1,0,0,0,0|2,0,1]=4 538 B10R0.129 CCCC(=O)C(C)(C)CCC 1458a_100011215034_100000210303 [0,1,0,0,0,0|2,0,0]=3 539 B10R0.129 CCCC(=O)C(C)(C)OCC 1458a_100011458965_100000210303 [0,1,0,0,0,0|2,0,0]=3 540 B10R0.129 CCCC(C)(C)C(=O)CCF 1458a_100011215034_100011217306 [0,1,0,0,0,0|3,0,0]=4 541 B10R0.129 CCCC(C)(C)C(=O)CCO 1458a_100011215034_100000211926 [0,1,0,0,0,0|3,0,0]=4 542 B10R0.129 CCCC(C)(C)C(=O)NCC 11a_100015525214_100011215034 [0,1,0,0,0,0|2,0,0]=3 543 B10R0.129 CCCC(C)(C)C(=O)NCC 240690a_100015525214_100011215034 [0,1,0,0,0,0|2,0,0]=3 544 B10R0.129 CCCC(C)(C)C(=O)NCC 527a_100015525214_100011215034 [0,1,0,0,0,0|2,0,0]=3 545 B10R0.129 CCCC(C)(C)C(=O)NNC 22a_100016993582_100011215034 [0,1,0,0,0,0|3,0,0]=4 546 B10R0.129 CCNC(=O)C(C)(C)CSC 62a_100011895991_200000210301 [0,1,0,0,0,0|2,0,0]=3 547 B10R0.129 CCNC(=O)C(C)(C)CSC 62a_200000210301_100011895991 [0,1,0,0,0,0|2,0,0]=3 548 B10R0.129 CCNC(=O)C(C)(C)CS[13CH3] 62a_100011895991_200025704644 [0,1,0,0,0,0|2,0,0]=3 549 B10R0.129 CCNC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100011895991 [0,1,0,0,0,0|2,0,0]=3 550 B10R0.129 CCNC(=O)C(C)(C)OCC 11a_100015525214_100011458965 [0,1,0,0,0,0|2,0,0]=3 551 B10R0.129 CCNC(=O)C(C)(C)OCC 240690a_100015525214_100011458965 [0,1,0,0,0,0|2,0,0]=3 552 B10R0.129 CCNC(=O)C(C)(C)OCC 527a_100015525214_100011458965 [0,1,0,0,0,0|2,0,0]=3 553 B10R0.129 CCNC(C)(C)C(=O)OCC 2230a_100015525214_100011216345 [0,1,0,0,0,0|1,0,0]=2 554 B10R0.129 CCOC(=O)C(C)(C)CNC 2230a_106832991635_100011219049 [0,1,0,0,0,0|1,0,0]=2 555 B10R0.129 CCOC(=O)C(C)(C)COC 7a_100011765865_200000210301 [0,1,0,0,0,0|1,0,0]=2 556 B10R0.129 CCOC(=O)C(C)(C)CO[13CH3] 7a_100011765865_200025704644 [0,1,0,0,0,0|1,0,0]=2 557 B10R0.129 CCOC(=O)C(C)(C)CSC 62a_100011219049_200000210301 [0,1,0,0,0,0|1,0,0]=2 558 B10R0.129 CCOC(=O)C(C)(C)CSC 62a_200000210301_100011219049 [0,1,0,0,0,0|1,0,0]=2 559 B10R0.129 CCOC(=O)C(C)(C)CS[13CH3] 62a_100011219049_200025704644 [0,1,0,0,0,0|1,0,0]=2 560 B10R0.129 CCOC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100011219049 [0,1,0,0,0,0|1,0,0]=2 561 B10R0.129 CCOC(=O)C(C)(C)OCC 34a_100000686869_100000210202 [0,1,0,0,0,0|1,0,0]=2 562 B10R0.129 CCOC(=O)C(C)(C)OCC 7a_100000686869_100000210202 [0,1,0,0,0,0|1,0,0]=2 563 B10R0.129 CCOC(=O)C(C)(C)OCF 34a_100000686869_100015361967 [0,1,0,0,0,0|2,0,0]=3 564 B10R0.129 CCOC(=O)C(C)(C)OCF 7a_100000686869_100015361967 [0,1,0,0,0,0|2,0,0]=3 565 B10R0.129 CCOC(=O)C(C)(C)SCC 62a_100000210202_100011216345 [0,1,0,0,0,0|1,0,0]=2 566 B10R0.129 CCOC(=O)C(C)(C)SCC 62a_100011216345_100000210202 [0,1,0,0,0,0|1,0,0]=2 567 B10R0.129 CCOC(=O)C(C)(C)SCF 62a_100011216345_100015361967 [0,1,0,0,0,0|2,0,0]=3 568 B10R0.129 CCOC(=O)C(C)(C)SCF 62a_100015361967_100011216345 [0,1,0,0,0,0|2,0,0]=3 569 B10R0.129 CCOC(=O)C(F)(F)CNC 34a_100102657272_100009817193 [0,1,0,0,0,0|2,0,0]=3 570 B10R0.129 CCOC(=O)C(F)(F)COC 34a_100138415774_100009817193 [0,1,0,0,0,0|2,0,0]=3 571 B10R0.129 CCOC(=O)C(F)(F)CSC 62a_100009817193_200000210301 [0,1,0,0,0,0|2,0,0]=3 572 B10R0.129 CCOC(=O)C(F)(F)CSC 62a_200000210301_100009817193 [0,1,0,0,0,0|2,0,0]=3 573 B10R0.129 CCOC(=O)C(F)(F)CS[13CH3] 62a_100009817193_200025704644 [0,1,0,0,0,0|2,0,0]=3 574 B10R0.129 CCOC(=O)C(F)(F)CS[13CH3] 62a_200025704644_100009817193 [0,1,0,0,0,0|2,0,0]=3 575 B10R0.129 CCOC(=O)C(F)(F)OCC 34a_100121572206_100000210910 [0,1,0,0,0,0|2,0,0]=3 576 B10R0.129 CCOC(=O)C(F)(F)SCC 62a_100000210202_100000210910 [0,1,0,0,0,0|2,0,0]=3 577 B10R0.129 CCOC(=O)C(F)(F)SCC 62a_100000210910_100000210202 [0,1,0,0,0,0|2,0,0]=3 578 B10R0.129 CCOC(=O)C(F)(F)SCF 62a_100000210910_100015361967 [0,1,0,0,0,0|3,0,0]=4 579 B10R0.129 CCOC(=O)C(F)(F)SCF 62a_100015361967_100000210910 [0,1,0,0,0,0|3,0,0]=4 580 B10R0.129 CCOC(C)(C)C(=O)CCF 1458a_100011458965_100011217306 [0,1,0,0,0,0|3,0,0]=4 581 B10R0.129 CCOC(C)(C)C(=O)CCO 1458a_100011458965_100000211926 [0,1,0,0,0,0|3,0,0]=4 582 B10R0.129 CCOC(C)(C)C(=O)NNC 22a_100016993582_100011458965 [0,1,0,0,0,0|3,0,0]=4 583 B10R0.130 CC#CC(=O)C(C)(CC)CC 1458a_100000763181_100009817345 [0,1,0,0,0,0|2,0,1]=4 584 B10R0.130 CC(CO)(CO)C(=O)CCF 1458a_100000693232_100011217306 [0,1,0,0,0,0|3,0,0]=4 585 B10R0.130 CC(CO)(CO)C(=O)CCO 1458a_100000693232_100000211926 [0,1,0,0,0,0|3,0,0]=4 586 B10R0.130 CC=CC(=O)C(C)(CC)CC 1458a_100000210699_100009817345 [0,1,0,0,0,0|2,0,1]=4 587 B10R0.130 CCC(C)(CC)C(=O)CCF 1458a_100000760562_100011217306 [0,1,0,0,0,0|3,0,0]=4 588 B10R0.130 CCC(C)(CC)C(=O)CCO 1458a_100000760562_100000211926 [0,1,0,0,0,0|3,0,0]=4 589 B10R0.130 CCC(C)(CC)C(=O)CCO 1458a_100011216618_100009817345 [0,1,0,0,0,0|3,0,0]=4 590 B10R0.130 CCC(C)(CC)C(=O)COC 1458a_100000210968_100009817345 [0,1,0,0,0,0|3,0,0]=4 591 B10R0.130 CCC(C)(CC)C(=O)CSC 1458a_100000184570_100009817345 [0,1,0,0,0,0|3,0,0]=4 592 B10R0.130 CCC(C)(CC)C(=O)NNC 22a_100016993582_100000760562 [0,1,0,0,0,0|3,0,0]=4 593 B10R0.130 CCCC(=O)C(C)(CC)CC 1458a_100000211992_100009817345 [0,1,0,0,0,0|2,0,0]=3 594 B10R0.130 CCCC(=O)C(C)(CC)CC 1458a_100000760562_100000210303 [0,1,0,0,0,0|2,0,0]=3 595 B10R0.130 CCCC(=O)C(C)(CO)CO 1458a_100000693232_100000210303 [0,1,0,0,0,0|2,0,0]=3 596 B10R0.130 CCNC(=O)C(C)(CC)CC 11a_100015525214_100000760562 [0,1,0,0,0,0|2,0,0]=3 597 B10R0.130 CCNC(=O)C(C)(CC)CC 240690a_100015525214_100000760562 [0,1,0,0,0,0|2,0,0]=3 598 B10R0.130 CCNC(=O)C(C)(CC)CC 527a_100015525214_100000760562 [0,1,0,0,0,0|2,0,0]=3 599 B10R0.130 CCNC(=O)C(C)(CO)CO 240690a_100015525214_100000693232 [0,1,0,0,0,0|2,0,0]=3 600 B10R0.130 CNNC(=O)C(C)(CO)CO 22a_100016993582_100000693232 [0,1,0,0,0,0|3,0,0]=4 601 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 2230a_100000751695_200025704644 [0,0,0,1,0,0|3,0,0]=4 602 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 269982a_100000751695_200025704644 [0,0,0,1,0,0|3,0,0]=4 603 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 34a_100000751695_200025704644 [0,0,0,1,0,0|3,0,0]=4 604 B10R1.114 CN1CCNC(=O)C1(C)C 2230a_100000751695_200000210301 [0,0,0,1,0,0|3,0,0]=4 605 B10R1.114 CN1CCNC(=O)C1(C)C 269982a_100000751695_200000210301 [0,0,0,1,0,0|3,0,0]=4 606 B10R1.114 CN1CCNC(=O)C1(C)C 34a_100000751695_200000210301 [0,0,0,1,0,0|3,0,0]=4 607 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210202 [0,0,0,1,0,0|2,0,1]=4 608 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210202 [0,0,0,1,0,0|2,0,1]=4 609 B10R1.133 CCOC1CCCC1(C)C 34a_100000726220_100000210202 [0,0,0,1,0,0|2,0,1]=4 610 B10R1.133 CCOC1CCCC1(C)C 7a_100000726220_100000210202 [0,0,0,1,0,0|2,0,1]=4 611 B10R1.401 C#CCC(=O)C1(CCC1)O 1458a_100000242746_100000184674 [0,0,0,1,0,0|1,0,2]=4 612 B10R1.401 C=CCC(=O)C1(CCC1)O 1458a_100000242746_100000210623 [0,0,0,1,0,0|1,0,2]=4 613 B10R1.401 CC1(CCC1)C(=O)CCF 1458a_100000684636_100011217306 [0,0,0,1,0,0|3,0,0]=4 614 B10R1.401 CC1(CCC1)C(=O)CCO 1458a_100000684636_100000211926 [0,0,0,1,0,0|3,0,0]=4 615 B10R1.401 CCCC(=O)C1(CCC1)C 1458a_100000684636_100000210303 [0,0,0,1,0,0|2,0,0]=3 616 B10R1.401 CCCC(=O)C1(CCC1)O 1458a_100000242746_100000210303 [0,0,0,1,0,0|1,0,0]=2 617 B10R1.401 CCCC(=O)C1(COC1)C 1458a_100000094709_100000210303 [0,0,0,1,0,0|3,0,0]=4 618 B10R1.401 CCCC(=O)C1(COC1)O 1458a_100010273515_100000210303 [0,0,0,1,0,0|2,0,0]=3 619 B10R1.401 CCNC(=O)C1(CCC1)C 11a_100015525214_100000684636 [0,0,0,1,0,0|2,0,0]=3 620 B10R1.401 CCNC(=O)C1(CCC1)C 240690a_100015525214_100000684636 [0,0,0,1,0,0|2,0,0]=3 621 B10R1.401 CCNC(=O)C1(CCC1)C 527a_100015525214_100000684636 [0,0,0,1,0,0|2,0,0]=3 622 B10R1.401 CCNC(=O)C1(CCC1)O 240690a_100015525214_100000242746 [0,0,0,1,0,0|1,0,0]=2 623 B10R1.401 CCNC(=O)C1(COC1)C 11a_100015525214_100000094709 [0,0,0,1,0,0|3,0,0]=4 624 B10R1.401 CCNC(=O)C1(COC1)C 527a_100015525214_100000094709 [0,0,0,1,0,0|3,0,0]=4 625 B10R1.401 CCNC(=O)C1(COC1)O 240690a_100015525214_100010273515 [0,0,0,1,0,0|2,0,0]=3 626 B10R1.401 CNNC(=O)C1(CCC1)C 22a_100016993582_100000684636 [0,0,0,1,0,0|3,0,0]=4 627 B10R1.401 CNNC(=O)C1(CCC1)O 22a_100016993582_100000242746 [0,0,0,1,0,0|2,0,0]=3 628 B10R1.401 CNNC(=O)C1(COC1)O 22a_100016993582_100010273515 [0,0,0,1,0,0|3,0,0]=4 629 B10R1.401 N#CCC(=O)C1(CCC1)O 1458a_100000242746_100011214920 [0,0,0,1,0,0|2,0,1]=4 630 B10R1.401 O=C(CCF)C1(CCC1)O 1458a_100000242746_100011217306 [0,0,0,1,0,0|2,0,0]=3 631 B10R1.401 O=C(CCF)C1(COC1)O 1458a_100010273515_100011217306 [0,0,0,1,0,0|3,0,0]=4 632 B10R1.401 O=C(CCO)C1(CCC1)O 1458a_100000242746_100000211926 [0,0,0,1,0,0|2,0,0]=3 633 B10R1.401 O=C(CCO)C1(COC1)O 1458a_100010273515_100000211926 [0,0,0,1,0,0|3,0,0]=4 634 B10R1.405 CCCC(=O)C1(CC1)CO 1458a_100012027107_100000210303 [0,0,0,1,0,0|3,0,0]=4 635 B10R1.405 CCCC(=O)C1(CC1)OC 1458a_100000137688_100000210303 [0,0,0,1,0,0|3,0,0]=4 636 B10R1.405 CCNC(=O)C1(CC1)CO 240690a_100015525214_100012027107 [0,0,0,1,0,0|3,0,0]=4 637 B10R1.405 CCNC(=O)C1(CC1)OC 11a_100015525214_100000137688 [0,0,0,1,0,0|3,0,0]=4 638 B10R1.405 CCNC(=O)C1(CC1)OC 240690a_100015525214_100000137688 [0,0,0,1,0,0|3,0,0]=4 639 B10R1.405 CCNC(=O)C1(CC1)OC 527a_100015525214_100000137688 [0,0,0,1,0,0|3,0,0]=4 640 B10R1.405 CCOC(=O)C1(CC1)NC 34a_100102657272_100009861064 [0,0,0,1,0,0|2,0,0]=3 641 B10R1.405 CCOC(=O)C1(CC1)NC 7a_106832991635_100009861064 [0,0,0,1,0,0|2,0,0]=3 642 B10R1.405 CCOC(=O)C1(CC1)OC 34a_100138415774_100009861064 [0,0,0,1,0,0|2,0,0]=3 643 B10R1.405 CCOC(=O)C1(CC1)OC 7a_200011934196_200000210301 [0,0,0,1,0,0|2,0,0]=3 644 B10R1.405 CCOC(=O)C1(CC1)O[13CH3] 7a_200011934196_200025704644 [0,0,0,1,0,0|2,0,0]=3 645 B10R1.405 CCOC(=O)C1(CC1)SC 62a_100009861064_200000210301 [0,0,0,1,0,0|2,0,0]=3 646 B10R1.405 CCOC(=O)C1(CC1)SC 62a_200000210301_100009861064 [0,0,0,1,0,0|2,0,0]=3 647 B10R1.405 CCOC(=O)C1(CC1)S[13CH3] 62a_100009861064_200025704644 [0,0,0,1,0,0|2,0,0]=3 648 B10R1.405 CCOC(=O)C1(CC1)S[13CH3] 62a_200025704644_100009861064 [0,0,0,1,0,0|2,0,0]=3 649 B10R0.7 C#CCC(=O)CC(C)(O)CC 1458a_200011219800_100000184674 [0,0,0,0,0,1|1,0,2]=4 650 B10R0.7 C=CCC(=O)CC(C)(O)CC 1458a_200011219800_100000210623 [0,0,0,0,0,1|1,0,2]=4 651 B10R0.7 CC=CC(=O)NC(C)(C)CC 11a_100000211385_100000210699 [0,0,0,0,0,1|2,0,1]=4 652 B10R0.7 CC=CC(=O)NC(C)(C)CC 1626a_100000211385_100000210699 [0,0,0,0,0,1|2,0,1]=4 653 B10R0.7 CC=CC(=O)NC(C)(C)CC 240690a_100000211385_100000210699 [0,0,0,0,0,1|2,0,1]=4 654 B10R0.7 CCC(C)(C)CC(=O)CCF 1458a_200000763500_100011217306 [0,0,0,0,0,1|3,0,0]=4 655 B10R0.7 CCC(C)(C)CC(=O)CCO 1458a_200000763500_100000211926 [0,0,0,0,0,1|3,0,0]=4 656 B10R0.7 CCC(C)(C)CC(=O)NNC 22a_100016993582_200000763500 [0,0,0,0,0,1|3,0,0]=4 657 B10R0.7 CCC(C)(C)NC(=O)CCO 240690a_100000211385_100011216618 [0,0,0,0,0,1|3,0,0]=4 658 B10R0.7 CCC(C)(C)NC(=O)CNC 2230a_106832991635_100000230344 [0,0,0,0,0,1|3,0,0]=4 659 B10R0.7 CCC(C)(C)NC(=O)CNC 34a_100102657272_100000230344 [0,0,0,0,0,1|3,0,0]=4 660 B10R0.7 CCC(C)(C)NC(=O)CNC 7a_106832991635_100000230344 [0,0,0,0,0,1|3,0,0]=4 661 B10R0.7 CCC(C)(C)NC(=O)COC 11a_100000211385_100000210968 [0,0,0,0,0,1|3,0,0]=4 662 B10R0.7 CCC(C)(C)NC(=O)COC 1626a_100000211385_100000210968 [0,0,0,0,0,1|3,0,0]=4 663 B10R0.7 CCC(C)(C)NC(=O)COC 240690a_100000211385_100000210968 [0,0,0,0,0,1|3,0,0]=4 664 B10R0.7 CCC(C)(C)NC(=O)COC 34a_100138415774_100000230344 [0,0,0,0,0,1|3,0,0]=4 665 B10R0.7 CCC(C)(C)NC(=O)COC 527a_100000211385_100000210968 [0,0,0,0,0,1|3,0,0]=4 666 B10R0.7 CCC(C)(C)NC(=O)CSC 11a_100000211385_100000184570 [0,0,0,0,0,1|3,0,0]=4 667 B10R0.7 CCC(C)(C)NC(=O)CSC 1626a_100000211385_100000184570 [0,0,0,0,0,1|3,0,0]=4 668 B10R0.7 CCC(C)(C)NC(=O)CSC 240690a_100000211385_100000184570 [0,0,0,0,0,1|3,0,0]=4 669 B10R0.7 CCC(C)(C)NC(=O)CSC 527a_100000211385_100000184570 [0,0,0,0,0,1|3,0,0]=4 670 B10R0.7 CCC(C)(C)NC(=O)CSC 62a_100000230344_200000210301 [0,0,0,0,0,1|3,0,0]=4 671 B10R0.7 CCC(C)(C)NC(=O)CSC 62a_200000210301_100000230344 [0,0,0,0,0,1|3,0,0]=4 672 B10R0.7 CCC(C)(C)NC(=O)CS[13CH3] 62a_100000230344_200025704644 [0,0,0,0,0,1|3,0,0]=4 673 B10R0.7 CCC(C)(C)NC(=O)CS[13CH3] 62a_200025704644_100000230344 [0,0,0,0,0,1|3,0,0]=4 674 B10R0.7 CCC(C)(C)NC(=O)NNC 273464a_100000211385_100016993582 [0,0,0,0,0,1|3,0,0]=4 675 B10R0.7 CCC(C)(C)NC(=O)NNC 512a_100000211385_100016993582 [0,0,0,0,0,1|3,0,0]=4 676 B10R0.7 CCC(C)(C)NC(=O)NNC 512a_100016993582_100000211385 [0,0,0,0,0,1|3,0,0]=4 677 B10R0.7 CCC(C)(O)CC(=O)CC#N 1458a_200011219800_100011214920 [0,0,0,0,0,1|2,0,1]=4 678 B10R0.7 CCC(C)(O)CC(=O)CCF 1458a_200011219800_100011217306 [0,0,0,0,0,1|2,0,0]=3 679 B10R0.7 CCC(C)(O)CC(=O)CCO 1458a_200011219800_100000211926 [0,0,0,0,0,1|2,0,0]=3 680 B10R0.7 CCC(C)(O)CC(=O)NNC 22a_100016993582_200011219800 [0,0,0,0,0,1|2,0,0]=3 681 B10R0.7 CCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210303 [0,0,0,0,0,1|2,0,0]=3 682 B10R0.7 CCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210303 [0,0,0,0,0,1|1,0,0]=2 683 B10R0.7 CCCC(=O)NC(C)(C)CC 11a_100000211385_100000211992 [0,0,0,0,0,1|2,0,0]=3 684 B10R0.7 CCCC(=O)NC(C)(C)CC 1626a_100000211385_100000211992 [0,0,0,0,0,1|2,0,0]=3 685 B10R0.7 CCCC(=O)NC(C)(C)CC 240690a_100000211385_100000211992 [0,0,0,0,0,1|2,0,0]=3 686 B10R0.7 CCCC(=O)NC(C)(C)CC 527a_100000211385_100000211992 [0,0,0,0,0,1|2,0,0]=3 687 B10R0.7 CCCC(=O)NC(C)(C)CO 240690a_100000210608_100000211992 [0,0,0,0,0,1|3,0,0]=4 688 B10R0.7 CCCC(=O)NC(C)(C)CO 527a_100020618417_100000211992 [0,0,0,0,0,1|3,0,0]=4 689 B10R0.7 CCNC(=O)CC(C)(C)CC 11a_100015525214_200000763500 [0,0,0,0,0,1|2,0,0]=3 690 B10R0.7 CCNC(=O)CC(C)(C)CC 240690a_100015525214_200000763500 [0,0,0,0,0,1|2,0,0]=3 691 B10R0.7 CCNC(=O)CC(C)(C)CC 527a_100015525214_200000763500 [0,0,0,0,0,1|2,0,0]=3 692 B10R0.7 CCNC(=O)CC(C)(O)CC 240690a_100015525214_200011219800 [0,0,0,0,0,1|1,0,0]=2 693 B10R0.7 CCNC(=O)CC(C)(O)CC 527a_100015525214_200011219800 [0,0,0,0,0,1|1,0,0]=2 694 B10R0.7 CCNC(=O)NC(C)(C)CC 2708a_100015525214_100000211385 [0,0,0,0,0,1|2,0,0]=3 695 B10R0.7 CCNC(=O)NC(C)(C)CC 273464a_100000211385_100015525214 [0,0,0,0,0,1|2,0,0]=3 696 B10R0.7 CCNC(=O)NC(C)(C)CC 273464a_100015525214_100000211385 [0,0,0,0,0,1|2,0,0]=3 697 B10R0.7 CCNC(=O)NC(C)(C)CC 512a_100000211385_100015525214 [0,0,0,0,0,1|2,0,0]=3 698 B10R0.7 CCNC(=O)NC(C)(C)CC 512a_100015525214_100000211385 [0,0,0,0,0,1|2,0,0]=3 699 B10R0.7 CCNC(=O)NC(C)(C)CO 2708a_100015525214_100000210608 [0,0,0,0,0,1|3,0,0]=4 700 B10R0.7 CCNC(=O)NC(C)(C)CO 273464a_100000210608_100015525214 [0,0,0,0,0,1|3,0,0]=4 701 B10R0.7 CCNC(=O)NC(C)(C)CO 273464a_100015525214_100000210608 [0,0,0,0,0,1|3,0,0]=4 702 B10R0.7 CCNC(=O)NC(C)(C)CO 512a_100000210608_100015525214 [0,0,0,0,0,1|3,0,0]=4 703 B10R0.7 CCOC(=O)CC(C)(C)OC 7a_100000765344_200000210301 [0,0,0,0,0,1|2,0,0]=3 704 B10R0.7 CCOC(=O)CC(C)(C)O[13CH3] 7a_100000765344_200025704644 [0,0,0,0,0,1|2,0,0]=3 705 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [2,0,0,0,0,0|2,0,0]=4 706 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [2,0,0,0,0,0|2,0,0]=4 707 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [2,0,0,0,0,0|2,0,0]=4 708 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [2,0,0,0,0,0|2,0,0]=4 709 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [2,0,0,0,0,0|2,0,0]=4 710 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [2,0,0,0,0,0|1,0,1]=4 711 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [2,0,0,0,0,0|1,0,1]=4 712 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [2,0,0,0,0,0|1,0,1]=4 713 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [2,0,0,0,0,0|1,0,1]=4 714 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [2,0,0,0,0,0|1,0,1]=4 715 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [2,0,0,0,0,0|1,0,1]=4 716 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [2,0,0,0,0,0|0,0,1]=3 717 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [2,0,0,0,0,0|1,0,1]=4 718 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [2,0,0,0,0,0|1,0,1]=4 719 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [2,0,0,0,0,0|1,0,1]=4 720 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [2,0,0,0,0,0|1,0,1]=4 721 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [2,0,0,0,0,0|1,0,1]=4 722 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [2,0,0,0,0,0|1,0,1]=4 723 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [2,0,0,0,0,0|0,0,1]=3 724 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [2,0,0,0,0,0|1,0,1]=4 725 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [2,0,0,0,0,0|1,0,1]=4 726 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [2,0,0,0,0,0|0,0,1]=3 727 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [2,0,0,0,0,0|0,0,1]=3 728 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [2,0,0,0,0,0|1,0,1]=4 729 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [2,0,0,0,0,0|1,0,1]=4 730 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [2,0,0,0,0,0|1,0,1]=4 731 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [2,0,0,0,0,0|0,1,1]=4 732 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [2,0,0,0,0,0|0,1,1]=4 733 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [2,0,0,0,0,0|0,1,1]=4 734 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [2,0,0,0,0,0|0,1,1]=4 735 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [2,0,0,0,0,0|0,1,1]=4 736 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [2,0,0,0,0,0|0,1,1]=4 737 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [2,0,0,0,0,0|1,0,1]=4 738 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [2,0,0,0,0,0|1,0,1]=4 739 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [2,0,0,0,0,0|2,0,0]=4 740 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [2,0,0,0,0,0|2,0,0]=4 741 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [2,0,0,0,0,0|2,0,0]=4 742 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [2,0,0,0,0,0|2,0,0]=4 743 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [2,0,0,0,0,0|2,0,0]=4 744 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [2,0,0,0,0,0|1,0,1]=4 745 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [2,0,0,0,0,0|1,0,0]=3 746 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [2,0,0,0,0,0|1,0,0]=3 747 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [2,0,0,0,0,0|2,0,0]=4 748 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [2,0,0,0,0,0|2,0,0]=4 749 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 750 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 751 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 752 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 753 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [2,0,0,0,0,0|1,0,0]=3 754 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [2,0,0,0,0,0|1,0,0]=3 755 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [2,0,0,0,0,0|1,0,0]=3 756 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [2,0,0,0,0,0|1,0,0]=3 757 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [2,0,0,0,0,0|1,0,0]=3 758 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [2,0,0,0,0,0|2,0,0]=4 759 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [2,0,0,0,0,0|2,0,0]=4 760 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [2,0,0,0,0,0|2,0,0]=4 761 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [2,0,0,0,0,0|2,0,0]=4 762 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [2,0,0,0,0,0|2,0,0]=4 763 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [2,0,0,0,0,0|1,0,0]=3 764 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [2,0,0,0,0,0|1,0,0]=3 765 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [2,0,0,0,0,0|1,0,1]=4 766 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [2,0,0,0,0,0|2,0,0]=4 767 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [2,0,0,0,0,0|2,0,0]=4 768 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [2,0,0,0,0,0|2,0,0]=4 769 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [2,0,0,0,0,0|2,0,0]=4 770 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [2,0,0,0,0,0|2,0,0]=4 771 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [2,0,0,0,0,0|2,0,0]=4 772 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [2,0,0,0,0,0|2,0,0]=4 773 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [2,0,0,0,0,0|2,0,0]=4 774 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [2,0,0,0,0,0|2,0,0]=4 775 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [2,0,0,0,0,0|2,0,0]=4 776 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [2,0,0,0,0,0|2,0,0]=4 777 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [2,0,0,0,0,0|2,0,0]=4 778 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [2,0,0,0,0,0|2,0,0]=4 779 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [2,0,0,0,0,0|2,0,0]=4 780 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [2,0,0,0,0,0|2,0,0]=4 781 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [2,0,0,0,0,0|1,0,1]=4 782 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [2,0,0,0,0,0|1,0,1]=4 783 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [2,0,0,0,0,0|1,0,0]=3 784 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [2,0,0,0,0,0|2,0,0]=4 785 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [2,0,0,0,0,0|2,0,0]=4 786 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [2,0,0,0,0,0|2,0,0]=4 787 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 788 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 789 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [2,0,0,0,0,0|2,0,0]=4 790 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [2,0,0,0,0,0|2,0,0]=4 791 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [2,0,0,0,0,0|2,0,0]=4 792 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [2,0,0,0,0,0|2,0,0]=4 793 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [2,0,0,0,0,0|2,0,0]=4 794 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [2,0,0,0,0,0|2,0,0]=4 795 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 796 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 797 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 798 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [2,0,0,0,0,0|2,0,0]=4 799 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 800 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [2,0,0,0,0,0|1,0,1]=4 801 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 802 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [2,0,0,0,0,0|2,0,0]=4 803 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [2,0,0,0,0,0|2,0,0]=4 804 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 805 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [2,0,0,0,0,0|2,0,0]=4 806 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 807 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [2,0,0,0,0,0|2,0,0]=4 808 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 809 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 810 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [2,0,0,0,0,0|2,0,0]=4 811 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 812 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 813 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 814 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 815 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [2,0,0,0,0,0|2,0,0]=4 816 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [2,0,0,0,0,0|2,0,0]=4 817 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [2,0,0,0,0,0|2,0,0]=4 818 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [2,0,0,0,0,0|2,0,0]=4 819 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 820 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 821 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 822 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 823 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [2,0,0,0,0,0|1,0,0]=3 824 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 825 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [2,0,0,0,0,0|1,0,0]=3 826 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [2,0,0,0,0,0|1,0,0]=3 827 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [2,0,0,0,0,0|1,0,0]=3 828 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [2,0,0,0,0,0|1,0,0]=3 829 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [2,0,0,0,0,0|1,0,0]=3 830 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [2,0,0,0,0,0|0,0,2]=4 831 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [2,0,0,0,0,0|0,0,2]=4 832 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [2,0,0,0,0,0|0,0,2]=4 833 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [2,0,0,0,0,0|0,0,2]=4 834 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [2,0,0,0,0,0|0,0,2]=4 835 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [2,0,0,0,0,0|1,0,1]=4 836 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [2,0,0,0,0,0|1,0,1]=4 837 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [2,0,0,0,0,0|0,0,0]=2 838 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [2,0,0,0,0,0|0,0,0]=2 839 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [2,0,0,0,0,0|1,0,0]=3 840 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [2,0,0,0,0,0|1,0,0]=3 841 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [2,0,0,0,0,0|1,0,0]=3 842 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [2,0,0,0,0,0|1,0,0]=3 843 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [2,0,0,0,0,0|1,0,0]=3 844 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [2,0,0,0,0,0|1,0,0]=3 845 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [2,0,0,0,0,0|1,0,0]=3 846 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [2,0,0,0,0,0|1,0,0]=3 847 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [2,0,0,0,0,0|0,0,0]=2 848 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [2,0,0,0,0,0|1,0,0]=3 849 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [2,0,0,0,0,0|1,0,0]=3 850 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [2,0,0,0,0,0|1,0,0]=3 851 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [2,0,0,0,0,0|1,0,0]=3 852 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [2,0,0,0,0,0|1,0,0]=3 853 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [2,0,0,0,0,0|1,0,0]=3 854 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [2,0,0,0,0,0|1,0,0]=3 855 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [2,0,0,0,0,0|1,0,0]=3 856 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [2,0,0,0,0,0|1,0,0]=3 857 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [2,0,0,0,0,0|1,0,0]=3 858 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [2,0,0,0,0,0|1,0,0]=3 859 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [2,0,0,0,0,0|1,0,1]=4 860 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [2,0,0,0,0,0|1,0,1]=4 861 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [2,0,0,0,0,0|2,0,0]=4 862 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [2,0,0,0,0,0|2,0,0]=4 863 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [2,0,0,0,0,0|2,0,0]=4 864 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [2,0,0,0,0,0|2,0,0]=4 865 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [2,0,0,0,0,0|2,0,0]=4 866 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [2,0,0,0,0,0|2,0,0]=4 867 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [2,0,0,0,0,0|2,0,0]=4 868 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [2,0,0,0,0,0|2,0,0]=4 869 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [2,0,0,0,0,0|1,0,0]=3 870 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [2,0,0,0,0,0|1,0,0]=3 871 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [2,0,0,0,0,0|2,0,0]=4 872 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [2,0,0,0,0,0|2,0,0]=4 873 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [2,0,0,0,0,0|2,0,0]=4 874 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [2,0,0,0,0,0|2,0,0]=4 875 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [2,0,0,0,0,0|2,0,0]=4 876 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [2,0,0,0,0,0|2,0,0]=4 877 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [2,0,0,0,0,0|2,0,0]=4 878 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [2,0,0,0,0,0|2,0,0]=4 879 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [2,0,0,0,0,0|2,0,0]=4 880 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [2,0,0,0,0,0|2,0,0]=4 881 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [2,0,0,0,0,0|2,0,0]=4 882 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [2,0,0,0,0,0|2,0,0]=4 883 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [2,0,0,0,0,0|2,0,0]=4 884 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [2,0,0,0,0,0|2,0,0]=4 885 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [2,0,0,0,0,0|2,0,0]=4 886 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [2,0,0,0,0,0|2,0,0]=4 887 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [2,0,0,0,0,0|2,0,0]=4 888 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [2,0,0,0,0,0|2,0,0]=4 889 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [2,0,0,0,0,0|2,0,0]=4 890 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [2,0,0,0,0,0|2,0,0]=4 891 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [2,0,0,0,0,0|2,0,0]=4 892 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [2,0,0,0,0,0|2,0,0]=4 893 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [2,0,0,0,0,0|2,0,0]=4 894 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [2,0,0,0,0,0|2,0,0]=4 895 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [2,0,0,0,0,0|2,0,0]=4 896 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [2,0,0,0,0,0|1,0,0]=3 897 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [2,0,0,0,0,0|1,0,0]=3 898 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [2,0,0,0,0,0|1,0,0]=3 899 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [2,0,0,0,0,0|1,0,0]=3 900 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [2,0,0,0,0,0|1,0,0]=3 901 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [2,0,0,0,0,0|1,0,0]=3 902 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [2,0,0,0,0,0|1,0,0]=3 903 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [2,0,0,0,0,0|1,0,0]=3 904 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [2,0,0,0,0,0|1,0,0]=3 905 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [2,0,0,0,0,0|1,0,0]=3 906 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [2,0,0,0,0,0|2,0,0]=4 907 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [2,0,0,0,0,0|2,0,0]=4 908 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [2,0,0,0,0,0|2,0,0]=4 909 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [2,0,0,0,0,0|1,0,1]=4 910 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [2,0,0,0,0,0|1,0,1]=4 911 B7R0.11 CCC(C)(C)OCF 7a_100000210230_100015361967 [2,0,0,0,0,0|2,0,0]=4 912 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [2,0,0,0,0,0|2,0,0]=4 913 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [2,0,0,0,0,0|1,0,0]=3 914 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [2,0,0,0,0,0|2,0,0]=4 915 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [2,0,0,0,0,0|1,1,0]=4 916 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [2,0,0,0,0,0|1,1,0]=4 917 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [2,0,0,0,0,0|2,0,0]=4 918 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [2,0,0,0,0,0|2,0,0]=4 919 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [2,0,0,0,0,0|2,0,0]=4 920 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [2,0,0,0,0,0|2,0,0]=4 921 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [2,0,0,0,0,0|2,0,0]=4 922 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [2,0,0,0,0,0|2,0,0]=4 923 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [2,0,0,0,0,0|2,0,0]=4 924 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [2,0,0,0,0,0|2,0,0]=4 925 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [2,0,0,0,0,0|1,0,0]=3 926 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [2,0,0,0,0,0|1,0,0]=3 927 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [2,0,0,0,0,0|0,0,0]=2 928 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [2,0,0,0,0,0|0,0,0]=2 929 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [2,0,0,0,0,0|2,0,0]=4 930 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [2,0,0,0,0,0|2,0,0]=4 931 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [2,0,0,0,0,0|2,0,0]=4 932 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [2,0,0,0,0,0|2,0,0]=4 933 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [2,0,0,0,0,0|2,0,0]=4 934 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [2,0,0,0,0,0|2,0,0]=4 935 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [2,0,0,0,0,0|2,0,0]=4 936 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [2,0,0,0,0,0|2,0,0]=4 937 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [2,0,0,0,0,0|2,0,0]=4 938 B7R0.14 CC(C)(C)C(=O)CF 1458a_106744555173_100015361967 [2,0,0,0,0,0|2,0,0]=4 939 B7R0.14 CC(C)(F)C(=O)CF 1458a_100000765255_100015361967 [2,0,0,0,0,0|2,0,0]=4 940 B7R0.14 CC(C)(O)C(=O)CF 1458a_100000242741_100015361967 [2,0,0,0,0,0|1,0,0]=3 941 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [2,0,0,0,0,0|1,0,0]=3 942 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [2,0,0,0,0,0|1,0,0]=3 943 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [2,0,0,0,0,0|0,0,0]=2 944 B7R0.14 CNC(=O)C(C)(C)C 11a_106832991635_106744555173 [2,0,0,0,0,0|2,0,0]=4 945 B7R0.14 CNC(=O)C(C)(C)C 1626a_100102657272_106744555173 [2,0,0,0,0,0|2,0,0]=4 946 B7R0.14 CNC(=O)C(C)(C)C 240690a_100102657272_106744555173 [2,0,0,0,0,0|2,0,0]=4 947 B7R0.14 CNC(=O)C(C)(C)C 527a_100102657272_106744555173 [2,0,0,0,0,0|2,0,0]=4 948 B7R0.14 CNC(=O)C(C)(C)F 11a_106832991635_100000765255 [2,0,0,0,0,0|2,0,0]=4 949 B7R0.14 CNC(=O)C(C)(C)F 1626a_100102657272_100000765255 [2,0,0,0,0,0|2,0,0]=4 950 B7R0.14 CNC(=O)C(C)(C)F 240690a_100102657272_100000765255 [2,0,0,0,0,0|2,0,0]=4 951 B7R0.14 CNC(=O)C(C)(C)F 527a_100102657272_100000765255 [2,0,0,0,0,0|2,0,0]=4 952 B7R0.14 CNC(=O)C(C)(C)O 240690a_100102657272_100000242741 [2,0,0,0,0,0|1,0,0]=3 953 B7R0.8 CCNCC(C)(C)O 2230a_100000751335_100000210202 [2,0,0,0,0,0|1,0,1]=4 954 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [2,0,0,0,0,0|1,0,1]=4 955 B7R0.8 CCOCC(C)(C)F 34a_100000716592_100000210202 [2,0,0,0,0,0|1,0,1]=4 956 B7R0.8 CCOCC(C)(C)F 34a_100121572206_100011997219 [2,0,0,0,0,0|1,0,1]=4 957 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [2,0,0,0,0,0|0,0,1]=3 958 B7R0.8 CCSCC(C)(C)O 62a_100000210202_100000764493 [2,0,0,0,0,0|0,1,1]=4 959 B7R0.8 CCSCC(C)(C)O 62a_100000764493_100000210202 [2,0,0,0,0,0|0,1,1]=4 960 B9R0.6 CC(C)C(C)C(=O)CCF 1458a_100000755409_100011217306 [1,1,0,0,0,0|2,0,0]=4 961 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [1,1,0,0,0,0|2,0,0]=4 962 B9R0.6 CC(C)[C@@H](O)C(=O)CCF 1458a_100000691806_100011217306 [1,1,0,0,0,0|2,0,0]=4 963 B9R0.6 CC(C)[C@@H](O)C(=O)CCO 1458a_100000691806_100000211926 [1,1,0,0,0,0|2,0,0]=4 964 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [1,1,0,0,0,0|1,0,1]=4 965 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [1,1,0,0,0,0|1,0,0]=3 966 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 967 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 968 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 969 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 970 B9R0.6 CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210303 [1,1,0,0,0,0|2,0,0]=4 971 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [1,1,0,0,0,0|1,0,0]=3 972 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [1,1,0,0,0,0|1,0,1]=4 973 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [1,1,0,0,0,0|1,0,0]=3 974 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [1,1,0,0,0,0|1,0,0]=3 975 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [1,1,0,0,0,0|1,0,0]=3 976 B9R0.6 CCNC(=O)C(C)N(C)C 2230a_100102631434_100000230173 [1,1,0,0,0,0|2,0,0]=4 977 B9R0.6 CCNC(=O)C(C)N(C)C 269982a_100102631434_100000230173 [1,1,0,0,0,0|2,0,0]=4 978 B9R0.6 CCNC(=O)N(C)C(C)C 2708a_100015525214_200000211004 [1,1,0,0,0,0|2,0,0]=4 979 B9R0.6 CCNC(=O)N(C)C(C)C 273464a_100015525214_200000211004 [1,1,0,0,0,0|2,0,0]=4 980 B9R0.6 CCNC(=O)[C@H](C)N(C)C 240690a_100015525214_100009822176 [1,1,0,0,0,0|2,0,0]=4 981 B9R0.6 CCNC(=O)[C@H](C)N(C)C 527a_100015525214_100009822176 [1,1,0,0,0,0|2,0,0]=4 982 B9R0.6 CCNC(=O)[C@H](O)C(C)C 240690a_100015525214_100000691806 [1,1,0,0,0,0|1,0,0]=3 983 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [1,1,0,0,0,0|0,0,1]=3 984 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [1,1,0,0,0,0|0,0,1]=3 985 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [1,1,0,0,0,0|0,0,1]=3 986 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [1,1,0,0,0,0|1,0,0]=3 987 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [1,1,0,0,0,0|1,0,0]=3 988 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [1,1,0,0,0,0|1,0,1]=4 989 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [1,1,0,0,0,0|2,0,0]=4 990 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [1,1,0,0,0,0|2,0,0]=4 991 B9R0.6 CNNC(=O)C(C)C(C)C 22a_100016993582_100000755409 [1,1,0,0,0,0|2,0,0]=4 992 B9R0.6 CNNC(=O)[C@H](O)C(C)C 22a_100016993582_100000691806 [1,1,0,0,0,0|2,0,0]=4 993 B9R0.8 C#CC(C)C(=O)COCC 1458a_100000211967_200000035995 [1,1,0,0,0,0|0,0,2]=4 994 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100000692101_100000758301 [1,1,0,0,0,0|1,0,1]=4 995 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100011192722_100000753159 [1,1,0,0,0,0|1,0,1]=4 996 B9R0.8 C#CCCC(=O)C(O)CC 1458a_100011196387_100000753159 [1,1,0,0,0,0|1,0,1]=4 997 B9R0.8 C#CCNC(=O)C(C)CC 11a_100000212058_100011192722 [1,1,0,0,0,0|1,0,1]=4 998 B9R0.8 C#CCNC(=O)C(C)CC 1626a_100000212058_100011192722 [1,1,0,0,0,0|1,0,1]=4 999 B9R0.8 C#CCNC(=O)C(C)CC 240690a_100000212058_100011192722 [1,1,0,0,0,0|1,0,1]=4 1000 B9R0.8 C#CCNC(=O)C(C)CC 527a_100000212058_100011192722 [1,1,0,0,0,0|1,0,1]=4 1001 B9R0.8 C#CCNC(=O)C(O)CC 240690a_100000212058_100011196387 [1,1,0,0,0,0|1,0,1]=4 1002 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [1,1,0,0,0,0|1,0,1]=4 1003 B9R0.8 C/C=C/CC(=O)C(O)CC 1458a_100011196387_100102629194 [1,1,0,0,0,0|1,0,1]=4 1004 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [1,1,0,0,0,0|1,0,1]=4 1005 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [1,1,0,0,0,0|1,0,1]=4 1006 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [1,1,0,0,0,0|1,0,1]=4 1007 B9R0.8 C=CCNC(=O)C(C)CC 1626a_100020586998_100011192722 [1,1,0,0,0,0|1,0,1]=4 1008 B9R0.8 C=CCNC(=O)C(C)CC 240690a_100020586998_100011192722 [1,1,0,0,0,0|1,0,1]=4 1009 B9R0.8 C=CCNC(=O)C(C)CC 527a_100020586998_100011192722 [1,1,0,0,0,0|1,0,1]=4 1010 B9R0.8 C=CCNC(=O)C(O)CC 240690a_100020586998_100011196387 [1,1,0,0,0,0|1,0,1]=4 1011 B9R0.8 CC#CCC(=O)C(C)CC 1458a_100011192722_100000748600 [1,1,0,0,0,0|1,0,1]=4 1012 B9R0.8 CC#CCC(=O)C(O)CC 1458a_100011196387_100000748600 [1,1,0,0,0,0|1,0,1]=4 1013 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [1,1,0,0,0,0|1,0,1]=4 1014 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [1,1,0,0,0,0|1,0,1]=4 1015 B9R0.8 CC=CCC(=O)C(O)CC 1458a_100011196387_100000070051 [1,1,0,0,0,0|1,0,1]=4 1016 B9R0.8 CC=NNC(=O)C(C)CC 4a_100000740736_200000210099 [1,1,0,0,0,0|1,0,1]=4 1017 B9R0.8 CCC#CC(=O)C(C)CC 1458a_100011827653_100000758301 [1,1,0,0,0,0|1,0,0]=3 1018 B9R0.8 CCC(C)C(=O)C#CCO 1458a_100000049017_100000758301 [1,1,0,0,0,0|1,0,1]=4 1019 B9R0.8 CCC(C)C(=O)C=COC 1458a_100016268678_100000758301 [1,1,0,0,0,0|1,0,1]=4 1020 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011192722_100011215226 [1,1,0,0,0,0|1,0,1]=4 1021 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011934036_100000758301 [1,1,0,0,0,0|1,0,1]=4 1022 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [1,1,0,0,0,0|1,0,0]=3 1023 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [1,1,0,0,0,0|1,0,0]=3 1024 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [1,1,0,0,0,0|1,0,0]=3 1025 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [1,1,0,0,0,0|1,0,0]=3 1026 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [1,1,0,0,0,0|1,0,0]=3 1027 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [1,1,0,0,0,0|1,0,0]=3 1028 B9R0.8 CCC(C)C(=O)NCC#N 1626a_100000734998_100011192722 [1,1,0,0,0,0|1,0,1]=4 1029 B9R0.8 CCC(C)C(=O)NCC#N 527a_100000734998_100011192722 [1,1,0,0,0,0|1,0,1]=4 1030 B9R0.8 CCC(C)C(=O)NCCF 11a_100000724931_100011192722 [1,1,0,0,0,0|1,0,0]=3 1031 B9R0.8 CCC(C)C(=O)NCCF 1626a_100000724931_100011192722 [1,1,0,0,0,0|1,0,0]=3 1032 B9R0.8 CCC(C)C(=O)NCCF 240690a_100000724931_100011192722 [1,1,0,0,0,0|1,0,0]=3 1033 B9R0.8 CCC(C)C(=O)NCCF 527a_100000724931_100011192722 [1,1,0,0,0,0|1,0,0]=3 1034 B9R0.8 CCC(C)C(=O)NCCO 240690a_100000210304_100011192722 [1,1,0,0,0,0|1,0,0]=3 1035 B9R0.8 CCC(C)C(=O)NCCO 527a_100000210304_100011192722 [1,1,0,0,0,0|1,0,0]=3 1036 B9R0.8 CCC(C)C(C)OCCF 7a_100011215189_100011217306 [1,1,0,0,0,0|1,0,1]=4 1037 B9R0.8 CCC(C)C(C)OCCO 7a_100011215189_100000211926 [1,1,0,0,0,0|1,0,1]=4 1038 B9R0.8 CCC(O)C(=O)CCC#N 1458a_100011196387_100011215226 [1,1,0,0,0,0|1,0,1]=4 1039 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [1,1,0,0,0,0|1,0,0]=3 1040 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [1,1,0,0,0,0|1,0,0]=3 1041 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [1,1,0,0,0,0|1,0,0]=3 1042 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [1,1,0,0,0,0|1,0,0]=3 1043 B9R0.8 CCC(O)C(=O)NCCF 240690a_100000724931_100011196387 [1,1,0,0,0,0|1,0,0]=3 1044 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [1,1,0,0,0,0|1,0,0]=3 1045 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [1,1,0,0,0,0|1,0,0]=3 1046 B9R0.8 CCC=CC(=O)N(C)CC 11a_100000225621_100000212282 [1,1,0,0,0,0|2,0,0]=4 1047 B9R0.8 CCC=CC(=O)N(C)CC 1626a_100000225621_100000212282 [1,1,0,0,0,0|2,0,0]=4 1048 B9R0.8 CCC=CC(=O)N(C)CC 240690a_100000225621_100000212282 [1,1,0,0,0,0|2,0,0]=4 1049 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [1,1,0,0,0,0|1,0,0]=3 1050 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [1,1,0,0,0,0|1,0,0]=3 1051 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [1,1,0,0,0,0|2,0,0]=4 1052 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [1,1,0,0,0,0|2,0,0]=4 1053 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [1,1,0,0,0,0|1,0,0]=3 1054 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [1,1,0,0,0,0|2,0,0]=4 1055 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [1,1,0,0,0,0|2,0,0]=4 1056 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [1,1,0,0,0,0|2,0,0]=4 1057 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [1,1,0,0,0,0|2,0,0]=4 1058 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [1,1,0,0,0,0|2,0,0]=4 1059 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 1060 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 1061 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 1062 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 1063 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [1,1,0,0,0,0|2,0,0]=4 1064 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [1,1,0,0,0,0|2,0,0]=4 1065 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [1,1,0,0,0,0|2,0,0]=4 1066 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [1,1,0,0,0,0|2,0,0]=4 1067 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [1,1,0,0,0,0|2,0,0]=4 1068 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [1,1,0,0,0,0|2,0,0]=4 1069 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [1,1,0,0,0,0|2,0,0]=4 1070 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 1071 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 1072 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 1073 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [1,1,0,0,0,0|2,0,0]=4 1074 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 1075 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 1076 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 1077 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 1078 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 1079 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [1,1,0,0,0,0|2,0,0]=4 1080 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [1,1,0,0,0,0|2,0,0]=4 1081 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [1,1,0,0,0,0|2,0,0]=4 1082 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [1,1,0,0,0,0|2,0,0]=4 1083 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [1,1,0,0,0,0|1,0,0]=3 1084 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [1,1,0,0,0,0|2,0,0]=4 1085 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [1,1,0,0,0,0|2,0,0]=4 1086 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [1,1,0,0,0,0|2,0,0]=4 1087 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [1,1,0,0,0,0|1,0,0]=3 1088 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [1,1,0,0,0,0|1,0,0]=3 1089 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [1,1,0,0,0,0|1,0,0]=3 1090 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [1,1,0,0,0,0|1,0,0]=3 1091 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [1,1,0,0,0,0|1,0,0]=3 1092 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [1,1,0,0,0,0|1,0,0]=3 1093 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [1,1,0,0,0,0|1,0,0]=3 1094 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [1,1,0,0,0,0|1,0,0]=3 1095 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [1,1,0,0,0,0|1,0,0]=3 1096 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [1,1,0,0,0,0|1,0,0]=3 1097 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [1,1,0,0,0,0|1,0,0]=3 1098 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [1,1,0,0,0,0|1,0,0]=3 1099 B9R0.8 CCCOC(C)C(C)CC 7a_100011215189_100000210303 [1,1,0,0,0,0|1,0,1]=4 1100 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 1101 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 1102 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 1103 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 1104 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 1105 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 1106 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 1107 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 1108 B9R0.8 CCN(C)C(=O)NCCF 273464a_100000724931_100000225621 [1,1,0,0,0,0|2,0,0]=4 1109 B9R0.8 CCN(C)C(=O)NCCO 273464a_100000210304_100000225621 [1,1,0,0,0,0|2,0,0]=4 1110 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [1,1,0,0,0,0|2,0,0]=4 1111 B9R0.8 CCNN=C(C)C(C)CC 4a_100000756455_100000210599 [1,1,0,0,0,0|2,0,0]=4 1112 B9R0.8 CCNNC(=O)C(C)CC 22a_100000756455_100011192722 [1,1,0,0,0,0|1,0,0]=3 1113 B9R0.8 CCNNC(=O)C(C)OC 22a_100000756455_100000743197 [1,1,0,0,0,0|2,0,0]=4 1114 B9R0.8 CCNNC(=O)C(C)SC 22a_100000756455_100000149566 [1,1,0,0,0,0|2,0,0]=4 1115 B9R0.8 CCNNC(=O)C(O)CC 22a_100000756455_100011196387 [1,1,0,0,0,0|1,0,0]=3 1116 B9R0.8 CCNNC(=O)C(O)CO 22a_100000756455_100011215603 [1,1,0,0,0,0|2,0,0]=4 1117 B9R0.8 CCOCC(=O)C(C)C#N 1458a_100000211967_100000703298 [1,1,0,0,0,0|1,0,1]=4 1118 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [1,1,0,0,0,0|0,0,0]=2 1119 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [1,1,0,0,0,0|1,0,0]=3 1120 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [1,1,0,0,0,0|1,0,0]=3 1121 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [1,1,0,0,0,0|1,0,0]=3 1122 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [1,1,0,0,0,0|1,0,0]=3 1123 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [1,1,0,0,0,0|1,0,0]=3 1124 B9R0.8 CCOCN(C)C(C)CC 269982a_100000741768_100000739092 [1,1,0,0,0,0|2,0,0]=4 1125 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [1,1,0,0,0,0|0,1,0]=3 1126 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [1,1,0,0,0,0|1,1,0]=4 1127 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [1,1,0,0,0,0|1,1,0]=4 1128 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [1,1,0,0,0,0|1,1,0]=4 1129 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [1,1,0,0,0,0|1,1,0]=4 1130 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [1,1,0,0,0,0|1,1,0]=4 1131 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [1,1,0,0,0,0|1,1,0]=4 1132 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [1,1,0,0,0,0|2,0,0]=4 1133 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [1,1,0,0,0,0|2,0,0]=4 1134 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [1,1,0,0,0,0|2,0,0]=4 1135 B9R0.8 COC(C)C(=O)NCCF 11a_100000724931_100000743197 [1,1,0,0,0,0|2,0,0]=4 1136 B9R0.8 COC(C)C(=O)NCCF 1626a_100000724931_100000743197 [1,1,0,0,0,0|2,0,0]=4 1137 B9R0.8 COC(C)C(=O)NCCF 240690a_100000724931_100000743197 [1,1,0,0,0,0|2,0,0]=4 1138 B9R0.8 COC(C)C(=O)NCCF 527a_100000724931_100000743197 [1,1,0,0,0,0|2,0,0]=4 1139 B9R0.8 COC(C)C(=O)NCCO 240690a_100000210304_100000743197 [1,1,0,0,0,0|2,0,0]=4 1140 B9R0.8 COC(C)C(=O)NCCO 527a_100000210304_100000743197 [1,1,0,0,0,0|2,0,0]=4 1141 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [1,1,0,0,0,0|2,0,0]=4 1142 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [1,1,0,0,0,0|2,0,0]=4 1143 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [1,1,0,0,0,0|2,0,0]=4 1144 B9R0.8 CSC(C)C(=O)CCCF 1458a_100000149566_100011934791 [1,1,0,0,0,0|2,0,0]=4 1145 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [1,1,0,0,0,0|2,0,0]=4 1146 B9R0.8 CSC(C)C(=O)NCCF 11a_100000724931_100000149566 [1,1,0,0,0,0|2,0,0]=4 1147 B9R0.8 CSC(C)C(=O)NCCF 1626a_100000724931_100000149566 [1,1,0,0,0,0|2,0,0]=4 1148 B9R0.8 CSC(C)C(=O)NCCF 240690a_100000724931_100000149566 [1,1,0,0,0,0|2,0,0]=4 1149 B9R0.8 CSC(C)C(=O)NCCF 527a_100000724931_100000149566 [1,1,0,0,0,0|2,0,0]=4 1150 B9R0.8 CSC(C)C(=O)NCCO 240690a_100000210304_100000149566 [1,1,0,0,0,0|2,0,0]=4 1151 B9R0.8 CSC(C)C(=O)NCCO 527a_100000210304_100000149566 [1,1,0,0,0,0|2,0,0]=4 1152 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [1,1,0,0,0,0|2,0,0]=4 1153 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [1,1,0,0,0,0|2,0,0]=4 1154 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [1,1,0,0,0,0|2,0,0]=4 1155 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [1,1,0,0,0,0|2,0,0]=4 1156 B9R0.8 O=C(NCCF)C(O)CO 240690a_100000724931_100011215603 [1,1,0,0,0,0|2,0,0]=4 1157 B9R0.8 O=C(NCCO)C(O)CO 240690a_100000210304_100011215603 [1,1,0,0,0,0|2,0,0]=4 1158 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [1,1,0,0,0,0|1,0,1]=4 1159 B9R0.23 C=C(C)CC(=O)C(O)CC 1458a_100011196387_100000748629 [1,1,0,0,0,0|1,0,1]=4 1160 B9R0.23 CC(C)CC(=O)C(O)CO 1458a_100011215603_100000210624 [1,1,0,0,0,0|2,0,0]=4 1161 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 2230a_100015205314_200025704644 [1,1,0,0,0,0|2,0,0]=4 1162 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 34a_100015205314_200025704644 [1,1,0,0,0,0|2,0,0]=4 1163 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_100000195394_200025704644 [1,1,0,0,0,0|2,0,0]=4 1164 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_200025704644_100000195394 [1,1,0,0,0,0|2,0,0]=4 1165 B9R0.23 CC(C)NC(=O)C(O)CO 240690a_100138425928_100011215603 [1,1,0,0,0,0|2,0,0]=4 1166 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 34a_100015307928_200025704644 [1,1,0,0,0,0|1,0,0]=3 1167 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 7a_100015307928_200025704644 [1,1,0,0,0,0|1,0,0]=3 1168 B9R0.23 CC(O)CC(=O)C(O)CO 1458a_100011215603_100011218427 [1,1,0,0,0,0|2,0,0]=4 1169 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [1,1,0,0,0,0|1,0,1]=4 1170 B9R0.23 CCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000758301 [1,1,0,0,0,0|1,0,1]=4 1171 B9R0.23 CCC(C)C(=O)C=C(C)I 1458a_100025716642_100000758301 [1,1,0,0,0,0|1,0,1]=4 1172 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [1,1,0,0,0,0|1,0,0]=3 1173 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [1,1,0,0,0,0|1,0,0]=3 1174 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [1,1,0,0,0,0|1,0,0]=3 1175 B9R0.23 CCC(C)C(=O)CC(F)F 1458a_100011192722_100011934356 [1,1,0,0,0,0|2,0,0]=4 1176 B9R0.23 CCC(C)C(=O)CN(C)C 1458a_100000750896_100000758301 [1,1,0,0,0,0|2,0,0]=4 1177 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [1,1,0,0,0,0|1,0,0]=3 1178 B9R0.23 CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000758301 [1,1,0,0,0,0|2,0,0]=4 1179 B9R0.23 CCC(C)C(=O)NC(C)C 11a_100138425928_100011192722 [1,1,0,0,0,0|1,0,0]=3 1180 B9R0.23 CCC(C)C(=O)NC(C)C 1626a_100138425928_100011192722 [1,1,0,0,0,0|1,0,0]=3 1181 B9R0.23 CCC(C)C(=O)NC(C)C 240690a_100138425928_100011192722 [1,1,0,0,0,0|1,0,0]=3 1182 B9R0.23 CCC(C)C(=O)NC(C)C 527a_100138425928_100011192722 [1,1,0,0,0,0|1,0,0]=3 1183 B9R0.23 CCC(C)C(C)OC(C)C 7a_100011215189_100000210206 [1,1,0,0,0,0|1,0,1]=4 1184 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [1,1,0,0,0,0|1,0,0]=3 1185 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [1,1,0,0,0,0|1,0,0]=3 1186 B9R0.23 CCC(O)C(=O)CC(F)F 1458a_100011196387_100011934356 [1,1,0,0,0,0|2,0,0]=4 1187 B9R0.23 CCC(O)C(=O)NC(C)C 240690a_100138425928_100011196387 [1,1,0,0,0,0|1,0,0]=3 1188 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 1189 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 1190 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 1191 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 1192 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [1,1,0,0,0,0|2,0,0]=4 1193 B9R0.23 CCN(C)C(=O)NC(C)C 2708a_100138425928_100000225621 [1,1,0,0,0,0|2,0,0]=4 1194 B9R0.23 CCN(C)C(=O)NC(C)C 273464a_100138425928_100000225621 [1,1,0,0,0,0|2,0,0]=4 1195 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_100015205314_200000210301 [1,1,0,0,0,0|2,0,0]=4 1196 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_106832991635_100000195394 [1,1,0,0,0,0|2,0,0]=4 1197 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100015205314_200000210301 [1,1,0,0,0,0|2,0,0]=4 1198 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100102657272_100000195394 [1,1,0,0,0,0|2,0,0]=4 1199 B9R0.23 CNC(C)C(=O)NC(C)C 7a_106832991635_100000195394 [1,1,0,0,0,0|2,0,0]=4 1200 B9R0.23 COC(C)C(=O)CC(C)C 1458a_100000743197_100000210624 [1,1,0,0,0,0|2,0,0]=4 1201 B9R0.23 COC(C)C(=O)CC(C)O 1458a_100000743197_100011218427 [1,1,0,0,0,0|2,0,0]=4 1202 B9R0.23 COC(C)C(=O)NC(C)C 11a_100138425928_100000743197 [1,1,0,0,0,0|2,0,0]=4 1203 B9R0.23 COC(C)C(=O)NC(C)C 1626a_100138425928_100000743197 [1,1,0,0,0,0|2,0,0]=4 1204 B9R0.23 COC(C)C(=O)NC(C)C 240690a_100138425928_100000743197 [1,1,0,0,0,0|2,0,0]=4 1205 B9R0.23 COC(C)C(=O)NC(C)C 34a_100138415774_100000195394 [1,1,0,0,0,0|2,0,0]=4 1206 B9R0.23 COC(C)C(=O)NC(C)C 527a_100138425928_100000743197 [1,1,0,0,0,0|2,0,0]=4 1207 B9R0.23 CO[C@H](C)C(=O)OC(C)C 34a_100015307928_200000210301 [1,1,0,0,0,0|1,0,0]=3 1208 B9R0.23 CO[C@H](C)C(=O)OC(C)C 7a_100015307928_200000210301 [1,1,0,0,0,0|1,0,0]=3 1209 B9R0.23 CSC(C)C(=O)CC(C)C 1458a_100000149566_100000210624 [1,1,0,0,0,0|2,0,0]=4 1210 B9R0.23 CSC(C)C(=O)CC(C)O 1458a_100000149566_100011218427 [1,1,0,0,0,0|2,0,0]=4 1211 B9R0.23 CSC(C)C(=O)NC(C)C 11a_100138425928_100000149566 [1,1,0,0,0,0|2,0,0]=4 1212 B9R0.23 CSC(C)C(=O)NC(C)C 1626a_100138425928_100000149566 [1,1,0,0,0,0|2,0,0]=4 1213 B9R0.23 CSC(C)C(=O)NC(C)C 240690a_100138425928_100000149566 [1,1,0,0,0,0|2,0,0]=4 1214 B9R0.23 CSC(C)C(=O)NC(C)C 527a_100138425928_100000149566 [1,1,0,0,0,0|2,0,0]=4 1215 B9R0.23 CSC(C)C(=O)NC(C)C 62a_100000195394_200000210301 [1,1,0,0,0,0|2,0,0]=4 1216 B9R0.23 CSC(C)C(=O)NC(C)C 62a_200000210301_100000195394 [1,1,0,0,0,0|2,0,0]=4 1217 B9R0.27 C/C=C(\C)/C(=O)C(C)CC 1458a_100020587367_100000758301 [1,1,0,0,0,0|1,0,1]=4 1218 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [1,1,0,0,0,0|2,0,0]=4 1219 B9R0.27 CCC(C)C(=O)C(C)CC 1458a_100011192722_100000758301 [1,1,0,0,0,0|1,0,0]=3 1220 B9R0.27 CCC(C)C(=O)C(C)OC 1458a_100000743197_100000758301 [1,1,0,0,0,0|2,0,0]=4 1221 B9R0.27 CCC(C)C(=O)C(C)SC 1458a_100000149566_100000758301 [1,1,0,0,0,0|2,0,0]=4 1222 B9R0.27 CCC(C)C(=O)C(O)CC 1458a_100011196387_100000758301 [1,1,0,0,0,0|1,0,0]=3 1223 B9R0.27 CCC(C)C(=O)C(O)CO 1458a_100011215603_100000758301 [1,1,0,0,0,0|2,0,0]=4 1224 B9R0.27 CCC(C)C(=O)N(C)CC 11a_100000225621_100011192722 [1,1,0,0,0,0|1,0,0]=3 1225 B9R0.27 CCC(C)C(=O)N(C)CC 1626a_100000225621_100011192722 [1,1,0,0,0,0|1,0,0]=3 1226 B9R0.27 CCC(C)C(=O)N(C)CC 240690a_100000225621_100011192722 [1,1,0,0,0,0|1,0,0]=3 1227 B9R0.27 CCC(C)C(=O)N(C)CC 527a_100000225621_100011192722 [1,1,0,0,0,0|1,0,0]=3 1228 B9R0.27 CCC(O)C(=O)N(C)CC 240690a_100000225621_100011196387 [1,1,0,0,0,0|1,0,0]=3 1229 B9R0.27 CCN(C)C(=O)C(C)NC 2230a_106832991635_200012002205 [1,1,0,0,0,0|2,0,0]=4 1230 B9R0.27 CCN(C)C(=O)C(C)NC 34a_100102657272_200012002205 [1,1,0,0,0,0|2,0,0]=4 1231 B9R0.27 CCN(C)C(=O)C(C)NC 7a_106832991635_200012002205 [1,1,0,0,0,0|2,0,0]=4 1232 B9R0.27 CCN(C)C(=O)C(C)OC 11a_100000225621_100000743197 [1,1,0,0,0,0|2,0,0]=4 1233 B9R0.27 CCN(C)C(=O)C(C)OC 1626a_100000225621_100000743197 [1,1,0,0,0,0|2,0,0]=4 1234 B9R0.27 CCN(C)C(=O)C(C)OC 240690a_100000225621_100000743197 [1,1,0,0,0,0|2,0,0]=4 1235 B9R0.27 CCN(C)C(=O)C(C)OC 34a_100138415774_200012002205 [1,1,0,0,0,0|2,0,0]=4 1236 B9R0.27 CCN(C)C(=O)C(C)OC 527a_100000225621_100000743197 [1,1,0,0,0,0|2,0,0]=4 1237 B9R0.27 CCN(C)C(=O)C(C)SC 11a_100000225621_100000149566 [1,1,0,0,0,0|2,0,0]=4 1238 B9R0.27 CCN(C)C(=O)C(C)SC 1626a_100000225621_100000149566 [1,1,0,0,0,0|2,0,0]=4 1239 B9R0.27 CCN(C)C(=O)C(C)SC 240690a_100000225621_100000149566 [1,1,0,0,0,0|2,0,0]=4 1240 B9R0.27 CCN(C)C(=O)C(C)SC 527a_100000225621_100000149566 [1,1,0,0,0,0|2,0,0]=4 1241 B9R0.27 CCN(C)C(=O)C(C)SC 62a_200000210301_200012002205 [1,1,0,0,0,0|2,0,0]=4 1242 B9R0.27 CCN(C)C(=O)C(C)SC 62a_200012002205_200000210301 [1,1,0,0,0,0|2,0,0]=4 1243 B9R0.27 CCN(C)C(=O)C(C)S[13CH3] 62a_200012002205_200025704644 [1,1,0,0,0,0|2,0,0]=4 1244 B9R0.27 CCN(C)C(=O)C(C)S[13CH3] 62a_200025704644_200012002205 [1,1,0,0,0,0|2,0,0]=4 1245 B9R0.27 CCN(C)C(=O)C(O)CO 240690a_100000225621_100011215603 [1,1,0,0,0,0|2,0,0]=4 1246 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [1,1,0,0,0,0|0,0,2]=4 1247 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [1,1,0,0,0,0|0,0,2]=4 1248 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [1,1,0,0,0,0|0,0,2]=4 1249 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [1,1,0,0,0,0|0,0,2]=4 1250 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [1,1,0,0,0,0|0,0,2]=4 1251 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [1,1,0,0,0,0|0,0,2]=4 1252 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [1,1,0,0,0,0|0,0,2]=4 1253 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [1,1,0,0,0,0|1,0,1]=4 1254 B9R0.35 C=CCC(C)C(=O)NCC 11a_100015525214_100011216819 [1,1,0,0,0,0|1,0,1]=4 1255 B9R0.35 C=CCC(C)C(=O)NCC 240690a_100015525214_100011216819 [1,1,0,0,0,0|1,0,1]=4 1256 B9R0.35 C=CCC(C)C(=O)NCC 527a_100015525214_100011216819 [1,1,0,0,0,0|1,0,1]=4 1257 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [1,1,0,0,0,0|1,0,1]=4 1258 B9R0.35 CC#CC(=O)C(C)CCO 1458a_100000763181_100009893172 [1,1,0,0,0,0|1,0,1]=4 1259 B9R0.35 CC#CC(=O)C(C)COC 1458a_100000763181_100000765312 [1,1,0,0,0,0|1,0,1]=4 1260 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [1,1,0,0,0,0|2,0,0]=4 1261 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [1,1,0,0,0,0|1,0,1]=4 1262 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [1,1,0,0,0,0|1,0,1]=4 1263 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [1,1,0,0,0,0|1,0,1]=4 1264 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [1,1,0,0,0,0|1,0,1]=4 1265 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [1,1,0,0,0,0|1,0,1]=4 1266 B9R0.35 CC=CC(=O)C(C)CCO 1458a_100000210699_100009893172 [1,1,0,0,0,0|1,0,1]=4 1267 B9R0.35 CC=CC(=O)C(C)COC 1458a_100000210699_100000765312 [1,1,0,0,0,0|1,0,1]=4 1268 B9R0.35 CCCC(=O)C(C)CC#N 1458a_100000211992_100009813641 [1,1,0,0,0,0|1,0,1]=4 1269 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [1,1,0,0,0,0|1,0,0]=3 1270 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [1,1,0,0,0,0|1,0,0]=3 1271 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [1,1,0,0,0,0|1,0,0]=3 1272 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [1,1,0,0,0,0|1,0,0]=3 1273 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [1,1,0,0,0,0|1,0,0]=3 1274 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [1,1,0,0,0,0|1,0,0]=3 1275 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [1,1,0,0,0,0|1,0,0]=3 1276 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [1,1,0,0,0,0|1,0,0]=3 1277 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 1278 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 1279 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 1280 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 1281 B9R0.35 CCCC(=O)N(C)CCO 240690a_100000210263_100000211992 [1,1,0,0,0,0|2,0,0]=4 1282 B9R0.35 CCCC(=O)N(C)CCO 527a_100000210263_100000211992 [1,1,0,0,0,0|2,0,0]=4 1283 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [1,1,0,0,0,0|1,0,0]=3 1284 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [1,1,0,0,0,0|2,0,0]=4 1285 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [1,1,0,0,0,0|2,0,0]=4 1286 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [1,1,0,0,0,0|2,0,0]=4 1287 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [1,1,0,0,0,0|2,0,0]=4 1288 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [1,1,0,0,0,0|2,0,0]=4 1289 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 1290 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 1291 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 1292 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [1,1,0,0,0,0|2,0,0]=4 1293 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [1,1,0,0,0,0|1,0,1]=4 1294 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [1,1,0,0,0,0|1,0,1]=4 1295 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [1,1,0,0,0,0|2,0,0]=4 1296 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [1,1,0,0,0,0|2,0,0]=4 1297 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [1,1,0,0,0,0|2,0,0]=4 1298 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [1,1,0,0,0,0|2,0,0]=4 1299 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [1,1,0,0,0,0|1,0,0]=3 1300 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [1,1,0,0,0,0|2,0,0]=4 1301 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [1,1,0,0,0,0|0,0,2]=4 1302 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [1,1,0,0,0,0|0,0,2]=4 1303 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [1,1,0,0,0,0|1,0,0]=3 1304 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [1,1,0,0,0,0|1,0,0]=3 1305 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [1,1,0,0,0,0|1,0,0]=3 1306 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [1,1,0,0,0,0|1,0,0]=3 1307 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [1,1,0,0,0,0|1,0,0]=3 1308 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [1,1,0,0,0,0|1,0,0]=3 1309 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [1,1,0,0,0,0|1,0,0]=3 1310 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [1,1,0,0,0,0|1,0,0]=3 1311 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [1,1,0,0,0,0|1,0,0]=3 1312 B9R0.35 CCNC(=O)C(C)NCF 34a_100000736553_100015361967 [1,1,0,0,0,0|2,0,0]=4 1313 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [1,1,0,0,0,0|1,0,0]=3 1314 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [1,1,0,0,0,0|1,0,0]=3 1315 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [1,1,0,0,0,0|1,0,0]=3 1316 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [1,1,0,0,0,0|1,0,0]=3 1317 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [1,1,0,0,0,0|1,0,0]=3 1318 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [1,1,0,0,0,0|1,0,0]=3 1319 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [1,1,0,0,0,0|1,0,0]=3 1320 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [1,1,0,0,0,0|1,0,0]=3 1321 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [1,1,0,0,0,0|1,0,0]=3 1322 B9R0.35 CCNC(=O)C(C)SCF 62a_100000230173_100015361967 [1,1,0,0,0,0|2,0,0]=4 1323 B9R0.35 CCNC(=O)C(C)SCF 62a_100015361967_100000230173 [1,1,0,0,0,0|2,0,0]=4 1324 B9R0.35 CCNC(=O)N(C)CCO 2708a_100015525214_100000210263 [1,1,0,0,0,0|2,0,0]=4 1325 B9R0.35 CCNC(=O)N(C)CCO 273464a_100015525214_100000210263 [1,1,0,0,0,0|2,0,0]=4 1326 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [1,1,0,0,0,0|0,0,0]=2 1327 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [1,1,0,0,0,0|1,0,0]=3 1328 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [1,1,0,0,0,0|0,1,0]=3 1329 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [1,1,0,0,0,0|0,0,2]=4 1330 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [1,1,0,0,0,0|0,0,2]=4 1331 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [1,1,0,0,0,0|0,0,2]=4 1332 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [1,1,0,0,0,0|0,0,2]=4 1333 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [1,1,0,0,0,0|0,0,0]=2 1334 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [1,1,0,0,0,0|0,0,0]=2 1335 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [1,1,0,0,0,0|0,0,0]=2 1336 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [1,1,0,0,0,0|1,0,0]=3 1337 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [1,1,0,0,0,0|1,0,0]=3 1338 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [1,1,0,0,0,0|1,0,0]=3 1339 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [1,1,0,0,0,0|1,0,0]=3 1340 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [1,1,0,0,0,0|1,0,0]=3 1341 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [1,1,0,0,0,0|2,0,0]=4 1342 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [1,1,0,0,0,0|2,0,0]=4 1343 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [1,1,0,0,0,0|0,0,0]=2 1344 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [1,1,0,0,0,0|1,0,0]=3 1345 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [1,1,0,0,0,0|2,0,0]=4 1346 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [1,1,0,0,0,0|2,0,0]=4 1347 B9R0.35 CCOC(C)C(=O)NNC 22a_100016993582_100000739345 [1,1,0,0,0,0|2,0,0]=4 1348 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [1,1,0,0,0,0|2,0,0]=4 1349 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [1,1,0,0,0,0|2,0,0]=4 1350 B9R0.35 CCSC(C)C(=O)NNC 22a_100016993582_100000230601 [1,1,0,0,0,0|2,0,0]=4 1351 B9R0.35 CNNC(=O)C(C)COC 22a_100016993582_100000751857 [1,1,0,0,0,0|2,0,0]=4 1352 B9R0.35 CNNC(=O)C(C)CSC 22a_100016993582_100000753918 [1,1,0,0,0,0|2,0,0]=4 1353 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [1,1,0,0,0,0|2,0,0]=4 1354 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [1,1,0,0,0,0|2,0,0]=4 1355 B9R0.35 COCC(C)C(=O)CCF 1458a_100000751857_100011217306 [1,1,0,0,0,0|2,0,0]=4 1356 B9R0.35 COCC(C)C(=O)CCO 1458a_100000751857_100000211926 [1,1,0,0,0,0|2,0,0]=4 1357 B9R0.35 COCC(C)C(=O)CCO 1458a_100011216618_100000765312 [1,1,0,0,0,0|2,0,0]=4 1358 B9R0.35 COCC(C)C(=O)CSC 1458a_100000184570_100000765312 [1,1,0,0,0,0|2,0,0]=4 1359 B9R0.35 CSCC(=O)C(C)CCO 1458a_100000184570_100009893172 [1,1,0,0,0,0|2,0,0]=4 1360 B9R0.35 CSCC(C)C(=O)CCF 1458a_100000753918_100011217306 [1,1,0,0,0,0|2,0,0]=4 1361 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [1,1,0,0,0,0|2,0,0]=4 1362 B9R0.37 CC#CC(=O)C(CC)CC 1458a_100000763181_100000210505 [1,1,0,0,0,0|1,0,1]=4 1363 B9R0.37 CC=CC(=O)C(CC)CC 1458a_100000210699_100000210505 [1,1,0,0,0,0|1,0,1]=4 1364 B9R0.37 CCC(CC)C(=O)CCF 1458a_100000211163_100011217306 [1,1,0,0,0,0|2,0,0]=4 1365 B9R0.37 CCC(CC)C(=O)CCO 1458a_100000211163_100000211926 [1,1,0,0,0,0|2,0,0]=4 1366 B9R0.37 CCC(CC)C(=O)CCO 1458a_100011216618_100000210505 [1,1,0,0,0,0|2,0,0]=4 1367 B9R0.37 CCC(CC)C(=O)COC 1458a_100000210968_100000210505 [1,1,0,0,0,0|2,0,0]=4 1368 B9R0.37 CCC(CC)C(=O)CSC 1458a_100000184570_100000210505 [1,1,0,0,0,0|2,0,0]=4 1369 B9R0.37 CCC(CC)C(=O)NNC 22a_100016993582_100000211163 [1,1,0,0,0,0|2,0,0]=4 1370 B9R0.37 CCC(OC)C(=O)CCF 1458a_100000747056_100011217306 [1,1,0,0,0,0|2,0,0]=4 1371 B9R0.37 CCC(OC)C(=O)CCO 1458a_100000747056_100000211926 [1,1,0,0,0,0|2,0,0]=4 1372 B9R0.37 CCC(OC)C(=O)NNC 22a_100016993582_100000747056 [1,1,0,0,0,0|2,0,0]=4 1373 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211163_100000210303 [1,1,0,0,0,0|1,0,0]=3 1374 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211992_100000210505 [1,1,0,0,0,0|1,0,0]=3 1375 B9R0.37 CCCC(=O)C(CC)OC 1458a_100000747056_100000210303 [1,1,0,0,0,0|1,0,0]=3 1376 B9R0.37 CCCC(=O)C(OC)OC 1458a_100000046285_100000210303 [1,1,0,0,0,0|2,0,0]=4 1377 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [1,1,0,0,0,0|2,0,0]=4 1378 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [1,1,0,0,0,0|2,0,0]=4 1379 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [1,1,0,0,0,0|2,0,0]=4 1380 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [1,1,0,0,0,0|2,0,0]=4 1381 B9R0.37 CCNC(=O)C(CC)CC 11a_100015525214_100000211163 [1,1,0,0,0,0|1,0,0]=3 1382 B9R0.37 CCNC(=O)C(CC)CC 240690a_100015525214_100000211163 [1,1,0,0,0,0|1,0,0]=3 1383 B9R0.37 CCNC(=O)C(CC)CC 527a_100015525214_100000211163 [1,1,0,0,0,0|1,0,0]=3 1384 B9R0.37 CCNC(=O)C(CC)OC 11a_100015525214_100000747056 [1,1,0,0,0,0|1,0,0]=3 1385 B9R0.37 CCNC(=O)C(CC)OC 240690a_100015525214_100000747056 [1,1,0,0,0,0|1,0,0]=3 1386 B9R0.37 CCNC(=O)C(CC)OC 527a_100015525214_100000747056 [1,1,0,0,0,0|1,0,0]=3 1387 B9R0.37 CCNC(=O)C(OC)OC 11a_100015525214_100000046285 [1,1,0,0,0,0|2,0,0]=4 1388 B9R0.37 CCNC(=O)C(OC)OC 240690a_100015525214_100000046285 [1,1,0,0,0,0|2,0,0]=4 1389 B9R0.37 CCNC(=O)C(OC)OC 527a_100015525214_100000046285 [1,1,0,0,0,0|2,0,0]=4 1390 B9R0.37 CCNC(=O)N(CC)CC 2708a_100015525214_100000724800 [1,1,0,0,0,0|2,0,0]=4 1391 B9R0.37 CCNC(=O)N(CC)CC 273464a_100015525214_100000724800 [1,1,0,0,0,0|2,0,0]=4 1392 B9R0.37 CCOC(=O)C(C=O)SC 62a_100000053139_200000210301 [1,1,0,0,0,0|1,0,1]=4 1393 B9R0.37 CCOC(=O)C(C=O)SC 62a_200000210301_100000053139 [1,1,0,0,0,0|1,0,1]=4 1394 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_100000053139_200025704644 [1,1,0,0,0,0|1,0,1]=4 1395 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_200025704644_100000053139 [1,1,0,0,0,0|1,0,1]=4 1396 B9R0.37 CCOC(=O)C(CC)NC 2230a_106832991635_100000212269 [1,1,0,0,0,0|0,0,0]=2 1397 B9R0.37 CCOC(=O)C(CC)NC 34a_100102657272_100000212269 [1,1,0,0,0,0|0,0,0]=2 1398 B9R0.37 CCOC(=O)C(CC)NC 7a_106832991635_100000212269 [1,1,0,0,0,0|0,0,0]=2 1399 B9R0.37 CCOC(=O)C(CC)OC 34a_100011216719_200000210301 [1,1,0,0,0,0|0,0,0]=2 1400 B9R0.37 CCOC(=O)C(CC)OC 34a_100138415774_100000212269 [1,1,0,0,0,0|0,0,0]=2 1401 B9R0.37 CCOC(=O)C(CC)OC 7a_100011216719_200000210301 [1,1,0,0,0,0|0,0,0]=2 1402 B9R0.37 CCOC(=O)C(CC)O[13CH3] 34a_100011216719_200025704644 [1,1,0,0,0,0|0,0,0]=2 1403 B9R0.37 CCOC(=O)C(CC)O[13CH3] 7a_100011216719_200025704644 [1,1,0,0,0,0|0,0,0]=2 1404 B9R0.37 CCOC(=O)C(CC)SC 62a_100000212269_200000210301 [1,1,0,0,0,0|0,0,0]=2 1405 B9R0.37 CCOC(=O)C(CC)SC 62a_200000210301_100000212269 [1,1,0,0,0,0|0,0,0]=2 1406 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_100000212269_200025704644 [1,1,0,0,0,0|0,0,0]=2 1407 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_200025704644_100000212269 [1,1,0,0,0,0|0,0,0]=2 1408 B9R0.37 CCOC(=O)C(NC)SC 34a_100102657272_100009893047 [1,1,0,0,0,0|1,0,0]=3 1409 B9R0.37 CCOC(=O)C(OC)SC 34a_100138415774_100009893047 [1,1,0,0,0,0|1,0,0]=3 1410 B9R0.37 CCOC(=O)C(SC)SC 62a_100009893047_200000210301 [1,1,0,0,0,0|1,0,0]=3 1411 B9R0.37 CCOC(=O)C(SC)SC 62a_200000210301_100009893047 [1,1,0,0,0,0|1,0,0]=3 1412 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_100009893047_200025704644 [1,1,0,0,0,0|1,0,0]=3 1413 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_200025704644_100009893047 [1,1,0,0,0,0|1,0,0]=3 1414 B9R0.60 CCNS(=O)(=O)C(C)CC 270084a_100015525214_100000685195 [1,1,0,0,0,0|2,0,0]=4 1415 B9R0.60 CCNS(=O)(=O)C(C)CC 274078a_100015525214_100000685195 [1,1,0,0,0,0|2,0,0]=4 1416 B9R0.28 CCC(=O)C(C)(C)N(C)C 1458a_100000688961_100000210202 [1,1,0,0,0,0|2,0,0]=4 1417 B9R0.28 COC(=O)C(C)(C)C(=O)C 1458a_100012000394_200000210301 [1,1,0,0,0,0|1,0,1]=4 1418 B9R0.28 COC(=O)C(C)(C)C(=O)[13CH3] 1458a_100012000394_200025704644 [1,1,0,0,0,0|1,0,1]=4 1419 B9R0.28 COC(=O)C(C)(C)N(C)C 2230a_100102631434_100000689032 [1,1,0,0,0,0|2,0,0]=4 1420 B9R0.28 COC(=O)C(C)(F)N(C)C 2230a_100102631434_200009867631 [1,1,0,0,0,0|2,0,0]=4 1421 B9R0.32 CC(C)C(=O)C(C)(C)CF 1458a_100000138116_100000210206 [1,1,0,0,0,0|2,0,0]=4 1422 B9R0.32 CC(C)C(=O)C(C)(C)CO 1458a_100000749806_100000210206 [1,1,0,0,0,0|2,0,0]=4 1423 B9R0.32 CCC(C)(C)C(=O)C(C)C 1458a_100000749717_100000210206 [1,1,0,0,0,0|1,0,0]=3 1424 B9R0.32 CCC(C)(C)C(=O)N(C)C 11a_100102631434_100000749717 [1,1,0,0,0,0|2,0,0]=4 1425 B9R0.32 CCC(C)(C)C(=O)N(C)C 1626a_100102631434_100000749717 [1,1,0,0,0,0|2,0,0]=4 1426 B9R0.32 CCC(C)(C)C(=O)N(C)C 240690a_100102631434_100000749717 [1,1,0,0,0,0|2,0,0]=4 1427 B9R0.32 CCC(C)(C)C(=O)N(C)C 527a_100102631434_100000749717 [1,1,0,0,0,0|2,0,0]=4 1428 B9R0.32 CCC(C)(O)C(=O)C(C)C 1458a_100011219770_100000210206 [1,1,0,0,0,0|0,0,0]=2 1429 B9R0.32 CCC(C)(O)C(=O)N(C)C 240690a_100102631434_100011219770 [1,1,0,0,0,0|1,0,0]=3 1430 B9R0.32 CCC(F)(F)C(=O)C(C)C 1458a_100000061896_100000210206 [1,1,0,0,0,0|2,0,0]=4 1431 B9R0.32 COC(C)(C)C(=O)C(C)C 1458a_100000753492_100000210206 [1,1,0,0,0,0|2,0,0]=4 1432 B9R0.69 CC(CO)(CO)C(=O)CF 1458a_100000693232_100015361967 [1,1,0,0,0,0|2,0,0]=4 1433 B9R0.69 CCC(=O)C(C)(CC)CC 1458a_100000210414_100009817345 [1,1,0,0,0,0|1,0,0]=3 1434 B9R0.69 CCC(=O)C(C)(CC)CC 1458a_100000760562_100000210202 [1,1,0,0,0,0|1,0,0]=3 1435 B9R0.69 CCC(=O)C(C)(CO)CO 1458a_100000693232_100000210202 [1,1,0,0,0,0|1,0,0]=3 1436 B9R0.69 CCC(C)(CC)C(=O)CF 1458a_100000760562_100015361967 [1,1,0,0,0,0|2,0,0]=4 1437 B9R0.69 CCC(C)(CC)C(=O)CO 1458a_100000210174_100009817345 [1,1,0,0,0,0|2,0,0]=4 1438 B9R0.69 CCC(C)(CC)C(=O)NC 11a_106832991635_100000760562 [1,1,0,0,0,0|2,0,0]=4 1439 B9R0.69 CCC(C)(CC)C(=O)NC 1626a_100102657272_100000760562 [1,1,0,0,0,0|2,0,0]=4 1440 B9R0.69 CCC(C)(CC)C(=O)NC 240690a_100102657272_100000760562 [1,1,0,0,0,0|2,0,0]=4 1441 B9R0.69 CCC(C)(CC)C(=O)NC 527a_100102657272_100000760562 [1,1,0,0,0,0|2,0,0]=4 1442 B9R0.69 CCC(C)C(C)(CC)OC 7a_200011218298_200000210301 [1,1,0,0,0,0|1,0,1]=4 1443 B9R0.69 CCC(C)C(C)(CC)O[13CH3] 7a_200011218298_200025704644 [1,1,0,0,0,0|1,0,1]=4 1444 B9R0.69 CNC(=O)C(C)(CO)CO 240690a_100102657272_100000693232 [1,1,0,0,0,0|2,0,0]=4 1445 B9R0.3 C#CCCC(=O)C(C)(C)O 1458a_100000242741_100000753159 [1,1,0,0,0,0|1,0,1]=4 1446 B9R0.3 C#CCNC(=O)C(C)(C)O 240690a_100000212058_100000242741 [1,1,0,0,0,0|1,0,1]=4 1447 B9R0.3 C/C=C/CC(=O)C(C)(C)O 1458a_100000242741_100102629194 [1,1,0,0,0,0|1,0,1]=4 1448 B9R0.3 C=CCCC(=O)C(C)(C)O 1458a_100000242741_100000754431 [1,1,0,0,0,0|1,0,1]=4 1449 B9R0.3 C=CCNC(=O)C(C)(C)O 240690a_100020586998_100000242741 [1,1,0,0,0,0|1,0,1]=4 1450 B9R0.3 CC#CCC(=O)C(C)(C)O 1458a_100000242741_100000748600 [1,1,0,0,0,0|1,0,1]=4 1451 B9R0.3 CC(C)(C)C(=O)CCCF 1458a_106744555173_100011934791 [1,1,0,0,0,0|2,0,0]=4 1452 B9R0.3 CC(C)(C)C(=O)CCCO 1458a_106744555173_100011215043 [1,1,0,0,0,0|2,0,0]=4 1453 B9R0.3 CC(C)(C)C(=O)COCF 34a_200011592769_100015361967 [1,1,0,0,0,0|2,0,0]=4 1454 B9R0.3 CC(C)(C)C(=O)COCF 7a_200011592769_100015361967 [1,1,0,0,0,0|2,0,0]=4 1455 B9R0.3 CC(C)(C)C(=O)NCCF 11a_100000724931_106744555173 [1,1,0,0,0,0|2,0,0]=4 1456 B9R0.3 CC(C)(C)C(=O)NCCF 1626a_100000724931_106744555173 [1,1,0,0,0,0|2,0,0]=4 1457 B9R0.3 CC(C)(C)C(=O)NCCF 240690a_100000724931_106744555173 [1,1,0,0,0,0|2,0,0]=4 1458 B9R0.3 CC(C)(C)C(=O)NCCF 527a_100000724931_106744555173 [1,1,0,0,0,0|2,0,0]=4 1459 B9R0.3 CC(C)(C)C(=O)NCCO 240690a_100000210304_106744555173 [1,1,0,0,0,0|2,0,0]=4 1460 B9R0.3 CC(C)(C)C(=O)NCCO 527a_100000210304_106744555173 [1,1,0,0,0,0|2,0,0]=4 1461 B9R0.3 CC(C)(C)C(=O)OCS[13CH3] 62a_100000032063_200025704644 [1,1,0,0,0,0|1,0,0]=3 1462 B9R0.3 CC(C)(C)C(=O)OCS[13CH3] 62a_200025704644_100000032063 [1,1,0,0,0,0|1,0,0]=3 1463 B9R0.3 CC(C)(F)C(=O)CCCF 1458a_100000765255_100011934791 [1,1,0,0,0,0|2,0,0]=4 1464 B9R0.3 CC(C)(F)C(=O)CCCO 1458a_100000765255_100011215043 [1,1,0,0,0,0|2,0,0]=4 1465 B9R0.3 CC(C)(F)C(=O)NCCF 11a_100000724931_100000765255 [1,1,0,0,0,0|2,0,0]=4 1466 B9R0.3 CC(C)(F)C(=O)NCCF 1626a_100000724931_100000765255 [1,1,0,0,0,0|2,0,0]=4 1467 B9R0.3 CC(C)(F)C(=O)NCCF 240690a_100000724931_100000765255 [1,1,0,0,0,0|2,0,0]=4 1468 B9R0.3 CC(C)(F)C(=O)NCCF 527a_100000724931_100000765255 [1,1,0,0,0,0|2,0,0]=4 1469 B9R0.3 CC(C)(F)C(=O)NCCO 240690a_100000210304_100000765255 [1,1,0,0,0,0|2,0,0]=4 1470 B9R0.3 CC(C)(F)C(=O)NCCO 527a_100000210304_100000765255 [1,1,0,0,0,0|2,0,0]=4 1471 B9R0.3 CC(C)(O)C(=O)CCC#N 1458a_100000242741_100011215226 [1,1,0,0,0,0|1,0,1]=4 1472 B9R0.3 CC(C)(O)C(=O)CCCF 1458a_100000242741_100011934791 [1,1,0,0,0,0|1,0,0]=3 1473 B9R0.3 CC(C)(O)C(=O)CCCO 1458a_100000242741_100011215043 [1,1,0,0,0,0|1,0,0]=3 1474 B9R0.3 CC(C)(O)C(=O)NCCF 240690a_100000724931_100000242741 [1,1,0,0,0,0|1,0,0]=3 1475 B9R0.3 CC(C)(O)C(=O)NCCO 240690a_100000210304_100000242741 [1,1,0,0,0,0|1,0,0]=3 1476 B9R0.3 CC=CCC(=O)C(C)(C)O 1458a_100000242741_100000070051 [1,1,0,0,0,0|1,0,1]=4 1477 B9R0.3 CCCCC(=O)C(C)(C)C 1458a_106744555173_100000210211 [1,1,0,0,0,0|2,0,0]=4 1478 B9R0.3 CCCCC(=O)C(C)(C)F 1458a_100000765255_100000210211 [1,1,0,0,0,0|2,0,0]=4 1479 B9R0.3 CCCCC(=O)C(C)(C)O 1458a_100000242741_100000210211 [1,1,0,0,0,0|1,0,0]=3 1480 B9R0.3 CCCNC(=O)C(C)(C)C 11a_100020643023_106744555173 [1,1,0,0,0,0|2,0,0]=4 1481 B9R0.3 CCCNC(=O)C(C)(C)C 1626a_100020643023_106744555173 [1,1,0,0,0,0|2,0,0]=4 1482 B9R0.3 CCCNC(=O)C(C)(C)C 240690a_100020643023_106744555173 [1,1,0,0,0,0|2,0,0]=4 1483 B9R0.3 CCCNC(=O)C(C)(C)C 527a_100020643023_106744555173 [1,1,0,0,0,0|2,0,0]=4 1484 B9R0.3 CCCNC(=O)C(C)(C)F 11a_100020643023_100000765255 [1,1,0,0,0,0|2,0,0]=4 1485 B9R0.3 CCCNC(=O)C(C)(C)F 1626a_100020643023_100000765255 [1,1,0,0,0,0|2,0,0]=4 1486 B9R0.3 CCCNC(=O)C(C)(C)F 240690a_100020643023_100000765255 [1,1,0,0,0,0|2,0,0]=4 1487 B9R0.3 CCCNC(=O)C(C)(C)F 527a_100020643023_100000765255 [1,1,0,0,0,0|2,0,0]=4 1488 B9R0.3 CCCNC(=O)C(C)(C)O 240690a_100020643023_100000242741 [1,1,0,0,0,0|1,0,0]=3 1489 B9R0.3 CCNN=C(C)C(C)(C)O 4a_100000756455_100000747739 [1,1,0,0,0,0|2,0,0]=4 1490 B9R0.3 CCNNC(=O)C(C)(C)C 22a_100000756455_106744555173 [1,1,0,0,0,0|2,0,0]=4 1491 B9R0.3 CCNNC(=O)C(C)(C)F 22a_100000756455_100000765255 [1,1,0,0,0,0|2,0,0]=4 1492 B9R0.3 CCNNC(=O)C(C)(C)O 22a_100000756455_100000242741 [1,1,0,0,0,0|1,0,0]=3 1493 B9R0.3 CCOCC(=O)C(C)(C)C 34a_100121572206_100000229897 [1,1,0,0,0,0|1,0,0]=3 1494 B9R0.3 CCOCC(=O)C(C)(C)C 34a_200011592769_100000210202 [1,1,0,0,0,0|1,0,0]=3 1495 B9R0.3 CCOCC(=O)C(C)(C)C 7a_200011592769_100000210202 [1,1,0,0,0,0|1,0,0]=3 1496 B9R0.3 CCSCC(=O)C(C)(C)C 62a_100000210202_100000210923 [1,1,0,0,0,0|1,1,0]=4 1497 B9R0.3 CCSCC(=O)C(C)(C)C 62a_100000210923_100000210202 [1,1,0,0,0,0|1,1,0]=4 1498 B9R0.3 COCCC(=O)C(C)(C)C 1458a_106744555173_100000233755 [1,1,0,0,0,0|2,0,0]=4 1499 B9R0.3 COCCC(=O)C(C)(C)F 1458a_100000765255_100000233755 [1,1,0,0,0,0|2,0,0]=4 1500 B9R0.3 COCCC(=O)C(C)(C)O 1458a_100000242741_100000233755 [1,1,0,0,0,0|1,0,0]=3 1501 B9R0.3 CSCCC(=O)C(C)(C)C 1458a_106744555173_100000751147 [1,1,0,0,0,0|2,0,0]=4 1502 B9R0.3 CSCCC(=O)C(C)(C)F 1458a_100000765255_100000751147 [1,1,0,0,0,0|2,0,0]=4 1503 B9R0.3 CSCCC(=O)C(C)(C)O 1458a_100000242741_100000751147 [1,1,0,0,0,0|1,0,0]=3 1504 B9R0.3 CSCOC(=O)C(C)(C)C 62a_100000032063_200000210301 [1,1,0,0,0,0|1,0,0]=3 1505 B9R0.3 CSCOC(=O)C(C)(C)C 62a_200000210301_100000032063 [1,1,0,0,0,0|1,0,0]=3 1506 B9R0.10 C=C(C)CC(=O)C(C)(C)O 1458a_100000242741_100000748629 [1,1,0,0,0,0|1,0,1]=4 1507 B9R0.10 CC(C)(O)C(=O)CC(F)F 1458a_100000242741_100011934356 [1,1,0,0,0,0|2,0,0]=4 1508 B9R0.10 CC(C)CC(=O)C(C)(C)C 1458a_106744555173_100000210624 [1,1,0,0,0,0|2,0,0]=4 1509 B9R0.10 CC(C)CC(=O)C(C)(C)F 1458a_100000765255_100000210624 [1,1,0,0,0,0|2,0,0]=4 1510 B9R0.10 CC(C)CC(=O)C(C)(C)O 1458a_100000242741_100000210624 [1,1,0,0,0,0|1,0,0]=3 1511 B9R0.10 CC(C)NC(=O)C(C)(C)C 11a_100138425928_106744555173 [1,1,0,0,0,0|2,0,0]=4 1512 B9R0.10 CC(C)NC(=O)C(C)(C)C 1626a_100138425928_106744555173 [1,1,0,0,0,0|2,0,0]=4 1513 B9R0.10 CC(C)NC(=O)C(C)(C)C 240690a_100138425928_106744555173 [1,1,0,0,0,0|2,0,0]=4 1514 B9R0.10 CC(C)NC(=O)C(C)(C)C 527a_100138425928_106744555173 [1,1,0,0,0,0|2,0,0]=4 1515 B9R0.10 CC(C)NC(=O)C(C)(C)F 11a_100138425928_100000765255 [1,1,0,0,0,0|2,0,0]=4 1516 B9R0.10 CC(C)NC(=O)C(C)(C)F 1626a_100138425928_100000765255 [1,1,0,0,0,0|2,0,0]=4 1517 B9R0.10 CC(C)NC(=O)C(C)(C)F 240690a_100138425928_100000765255 [1,1,0,0,0,0|2,0,0]=4 1518 B9R0.10 CC(C)NC(=O)C(C)(C)F 527a_100138425928_100000765255 [1,1,0,0,0,0|2,0,0]=4 1519 B9R0.10 CC(C)NC(=O)C(C)(C)O 240690a_100138425928_100000242741 [1,1,0,0,0,0|1,0,0]=3 1520 B9R0.10 CC(O)CC(=O)C(C)(C)C 1458a_106744555173_100011218427 [1,1,0,0,0,0|2,0,0]=4 1521 B9R0.10 CC(O)CC(=O)C(C)(C)F 1458a_100000765255_100011218427 [1,1,0,0,0,0|2,0,0]=4 1522 B9R0.10 CC(O)CC(=O)C(C)(C)O 1458a_100000242741_100011218427 [1,1,0,0,0,0|1,0,0]=3 1523 B9R0.25 CCC(C)C(=O)C(C)(C)C 1458a_106744555173_100000758301 [1,1,0,0,0,0|2,0,0]=4 1524 B9R0.25 CCC(C)C(=O)C(C)(C)F 1458a_100000765255_100000758301 [1,1,0,0,0,0|2,0,0]=4 1525 B9R0.25 CCC(C)C(=O)C(C)(C)O 1458a_100000242741_100000758301 [1,1,0,0,0,0|1,0,0]=3 1526 B9R0.25 CCN(C)C(=O)C(C)(C)C 11a_100000225621_106744555173 [1,1,0,0,0,0|2,0,0]=4 1527 B9R0.25 CCN(C)C(=O)C(C)(C)C 1626a_100000225621_106744555173 [1,1,0,0,0,0|2,0,0]=4 1528 B9R0.25 CCN(C)C(=O)C(C)(C)C 240690a_100000225621_106744555173 [1,1,0,0,0,0|2,0,0]=4 1529 B9R0.25 CCN(C)C(=O)C(C)(C)C 527a_100000225621_106744555173 [1,1,0,0,0,0|2,0,0]=4 1530 B9R0.25 CCN(C)C(=O)C(C)(C)F 11a_100000225621_100000765255 [1,1,0,0,0,0|2,0,0]=4 1531 B9R0.25 CCN(C)C(=O)C(C)(C)F 1626a_100000225621_100000765255 [1,1,0,0,0,0|2,0,0]=4 1532 B9R0.25 CCN(C)C(=O)C(C)(C)F 240690a_100000225621_100000765255 [1,1,0,0,0,0|2,0,0]=4 1533 B9R0.25 CCN(C)C(=O)C(C)(C)F 527a_100000225621_100000765255 [1,1,0,0,0,0|2,0,0]=4 1534 B9R0.25 CCN(C)C(=O)C(C)(C)O 240690a_100000225621_100000242741 [1,1,0,0,0,0|1,0,0]=3 1535 B9R0.20 CCC(C)(C)COCCF 7a_100000765029_100011217306 [1,1,0,0,0,0|1,0,1]=4 1536 B9R0.20 CCC(C)(C)COCCO 7a_100000765029_100000211926 [1,1,0,0,0,0|1,0,1]=4 1537 B9R0.20 CCCOCC(C)(C)CC 7a_100000765029_100000210303 [1,1,0,0,0,0|1,0,1]=4 1538 B9R0.20 CCOCSC(C)(C)CC 62a_100000032637_100000739092 [1,1,0,0,0,0|1,0,1]=4 1539 B9R0.20 CCOCSC(C)(C)CC 62a_100000739092_100000032637 [1,1,0,0,0,0|1,0,1]=4 1540 B9R0.22 CCC(=O)CC(C)(O)CC 1458a_200011219800_100000210202 [1,1,0,0,0,0|1,0,1]=4 1541 B9R0.64 CCC(C)(C)COC(C)C 7a_100000765029_100000210206 [1,1,0,0,0,0|1,0,1]=4 1542 B9R0.66 CCCC(C)(C)COCC 7a_100011995695_100000210202 [1,1,0,0,0,0|1,0,1]=4 1543 B9R0.66 CCNC(C)(C)COCC 7a_100000747347_100000210202 [1,1,0,0,0,0|1,0,1]=4 1544 B9R0.67 CCCCC(C)(CC)OC 7a_200011218725_200000210301 [1,1,0,0,0,0|1,0,1]=4 1545 B9R0.67 CCCCC(C)(CC)O[13CH3] 7a_200011218725_200025704644 [1,1,0,0,0,0|1,0,1]=4 1546 B9R0.67 CCOCC(C)(OC)OC 34a_100121572206_100000766008 [1,1,0,0,0,0|1,0,1]=4 1547 B11R0.10 CCCC(=O)NC(C)(C)C(C)C 11a_200160471154_100000211992 [0,1,0,0,0,1|2,0,0]=4 1548 B11R0.10 CCCC(=O)NC(C)(C)C(C)C 1626a_200160471154_100000211992 [0,1,0,0,0,1|2,0,0]=4 1549 B11R0.10 CCCC(=O)NC(C)(C)C(C)C 240690a_200160471154_100000211992 [0,1,0,0,0,1|2,0,0]=4 1550 B11R0.10 CCCC(=O)NC(C)(C)C(C)C 527a_200160471154_100000211992 [0,1,0,0,0,1|2,0,0]=4 1551 B11R0.10 CCNC(=O)NC(C)(C)C(C)C 2708a_100015525214_200160471154 [0,1,0,0,0,1|2,0,0]=4 1552 B11R0.10 CCNC(=O)NC(C)(C)C(C)C 273464a_100015525214_200160471154 [0,1,0,0,0,1|2,0,0]=4 1553 B11R0.10 CCNC(=O)NC(C)(C)C(C)C 512a_100015525214_200160471154 [0,1,0,0,0,1|2,0,0]=4 1554 B11R0.10 CCNC(=O)NC(C)(C)C(C)C 512a_200160471154_100015525214 [0,1,0,0,0,1|2,0,0]=4 1555 B11R0.83 C#CCCC(=O)CC(C)(O)CC 1458a_200011219800_100000753159 [0,1,0,0,0,1|1,0,1]=4 1556 B11R0.83 C#CCNC(=O)CC(C)(O)CC 240690a_100000212058_200011219800 [0,1,0,0,0,1|1,0,1]=4 1557 B11R0.83 C#CCNC(=O)CC(C)(O)CC 527a_100000212058_200011219800 [0,1,0,0,0,1|1,0,1]=4 1558 B11R0.83 C/C=C/CC(=O)CC(C)(O)CC 1458a_200011219800_100102629194 [0,1,0,0,0,1|1,0,1]=4 1559 B11R0.83 C=CCCC(=O)CC(C)(O)CC 1458a_200011219800_100000754431 [0,1,0,0,0,1|1,0,1]=4 1560 B11R0.83 C=CCNC(=O)CC(C)(O)CC 240690a_100020586998_200011219800 [0,1,0,0,0,1|1,0,1]=4 1561 B11R0.83 C=CCNC(=O)CC(C)(O)CC 527a_100020586998_200011219800 [0,1,0,0,0,1|1,0,1]=4 1562 B11R0.83 CC#CCC(=O)CC(C)(O)CC 1458a_200011219800_100000748600 [0,1,0,0,0,1|1,0,1]=4 1563 B11R0.83 CC=CCC(=O)CC(C)(O)CC 1458a_200011219800_100000070051 [0,1,0,0,0,1|1,0,1]=4 1564 B11R0.83 CCC(C)(C)CC(=O)CCCF 1458a_200000763500_100011934791 [0,1,0,0,0,1|2,0,0]=4 1565 B11R0.83 CCC(C)(C)CC(=O)CCCO 1458a_200000763500_100011215043 [0,1,0,0,0,1|2,0,0]=4 1566 B11R0.83 CCC(C)(C)CC(=O)CCOC 1458a_200000763500_100000233755 [0,1,0,0,0,1|2,0,0]=4 1567 B11R0.83 CCC(C)(C)CC(=O)CCSC 1458a_200000763500_100000751147 [0,1,0,0,0,1|2,0,0]=4 1568 B11R0.83 CCC(C)(C)CC(=O)NCCF 11a_100000724931_200000763500 [0,1,0,0,0,1|2,0,0]=4 1569 B11R0.83 CCC(C)(C)CC(=O)NCCF 1626a_100000724931_200000763500 [0,1,0,0,0,1|2,0,0]=4 1570 B11R0.83 CCC(C)(C)CC(=O)NCCF 240690a_100000724931_200000763500 [0,1,0,0,0,1|2,0,0]=4 1571 B11R0.83 CCC(C)(C)CC(=O)NCCF 527a_100000724931_200000763500 [0,1,0,0,0,1|2,0,0]=4 1572 B11R0.83 CCC(C)(C)CC(=O)NCCO 240690a_100000210304_200000763500 [0,1,0,0,0,1|2,0,0]=4 1573 B11R0.83 CCC(C)(C)CC(=O)NCCO 527a_100000210304_200000763500 [0,1,0,0,0,1|2,0,0]=4 1574 B11R0.83 CCC(C)(C)NC(=O)CCOC 11a_100000211385_100000749529 [0,1,0,0,0,1|2,0,0]=4 1575 B11R0.83 CCC(C)(C)NC(=O)CCOC 1626a_100000211385_100000749529 [0,1,0,0,0,1|2,0,0]=4 1576 B11R0.83 CCC(C)(C)NC(=O)CCOC 240690a_100000211385_100000749529 [0,1,0,0,0,1|2,0,0]=4 1577 B11R0.83 CCC(C)(C)NC(=O)CCOC 527a_100000211385_100000749529 [0,1,0,0,0,1|2,0,0]=4 1578 B11R0.83 CCC(C)(C)NC(=O)CCSC 11a_100000211385_100000174002 [0,1,0,0,0,1|2,0,0]=4 1579 B11R0.83 CCC(C)(C)NC(=O)CCSC 1626a_100000211385_100000174002 [0,1,0,0,0,1|2,0,0]=4 1580 B11R0.83 CCC(C)(C)NC(=O)CCSC 240690a_100000211385_100000174002 [0,1,0,0,0,1|2,0,0]=4 1581 B11R0.83 CCC(C)(C)NC(=O)CCSC 527a_100000211385_100000174002 [0,1,0,0,0,1|2,0,0]=4 1582 B11R0.83 CCC(C)(C)NC(=O)NCCF 273464a_100000211385_100000724931 [0,1,0,0,0,1|2,0,0]=4 1583 B11R0.83 CCC(C)(C)NC(=O)NCCF 273464a_100000724931_100000211385 [0,1,0,0,0,1|2,0,0]=4 1584 B11R0.83 CCC(C)(C)NC(=O)NCCF 512a_100000211385_100000724931 [0,1,0,0,0,1|2,0,0]=4 1585 B11R0.83 CCC(C)(C)NC(=O)NCCO 273464a_100000210304_100000211385 [0,1,0,0,0,1|2,0,0]=4 1586 B11R0.83 CCC(C)(C)NC(=O)NCCO 273464a_100000211385_100000210304 [0,1,0,0,0,1|2,0,0]=4 1587 B11R0.83 CCC(C)(C)NC(=O)NCCO 512a_100000211385_100000210304 [0,1,0,0,0,1|2,0,0]=4 1588 B11R0.83 CCC(C)(O)CC(=O)CCC#N 1458a_200011219800_100011215226 [0,1,0,0,0,1|1,0,1]=4 1589 B11R0.83 CCC(C)(O)CC(=O)CCCF 1458a_200011219800_100011934791 [0,1,0,0,0,1|1,0,0]=3 1590 B11R0.83 CCC(C)(O)CC(=O)CCCO 1458a_200011219800_100011215043 [0,1,0,0,0,1|1,0,0]=3 1591 B11R0.83 CCC(C)(O)CC(=O)CCOC 1458a_200011219800_100000233755 [0,1,0,0,0,1|1,0,0]=3 1592 B11R0.83 CCC(C)(O)CC(=O)CCSC 1458a_200011219800_100000751147 [0,1,0,0,0,1|1,0,0]=3 1593 B11R0.83 CCC(C)(O)CC(=O)NCC#N 527a_100000734998_200011219800 [0,1,0,0,0,1|1,0,1]=4 1594 B11R0.83 CCC(C)(O)CC(=O)NCCF 240690a_100000724931_200011219800 [0,1,0,0,0,1|1,0,0]=3 1595 B11R0.83 CCC(C)(O)CC(=O)NCCF 527a_100000724931_200011219800 [0,1,0,0,0,1|1,0,0]=3 1596 B11R0.83 CCC(C)(O)CC(=O)NCCO 240690a_100000210304_200011219800 [0,1,0,0,0,1|1,0,0]=3 1597 B11R0.83 CCC(C)(O)CC(=O)NCCO 527a_100000210304_200011219800 [0,1,0,0,0,1|1,0,0]=3 1598 B11R0.83 CCC=CC(=O)NC(C)(C)CC 11a_100000211385_100000212282 [0,1,0,0,0,1|2,0,0]=4 1599 B11R0.83 CCC=CC(=O)NC(C)(C)CC 1626a_100000211385_100000212282 [0,1,0,0,0,1|2,0,0]=4 1600 B11R0.83 CCC=CC(=O)NC(C)(C)CC 240690a_100000211385_100000212282 [0,1,0,0,0,1|2,0,0]=4 1601 B11R0.83 CCCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210211 [0,1,0,0,0,1|2,0,0]=4 1602 B11R0.83 CCCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210211 [0,1,0,0,0,1|1,0,0]=3 1603 B11R0.83 CCCCC(=O)NC(C)(C)CC 11a_100000211385_100000210183 [0,1,0,0,0,1|2,0,0]=4 1604 B11R0.83 CCCCC(=O)NC(C)(C)CC 1626a_100000211385_100000210183 [0,1,0,0,0,1|2,0,0]=4 1605 B11R0.83 CCCCC(=O)NC(C)(C)CC 240690a_100000211385_100000210183 [0,1,0,0,0,1|2,0,0]=4 1606 B11R0.83 CCCCC(=O)NC(C)(C)CC 527a_100000211385_100000210183 [0,1,0,0,0,1|2,0,0]=4 1607 B11R0.83 CCCNC(=O)CC(C)(C)CC 11a_100020643023_200000763500 [0,1,0,0,0,1|2,0,0]=4 1608 B11R0.83 CCCNC(=O)CC(C)(C)CC 1626a_100020643023_200000763500 [0,1,0,0,0,1|2,0,0]=4 1609 B11R0.83 CCCNC(=O)CC(C)(C)CC 240690a_100020643023_200000763500 [0,1,0,0,0,1|2,0,0]=4 1610 B11R0.83 CCCNC(=O)CC(C)(C)CC 527a_100020643023_200000763500 [0,1,0,0,0,1|2,0,0]=4 1611 B11R0.83 CCCNC(=O)CC(C)(O)CC 240690a_100020643023_200011219800 [0,1,0,0,0,1|1,0,0]=3 1612 B11R0.83 CCCNC(=O)CC(C)(O)CC 527a_100020643023_200011219800 [0,1,0,0,0,1|1,0,0]=3 1613 B11R0.83 CCCNC(=O)NC(C)(C)CC 2708a_100020643023_100000211385 [0,1,0,0,0,1|2,0,0]=4 1614 B11R0.83 CCCNC(=O)NC(C)(C)CC 273464a_100000211385_100020643023 [0,1,0,0,0,1|2,0,0]=4 1615 B11R0.83 CCCNC(=O)NC(C)(C)CC 273464a_100020643023_100000211385 [0,1,0,0,0,1|2,0,0]=4 1616 B11R0.83 CCCNC(=O)NC(C)(C)CC 512a_100000211385_100020643023 [0,1,0,0,0,1|2,0,0]=4 1617 B11R0.83 CCCNC(=O)NC(C)(C)CC 512a_100020643023_100000211385 [0,1,0,0,0,1|2,0,0]=4 1618 B11R0.83 CCNCC(=O)NC(C)(C)CC 2230a_100015525214_100000230344 [0,1,0,0,0,1|2,0,0]=4 1619 B11R0.83 CCNNC(=O)CC(C)(C)CC 22a_100000756455_200000763500 [0,1,0,0,0,1|2,0,0]=4 1620 B11R0.83 CCNNC(=O)CC(C)(O)CC 22a_100000756455_200011219800 [0,1,0,0,0,1|1,0,0]=3 1621 B11R0.83 CCNNC(=O)NC(C)(C)CC 273464a_100000211385_100000756455 [0,1,0,0,0,1|2,0,0]=4 1622 B11R0.83 CCNNC(=O)NC(C)(C)CC 512a_100000211385_100000756455 [0,1,0,0,0,1|2,0,0]=4 1623 B11R0.83 CCNNC(=O)NC(C)(C)CC 512a_100000756455_100000211385 [0,1,0,0,0,1|2,0,0]=4 1624 B11R0.83 CCOCC(=O)NC(C)(C)CC 11a_100000211385_100000211967 [0,1,0,0,0,1|1,0,0]=3 1625 B11R0.83 CCOCC(=O)NC(C)(C)CC 1626a_100000211385_100000211967 [0,1,0,0,0,1|1,0,0]=3 1626 B11R0.83 CCOCC(=O)NC(C)(C)CC 240690a_100000211385_100000211967 [0,1,0,0,0,1|1,0,0]=3 1627 B11R0.83 CCOCC(=O)NC(C)(C)CC 34a_100121572206_100000230344 [0,1,0,0,0,1|1,0,0]=3 1628 B11R0.83 CCOCC(=O)NC(C)(C)CC 527a_100000211385_100000211967 [0,1,0,0,0,1|1,0,0]=3 1629 B11R0.83 CCOCC(=O)NC(C)(C)CO 240690a_100000210608_100000211967 [0,1,0,0,0,1|2,0,0]=4 1630 B11R0.83 CCOCC(=O)NC(C)(C)CO 527a_100020618417_100000211967 [0,1,0,0,0,1|2,0,0]=4 1631 B11R0.83 CCSCC(=O)NC(C)(C)CC 11a_100000211385_100000230394 [0,1,0,0,0,1|1,1,0]=4 1632 B11R0.83 CCSCC(=O)NC(C)(C)CC 1626a_100000211385_100000230394 [0,1,0,0,0,1|1,1,0]=4 1633 B11R0.83 CCSCC(=O)NC(C)(C)CC 240690a_100000211385_100000230394 [0,1,0,0,0,1|1,1,0]=4 1634 B11R0.83 CCSCC(=O)NC(C)(C)CC 527a_100000211385_100000230394 [0,1,0,0,0,1|1,1,0]=4 1635 B11R0.83 CCSCC(=O)NC(C)(C)CC 62a_100000210202_100000230344 [0,1,0,0,0,1|1,1,0]=4 1636 B11R0.83 CCSCC(=O)NC(C)(C)CC 62a_100000230344_100000210202 [0,1,0,0,0,1|1,1,0]=4 1637 B11R0.122 CCCC(=O)N(C)C(C)(C)CC 11a_200000755171_100000211992 [0,1,0,0,0,1|2,0,0]=4 1638 B11R0.122 CCCC(=O)N(C)C(C)(C)CC 1626a_200000755171_100000211992 [0,1,0,0,0,1|2,0,0]=4 1639 B11R0.122 CCCC(=O)N(C)C(C)(C)CC 240690a_200000755171_100000211992 [0,1,0,0,0,1|2,0,0]=4 1640 B11R0.122 CCCC(=O)N(C)C(C)(C)CC 527a_200000755171_100000211992 [0,1,0,0,0,1|2,0,0]=4 1641 B11R0.122 CCNC(=O)N(C)C(C)(C)CC 2708a_100015525214_200000755171 [0,1,0,0,0,1|2,0,0]=4 1642 B11R0.122 CCNC(=O)N(C)C(C)(C)CC 273464a_100015525214_200000755171 [0,1,0,0,0,1|2,0,0]=4 1643 B11R0.209 CCC(=O)C(=O)NC(C)(C)CC 1458a_200011297151_100000210202 [0,1,0,0,0,1|2,0,0]=4 1644 B11R0.209 CCC(C)C(=O)CC(C)(C)CC 1458a_200000763500_100000758301 [0,1,0,0,0,1|2,0,0]=4 1645 B11R0.209 CCC(C)C(=O)CC(C)(O)CC 1458a_200011219800_100000758301 [0,1,0,0,0,1|1,0,0]=3 1646 B11R0.209 CCC(C)C(=O)NC(C)(C)CC 11a_100000211385_100011192722 [0,1,0,0,0,1|2,0,0]=4 1647 B11R0.209 CCC(C)C(=O)NC(C)(C)CC 1626a_100000211385_100011192722 [0,1,0,0,0,1|2,0,0]=4 1648 B11R0.209 CCC(C)C(=O)NC(C)(C)CC 240690a_100000211385_100011192722 [0,1,0,0,0,1|2,0,0]=4 1649 B11R0.209 CCC(C)C(=O)NC(C)(C)CC 527a_100000211385_100011192722 [0,1,0,0,0,1|2,0,0]=4 1650 B11R0.209 CCC(O)C(=O)NC(C)(C)CC 240690a_100000211385_100011196387 [0,1,0,0,0,1|2,0,0]=4 1651 B11R0.209 CCN(C)C(=O)CC(C)(C)CC 11a_100000225621_200000763500 [0,1,0,0,0,1|2,0,0]=4 1652 B11R0.209 CCN(C)C(=O)CC(C)(C)CC 1626a_100000225621_200000763500 [0,1,0,0,0,1|2,0,0]=4 1653 B11R0.209 CCN(C)C(=O)CC(C)(C)CC 240690a_100000225621_200000763500 [0,1,0,0,0,1|2,0,0]=4 1654 B11R0.209 CCN(C)C(=O)CC(C)(C)CC 527a_100000225621_200000763500 [0,1,0,0,0,1|2,0,0]=4 1655 B11R0.209 CCN(C)C(=O)CC(C)(O)CC 240690a_100000225621_200011219800 [0,1,0,0,0,1|1,0,0]=3 1656 B11R0.209 CCN(C)C(=O)CC(C)(O)CC 527a_100000225621_200011219800 [0,1,0,0,0,1|1,0,0]=3 1657 B11R0.209 CCN(C)C(=O)NC(C)(C)CC 273464a_100000211385_100000225621 [0,1,0,0,0,1|2,0,0]=4 1658 B11R0.300 C=C(C)CC(=O)CC(C)(O)CC 1458a_200011219800_100000748629 [0,1,0,0,0,1|1,0,1]=4 1659 B11R0.300 CCC(C)(C)CC(=O)CC(C)C 1458a_200000763500_100000210624 [0,1,0,0,0,1|2,0,0]=4 1660 B11R0.300 CCC(C)(C)CC(=O)CC(C)O 1458a_200000763500_100011218427 [0,1,0,0,0,1|2,0,0]=4 1661 B11R0.300 CCC(C)(C)CC(=O)NC(C)C 11a_100138425928_200000763500 [0,1,0,0,0,1|2,0,0]=4 1662 B11R0.300 CCC(C)(C)CC(=O)NC(C)C 1626a_100138425928_200000763500 [0,1,0,0,0,1|2,0,0]=4 1663 B11R0.300 CCC(C)(C)CC(=O)NC(C)C 240690a_100138425928_200000763500 [0,1,0,0,0,1|2,0,0]=4 1664 B11R0.300 CCC(C)(C)CC(=O)NC(C)C 527a_100138425928_200000763500 [0,1,0,0,0,1|2,0,0]=4 1665 B11R0.300 CCC(C)(C)NC(=O)CC(C)C 11a_100000211385_100000210554 [0,1,0,0,0,1|2,0,0]=4 1666 B11R0.300 CCC(C)(C)NC(=O)CC(C)C 1626a_100000211385_100000210554 [0,1,0,0,0,1|2,0,0]=4 1667 B11R0.300 CCC(C)(C)NC(=O)CC(C)C 240690a_100000211385_100000210554 [0,1,0,0,0,1|2,0,0]=4 1668 B11R0.300 CCC(C)(C)NC(=O)CC(C)C 527a_100000211385_100000210554 [0,1,0,0,0,1|2,0,0]=4 1669 B11R0.300 CCC(C)(C)NC(=O)C[C@@H](C)O 240690a_100000211385_100011933948 [0,1,0,0,0,1|2,0,0]=4 1670 B11R0.300 CCC(C)(C)NC(=O)NC(C)C 2708a_100138425928_100000211385 [0,1,0,0,0,1|2,0,0]=4 1671 B11R0.300 CCC(C)(C)NC(=O)NC(C)C 273464a_100138425928_100000211385 [0,1,0,0,0,1|2,0,0]=4 1672 B11R0.300 CCC(C)(C)NC(=O)NC(C)C 512a_100000211385_100138425928 [0,1,0,0,0,1|2,0,0]=4 1673 B11R0.300 CCC(C)(C)NC(=O)NC(C)C 512a_100138425928_100000211385 [0,1,0,0,0,1|2,0,0]=4 1674 B11R0.300 CCC(C)(O)CC(=O)CC(C)C 1458a_200011219800_100000210624 [0,1,0,0,0,1|1,0,0]=3 1675 B11R0.300 CCC(C)(O)CC(=O)CC(C)O 1458a_200011219800_100011218427 [0,1,0,0,0,1|1,0,0]=3 1676 B11R0.300 CCC(C)(O)CC(=O)CC(F)F 1458a_200011219800_100011934356 [0,1,0,0,0,1|2,0,0]=4 1677 B11R0.300 CCC(C)(O)CC(=O)NC(C)C 240690a_100138425928_200011219800 [0,1,0,0,0,1|1,0,0]=3 1678 B11R0.300 CCC(C)(O)CC(=O)NC(C)C 527a_100138425928_200011219800 [0,1,0,0,0,1|1,0,0]=3 1679 B11R0.353 CCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210303 [0,1,0,0,0,1|1,0,0]=3 1680 B11R0.353 CCCC(=O)NC(C)(C)CCO 240690a_100000763138_100000211992 [0,1,0,0,0,1|2,0,0]=4 1681 B11R0.353 CCCC(=O)NC(C)(C)CCO 527a_100000763138_100000211992 [0,1,0,0,0,1|2,0,0]=4 1682 B11R0.353 CCCC(=O)NC(C)(C)COC 11a_100000752728_100000211992 [0,1,0,0,0,1|2,0,0]=4 1683 B11R0.353 CCCC(=O)NC(C)(C)COC 1626a_100000752728_100000211992 [0,1,0,0,0,1|2,0,0]=4 1684 B11R0.353 CCCC(=O)NC(C)(C)COC 240690a_100000752728_100000211992 [0,1,0,0,0,1|2,0,0]=4 1685 B11R0.353 CCCC(=O)NC(C)(C)COC 527a_100000752728_100000211992 [0,1,0,0,0,1|2,0,0]=4 1686 B11R0.353 CCCC(=O)NC(C)(C)CSC 11a_100000759623_100000211992 [0,1,0,0,0,1|2,0,0]=4 1687 B11R0.353 CCCC(=O)NC(C)(C)CSC 1626a_100000759623_100000211992 [0,1,0,0,0,1|2,0,0]=4 1688 B11R0.353 CCCC(=O)NC(C)(C)CSC 240690a_100000759623_100000211992 [0,1,0,0,0,1|2,0,0]=4 1689 B11R0.353 CCCC(=O)NC(C)(C)CSC 527a_100000759623_100000211992 [0,1,0,0,0,1|2,0,0]=4 1690 B11R0.353 CCCC(C)(O)CC(=O)CCF 1458a_100011667670_100011217306 [0,1,0,0,0,1|2,0,0]=4 1691 B11R0.353 CCCC(C)(O)CC(=O)CCO 1458a_100011667670_100000211926 [0,1,0,0,0,1|2,0,0]=4 1692 B11R0.353 CCCC(C)(O)CC(=O)NCC 240690a_100015525214_100011667670 [0,1,0,0,0,1|1,0,0]=3 1693 B11R0.353 CCCC(C)(O)CC(=O)NCC 527a_100015525214_100011667670 [0,1,0,0,0,1|1,0,0]=3 1694 B11R0.353 CCCC(C)(O)CC(=O)NNC 22a_100016993582_100011667670 [0,1,0,0,0,1|2,0,0]=4 1695 B11R0.353 CCNC(=O)NC(C)(C)CCO 2708a_100015525214_100000763138 [0,1,0,0,0,1|2,0,0]=4 1696 B11R0.353 CCNC(=O)NC(C)(C)CCO 273464a_100000763138_100015525214 [0,1,0,0,0,1|2,0,0]=4 1697 B11R0.353 CCNC(=O)NC(C)(C)CCO 273464a_100015525214_100000763138 [0,1,0,0,0,1|2,0,0]=4 1698 B11R0.353 CCNC(=O)NC(C)(C)CCO 512a_100000763138_100015525214 [0,1,0,0,0,1|2,0,0]=4 1699 B11R0.353 CCNC(=O)NC(C)(C)COC 2708a_100015525214_100000752728 [0,1,0,0,0,1|2,0,0]=4 1700 B11R0.353 CCNC(=O)NC(C)(C)COC 273464a_100000752728_100015525214 [0,1,0,0,0,1|2,0,0]=4 1701 B11R0.353 CCNC(=O)NC(C)(C)COC 273464a_100015525214_100000752728 [0,1,0,0,0,1|2,0,0]=4 1702 B11R0.353 CCNC(=O)NC(C)(C)COC 512a_100000752728_100015525214 [0,1,0,0,0,1|2,0,0]=4 1703 B11R0.353 CCNC(=O)NC(C)(C)COC 512a_100015525214_100000752728 [0,1,0,0,0,1|2,0,0]=4 1704 B11R0.353 CCNC(=O)NC(C)(C)CSC 2708a_100015525214_100000759623 [0,1,0,0,0,1|2,0,0]=4 1705 B11R0.353 CCNC(=O)NC(C)(C)CSC 273464a_100000759623_100015525214 [0,1,0,0,0,1|2,0,0]=4 1706 B11R0.353 CCNC(=O)NC(C)(C)CSC 273464a_100015525214_100000759623 [0,1,0,0,0,1|2,0,0]=4 1707 B11R0.353 CCNC(=O)NC(C)(C)CSC 512a_100000759623_100015525214 [0,1,0,0,0,1|2,0,0]=4 1708 B11R0.353 CCNC(=O)NC(C)(C)CSC 512a_100015525214_100000759623 [0,1,0,0,0,1|2,0,0]=4 1709 B11R0.353 CCOC(=O)CC(C)(C)OCC 7a_100000765344_100000210202 [0,1,0,0,0,1|1,0,0]=3 1710 B11R0.353 CCOC(=O)CC(C)(C)OCF 7a_100000765344_100015361967 [0,1,0,0,0,1|2,0,0]=4 1711 B11R0.354 C#CC(C)(CC)NC(=O)CCC 11a_100000054623_100000211992 [0,1,0,0,0,1|2,0,0]=4 1712 B11R0.354 C#CC(C)(CC)NC(=O)CCC 1626a_100000054623_100000211992 [0,1,0,0,0,1|2,0,0]=4 1713 B11R0.354 C#CC(C)(CC)NC(=O)CCC 240690a_100000054623_100000211992 [0,1,0,0,0,1|2,0,0]=4 1714 B11R0.354 C#CC(C)(CC)NC(=O)NCC 273464a_100000054623_100015525214 [0,1,0,0,0,1|2,0,0]=4 1715 B11R0.354 C#CC(C)(CC)NC(=O)NCC 273464a_100015525214_100000054623 [0,1,0,0,0,1|2,0,0]=4 1716 B11R0.354 C#CC(C)(CC)NC(=O)NCC 512a_100000054623_100015525214 [0,1,0,0,0,1|2,0,0]=4 1717 B11R0.354 C#CC(C)(CC)NC(=O)NCC 512a_100015525214_100000054623 [0,1,0,0,0,1|2,0,0]=4 1718 B11R0.354 CC=CC(=O)NC(C)(CC)CO 240690a_100000747662_100000210699 [0,1,0,0,0,1|1,0,1]=4 1719 B11R0.354 CCC(C)(CO)NC(=O)CCO 240690a_100000747662_100011216618 [0,1,0,0,0,1|2,0,0]=4 1720 B11R0.354 CCC(C)(CO)NC(=O)COC 240690a_100000747662_100000210968 [0,1,0,0,0,1|2,0,0]=4 1721 B11R0.354 CCC(C)(CO)NC(=O)COC 527a_100000747662_100000210968 [0,1,0,0,0,1|2,0,0]=4 1722 B11R0.354 CCC(C)(CO)NC(=O)CSC 240690a_100000747662_100000184570 [0,1,0,0,0,1|2,0,0]=4 1723 B11R0.354 CCC(C)(CO)NC(=O)CSC 527a_100000747662_100000184570 [0,1,0,0,0,1|2,0,0]=4 1724 B11R0.354 CCC(C)(CO)NC(=O)NNC 273464a_100000747662_100016993582 [0,1,0,0,0,1|2,0,0]=4 1725 B11R0.354 CCC(C)(CO)NC(=O)NNC 512a_100000747662_100016993582 [0,1,0,0,0,1|2,0,0]=4 1726 B11R0.354 CCC(C)(CO)NC(=O)NNC 512a_100016993582_100000747662 [0,1,0,0,0,1|2,0,0]=4 1727 B11R0.354 CCCC(=O)NC(C)(C#N)CC 11a_100000741185_100000211992 [0,1,0,0,0,1|2,0,0]=4 1728 B11R0.354 CCCC(=O)NC(C)(C#N)CC 1626a_100000741185_100000211992 [0,1,0,0,0,1|2,0,0]=4 1729 B11R0.354 CCCC(=O)NC(C)(C#N)CC 240690a_100000741185_100000211992 [0,1,0,0,0,1|2,0,0]=4 1730 B11R0.354 CCCC(=O)NC(C)(C#N)CC 527a_100000741185_100000211992 [0,1,0,0,0,1|2,0,0]=4 1731 B11R0.354 CCCC(=O)NC(C)(CC)CO 240690a_100000747662_100000211992 [0,1,0,0,0,1|1,0,0]=3 1732 B11R0.354 CCCC(=O)NC(C)(CC)CO 527a_100000747662_100000211992 [0,1,0,0,0,1|1,0,0]=3 1733 B11R0.354 CCCC(=O)NC(C)(CO)CO 240690a_100000764395_100000211992 [0,1,0,0,0,1|2,0,0]=4 1734 B11R0.354 CCCC(=O)NC(C)(CO)CO 527a_100000764395_100000211992 [0,1,0,0,0,1|2,0,0]=4 1735 B11R0.354 CCNC(=O)NC(C)(C#N)CC 273464a_100000741185_100015525214 [0,1,0,0,0,1|2,0,0]=4 1736 B11R0.354 CCNC(=O)NC(C)(C#N)CC 273464a_100015525214_100000741185 [0,1,0,0,0,1|2,0,0]=4 1737 B11R0.354 CCNC(=O)NC(C)(C#N)CC 512a_100000741185_100015525214 [0,1,0,0,0,1|2,0,0]=4 1738 B11R0.354 CCNC(=O)NC(C)(C#N)CC 512a_100015525214_100000741185 [0,1,0,0,0,1|2,0,0]=4 1739 B11R0.354 CCNC(=O)NC(C)(CC)CO 2708a_100015525214_100000747662 [0,1,0,0,0,1|1,0,0]=3 1740 B11R0.354 CCNC(=O)NC(C)(CC)CO 273464a_100000747662_100015525214 [0,1,0,0,0,1|1,0,0]=3 1741 B11R0.354 CCNC(=O)NC(C)(CC)CO 273464a_100015525214_100000747662 [0,1,0,0,0,1|1,0,0]=3 1742 B11R0.354 CCNC(=O)NC(C)(CC)CO 512a_100000747662_100015525214 [0,1,0,0,0,1|1,0,0]=3 1743 B11R0.354 CCNC(=O)NC(C)(CC)CO 512a_100015525214_100000747662 [0,1,0,0,0,1|1,0,0]=3 1744 B11R0.354 CCNC(=O)NC(C)(CO)CO 2708a_100015525214_100000764395 [0,1,0,0,0,1|2,0,0]=4 1745 B11R0.354 CCNC(=O)NC(C)(CO)CO 273464a_100000764395_100015525214 [0,1,0,0,0,1|2,0,0]=4 1746 B11R0.354 CCNC(=O)NC(C)(CO)CO 273464a_100015525214_100000764395 [0,1,0,0,0,1|2,0,0]=4 1747 B11R0.52 CC(C)OC(=O)C(C)(C)N(C)C 2230a_100102631434_100009814322 [0,2,0,0,0,0|2,0,0]=4 1748 B11R0.60 CCCC(=O)[C@@](C)(O)C(F)(F)F 1458a_100009815199_100000210303 [0,2,0,0,0,0|2,0,0]=4 1749 B11R0.60 CCNC(=O)[C@@](C)(O)C(F)(F)F 240690a_100015525214_100009815199 [0,2,0,0,0,0|2,0,0]=4 1750 B11R0.74 CN(C)C(C)(C)C(=O)OCCO 2230a_100102631434_100009817195 [0,2,0,0,0,0|2,0,0]=4 1751 B11R0.242 CCOC(=O)C(C)(C)C(=O)CC 1458a_100000694683_100000210202 [0,2,0,0,0,0|1,0,0]=3 1752 B11R0.242 CCOC(=O)C(C)(C)C(=O)CF 1458a_100000694683_100015361967 [0,2,0,0,0,0|1,0,1]=4 1753 B11R0.242 CCOC(=O)C(C)(C)C(=O)NC 11a_106832991635_100000694683 [0,2,0,0,0,0|1,0,1]=4 1754 B11R0.242 CCOC(=O)C(C)(C)C(=O)NC 1626a_100102657272_100000694683 [0,2,0,0,0,0|1,0,1]=4 1755 B11R0.242 CCOC(=O)C(C)(C)C(=O)NC 240690a_100102657272_100000694683 [0,2,0,0,0,0|1,0,1]=4 1756 B11R0.242 CCOC(=O)C(C)(C)C(=O)NC 527a_100102657272_100000694683 [0,2,0,0,0,0|1,0,1]=4 1757 B11R0.242 CCOC(=O)C(C)(C)C(C)OC 7a_100011668300_200000210301 [0,2,0,0,0,0|1,0,0]=3 1758 B11R0.242 CCOC(=O)C(C)(C)C(C)O[13CH3] 7a_100011668300_200025704644 [0,2,0,0,0,0|1,0,0]=3 1759 B11R0.242 CCOC(=O)C(C)(C)N(C)CC 2230a_100000225621_100011216345 [0,2,0,0,0,0|1,0,0]=3 1760 B11R0.242 CCOC(=O)C(C)(C)N(C)CC 269982a_100000225621_100048669870 [0,2,0,0,0,0|1,0,0]=3 1761 B11R0.242 CCOC(=O)C(C)(O)C(=O)CC 1458a_200009913003_100000210202 [0,2,0,0,0,0|0,0,0]=2 1762 B11R0.242 CCOC(=O)C(C)(O)C(=O)CF 1458a_200009913003_100015361967 [0,2,0,0,0,0|0,0,1]=3 1763 B11R0.242 CCOC(=O)C(C)(O)C(=O)NC 240690a_100102657272_200009913003 [0,2,0,0,0,0|0,0,1]=3 1764 B11R0.242 CCOC(=O)C(F)(F)N(C)CC 269982a_100000225621_100000210910 [0,2,0,0,0,0|2,0,0]=4 1765 B11R0.103 CCCC(C)(C)C(=O)C(C)CC 1458a_100011215034_100000758301 [0,2,0,0,0,0|2,0,0]=4 1766 B11R0.103 CCCC(C)(C)C(=O)N(C)CC 11a_100000225621_100011215034 [0,2,0,0,0,0|2,0,0]=4 1767 B11R0.103 CCCC(C)(C)C(=O)N(C)CC 1626a_100000225621_100011215034 [0,2,0,0,0,0|2,0,0]=4 1768 B11R0.103 CCCC(C)(C)C(=O)N(C)CC 240690a_100000225621_100011215034 [0,2,0,0,0,0|2,0,0]=4 1769 B11R0.103 CCCC(C)(C)C(=O)N(C)CC 527a_100000225621_100011215034 [0,2,0,0,0,0|2,0,0]=4 1770 B11R0.103 CCOC(C)(C)C(=O)C(C)CC 1458a_100011458965_100000758301 [0,2,0,0,0,0|2,0,0]=4 1771 B11R0.103 CCOC(C)(C)C(=O)N(C)CC 11a_100000225621_100011458965 [0,2,0,0,0,0|2,0,0]=4 1772 B11R0.103 CCOC(C)(C)C(=O)N(C)CC 1626a_100000225621_100011458965 [0,2,0,0,0,0|2,0,0]=4 1773 B11R0.103 CCOC(C)(C)C(=O)N(C)CC 240690a_100000225621_100011458965 [0,2,0,0,0,0|2,0,0]=4 1774 B11R0.103 CCOC(C)(C)C(=O)N(C)CC 527a_100000225621_100011458965 [0,2,0,0,0,0|2,0,0]=4 1775 B11R0.128 CCC(C)(C)C(=O)N(C)C(C)C 11a_200000211004_100000749717 [0,2,0,0,0,0|2,0,0]=4 1776 B11R0.128 CCC(C)(C)C(=O)N(C)C(C)C 1626a_200000211004_100000749717 [0,2,0,0,0,0|2,0,0]=4 1777 B11R0.128 CCC(C)(C)C(=O)N(C)C(C)C 240690a_200000211004_100000749717 [0,2,0,0,0,0|2,0,0]=4 1778 B11R0.128 CCC(C)(C)C(=O)N(C)C(C)C 527a_200000211004_100000749717 [0,2,0,0,0,0|2,0,0]=4 1779 B11R0.128 CCC(C)(O)C(=O)C(C)C(=O)C 1458a_100011219770_100000179758 [0,2,0,0,0,0|1,0,1]=4 1780 B11R0.128 CCC(C)(O)C(=O)N(C)C(C)C 240690a_200000211004_100011219770 [0,2,0,0,0,0|1,0,0]=3 1781 B11R0.258 CCC(C)C(=O)C(C)(CC)CC 1458a_100000760562_100000758301 [0,2,0,0,0,0|2,0,0]=4 1782 B11R0.258 CCC(C)C(=O)C(C)(CC)CC 1458a_100011192722_100009817345 [0,2,0,0,0,0|2,0,0]=4 1783 B11R0.258 CCC(C)C(=O)C(C)(CO)CO 1458a_100000693232_100000758301 [0,2,0,0,0,0|2,0,0]=4 1784 B11R0.258 CCC(O)C(=O)C(C)(CC)CC 1458a_100011196387_100009817345 [0,2,0,0,0,0|2,0,0]=4 1785 B11R0.258 CCN(C)C(=O)C(C)(CC)CC 11a_100000225621_100000760562 [0,2,0,0,0,0|2,0,0]=4 1786 B11R0.258 CCN(C)C(=O)C(C)(CC)CC 1626a_100000225621_100000760562 [0,2,0,0,0,0|2,0,0]=4 1787 B11R0.258 CCN(C)C(=O)C(C)(CC)CC 240690a_100000225621_100000760562 [0,2,0,0,0,0|2,0,0]=4 1788 B11R0.258 CCN(C)C(=O)C(C)(CC)CC 527a_100000225621_100000760562 [0,2,0,0,0,0|2,0,0]=4 1789 B11R0.258 CCN(C)C(=O)C(C)(CO)CO 240690a_100000225621_100000693232 [0,2,0,0,0,0|2,0,0]=4 1790 B11R0.312 CCC(CC)C(=O)C(C)(C)CC 1458a_100000749717_100000210505 [0,2,0,0,0,0|2,0,0]=4 1791 B11R0.312 CCC(CC)C(=O)C(C)(O)CC 1458a_100011219770_100000210505 [0,2,0,0,0,0|1,0,0]=3 1792 B11R0.312 CCN(CC)C(=O)C(C)(C)CC 11a_100000724800_100000749717 [0,2,0,0,0,0|2,0,0]=4 1793 B11R0.312 CCN(CC)C(=O)C(C)(C)CC 1626a_100000724800_100000749717 [0,2,0,0,0,0|2,0,0]=4 1794 B11R0.312 CCN(CC)C(=O)C(C)(C)CC 240690a_100000724800_100000749717 [0,2,0,0,0,0|2,0,0]=4 1795 B11R0.312 CCN(CC)C(=O)C(C)(C)CC 527a_100000724800_100000749717 [0,2,0,0,0,0|2,0,0]=4 1796 B11R0.312 CCN(CC)C(=O)C(C)(O)CC 240690a_100000724800_100011219770 [0,2,0,0,0,0|1,0,0]=3 1797 B11R0.12 CC(C)(SCF)C(=O)OCCO 62a_100009817195_100015361967 [0,2,0,0,0,0|2,0,0]=4 1798 B11R0.12 CC(C)(SCF)C(=O)OCCO 62a_100015361967_100009817195 [0,2,0,0,0,0|2,0,0]=4 1799 B11R0.12 CCCC(C)(C)C(=O)CCCF 1458a_100011215034_100011934791 [0,2,0,0,0,0|2,0,0]=4 1800 B11R0.12 CCCC(C)(C)C(=O)CCCO 1458a_100011215034_100011215043 [0,2,0,0,0,0|2,0,0]=4 1801 B11R0.12 CCCC(C)(C)C(=O)CCOC 1458a_100011215034_100000233755 [0,2,0,0,0,0|2,0,0]=4 1802 B11R0.12 CCCC(C)(C)C(=O)CCSC 1458a_100011215034_100000751147 [0,2,0,0,0,0|2,0,0]=4 1803 B11R0.12 CCCC(C)(C)C(=O)NCCF 11a_100000724931_100011215034 [0,2,0,0,0,0|2,0,0]=4 1804 B11R0.12 CCCC(C)(C)C(=O)NCCF 1626a_100000724931_100011215034 [0,2,0,0,0,0|2,0,0]=4 1805 B11R0.12 CCCC(C)(C)C(=O)NCCF 240690a_100000724931_100011215034 [0,2,0,0,0,0|2,0,0]=4 1806 B11R0.12 CCCC(C)(C)C(=O)NCCF 527a_100000724931_100011215034 [0,2,0,0,0,0|2,0,0]=4 1807 B11R0.12 CCCC(C)(C)C(=O)NCCO 240690a_100000210304_100011215034 [0,2,0,0,0,0|2,0,0]=4 1808 B11R0.12 CCCC(C)(C)C(=O)NCCO 527a_100000210304_100011215034 [0,2,0,0,0,0|2,0,0]=4 1809 B11R0.12 CCCC(C)(C)C(=O)NNCC 22a_100000756455_100011215034 [0,2,0,0,0,0|2,0,0]=4 1810 B11R0.12 CCCCC(=O)C(C)(C)CCC 1458a_100011215034_100000210211 [0,2,0,0,0,0|2,0,0]=4 1811 B11R0.12 CCCCC(=O)C(C)(C)OCC 1458a_100011458965_100000210211 [0,2,0,0,0,0|2,0,0]=4 1812 B11R0.12 CCCNC(=O)C(C)(C)CCC 11a_100020643023_100011215034 [0,2,0,0,0,0|2,0,0]=4 1813 B11R0.12 CCCNC(=O)C(C)(C)CCC 1626a_100020643023_100011215034 [0,2,0,0,0,0|2,0,0]=4 1814 B11R0.12 CCCNC(=O)C(C)(C)CCC 240690a_100020643023_100011215034 [0,2,0,0,0,0|2,0,0]=4 1815 B11R0.12 CCCNC(=O)C(C)(C)CCC 527a_100020643023_100011215034 [0,2,0,0,0,0|2,0,0]=4 1816 B11R0.12 CCCNC(=O)C(C)(C)OCC 11a_100020643023_100011458965 [0,2,0,0,0,0|2,0,0]=4 1817 B11R0.12 CCCNC(=O)C(C)(C)OCC 1626a_100020643023_100011458965 [0,2,0,0,0,0|2,0,0]=4 1818 B11R0.12 CCCNC(=O)C(C)(C)OCC 240690a_100020643023_100011458965 [0,2,0,0,0,0|2,0,0]=4 1819 B11R0.12 CCCNC(=O)C(C)(C)OCC 527a_100020643023_100011458965 [0,2,0,0,0,0|2,0,0]=4 1820 B11R0.12 CCNC(C)(C)C(=O)OCCO 2230a_100015525214_100009817195 [0,2,0,0,0,0|1,0,0]=3 1821 B11R0.12 CCNNC(=O)C(C)(C)OCC 22a_100000756455_100011458965 [0,2,0,0,0,0|2,0,0]=4 1822 B11R0.12 CCOC(C)(C)C(=O)CCCF 1458a_100011458965_100011934791 [0,2,0,0,0,0|2,0,0]=4 1823 B11R0.12 CCOC(C)(C)C(=O)CCCO 1458a_100011458965_100011215043 [0,2,0,0,0,0|2,0,0]=4 1824 B11R0.12 CCOC(C)(C)C(=O)CCOC 1458a_100011458965_100000233755 [0,2,0,0,0,0|2,0,0]=4 1825 B11R0.12 CCOC(C)(C)C(=O)CCSC 1458a_100011458965_100000751147 [0,2,0,0,0,0|2,0,0]=4 1826 B11R0.12 CCOC(C)(C)C(=O)NCCF 11a_100000724931_100011458965 [0,2,0,0,0,0|2,0,0]=4 1827 B11R0.12 CCOC(C)(C)C(=O)NCCF 1626a_100000724931_100011458965 [0,2,0,0,0,0|2,0,0]=4 1828 B11R0.12 CCOC(C)(C)C(=O)NCCF 240690a_100000724931_100011458965 [0,2,0,0,0,0|2,0,0]=4 1829 B11R0.12 CCOC(C)(C)C(=O)NCCF 527a_100000724931_100011458965 [0,2,0,0,0,0|2,0,0]=4 1830 B11R0.12 CCOC(C)(C)C(=O)NCCO 240690a_100000210304_100011458965 [0,2,0,0,0,0|2,0,0]=4 1831 B11R0.12 CCOC(C)(C)C(=O)NCCO 527a_100000210304_100011458965 [0,2,0,0,0,0|2,0,0]=4 1832 B11R0.12 CCOC(C)(C)C(=O)OCCO 34a_100121572206_100009817195 [0,2,0,0,0,0|1,0,0]=3 1833 B11R0.12 CCSC(C)(C)C(=O)OCCO 62a_100000210202_100009817195 [0,2,0,0,0,0|1,0,0]=3 1834 B11R0.12 CCSC(C)(C)C(=O)OCCO 62a_100009817195_100000210202 [0,2,0,0,0,0|1,0,0]=3 1835 B11R0.13 CC(CO)(CO)C(=O)CCCF 1458a_100000693232_100011934791 [0,2,0,0,0,0|2,0,0]=4 1836 B11R0.13 CC(CO)(CO)C(=O)CCCO 1458a_100000693232_100011215043 [0,2,0,0,0,0|2,0,0]=4 1837 B11R0.13 CC(CO)(CO)C(=O)NCCF 240690a_100000724931_100000693232 [0,2,0,0,0,0|2,0,0]=4 1838 B11R0.13 CC(CO)(CO)C(=O)NCCO 240690a_100000210304_100000693232 [0,2,0,0,0,0|2,0,0]=4 1839 B11R0.13 CCC#CC(=O)C(C)(CC)CC 1458a_100011827653_100009817345 [0,2,0,0,0,0|2,0,0]=4 1840 B11R0.13 CCC(C)(CC)C(=O)CCCF 1458a_100000760562_100011934791 [0,2,0,0,0,0|2,0,0]=4 1841 B11R0.13 CCC(C)(CC)C(=O)CCCO 1458a_100000760562_100011215043 [0,2,0,0,0,0|2,0,0]=4 1842 B11R0.13 CCC(C)(CC)C(=O)CCOC 1458a_100000749529_100009817345 [0,2,0,0,0,0|2,0,0]=4 1843 B11R0.13 CCC(C)(CC)C(=O)CCOC 1458a_100000760562_100000233755 [0,2,0,0,0,0|2,0,0]=4 1844 B11R0.13 CCC(C)(CC)C(=O)CCSC 1458a_100000174002_100009817345 [0,2,0,0,0,0|2,0,0]=4 1845 B11R0.13 CCC(C)(CC)C(=O)CCSC 1458a_100000760562_100000751147 [0,2,0,0,0,0|2,0,0]=4 1846 B11R0.13 CCC(C)(CC)C(=O)NCCF 11a_100000724931_100000760562 [0,2,0,0,0,0|2,0,0]=4 1847 B11R0.13 CCC(C)(CC)C(=O)NCCF 1626a_100000724931_100000760562 [0,2,0,0,0,0|2,0,0]=4 1848 B11R0.13 CCC(C)(CC)C(=O)NCCF 240690a_100000724931_100000760562 [0,2,0,0,0,0|2,0,0]=4 1849 B11R0.13 CCC(C)(CC)C(=O)NCCF 527a_100000724931_100000760562 [0,2,0,0,0,0|2,0,0]=4 1850 B11R0.13 CCC(C)(CC)C(=O)NCCO 240690a_100000210304_100000760562 [0,2,0,0,0,0|2,0,0]=4 1851 B11R0.13 CCC(C)(CC)C(=O)NCCO 527a_100000210304_100000760562 [0,2,0,0,0,0|2,0,0]=4 1852 B11R0.13 CCC=CC(=O)C(C)(CC)CC 1458a_100000212282_100009817345 [0,2,0,0,0,0|2,0,0]=4 1853 B11R0.13 CCCCC(=O)C(C)(CC)CC 1458a_100000210183_100009817345 [0,2,0,0,0,0|2,0,0]=4 1854 B11R0.13 CCCCC(=O)C(C)(CC)CC 1458a_100000760562_100000210211 [0,2,0,0,0,0|2,0,0]=4 1855 B11R0.13 CCCCC(=O)C(C)(CO)CO 1458a_100000693232_100000210211 [0,2,0,0,0,0|2,0,0]=4 1856 B11R0.13 CCCNC(=O)C(C)(CC)CC 11a_100020643023_100000760562 [0,2,0,0,0,0|2,0,0]=4 1857 B11R0.13 CCCNC(=O)C(C)(CC)CC 1626a_100020643023_100000760562 [0,2,0,0,0,0|2,0,0]=4 1858 B11R0.13 CCCNC(=O)C(C)(CC)CC 240690a_100020643023_100000760562 [0,2,0,0,0,0|2,0,0]=4 1859 B11R0.13 CCCNC(=O)C(C)(CC)CC 527a_100020643023_100000760562 [0,2,0,0,0,0|2,0,0]=4 1860 B11R0.13 CCCNC(=O)C(C)(CO)CO 240690a_100020643023_100000693232 [0,2,0,0,0,0|2,0,0]=4 1861 B11R0.13 CCNNC(=O)C(C)(CC)CC 22a_100000756455_100000760562 [0,2,0,0,0,0|2,0,0]=4 1862 B11R0.13 CCNNC(=O)C(C)(CO)CO 22a_100000756455_100000693232 [0,2,0,0,0,0|2,0,0]=4 1863 B11R0.13 CCOCC(=O)C(C)(CC)CC 1458a_100000211967_100009817345 [0,2,0,0,0,0|1,0,0]=3 1864 B11R0.13 CCSCC(=O)C(C)(CC)CC 1458a_100000230394_100009817345 [0,2,0,0,0,0|1,1,0]=4 1865 B11R0.13 COCCC(=O)C(C)(CO)CO 1458a_100000693232_100000233755 [0,2,0,0,0,0|2,0,0]=4 1866 B11R0.13 CSCCC(=O)C(C)(CO)CO 1458a_100000693232_100000751147 [0,2,0,0,0,0|2,0,0]=4 1867 B11R0.50 C#CC(C)NC(=O)C(C)(C)CC 11a_100000707721_100000749717 [0,2,0,0,0,0|2,0,0]=4 1868 B11R0.50 C#CC(C)NC(=O)C(C)(C)CC 1626a_100000707721_100000749717 [0,2,0,0,0,0|2,0,0]=4 1869 B11R0.50 C#CC(C)NC(=O)C(C)(C)CC 240690a_100000707721_100000749717 [0,2,0,0,0,0|2,0,0]=4 1870 B11R0.50 C#CC(C)NC(=O)C(C)(C)CC 527a_100000707721_100000749717 [0,2,0,0,0,0|2,0,0]=4 1871 B11R0.50 C#CC(C)NC(=O)C(C)(O)CC 240690a_100000707721_100011219770 [0,2,0,0,0,0|1,0,0]=3 1872 B11R0.50 CCC(=O)CC(=O)C(C)(C)CC 1458a_100000749717_100000747405 [0,2,0,0,0,0|2,0,0]=4 1873 B11R0.50 CCC(=O)CC(=O)C(C)(O)CC 1458a_100011219770_100000747405 [0,2,0,0,0,0|1,0,0]=3 1874 B11R0.50 CCC(C)(C)C(=O)C[C@@H](C)CO 1458a_100000749717_100000059175 [0,2,0,0,0,0|2,0,0]=4 1875 B11R0.50 CCC(C)(C)C(=O)NC(C)C#N 11a_100000737613_100000749717 [0,2,0,0,0,0|2,0,0]=4 1876 B11R0.50 CCC(C)(C)C(=O)NC(C)C#N 1626a_100000737613_100000749717 [0,2,0,0,0,0|2,0,0]=4 1877 B11R0.50 CCC(C)(C)C(=O)NC(C)C#N 527a_100000737613_100000749717 [0,2,0,0,0,0|2,0,0]=4 1878 B11R0.50 CCC(C)(C)C(=O)N[C@H](C)CF 11a_100102880703_100000749717 [0,2,0,0,0,0|2,0,0]=4 1879 B11R0.50 CCC(C)(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000749717 [0,2,0,0,0,0|2,0,0]=4 1880 B11R0.50 CCC(C)(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000749717 [0,2,0,0,0,0|2,0,0]=4 1881 B11R0.50 CCC(C)(C)C(=O)N[C@H](C)CF 527a_100102880703_100000749717 [0,2,0,0,0,0|2,0,0]=4 1882 B11R0.50 CCC(C)(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000749717 [0,2,0,0,0,0|2,0,0]=4 1883 B11R0.50 CCC(C)(C)C(=O)N[C@H](C)CO 527a_100000737577_100000749717 [0,2,0,0,0,0|2,0,0]=4 1884 B11R0.50 CCC(C)(O)C(=O)CC(=O)NC 1458a_100011219770_100000183359 [0,2,0,0,0,0|1,0,1]=4 1885 B11R0.50 CCC(C)(O)C(=O)CC(=O)OC 1458a_100011219770_100000747449 [0,2,0,0,0,0|1,0,1]=4 1886 B11R0.50 CCC(C)(O)C(=O)C[C@@H](C)CO 1458a_100011219770_100000059175 [0,2,0,0,0,0|1,0,0]=3 1887 B11R0.50 CCC(C)(O)C(=O)N[C@H](C)CF 240690a_100102880703_100011219770 [0,2,0,0,0,0|1,0,0]=3 1888 B11R0.50 CCC(C)(O)C(=O)N[C@H](C)CO 240690a_100000737577_100011219770 [0,2,0,0,0,0|1,0,0]=3 1889 B11R0.50 CCC(C)CC(=O)C(C)(C)CC 1458a_100000749717_100000748023 [0,2,0,0,0,0|2,0,0]=4 1890 B11R0.50 CCC(C)CC(=O)C(C)(O)CC 1458a_100011219770_100000748023 [0,2,0,0,0,0|1,0,0]=3 1891 B11R0.50 CCC(C)NC(=O)C(C)(C)CC 11a_100000209981_100000749717 [0,2,0,0,0,0|2,0,0]=4 1892 B11R0.50 CCC(C)NC(=O)C(C)(C)CC 1626a_100000209981_100000749717 [0,2,0,0,0,0|2,0,0]=4 1893 B11R0.50 CCC(C)NC(=O)C(C)(C)CC 240690a_100000209981_100000749717 [0,2,0,0,0,0|2,0,0]=4 1894 B11R0.50 CCC(C)NC(=O)C(C)(C)CC 527a_100000209981_100000749717 [0,2,0,0,0,0|2,0,0]=4 1895 B11R0.50 CCC(C)NC(=O)C(C)(O)CC 240690a_100000209981_100011219770 [0,2,0,0,0,0|1,0,0]=3 1896 B11R0.50 CCC(O)CC(=O)C(C)(C)CC 1458a_100000749717_100011218378 [0,2,0,0,0,0|2,0,0]=4 1897 B11R0.50 CCC(O)CC(=O)C(C)(O)CC 1458a_100011219770_100011218378 [0,2,0,0,0,0|1,0,0]=3 1898 B11R0.50 CC[C@H](C)CC(=O)C(C)(C)CC 1458a_100000749717_100009816398 [0,2,0,0,0,0|2,0,0]=4 1899 B11R0.50 CC[C@H](C)CC(=O)C(C)(O)CC 1458a_100011219770_100009816398 [0,2,0,0,0,0|1,0,0]=3 1900 B11R0.87 C#CCCCC(=O)C(C)(C)CC 1458a_100000749717_100000731252 [0,2,0,0,0,0|2,0,0]=4 1901 B11R0.87 C#CCCCC(=O)C(C)(O)CC 1458a_100011219770_100000731252 [0,2,0,0,0,0|1,0,0]=3 1902 B11R0.87 C#CCCNC(=O)C(C)(C)CC 11a_100000755551_100000749717 [0,2,0,0,0,0|2,0,0]=4 1903 B11R0.87 C#CCCNC(=O)C(C)(C)CC 1626a_100000755551_100000749717 [0,2,0,0,0,0|2,0,0]=4 1904 B11R0.87 C#CCCNC(=O)C(C)(C)CC 240690a_100000755551_100000749717 [0,2,0,0,0,0|2,0,0]=4 1905 B11R0.87 C#CCCNC(=O)C(C)(C)CC 527a_100000755551_100000749717 [0,2,0,0,0,0|2,0,0]=4 1906 B11R0.87 C#CCCNC(=O)C(C)(O)CC 240690a_100000755551_100011219770 [0,2,0,0,0,0|1,0,0]=3 1907 B11R0.87 C=CCCCC(=O)C(C)(C)CC 1458a_100000749717_100000757094 [0,2,0,0,0,0|2,0,0]=4 1908 B11R0.87 C=CCCCC(=O)C(C)(O)CC 1458a_100011219770_100000757094 [0,2,0,0,0,0|1,0,0]=3 1909 B11R0.87 C=CCCNC(=O)C(C)(C)CC 11a_100015191253_100000749717 [0,2,0,0,0,0|2,0,0]=4 1910 B11R0.87 C=CCCNC(=O)C(C)(C)CC 1626a_100015191253_100000749717 [0,2,0,0,0,0|2,0,0]=4 1911 B11R0.87 C=CCCNC(=O)C(C)(C)CC 240690a_100015191253_100000749717 [0,2,0,0,0,0|2,0,0]=4 1912 B11R0.87 C=CCCNC(=O)C(C)(C)CC 527a_100015191253_100000749717 [0,2,0,0,0,0|2,0,0]=4 1913 B11R0.87 C=CCCNC(=O)C(C)(O)CC 240690a_100015191253_100011219770 [0,2,0,0,0,0|1,0,0]=3 1914 B11R0.87 C=CCNNC(=O)C(C)(O)CC 22a_100020588587_100011219770 [0,2,0,0,0,0|1,0,1]=4 1915 B11R0.87 C=COCCC(=O)C(C)(O)CC 1458a_100011219770_100000039644 [0,2,0,0,0,0|0,0,2]=4 1916 B11R0.87 CC#CCNC(=O)C(C)(C)CC 11a_100000685387_100000749717 [0,2,0,0,0,0|2,0,0]=4 1917 B11R0.87 CC#CCNC(=O)C(C)(C)CC 1626a_100000685387_100000749717 [0,2,0,0,0,0|2,0,0]=4 1918 B11R0.87 CC#CCNC(=O)C(C)(C)CC 527a_100000685387_100000749717 [0,2,0,0,0,0|2,0,0]=4 1919 B11R0.87 CC/C=C\CC(=O)C(C)(C)CC 1458a_100000749717_100103147603 [0,2,0,0,0,0|2,0,0]=4 1920 B11R0.87 CC/C=C\CC(=O)C(C)(O)CC 1458a_100011219770_100103147603 [0,2,0,0,0,0|1,0,0]=3 1921 B11R0.87 CCC#CCC(=O)C(C)(C)CC 1458a_100000749717_100009813939 [0,2,0,0,0,0|2,0,0]=4 1922 B11R0.87 CCC#CCC(=O)C(C)(O)CC 1458a_100011219770_100009813939 [0,2,0,0,0,0|1,0,0]=3 1923 B11R0.87 CCC(C)(C)C(=O)CCCC#N 1458a_100000749717_100000211468 [0,2,0,0,0,0|2,0,0]=4 1924 B11R0.87 CCC(C)(C)C(=O)CCCCF 1458a_100000749717_100000729493 [0,2,0,0,0,0|2,0,0]=4 1925 B11R0.87 CCC(C)(C)C(=O)CCCCO 1458a_100000749717_100000210776 [0,2,0,0,0,0|2,0,0]=4 1926 B11R0.87 CCC(C)(C)C(=O)CCCOC 1458a_100000749717_100000740836 [0,2,0,0,0,0|2,0,0]=4 1927 B11R0.87 CCC(C)(C)C(=O)NCCC#N 11a_100000720768_100000749717 [0,2,0,0,0,0|2,0,0]=4 1928 B11R0.87 CCC(C)(C)C(=O)NCCC#N 1626a_100000720768_100000749717 [0,2,0,0,0,0|2,0,0]=4 1929 B11R0.87 CCC(C)(C)C(=O)NCCC#N 240690a_100000720768_100000749717 [0,2,0,0,0,0|2,0,0]=4 1930 B11R0.87 CCC(C)(C)C(=O)NCCC#N 527a_100000720768_100000749717 [0,2,0,0,0,0|2,0,0]=4 1931 B11R0.87 CCC(C)(C)C(=O)NCCCF 11a_100015189416_100000749717 [0,2,0,0,0,0|2,0,0]=4 1932 B11R0.87 CCC(C)(C)C(=O)NCCCF 1626a_100015189416_100000749717 [0,2,0,0,0,0|2,0,0]=4 1933 B11R0.87 CCC(C)(C)C(=O)NCCCF 240690a_100015189416_100000749717 [0,2,0,0,0,0|2,0,0]=4 1934 B11R0.87 CCC(C)(C)C(=O)NCCCF 527a_100015189416_100000749717 [0,2,0,0,0,0|2,0,0]=4 1935 B11R0.87 CCC(C)(C)C(=O)NCCCO 240690a_100000182051_100000749717 [0,2,0,0,0,0|2,0,0]=4 1936 B11R0.87 CCC(C)(C)C(=O)NCCCO 527a_100000182051_100000749717 [0,2,0,0,0,0|2,0,0]=4 1937 B11R0.87 CCC(C)(C)C(=O)NCCOC 1626a_100000209980_100000749717 [0,2,0,0,0,0|2,0,0]=4 1938 B11R0.87 CCC(C)(C)C(=O)NCCOC 240690a_100000209980_100000749717 [0,2,0,0,0,0|2,0,0]=4 1939 B11R0.87 CCC(C)(C)C(=O)NCCOC 527a_100000209980_100000749717 [0,2,0,0,0,0|2,0,0]=4 1940 B11R0.87 CCC(C)(C)C(=O)NCCSC 11a_100020590264_100000749717 [0,2,0,0,0,0|2,0,0]=4 1941 B11R0.87 CCC(C)(C)C(=O)NCCSC 1626a_100020590264_100000749717 [0,2,0,0,0,0|2,0,0]=4 1942 B11R0.87 CCC(C)(C)C(=O)NCCSC 240690a_100020590264_100000749717 [0,2,0,0,0,0|2,0,0]=4 1943 B11R0.87 CCC(C)(C)C(=O)NCCSC 527a_100020590264_100000749717 [0,2,0,0,0,0|2,0,0]=4 1944 B11R0.87 CCC(C)(C)C(=O)NNCCO 22a_100000210001_100000749717 [0,2,0,0,0,0|2,0,0]=4 1945 B11R0.87 CCC(C)(O)C(=O)CC#CCO 1458a_100011219770_200000047223 [0,2,0,0,0,0|1,0,1]=4 1946 B11R0.87 CCC(C)(O)C(=O)CCCC#N 1458a_100011219770_100000211468 [0,2,0,0,0,0|1,0,0]=3 1947 B11R0.87 CCC(C)(O)C(=O)CCCCF 1458a_100011219770_100000729493 [0,2,0,0,0,0|1,0,0]=3 1948 B11R0.87 CCC(C)(O)C(=O)CCCCO 1458a_100011219770_100000210776 [0,2,0,0,0,0|1,0,0]=3 1949 B11R0.87 CCC(C)(O)C(=O)CCCOC 1458a_100011219770_100000740836 [0,2,0,0,0,0|1,0,0]=3 1950 B11R0.87 CCC(C)(O)C(=O)NCCC#N 240690a_100000720768_100011219770 [0,2,0,0,0,0|1,0,0]=3 1951 B11R0.87 CCC(C)(O)C(=O)NCCCF 240690a_100015189416_100011219770 [0,2,0,0,0,0|1,0,0]=3 1952 B11R0.87 CCC(C)(O)C(=O)NCCCO 240690a_100000182051_100011219770 [0,2,0,0,0,0|1,0,0]=3 1953 B11R0.87 CCC(C)(O)C(=O)NCCOC 240690a_100000209980_100011219770 [0,2,0,0,0,0|1,0,0]=3 1954 B11R0.87 CCC(C)(O)C(=O)NCCSC 240690a_100020590264_100011219770 [0,2,0,0,0,0|1,0,0]=3 1955 B11R0.87 CCC(C)(O)C(=O)NNCCO 22a_100000210001_100011219770 [0,2,0,0,0,0|1,0,0]=3 1956 B11R0.87 CCCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210326 [0,2,0,0,0,0|2,0,0]=4 1957 B11R0.87 CCCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210326 [0,2,0,0,0,0|1,0,0]=3 1958 B11R0.87 CCCCNC(=O)C(C)(C)CC 11a_100000102301_100000749717 [0,2,0,0,0,0|2,0,0]=4 1959 B11R0.87 CCCCNC(=O)C(C)(C)CC 1626a_100000102301_100000749717 [0,2,0,0,0,0|2,0,0]=4 1960 B11R0.87 CCCCNC(=O)C(C)(C)CC 240690a_100000102301_100000749717 [0,2,0,0,0,0|2,0,0]=4 1961 B11R0.87 CCCCNC(=O)C(C)(C)CC 527a_100000102301_100000749717 [0,2,0,0,0,0|2,0,0]=4 1962 B11R0.87 CCCCNC(=O)C(C)(O)CC 240690a_100000102301_100011219770 [0,2,0,0,0,0|1,0,0]=3 1963 B11R0.87 CCCNNC(=O)C(C)(C)CC 22a_100000740057_100000749717 [0,2,0,0,0,0|2,0,0]=4 1964 B11R0.87 CCCNNC(=O)C(C)(O)CC 22a_100000740057_100011219770 [0,2,0,0,0,0|1,0,0]=3 1965 B11R0.87 CCOCCC(=O)C(C)(C)CC 1458a_100000749717_100011215890 [0,2,0,0,0,0|1,0,0]=3 1966 B11R0.87 CCOCCC(=O)C(C)(C)CF 1458a_100000138116_100011215890 [0,2,0,0,0,0|2,0,0]=4 1967 B11R0.87 CCOCCC(=O)C(C)(C)CO 1458a_100000749806_100011215890 [0,2,0,0,0,0|2,0,0]=4 1968 B11R0.87 CCOCCC(=O)C(C)(C)OC 1458a_100000753492_100011215890 [0,2,0,0,0,0|2,0,0]=4 1969 B11R0.87 CCOCCC(=O)C(C)(O)CC 1458a_100011219770_100011215890 [0,2,0,0,0,0|0,0,0]=2 1970 B11R0.87 CCOCCC(=O)C(F)(F)CC 1458a_100000061896_100011215890 [0,2,0,0,0,0|2,0,0]=4 1971 B11R0.87 CCSCCC(=O)C(C)(C)CC 1458a_100000749717_100000757381 [0,2,0,0,0,0|1,1,0]=4 1972 B11R0.87 CCSCCC(=O)C(C)(O)CC 1458a_100011219770_100000757381 [0,2,0,0,0,0|0,1,0]=3 1973 B11R0.129 C=C(C)CCC(=O)C(C)(C)CC 1458a_100000749717_100000730704 [0,2,0,0,0,0|2,0,0]=4 1974 B11R0.129 C=C(C)CCC(=O)C(C)(O)CC 1458a_100011219770_100000730704 [0,2,0,0,0,0|1,0,0]=3 1975 B11R0.129 C=C(C)CNC(=O)C(C)(C)CC 11a_100000765925_100000749717 [0,2,0,0,0,0|2,0,0]=4 1976 B11R0.129 C=C(C)CNC(=O)C(C)(C)CC 1626a_100000765925_100000749717 [0,2,0,0,0,0|2,0,0]=4 1977 B11R0.129 C=C(C)CNC(=O)C(C)(C)CC 240690a_100000765925_100000749717 [0,2,0,0,0,0|2,0,0]=4 1978 B11R0.129 C=C(C)CNC(=O)C(C)(C)CC 527a_100000765925_100000749717 [0,2,0,0,0,0|2,0,0]=4 1979 B11R0.129 C=C(C)CNC(=O)C(C)(O)CC 240690a_100000765925_100011219770 [0,2,0,0,0,0|1,0,0]=3 1980 B11R0.129 CCC(C)(C)C(=O)CCC(C)C 1458a_100000749717_100000210312 [0,2,0,0,0,0|2,0,0]=4 1981 B11R0.129 CCC(C)(C)C(=O)CCC(C)O 1458a_100000749717_100012276601 [0,2,0,0,0,0|2,0,0]=4 1982 B11R0.129 CCC(C)(C)C(=O)NCC(C)C 11a_100000210953_100000749717 [0,2,0,0,0,0|2,0,0]=4 1983 B11R0.129 CCC(C)(C)C(=O)NCC(C)C 1626a_100000210953_100000749717 [0,2,0,0,0,0|2,0,0]=4 1984 B11R0.129 CCC(C)(C)C(=O)NCC(C)C 240690a_100000210953_100000749717 [0,2,0,0,0,0|2,0,0]=4 1985 B11R0.129 CCC(C)(C)C(=O)NCC(C)C 527a_100000210953_100000749717 [0,2,0,0,0,0|2,0,0]=4 1986 B11R0.129 CCC(C)(C)C(=O)NCC(C)O 11a_100000210904_100000749717 [0,2,0,0,0,0|2,0,0]=4 1987 B11R0.129 CCC(C)(C)C(=O)NCC(C)O 240690a_100000210904_100000749717 [0,2,0,0,0,0|2,0,0]=4 1988 B11R0.129 CCC(C)(C)C(=O)NCC(C)O 527a_100000210904_100000749717 [0,2,0,0,0,0|2,0,0]=4 1989 B11R0.129 CCC(C)(C)C(=O)NCC(F)F 11a_100000765723_100000749717 [0,2,0,0,0,0|2,0,0]=4 1990 B11R0.129 CCC(C)(C)C(=O)NCC(F)F 1626a_100000765723_100000749717 [0,2,0,0,0,0|2,0,0]=4 1991 B11R0.129 CCC(C)(C)C(=O)NCC(F)F 240690a_100000765723_100000749717 [0,2,0,0,0,0|2,0,0]=4 1992 B11R0.129 CCC(C)(C)C(=O)NCC(F)F 527a_100000765723_100000749717 [0,2,0,0,0,0|2,0,0]=4 1993 B11R0.129 CCC(C)(C)C(=O)NNC(C)C 22a_100000741168_100000749717 [0,2,0,0,0,0|2,0,0]=4 1994 B11R0.129 CCC(C)(O)C(=O)CC=C(C)C 1458a_100011219770_100000761012 [0,2,0,0,0,0|1,0,1]=4 1995 B11R0.129 CCC(C)(O)C(=O)CCC(C)C 1458a_100011219770_100000210312 [0,2,0,0,0,0|1,0,0]=3 1996 B11R0.129 CCC(C)(O)C(=O)CCC(C)O 1458a_100011219770_100012276601 [0,2,0,0,0,0|1,0,0]=3 1997 B11R0.129 CCC(C)(O)C(=O)NCC(=O)N 240690a_100000711301_100011219770 [0,2,0,0,0,0|1,0,1]=4 1998 B11R0.129 CCC(C)(O)C(=O)NCC(C)C 240690a_100000210953_100011219770 [0,2,0,0,0,0|1,0,0]=3 1999 B11R0.129 CCC(C)(O)C(=O)NCC(C)O 240690a_100000210904_100011219770 [0,2,0,0,0,0|1,0,0]=3 2000 B11R0.129 CCC(C)(O)C(=O)NCC(F)F 240690a_100000765723_100011219770 [0,2,0,0,0,0|1,0,0]=3 2001 B11R0.129 CCC(C)(O)C(=O)NNC(=O)C 22a_100000189765_100011219770 [0,2,0,0,0,0|1,0,1]=4 2002 B11R0.129 CCC(C)(O)C(=O)NNC(C)C 22a_100000741168_100011219770 [0,2,0,0,0,0|1,0,0]=3 2003 B11R0.99 CC(C)OC(=O)C(C)(C)SCF 62a_100009814322_100015361967 [0,2,0,0,0,0|2,0,0]=4 2004 B11R0.99 CC(C)OC(=O)C(C)(C)SCF 62a_100015361967_100009814322 [0,2,0,0,0,0|2,0,0]=4 2005 B11R0.99 CCCC(C)(C)C(=O)CC(C)C 1458a_100011215034_100000210624 [0,2,0,0,0,0|2,0,0]=4 2006 B11R0.99 CCCC(C)(C)C(=O)CC(C)O 1458a_100011215034_100011218427 [0,2,0,0,0,0|2,0,0]=4 2007 B11R0.99 CCCC(C)(C)C(=O)NC(C)C 11a_100138425928_100011215034 [0,2,0,0,0,0|2,0,0]=4 2008 B11R0.99 CCCC(C)(C)C(=O)NC(C)C 1626a_100138425928_100011215034 [0,2,0,0,0,0|2,0,0]=4 2009 B11R0.99 CCCC(C)(C)C(=O)NC(C)C 240690a_100138425928_100011215034 [0,2,0,0,0,0|2,0,0]=4 2010 B11R0.99 CCCC(C)(C)C(=O)NC(C)C 527a_100138425928_100011215034 [0,2,0,0,0,0|2,0,0]=4 2011 B11R0.99 CCNC(C)(C)C(=O)OC(C)C 2230a_100015525214_100009814322 [0,2,0,0,0,0|1,0,0]=3 2012 B11R0.99 CCOC(C)(C)C(=O)CC(C)C 1458a_100011458965_100000210624 [0,2,0,0,0,0|2,0,0]=4 2013 B11R0.99 CCOC(C)(C)C(=O)CC(C)O 1458a_100011458965_100011218427 [0,2,0,0,0,0|2,0,0]=4 2014 B11R0.99 CCOC(C)(C)C(=O)NC(C)C 11a_100138425928_100011458965 [0,2,0,0,0,0|2,0,0]=4 2015 B11R0.99 CCOC(C)(C)C(=O)NC(C)C 1626a_100138425928_100011458965 [0,2,0,0,0,0|2,0,0]=4 2016 B11R0.99 CCOC(C)(C)C(=O)NC(C)C 240690a_100138425928_100011458965 [0,2,0,0,0,0|2,0,0]=4 2017 B11R0.99 CCOC(C)(C)C(=O)NC(C)C 527a_100138425928_100011458965 [0,2,0,0,0,0|2,0,0]=4 2018 B11R0.99 CCSC(C)(C)C(=O)OC(C)C 62a_100000210202_100009814322 [0,2,0,0,0,0|1,0,0]=3 2019 B11R0.99 CCSC(C)(C)C(=O)OC(C)C 62a_100009814322_100000210202 [0,2,0,0,0,0|1,0,0]=3 2020 B11R0.322 CC(C)(C)OC(=O)C(C)(C)O[13CH3] 34a_100000032877_200025704644 [0,2,0,0,0,0|2,0,0]=4 2021 B11R0.322 CC(C)(C)OC(=O)C(C)(C)O[13CH3] 7a_100000032877_200025704644 [0,2,0,0,0,0|2,0,0]=4 2022 B11R0.322 CC(C)(C)OC(=O)C(C)(C)S[13CH3] 62a_100009812878_200025704644 [0,2,0,0,0,0|2,0,0]=4 2023 B11R0.322 CC(C)(C)OC(=O)C(C)(C)S[13CH3] 62a_200025704644_100009812878 [0,2,0,0,0,0|2,0,0]=4 2024 B11R0.322 CCC(C)(C)C(=O)NC(C)(C)C 11a_100000715429_100000749717 [0,2,0,0,0,0|2,0,0]=4 2025 B11R0.322 CCC(C)(C)C(=O)NC(C)(C)C 1626a_100000715429_100000749717 [0,2,0,0,0,0|2,0,0]=4 2026 B11R0.322 CCC(C)(C)C(=O)NC(C)(C)C 240690a_100000715429_100000749717 [0,2,0,0,0,0|2,0,0]=4 2027 B11R0.322 CCC(C)(C)C(=O)NC(C)(C)C 527a_100000715429_100000749717 [0,2,0,0,0,0|2,0,0]=4 2028 B11R0.322 CCC(C)(O)C(=O)C[Si](C)(C)C 1458a_100011219770_100000233785 [0,2,0,0,0,0|1,1,0]=4 2029 B11R0.322 CCC(C)(O)C(=O)NC(C)(C)C 240690a_100000715429_100011219770 [0,2,0,0,0,0|1,0,0]=3 2030 B11R0.322 CNC(C)(C)C(=O)OC(C)(C)C 2230a_106832991635_100009812878 [0,2,0,0,0,0|2,0,0]=4 2031 B11R0.322 CNC(C)(C)C(=O)OC(C)(C)C 7a_106832991635_100009812878 [0,2,0,0,0,0|2,0,0]=4 2032 B11R0.322 COC(C)(C)C(=O)OC(C)(C)C 34a_100000032877_200000210301 [0,2,0,0,0,0|2,0,0]=4 2033 B11R0.322 COC(C)(C)C(=O)OC(C)(C)C 7a_100000032877_200000210301 [0,2,0,0,0,0|2,0,0]=4 2034 B11R0.322 CSC(C)(C)C(=O)OC(C)(C)C 62a_100009812878_200000210301 [0,2,0,0,0,0|2,0,0]=4 2035 B11R0.322 CSC(C)(C)C(=O)OC(C)(C)C 62a_200000210301_100009812878 [0,2,0,0,0,0|2,0,0]=4 2036 B11R0.366 CC(C)CC(=O)C(C)(CO)CO 1458a_100000693232_100000210624 [0,2,0,0,0,0|2,0,0]=4 2037 B11R0.366 CC(C)NC(=O)C(C)(CO)CO 240690a_100138425928_100000693232 [0,2,0,0,0,0|2,0,0]=4 2038 B11R0.366 CC(O)CC(=O)C(C)(CO)CO 1458a_100000693232_100011218427 [0,2,0,0,0,0|2,0,0]=4 2039 B11R0.366 CCC(C)(CC)C(=O)CC(C)C 1458a_100000210554_100009817345 [0,2,0,0,0,0|2,0,0]=4 2040 B11R0.366 CCC(C)(CC)C(=O)CC(C)C 1458a_100000760562_100000210624 [0,2,0,0,0,0|2,0,0]=4 2041 B11R0.366 CCC(C)(CC)C(=O)CC(C)O 1458a_100000760562_100011218427 [0,2,0,0,0,0|2,0,0]=4 2042 B11R0.366 CCC(C)(CC)C(=O)C[C@@H](C)O 1458a_100011933948_100009817345 [0,2,0,0,0,0|2,0,0]=4 2043 B11R0.366 CCC(C)(CC)C(=O)NC(C)C 11a_100138425928_100000760562 [0,2,0,0,0,0|2,0,0]=4 2044 B11R0.366 CCC(C)(CC)C(=O)NC(C)C 1626a_100138425928_100000760562 [0,2,0,0,0,0|2,0,0]=4 2045 B11R0.366 CCC(C)(CC)C(=O)NC(C)C 240690a_100138425928_100000760562 [0,2,0,0,0,0|2,0,0]=4 2046 B11R0.366 CCC(C)(CC)C(=O)NC(C)C 527a_100138425928_100000760562 [0,2,0,0,0,0|2,0,0]=4 2047 B11R0.240 CC(C)CC(C)(O)C(=O)CCF 1458a_100011434877_100011217306 [0,2,0,0,0,0|2,0,0]=4 2048 B11R0.240 CC(C)CC(C)(O)C(=O)CCO 1458a_100011434877_100000211926 [0,2,0,0,0,0|2,0,0]=4 2049 B11R0.240 CCCC(=O)C(C)(O)CC(C)C 1458a_100011434877_100000210303 [0,2,0,0,0,0|1,0,0]=3 2050 B11R0.240 CCNC(=O)C(C)(C)CN(C)C 269982a_100102631434_100011895991 [0,2,0,0,0,0|2,0,0]=4 2051 B11R0.240 CCNC(=O)C(C)(O)CC(C)C 240690a_100015525214_100011434877 [0,2,0,0,0,0|1,0,0]=3 2052 B11R0.240 CCOC(=O)C(C)(C)CN(C)C 2230a_100102631434_100011219049 [0,2,0,0,0,0|1,0,0]=3 2053 B11R0.240 CCOC(=O)C(C)(C)NC(=O)C 188690a_100000750574_100015343762 [0,2,0,0,0,0|1,0,1]=4 2054 B11R0.240 CCOC(=O)C(C)(C)NC(C)C 2230a_100138425928_100011216345 [0,2,0,0,0,0|1,0,0]=3 2055 B11R0.240 CCOC(=O)C(C)(C)OC(C)C 34a_100000686869_100000210206 [0,2,0,0,0,0|1,0,0]=3 2056 B11R0.240 CCOC(=O)C(C)(C)OC(C)C 7a_100000686869_100000210206 [0,2,0,0,0,0|1,0,0]=3 2057 B11R0.240 CCOC(=O)C(C)(C)SC(C)C 62a_100000210206_100011216345 [0,2,0,0,0,0|1,0,0]=3 2058 B11R0.240 CCOC(=O)C(C)(C)SC(C)C 62a_100011216345_100000210206 [0,2,0,0,0,0|1,0,0]=3 2059 B11R0.240 CCOC(=O)C(F)(F)NC(C)C 34a_100138425928_100000210910 [0,2,0,0,0,0|2,0,0]=4 2060 B11R0.240 CCOC(=O)C(F)(F)OC(C)C 34a_100000212225_100000210910 [0,2,0,0,0,0|2,0,0]=4 2061 B11R0.240 CCOC(=O)C(F)(F)SC(C)C 62a_100000210206_100000210910 [0,2,0,0,0,0|2,0,0]=4 2062 B11R0.240 CCOC(=O)C(F)(F)SC(C)C 62a_100000210910_100000210206 [0,2,0,0,0,0|2,0,0]=4 2063 B11R0.240 CNNC(=O)C(C)(O)CC(C)C 22a_100016993582_100011434877 [0,2,0,0,0,0|2,0,0]=4 2064 B11R0.241 CCCC(=O)C(C)(CC)CCC 1458a_100000211992_200000040151 [0,2,0,0,0,0|2,0,0]=4 2065 B11R0.241 CCCC(=O)C(C)(CC)CCC 1458a_200000724995_100000210303 [0,2,0,0,0,0|2,0,0]=4 2066 B11R0.241 CCCC(C)(CC)C(=O)NCC 11a_100015525214_200000724995 [0,2,0,0,0,0|2,0,0]=4 2067 B11R0.241 CCCC(C)(CC)C(=O)NCC 240690a_100015525214_200000724995 [0,2,0,0,0,0|2,0,0]=4 2068 B11R0.241 CCCC(C)(CC)C(=O)NCC 527a_100015525214_200000724995 [0,2,0,0,0,0|2,0,0]=4 2069 B11R0.247 C#CCOC(C)(C)C(=O)OCC 34a_100000686869_100000184674 [0,2,0,0,0,0|1,0,1]=4 2070 B11R0.247 C#CCOC(C)(C)C(=O)OCC 7a_100000686869_100000038162 [0,2,0,0,0,0|1,0,1]=4 2071 B11R0.247 C#CCSC(C)(C)C(=O)OCC 62a_100000038162_100011216345 [0,2,0,0,0,0|1,0,1]=4 2072 B11R0.247 C=CCNC(C)(C)C(=O)OCC 2230a_100020586998_100011216345 [0,2,0,0,0,0|1,0,1]=4 2073 B11R0.247 C=CCOC(C)(C)C(=O)OCC 34a_100000686869_100015514636 [0,2,0,0,0,0|1,0,1]=4 2074 B11R0.247 C=CCOC(C)(C)C(=O)OCC 7a_100000686869_100015514636 [0,2,0,0,0,0|1,0,1]=4 2075 B11R0.247 C=CCSC(C)(C)C(=O)OCC 62a_100000210623_100011216345 [0,2,0,0,0,0|1,0,1]=4 2076 B11R0.247 C=CCSC(C)(C)C(=O)OCC 62a_100011216345_100000210623 [0,2,0,0,0,0|1,0,1]=4 2077 B11R0.247 CCCCC(C)(C)C(=O)CCC 1458a_100011216040_100000210303 [0,2,0,0,0,0|2,0,0]=4 2078 B11R0.247 CCCCC(C)(C)C(=O)NCC 11a_100015525214_100011216040 [0,2,0,0,0,0|2,0,0]=4 2079 B11R0.247 CCCCC(C)(C)C(=O)NCC 240690a_100015525214_100011216040 [0,2,0,0,0,0|2,0,0]=4 2080 B11R0.247 CCCCC(C)(C)C(=O)NCC 527a_100015525214_100011216040 [0,2,0,0,0,0|2,0,0]=4 2081 B11R0.247 CCCCC(C)(O)C(=O)CCC 1458a_100000137666_100000210303 [0,2,0,0,0,0|1,0,0]=3 2082 B11R0.247 CCCCC(C)(O)C(=O)CCF 1458a_100000137666_100011217306 [0,2,0,0,0,0|2,0,0]=4 2083 B11R0.247 CCCCC(C)(O)C(=O)CCO 1458a_100000137666_100000211926 [0,2,0,0,0,0|2,0,0]=4 2084 B11R0.247 CCCCC(C)(O)C(=O)NCC 240690a_100015525214_100000137666 [0,2,0,0,0,0|1,0,0]=3 2085 B11R0.247 CCCCC(C)(O)C(=O)NNC 22a_100016993582_100000137666 [0,2,0,0,0,0|2,0,0]=4 2086 B11R0.247 CCCOC(C)(C)C(=O)OCC 34a_100000686869_100000210303 [0,2,0,0,0,0|1,0,0]=3 2087 B11R0.247 CCCOC(C)(C)C(=O)OCC 7a_100000686869_100000210303 [0,2,0,0,0,0|1,0,0]=3 2088 B11R0.247 CCCOC(F)(F)C(=O)OCC 34a_100000210258_100000210910 [0,2,0,0,0,0|2,0,0]=4 2089 B11R0.247 CCCSC(C)(C)C(=O)OCC 62a_100000210303_100011216345 [0,2,0,0,0,0|1,0,0]=3 2090 B11R0.247 CCCSC(C)(C)C(=O)OCC 62a_100011216345_100000210303 [0,2,0,0,0,0|1,0,0]=3 2091 B11R0.247 CCCSC(F)(F)C(=O)OCC 62a_100000210303_100000210910 [0,2,0,0,0,0|2,0,0]=4 2092 B11R0.247 CCCSC(F)(F)C(=O)OCC 62a_100000210910_100000210303 [0,2,0,0,0,0|2,0,0]=4 2093 B11R0.247 CCNC(=O)C(C)(C)CSCC 62a_100000210202_100011895991 [0,2,0,0,0,0|2,0,0]=4 2094 B11R0.247 CCNC(=O)C(C)(C)CSCC 62a_100011895991_100000210202 [0,2,0,0,0,0|2,0,0]=4 2095 B11R0.247 CCNC(=O)C(C)(C)CSCF 62a_100011895991_100015361967 [0,2,0,0,0,0|2,0,0]=4 2096 B11R0.247 CCNC(=O)C(C)(C)CSCF 62a_100015361967_100011895991 [0,2,0,0,0,0|2,0,0]=4 2097 B11R0.247 CCNCC(C)(C)C(=O)OCC 2230a_100015525214_100011219049 [0,2,0,0,0,0|1,0,0]=3 2098 B11R0.247 CCOC(=O)C(C)(C)COCF 7a_100011765865_100015361967 [0,2,0,0,0,0|1,0,0]=3 2099 B11R0.247 CCOC(=O)C(C)(C)CSCC 62a_100000210202_100011219049 [0,2,0,0,0,0|1,0,0]=3 2100 B11R0.247 CCOC(=O)C(C)(C)CSCC 62a_100011219049_100000210202 [0,2,0,0,0,0|1,0,0]=3 2101 B11R0.247 CCOC(=O)C(C)(C)CSCF 62a_100011219049_100015361967 [0,2,0,0,0,0|1,0,0]=3 2102 B11R0.247 CCOC(=O)C(C)(C)CSCF 62a_100015361967_100011219049 [0,2,0,0,0,0|1,0,0]=3 2103 B11R0.247 CCOC(=O)C(C)(C)NCCO 2230a_100016997473_100011216345 [0,2,0,0,0,0|1,0,0]=3 2104 B11R0.247 CCOC(=O)C(C)(C)OCC#N 7a_100000686869_100011215382 [0,2,0,0,0,0|1,0,1]=4 2105 B11R0.247 CCOC(=O)C(C)(C)OCC=O 34a_100000686869_200009817547 [0,2,0,0,0,0|1,0,1]=4 2106 B11R0.247 CCOC(=O)C(C)(C)OCC=O 7a_100000686869_200015260668 [0,2,0,0,0,0|1,0,1]=4 2107 B11R0.247 CCOC(=O)C(C)(C)OCCF 34a_100000686869_100011217306 [0,2,0,0,0,0|1,0,0]=3 2108 B11R0.247 CCOC(=O)C(C)(C)OCCF 7a_100000686869_100011217306 [0,2,0,0,0,0|1,0,0]=3 2109 B11R0.247 CCOC(=O)C(C)(C)OCCO 34a_100000686869_100000211926 [0,2,0,0,0,0|1,0,0]=3 2110 B11R0.247 CCOC(=O)C(C)(C)OCCO 7a_100000686869_100000211926 [0,2,0,0,0,0|1,0,0]=3 2111 B11R0.247 CCOC(=O)C(C)(C)OCSC 34a_100000686869_100011218213 [0,2,0,0,0,0|1,0,0]=3 2112 B11R0.247 CCOC(=O)C(C)(C)SCC#N 62a_100011215382_100011216345 [0,2,0,0,0,0|1,0,1]=4 2113 B11R0.247 CCOC(=O)C(C)(C)SCC#N 62a_100011216345_100011215382 [0,2,0,0,0,0|1,0,1]=4 2114 B11R0.247 CCOC(=O)C(C)(C)SCC=O 62a_100011216345_200015260668 [0,2,0,0,0,0|1,0,1]=4 2115 B11R0.247 CCOC(=O)C(C)(C)SCC=O 62a_200015260668_100011216345 [0,2,0,0,0,0|1,0,1]=4 2116 B11R0.247 CCOC(=O)C(C)(C)SCCF 62a_100011216345_100011217306 [0,2,0,0,0,0|1,0,0]=3 2117 B11R0.247 CCOC(=O)C(C)(C)SCCF 62a_100011217306_100011216345 [0,2,0,0,0,0|1,0,0]=3 2118 B11R0.247 CCOC(=O)C(C)(C)SCCO 62a_100000211926_100011216345 [0,2,0,0,0,0|1,0,0]=3 2119 B11R0.247 CCOC(=O)C(C)(C)SCCO 62a_100011216345_100000211926 [0,2,0,0,0,0|1,0,0]=3 2120 B11R0.247 CCOC(=O)C(C)(C)SCOC 62a_100000766300_100011216345 [0,2,0,0,0,0|1,0,0]=3 2121 B11R0.247 CCOC(=O)C(C)(C)SCOC 62a_100011216345_100000766300 [0,2,0,0,0,0|1,0,0]=3 2122 B11R0.247 CCOC(=O)C(C)(C)SCSC 62a_100011216345_100011218213 [0,2,0,0,0,0|1,0,0]=3 2123 B11R0.247 CCOC(=O)C(C)(C)SCSC 62a_100011218213_100011216345 [0,2,0,0,0,0|1,0,0]=3 2124 B11R0.247 CCOC(=O)C(F)(F)CSCC 62a_100000210202_100009817193 [0,2,0,0,0,0|2,0,0]=4 2125 B11R0.247 CCOC(=O)C(F)(F)CSCC 62a_100009817193_100000210202 [0,2,0,0,0,0|2,0,0]=4 2126 B11R0.247 CCOC(=O)C(F)(F)CSCF 62a_100009817193_100015361967 [0,2,0,0,0,0|2,0,0]=4 2127 B11R0.247 CCOC(=O)C(F)(F)CSCF 62a_100015361967_100009817193 [0,2,0,0,0,0|2,0,0]=4 2128 B11R0.247 CCOC(=O)C(F)(F)NCCF 34a_100000724931_100000210910 [0,2,0,0,0,0|2,0,0]=4 2129 B11R0.247 CCOC(=O)C(F)(F)NCCO 34a_100016990907_100000210910 [0,2,0,0,0,0|2,0,0]=4 2130 B11R0.247 CCOC(=O)C(F)(F)OCCBr 34a_100000211926_100000210910 [0,2,0,0,0,0|2,0,0]=4 2131 B11R0.247 CCOC(=O)C(F)(F)OCCN 34a_100000210304_100000210910 [0,2,0,0,0,0|2,0,0]=4 2132 B11R0.247 CCOC(=O)C(F)(F)SCCF 62a_100000210910_100011217306 [0,2,0,0,0,0|2,0,0]=4 2133 B11R0.247 CCOC(=O)C(F)(F)SCCF 62a_100011217306_100000210910 [0,2,0,0,0,0|2,0,0]=4 2134 B11R0.247 CCOC(=O)C(F)(F)SCCO 62a_100000210910_100000211926 [0,2,0,0,0,0|2,0,0]=4 2135 B11R0.247 CCOC(=O)C(F)(F)SCCO 62a_100000211926_100000210910 [0,2,0,0,0,0|2,0,0]=4 2136 B11R0.247 CCOC(=O)C(F)(F)SCOC 62a_100000210910_100000766300 [0,2,0,0,0,0|2,0,0]=4 2137 B11R0.247 CCOC(=O)C(F)(F)SCOC 62a_100000766300_100000210910 [0,2,0,0,0,0|2,0,0]=4 2138 B11R0.247 CCOC(=O)C(F)(F)SCSC 62a_100000210910_100011218213 [0,2,0,0,0,0|2,0,0]=4 2139 B11R0.247 CCOC(=O)C(F)(F)SCSC 62a_100011218213_100000210910 [0,2,0,0,0,0|2,0,0]=4 2140 B11R0.247 CCOCC(C)(C)C(=O)OCC 7a_100011765865_100000210202 [0,2,0,0,0,0|1,0,0]=3 2141 B11R0.247 CCOCC(F)(F)C(=O)OCC 34a_100121572206_100009817193 [0,2,0,0,0,0|2,0,0]=4 2142 B11R0.252 CCC(CO)(CO)C(=O)CCF 1458a_100000039496_100011217306 [0,2,0,0,0,0|2,0,0]=4 2143 B11R0.252 CCC(CO)(CO)C(=O)CCO 1458a_100000039496_100000211926 [0,2,0,0,0,0|2,0,0]=4 2144 B11R0.252 CCC(CO)(CO)C(=O)NNC 22a_100016993582_100000039496 [0,2,0,0,0,0|2,0,0]=4 2145 B11R0.252 CCCC(=O)C(C#N)(CC)CC 1458a_100011499467_100000210303 [0,2,0,0,0,0|2,0,0]=4 2146 B11R0.252 CCCC(=O)C(CC)(CC)CC 1458a_100000211992_200010884430 [0,2,0,0,0,0|2,0,0]=4 2147 B11R0.252 CCCC(=O)C(CC)(CO)CO 1458a_100000039496_100000210303 [0,2,0,0,0,0|1,0,0]=3 2148 B11R0.252 CCNC(=O)C(C#N)(CC)CC 11a_100015525214_100011499467 [0,2,0,0,0,0|2,0,0]=4 2149 B11R0.252 CCNC(=O)C(C#N)(CC)CC 240690a_100015525214_100011499467 [0,2,0,0,0,0|2,0,0]=4 2150 B11R0.252 CCNC(=O)C(C#N)(CC)CC 527a_100015525214_100011499467 [0,2,0,0,0,0|2,0,0]=4 2151 B11R0.252 CCNC(=O)C(CC)(CO)CO 240690a_100015525214_100000039496 [0,2,0,0,0,0|1,0,0]=3 2152 B11R0.252 CCOC(=O)C(CC)(CC)NC 2230a_106832991635_200009990444 [0,2,0,0,0,0|1,0,0]=3 2153 B11R0.252 CCOC(=O)C(CC)(CC)NC 34a_100102657272_200009990444 [0,2,0,0,0,0|1,0,0]=3 2154 B11R0.252 CCOC(=O)C(CC)(CC)NC 7a_106832991635_200009990444 [0,2,0,0,0,0|1,0,0]=3 2155 B11R0.252 CCOC(=O)C(CC)(CC)OC 34a_100138415774_200009990444 [0,2,0,0,0,0|0,0,0]=2 2156 B11R0.252 CCOC(=O)C(CC)(CC)SC 62a_200000210301_200009990444 [0,2,0,0,0,0|0,1,0]=3 2157 B11R0.252 CCOC(=O)C(CC)(CC)SC 62a_200009990444_200000210301 [0,2,0,0,0,0|0,1,0]=3 2158 B11R0.252 CCOC(=O)C(CC)(CC)S[13CH3] 62a_200009990444_200025704644 [0,2,0,0,0,0|0,1,0]=3 2159 B11R0.252 CCOC(=O)C(CC)(CC)S[13CH3] 62a_200025704644_200009990444 [0,2,0,0,0,0|0,1,0]=3 2160 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 2161 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 2162 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 2163 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 2164 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 2165 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 2166 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,0,0,1,0,0|2,0,0]=4 2167 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,0,0,1,0,0|2,0,0]=4 2168 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [1,0,0,1,0,0|2,0,0]=4 2169 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [1,0,0,1,0,0|2,0,0]=4 2170 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [1,0,0,1,0,0|2,0,0]=4 2171 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [1,0,0,1,0,0|2,0,0]=4 2172 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [1,0,0,1,0,0|2,0,0]=4 2173 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,0,0,1,0,0|2,0,0]=4 2174 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,0,0,1,0,0|2,0,0]=4 2175 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [1,0,0,1,0,0|2,0,0]=4 2176 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [1,0,0,1,0,0|2,0,0]=4 2177 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,0,0,1,0,0|2,0,0]=4 2178 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,0,0,1,0,0|2,0,0]=4 2179 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [1,0,0,1,0,0|2,0,0]=4 2180 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [1,0,0,1,0,0|2,0,0]=4 2181 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [1,0,0,1,0,0|2,0,0]=4 2182 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [1,0,0,1,0,0|2,0,0]=4 2183 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,0,0,1,0,0|2,0,0]=4 2184 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [1,0,0,1,0,0|2,0,0]=4 2185 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,0,0,1,0,0|2,0,0]=4 2186 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,0,0,1,0,0|2,0,0]=4 2187 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [1,0,0,1,0,0|2,0,0]=4 2188 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [1,0,0,1,0,0|2,0,0]=4 2189 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [1,0,0,1,0,0|1,0,0]=3 2190 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [1,0,0,1,0,0|1,0,0]=3 2191 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [1,0,0,1,0,0|1,0,0]=3 2192 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [1,0,0,1,0,0|1,0,0]=3 2193 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [1,0,0,1,0,0|1,0,0]=3 2194 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [1,0,0,1,0,0|1,0,0]=3 2195 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [1,0,0,1,0,0|1,0,0]=3 2196 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [1,0,0,1,0,0|1,0,0]=3 2197 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [1,0,0,1,0,0|1,0,1]=4 2198 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [1,0,0,1,0,0|1,0,1]=4 2199 B9R1.73 CC#CC(=O)C1CCC1 1458a_100000763181_100000749161 [1,0,0,1,0,0|1,0,1]=4 2200 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [1,0,0,1,0,0|1,0,1]=4 2201 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [1,0,0,1,0,0|1,0,0]=3 2202 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [1,0,0,1,0,0|1,0,0]=3 2203 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [1,0,0,1,0,0|1,0,0]=3 2204 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [1,0,0,1,0,0|2,0,0]=4 2205 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [1,0,0,1,0,0|2,0,0]=4 2206 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 2207 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 2208 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 2209 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 2210 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 2211 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 2212 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [1,0,0,1,0,0|1,0,0]=3 2213 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [1,0,0,1,0,0|1,0,0]=3 2214 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [1,0,0,1,0,0|1,0,0]=3 2215 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 2216 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 2217 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 2218 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [1,0,0,1,0,0|2,0,0]=4 2219 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [1,0,0,1,0,0|2,0,0]=4 2220 B9R1.73 CCOC(C)C1CCC1 34a_100000766398_100000210202 [1,0,0,1,0,0|1,0,1]=4 2221 B9R1.73 CCOC(C)C1CCC1 7a_100000766398_100000210202 [1,0,0,1,0,0|1,0,1]=4 2222 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [1,0,0,1,0,0|2,0,0]=4 2223 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [1,0,0,1,0,0|2,0,0]=4 2224 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [1,0,0,1,0,0|2,0,0]=4 2225 B9R1.73 CNNC(=O)C1CCC1 22a_100016993582_100000209988 [1,0,0,1,0,0|2,0,0]=4 2226 B9R1.73 CNNC(=O)C1CCO1 22a_100016993582_100000089072 [1,0,0,1,0,0|2,0,0]=4 2227 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [1,0,0,1,0,0|2,0,0]=4 2228 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [1,0,0,1,0,0|2,0,0]=4 2229 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [1,0,0,1,0,0|2,0,0]=4 2230 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [1,0,0,1,0,0|2,0,0]=4 2231 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [1,0,0,1,0,0|2,0,0]=4 2232 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [1,0,0,1,0,0|2,0,0]=4 2233 B9R1.73 O=C(CCF)C1CCO1 1458a_100000089072_100011217306 [1,0,0,1,0,0|2,0,0]=4 2234 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [1,0,0,1,0,0|2,0,0]=4 2235 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [1,0,0,1,0,0|2,0,0]=4 2236 B9R1.73 O=C(CCO)C1CCO1 1458a_100000089072_100000211926 [1,0,0,1,0,0|2,0,0]=4 2237 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [1,0,0,1,0,0|2,0,0]=4 2238 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [1,0,0,1,0,0|2,0,0]=4 2239 B9R1.74 CC1(CC1)C(=O)CCF 1458a_100000756474_100011217306 [1,0,0,1,0,0|2,0,0]=4 2240 B9R1.74 CC1(CC1)C(=O)CCO 1458a_100000756474_100000211926 [1,0,0,1,0,0|2,0,0]=4 2241 B9R1.74 CCCC(=O)C1(CC1)C 1458a_100000756474_100000210303 [1,0,0,1,0,0|1,0,0]=3 2242 B9R1.74 CCCC(=O)C1(CC1)F 1458a_100000055089_100000210303 [1,0,0,1,0,0|2,0,0]=4 2243 B9R1.74 CCCC(=O)C1(CC1)O 1458a_100000241761_100000210303 [1,0,0,1,0,0|1,0,0]=3 2244 B9R1.74 CCNC(=O)C1(CC1)C 11a_100015525214_100000756474 [1,0,0,1,0,0|1,0,0]=3 2245 B9R1.74 CCNC(=O)C1(CC1)C 240690a_100015525214_100000756474 [1,0,0,1,0,0|1,0,0]=3 2246 B9R1.74 CCNC(=O)C1(CC1)C 527a_100015525214_100000756474 [1,0,0,1,0,0|1,0,0]=3 2247 B9R1.74 CCNC(=O)C1(CC1)F 11a_100015525214_100000055089 [1,0,0,1,0,0|2,0,0]=4 2248 B9R1.74 CCNC(=O)C1(CC1)F 240690a_100015525214_100000055089 [1,0,0,1,0,0|2,0,0]=4 2249 B9R1.74 CCNC(=O)C1(CC1)F 527a_100015525214_100000055089 [1,0,0,1,0,0|2,0,0]=4 2250 B9R1.74 CCNC(=O)C1(CC1)O 240690a_100015525214_100000241761 [1,0,0,1,0,0|1,0,0]=3 2251 B9R1.74 CNNC(=O)C1(CC1)C 22a_100016993582_100000756474 [1,0,0,1,0,0|2,0,0]=4 2252 B9R1.74 CNNC(=O)C1(CC1)O 22a_100016993582_100000241761 [1,0,0,1,0,0|2,0,0]=4 2253 B9R1.74 O=C(CCF)C1(CC1)O 1458a_100000241761_100011217306 [1,0,0,1,0,0|2,0,0]=4 2254 B9R1.74 O=C(CCO)C1(CC1)O 1458a_100000241761_100000211926 [1,0,0,1,0,0|2,0,0]=4 2255 B9R1.101 CCC(C)C(=O)C1CC1 1458a_100000210395_100000758301 [1,0,0,1,0,0|1,0,0]=3 2256 B9R1.101 CCC(C)C(=O)C1CO1 1458a_100000701028_100000758301 [1,0,0,1,0,0|2,0,0]=4 2257 B9R1.101 CCN(C)C(=O)C1CC1 11a_100000225621_100000210395 [1,0,0,1,0,0|2,0,0]=4 2258 B9R1.101 CCN(C)C(=O)C1CC1 1626a_100000225621_100000210395 [1,0,0,1,0,0|2,0,0]=4 2259 B9R1.101 CCN(C)C(=O)C1CC1 240690a_100000225621_100000210395 [1,0,0,1,0,0|2,0,0]=4 2260 B9R1.101 CCN(C)C(=O)C1CC1 527a_100000225621_100000210395 [1,0,0,1,0,0|2,0,0]=4 2261 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [1,0,0,1,0,0|2,0,0]=4 2262 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [1,0,0,1,0,0|2,0,0]=4 2263 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [1,0,0,1,0,0|1,0,0]=3 2264 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [1,0,0,1,0,0|2,0,0]=4 2265 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [1,0,0,1,0,0|1,0,0]=3 2266 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [1,0,0,1,0,0|1,0,0]=3 2267 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 2268 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 2269 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 2270 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [1,0,0,1,0,0|2,0,0]=4 2271 B9R1.190 CCC(=O)C1(CC1)CO 1458a_100012027107_100000210202 [1,0,0,1,0,0|2,0,0]=4 2272 B9R1.190 CCC(=O)C1(CC1)OC 1458a_100000137688_100000210202 [1,0,0,1,0,0|2,0,0]=4 2273 B9R1.190 CNC1(CC1)C(=O)OC 34a_100102657272_100000698272 [1,0,0,1,0,0|2,0,0]=4 2274 B9R1.190 CNC1(CC1)C(=O)OC 7a_106832991635_100000698272 [1,0,0,1,0,0|2,0,0]=4 2275 B9R1.190 COC(=O)C1(CC1)OC 34a_100000719341_200000210301 [1,0,0,1,0,0|2,0,0]=4 2276 B9R1.190 COC(=O)C1(CC1)OC 34a_100138415774_100000698272 [1,0,0,1,0,0|2,0,0]=4 2277 B9R1.190 COC(=O)C1(CC1)OC 7a_100000719341_200000210301 [1,0,0,1,0,0|2,0,0]=4 2278 B9R1.190 COC(=O)C1(CC1)O[13CH3] 34a_100000719341_200025704644 [1,0,0,1,0,0|2,0,0]=4 2279 B9R1.190 COC(=O)C1(CC1)O[13CH3] 7a_100000719341_200025704644 [1,0,0,1,0,0|2,0,0]=4 2280 B9R1.190 COC(=O)C1(CC1)SC 62a_100000698272_200000210301 [1,0,0,1,0,0|2,0,0]=4 2281 B9R1.190 COC(=O)C1(CC1)SC 62a_200000210301_100000698272 [1,0,0,1,0,0|2,0,0]=4 2282 B9R1.190 COC(=O)C1(CC1)S[13CH3] 62a_100000698272_200025704644 [1,0,0,1,0,0|2,0,0]=4 2283 B9R1.190 COC(=O)C1(CC1)S[13CH3] 62a_200025704644_100000698272 [1,0,0,1,0,0|2,0,0]=4 2284 B9R1.117 CCNCC1(CCC1)O 2230a_100000752638_100000210202 [1,0,0,1,0,0|1,0,1]=4 2285 B9R1.117 CCOCC1(CCC1)C 34a_100121572206_100000726658 [1,0,0,1,0,0|1,0,1]=4 2286 B9R1.133 CCN1CCC(C1)(C)O 2230a_100000718628_100000210202 [1,0,0,1,0,0|1,0,1]=4 2287 B9R1.133 CCN1CCC(C1)(C)O 269982a_100000718628_100000204670 [1,0,0,1,0,0|1,0,1]=4 2288 B9R1.193 CCOCC1(CO1)CC 34a_100121572206_200000139556 [1,0,0,1,0,0|0,0,1]=3 2289 B9R1.193 CCSCC1(CO1)CC 62a_100000210202_200000139556 [1,0,0,1,0,0|0,1,1]=4 2290 B9R1.193 CCSCC1(CO1)CC 62a_200000139556_100000210202 [1,0,0,1,0,0|0,1,1]=4 2291 B9R1.207 CCN1CC(C1)(O)CC 2230a_100015191684_100000210202 [1,0,0,1,0,0|1,0,1]=4 2292 B9R1.207 CCN1CC(C1)(O)CC 269982a_100015191684_100000204670 [1,0,0,1,0,0|1,0,1]=4 2293 B11R1.626 CCC(C)(C)NC(=O)C1CC1 11a_100000211385_100000210395 [0,0,0,1,0,1|2,0,0]=4 2294 B11R1.626 CCC(C)(C)NC(=O)C1CC1 1626a_100000211385_100000210395 [0,0,0,1,0,1|2,0,0]=4 2295 B11R1.626 CCC(C)(C)NC(=O)C1CC1 240690a_100000211385_100000210395 [0,0,0,1,0,1|2,0,0]=4 2296 B11R1.626 CCC(C)(C)NC(=O)C1CC1 527a_100000211385_100000210395 [0,0,0,1,0,1|2,0,0]=4 2297 B11R1.840 CCCC(=O)CC1(CCC1)C 1458a_100000211992_100000726658 [0,0,0,1,0,1|2,0,0]=4 2298 B11R1.840 CCCC(=O)NC1(CCC1)C 11a_100000692455_100000211992 [0,0,0,1,0,1|2,0,0]=4 2299 B11R1.840 CCCC(=O)NC1(CCC1)C 1626a_100000692455_100000211992 [0,0,0,1,0,1|2,0,0]=4 2300 B11R1.840 CCCC(=O)NC1(CCC1)C 240690a_100000692455_100000211992 [0,0,0,1,0,1|2,0,0]=4 2301 B11R1.840 CCCC(=O)NC1(CCC1)C 527a_100000692455_100000211992 [0,0,0,1,0,1|2,0,0]=4 2302 B11R1.840 CCNC(=O)NC1(CCC1)C 2708a_100015525214_100000692455 [0,0,0,1,0,1|2,0,0]=4 2303 B11R1.840 CCNC(=O)NC1(CCC1)C 273464a_100000692455_100015525214 [0,0,0,1,0,1|2,0,0]=4 2304 B11R1.840 CCNC(=O)NC1(CCC1)C 273464a_100015525214_100000692455 [0,0,0,1,0,1|2,0,0]=4 2305 B11R1.840 CCNC(=O)NC1(CCC1)C 512a_100000692455_100015525214 [0,0,0,1,0,1|2,0,0]=4 2306 B11R1.840 CCNC(=O)NC1(CCC1)C 512a_100015525214_100000692455 [0,0,0,1,0,1|2,0,0]=4 2307 B11R1.1004 CC#CC(=O)CC1(CO1)CC 1458a_100000763181_200000139556 [0,0,0,1,0,1|1,0,1]=4 2308 B11R1.1004 CC=CC(=O)CC1(CO1)CC 1458a_100000210699_200000139556 [0,0,0,1,0,1|1,0,1]=4 2309 B11R1.1004 CCC1(CO1)CC(=O)CCO 1458a_100011216618_200000139556 [0,0,0,1,0,1|2,0,0]=4 2310 B11R1.1004 CCC1(CO1)CC(=O)COC 1458a_100000210968_200000139556 [0,0,0,1,0,1|2,0,0]=4 2311 B11R1.1004 CCC1(CO1)CC(=O)CSC 1458a_100000184570_200000139556 [0,0,0,1,0,1|2,0,0]=4 2312 B11R1.1004 CCCC(=O)CC1(CO1)CC 1458a_100000211992_200000139556 [0,0,0,1,0,1|1,0,0]=3 2313 B11R1.1004 CCCC(=O)NC1(CC1)CC 11a_100000732774_100000211992 [0,0,0,1,0,1|2,0,0]=4 2314 B11R1.1004 CCCC(=O)NC1(CC1)CC 1626a_100000732774_100000211992 [0,0,0,1,0,1|2,0,0]=4 2315 B11R1.1004 CCCC(=O)NC1(CC1)CC 240690a_100000732774_100000211992 [0,0,0,1,0,1|2,0,0]=4 2316 B11R1.1004 CCCC(=O)NC1(CC1)CC 527a_100000732774_100000211992 [0,0,0,1,0,1|2,0,0]=4 2317 B11R1.1004 CCNC(=O)NC1(CC1)CC 2708a_100015525214_100000732774 [0,0,0,1,0,1|2,0,0]=4 2318 B11R1.1004 CCNC(=O)NC1(CC1)CC 273464a_100000732774_100015525214 [0,0,0,1,0,1|2,0,0]=4 2319 B11R1.1004 CCNC(=O)NC1(CC1)CC 273464a_100015525214_100000732774 [0,0,0,1,0,1|2,0,0]=4 2320 B11R1.1004 CCNC(=O)NC1(CC1)CC 512a_100000732774_100015525214 [0,0,0,1,0,1|2,0,0]=4 2321 B11R1.835 CCOC(=O)C1(CC1)C(=O)C 1458a_100000055151_200000210301 [0,1,0,1,0,0|1,0,1]=4 2322 B11R1.835 CCOC(=O)C1(CC1)C(=O)C 1458a_100000070787_100009861064 [0,1,0,1,0,0|1,0,1]=4 2323 B11R1.835 CCOC(=O)C1(CC1)C(=O)[13CH3] 1458a_100000055151_200025704644 [0,1,0,1,0,0|1,0,1]=4 2324 B11R1.629 CCC(C)(C)C(=O)C1CCC1 1458a_100000749717_100000749161 [0,1,0,1,0,0|2,0,0]=4 2325 B11R1.629 CCC(C)(C)C(=O)C1COC1 1458a_100000749717_100000687716 [0,1,0,1,0,0|2,0,0]=4 2326 B11R1.629 CCC(C)(C)C(=O)N1CCC1 11a_100000754969_100000749717 [0,1,0,1,0,0|2,0,0]=4 2327 B11R1.629 CCC(C)(C)C(=O)N1CCC1 240690a_100000754969_100000749717 [0,1,0,1,0,0|2,0,0]=4 2328 B11R1.629 CCC(C)(C)C(=O)N1CCC1 527a_100000754969_100000749717 [0,1,0,1,0,0|2,0,0]=4 2329 B11R1.629 CCC(C)(O)C(=O)C1CCC1 1458a_100011219770_100000749161 [0,1,0,1,0,0|1,0,0]=3 2330 B11R1.629 CCC(C)(O)C(=O)C1COC1 1458a_100011219770_100000687716 [0,1,0,1,0,0|1,0,0]=3 2331 B11R1.629 CCC(C)(O)C(=O)N1CCC1 240690a_100000754969_100011219770 [0,1,0,1,0,0|1,0,0]=3 2332 B11R1.1007 CCC(C)C(=O)C1(CCC1)C 1458a_100000684636_100000758301 [0,1,0,1,0,0|2,0,0]=4 2333 B11R1.1007 CCC(C)C(=O)C1(CCC1)O 1458a_100000242746_100000758301 [0,1,0,1,0,0|1,0,0]=3 2334 B11R1.1007 CCC(C)C(=O)C1(COC1)O 1458a_100010273515_100000758301 [0,1,0,1,0,0|2,0,0]=4 2335 B11R1.1007 CCN(C)C(=O)C1(CCC1)C 11a_100000225621_100000684636 [0,1,0,1,0,0|2,0,0]=4 2336 B11R1.1007 CCN(C)C(=O)C1(CCC1)C 1626a_100000225621_100000684636 [0,1,0,1,0,0|2,0,0]=4 2337 B11R1.1007 CCN(C)C(=O)C1(CCC1)C 240690a_100000225621_100000684636 [0,1,0,1,0,0|2,0,0]=4 2338 B11R1.1007 CCN(C)C(=O)C1(CCC1)C 527a_100000225621_100000684636 [0,1,0,1,0,0|2,0,0]=4 2339 B11R1.1007 CCN(C)C(=O)C1(CCC1)O 240690a_100000225621_100000242746 [0,1,0,1,0,0|1,0,0]=3 2340 B11R1.1007 CCN(C)C(=O)C1(COC1)O 240690a_100000225621_100010273515 [0,1,0,1,0,0|2,0,0]=4 2341 B11R1.6 CCC(C)(O)c1nc(no1)C 270196a_100000212224_100011219770 [0,1,0,1,0,0|1,0,1]=4 2342 B11R1.631 CCC(C)(C)C(=O)CC1CC1 1458a_100000749717_100000742324 [0,1,0,1,0,0|2,0,0]=4 2343 B11R1.631 CCC(C)(C)C(=O)CC1CO1 1458a_100000749717_100011216344 [0,1,0,1,0,0|2,0,0]=4 2344 B11R1.631 CCC(C)(C)C(=O)CC1CS1 1458a_100000749717_100000031435 [0,1,0,1,0,0|2,0,0]=4 2345 B11R1.631 CCC(C)(C)C(=O)C[C@@H]1CO1 1458a_100000749717_100000745022 [0,1,0,1,0,0|2,0,0]=4 2346 B11R1.631 CCC(C)(C)C(=O)NC1CC1 1626a_100000212008_100000749717 [0,1,0,1,0,0|2,0,0]=4 2347 B11R1.631 CCC(C)(C)C(=O)NC1CC1 240690a_100000212008_100000749717 [0,1,0,1,0,0|2,0,0]=4 2348 B11R1.631 CCC(C)(C)C(=O)NC1CC1 527a_100000212008_100000749717 [0,1,0,1,0,0|2,0,0]=4 2349 B11R1.631 CCC(C)(O)C(=O)CC1CC1 1458a_100011219770_100000742324 [0,1,0,1,0,0|1,0,0]=3 2350 B11R1.631 CCC(C)(O)C(=O)CC1CO1 1458a_100011219770_100011216344 [0,1,0,1,0,0|1,0,0]=3 2351 B11R1.631 CCC(C)(O)C(=O)CC1CS1 1458a_100011219770_100000031435 [0,1,0,1,0,0|1,0,0]=3 2352 B11R1.631 CCC(C)(O)C(=O)C[C@@H]1CO1 1458a_100011219770_100000745022 [0,1,0,1,0,0|1,0,0]=3 2353 B11R1.631 CCC(C)(O)C(=O)NC1CC1 240690a_100000212008_100011219770 [0,1,0,1,0,0|1,0,0]=3 2354 B11R1.996 C#CCCC(=O)C1(CCC1)O 1458a_100000242746_100000753159 [0,1,0,1,0,0|1,0,1]=4 2355 B11R1.996 C#CCNC(=O)C1(CCC1)O 240690a_100000212058_100000242746 [0,1,0,1,0,0|1,0,1]=4 2356 B11R1.996 C/C=C/CC(=O)C1(CCC1)O 1458a_100000242746_100102629194 [0,1,0,1,0,0|1,0,1]=4 2357 B11R1.996 C=CCCC(=O)C1(CCC1)O 1458a_100000242746_100000754431 [0,1,0,1,0,0|1,0,1]=4 2358 B11R1.996 C=CCNC(=O)C1(CCC1)O 240690a_100020586998_100000242746 [0,1,0,1,0,0|1,0,1]=4 2359 B11R1.996 CC#CCC(=O)C1(CCC1)O 1458a_100000242746_100000748600 [0,1,0,1,0,0|1,0,1]=4 2360 B11R1.996 CC1(CCC1)C(=O)CCCF 1458a_100000684636_100011934791 [0,1,0,1,0,0|2,0,0]=4 2361 B11R1.996 CC1(CCC1)C(=O)CCCO 1458a_100000684636_100011215043 [0,1,0,1,0,0|2,0,0]=4 2362 B11R1.996 CC1(CCC1)C(=O)NCCF 11a_100000724931_100000684636 [0,1,0,1,0,0|2,0,0]=4 2363 B11R1.996 CC1(CCC1)C(=O)NCCF 1626a_100000724931_100000684636 [0,1,0,1,0,0|2,0,0]=4 2364 B11R1.996 CC1(CCC1)C(=O)NCCF 240690a_100000724931_100000684636 [0,1,0,1,0,0|2,0,0]=4 2365 B11R1.996 CC1(CCC1)C(=O)NCCF 527a_100000724931_100000684636 [0,1,0,1,0,0|2,0,0]=4 2366 B11R1.996 CC1(CCC1)C(=O)NCCO 240690a_100000210304_100000684636 [0,1,0,1,0,0|2,0,0]=4 2367 B11R1.996 CC1(CCC1)C(=O)NCCO 527a_100000210304_100000684636 [0,1,0,1,0,0|2,0,0]=4 2368 B11R1.996 CC=CCC(=O)C1(CCC1)O 1458a_100000242746_100000070051 [0,1,0,1,0,0|1,0,1]=4 2369 B11R1.996 CCCCC(=O)C1(CCC1)C 1458a_100000684636_100000210211 [0,1,0,1,0,0|2,0,0]=4 2370 B11R1.996 CCCCC(=O)C1(CCC1)O 1458a_100000242746_100000210211 [0,1,0,1,0,0|1,0,0]=3 2371 B11R1.996 CCCCC(=O)C1(COC1)O 1458a_100010273515_100000210211 [0,1,0,1,0,0|2,0,0]=4 2372 B11R1.996 CCCNC(=O)C1(CCC1)C 11a_100020643023_100000684636 [0,1,0,1,0,0|2,0,0]=4 2373 B11R1.996 CCCNC(=O)C1(CCC1)C 1626a_100020643023_100000684636 [0,1,0,1,0,0|2,0,0]=4 2374 B11R1.996 CCCNC(=O)C1(CCC1)C 240690a_100020643023_100000684636 [0,1,0,1,0,0|2,0,0]=4 2375 B11R1.996 CCCNC(=O)C1(CCC1)C 527a_100020643023_100000684636 [0,1,0,1,0,0|2,0,0]=4 2376 B11R1.996 CCCNC(=O)C1(CCC1)O 240690a_100020643023_100000242746 [0,1,0,1,0,0|1,0,0]=3 2377 B11R1.996 CCCNC(=O)C1(COC1)O 240690a_100020643023_100010273515 [0,1,0,1,0,0|2,0,0]=4 2378 B11R1.996 CCNNC(=O)C1(CCC1)C 22a_100000756455_100000684636 [0,1,0,1,0,0|2,0,0]=4 2379 B11R1.996 CCNNC(=O)C1(CCC1)O 22a_100000756455_100000242746 [0,1,0,1,0,0|1,0,0]=3 2380 B11R1.996 CCNNC(=O)C1(COC1)O 22a_100000756455_100010273515 [0,1,0,1,0,0|2,0,0]=4 2381 B11R1.996 COCCC(=O)C1(CCC1)C 1458a_100000684636_100000233755 [0,1,0,1,0,0|2,0,0]=4 2382 B11R1.996 COCCC(=O)C1(CCC1)O 1458a_100000242746_100000233755 [0,1,0,1,0,0|1,0,0]=3 2383 B11R1.996 COCCC(=O)C1(COC1)O 1458a_100010273515_100000233755 [0,1,0,1,0,0|2,0,0]=4 2384 B11R1.996 CSCCC(=O)C1(CCC1)C 1458a_100000684636_100000751147 [0,1,0,1,0,0|2,0,0]=4 2385 B11R1.996 CSCCC(=O)C1(CCC1)O 1458a_100000242746_100000751147 [0,1,0,1,0,0|1,0,0]=3 2386 B11R1.996 CSCCC(=O)C1(COC1)O 1458a_100010273515_100000751147 [0,1,0,1,0,0|2,0,0]=4 2387 B11R1.996 N#CCCC(=O)C1(CCC1)O 1458a_100000242746_100011215226 [0,1,0,1,0,0|1,0,1]=4 2388 B11R1.996 O=C(CCCF)C1(CCC1)O 1458a_100000242746_100011934791 [0,1,0,1,0,0|1,0,0]=3 2389 B11R1.996 O=C(CCCF)C1(COC1)O 1458a_100010273515_100011934791 [0,1,0,1,0,0|2,0,0]=4 2390 B11R1.996 O=C(CCCO)C1(CCC1)O 1458a_100000242746_100011215043 [0,1,0,1,0,0|1,0,0]=3 2391 B11R1.996 O=C(CCCO)C1(COC1)O 1458a_100010273515_100011215043 [0,1,0,1,0,0|2,0,0]=4 2392 B11R1.996 O=C(NCCF)C1(CCC1)O 240690a_100000724931_100000242746 [0,1,0,1,0,0|1,0,0]=3 2393 B11R1.996 O=C(NCCF)C1(COC1)O 240690a_100000724931_100010273515 [0,1,0,1,0,0|2,0,0]=4 2394 B11R1.996 O=C(NCCO)C1(CCC1)O 240690a_100000210304_100000242746 [0,1,0,1,0,0|1,0,0]=3 2395 B11R1.996 O=C(NCCO)C1(COC1)O 240690a_100000210304_100010273515 [0,1,0,1,0,0|2,0,0]=4 2396 B11R1.1264 C=C(C)CC(=O)C1(CCC1)O 1458a_100000242746_100000748629 [0,1,0,1,0,0|1,0,1]=4 2397 B11R1.1264 CC(C)CC(=O)C1(CCC1)C 1458a_100000684636_100000210624 [0,1,0,1,0,0|2,0,0]=4 2398 B11R1.1264 CC(C)CC(=O)C1(CCC1)O 1458a_100000242746_100000210624 [0,1,0,1,0,0|1,0,0]=3 2399 B11R1.1264 CC(C)CC(=O)C1(COC1)O 1458a_100010273515_100000210624 [0,1,0,1,0,0|2,0,0]=4 2400 B11R1.1264 CC(C)NC(=O)C1(CCC1)C 11a_100138425928_100000684636 [0,1,0,1,0,0|2,0,0]=4 2401 B11R1.1264 CC(C)NC(=O)C1(CCC1)C 1626a_100138425928_100000684636 [0,1,0,1,0,0|2,0,0]=4 2402 B11R1.1264 CC(C)NC(=O)C1(CCC1)C 240690a_100138425928_100000684636 [0,1,0,1,0,0|2,0,0]=4 2403 B11R1.1264 CC(C)NC(=O)C1(CCC1)C 527a_100138425928_100000684636 [0,1,0,1,0,0|2,0,0]=4 2404 B11R1.1264 CC(C)NC(=O)C1(CCC1)O 240690a_100138425928_100000242746 [0,1,0,1,0,0|1,0,0]=3 2405 B11R1.1264 CC(C)NC(=O)C1(COC1)O 240690a_100138425928_100010273515 [0,1,0,1,0,0|2,0,0]=4 2406 B11R1.1264 CC(O)CC(=O)C1(CCC1)C 1458a_100000684636_100011218427 [0,1,0,1,0,0|2,0,0]=4 2407 B11R1.1264 CC(O)CC(=O)C1(CCC1)O 1458a_100000242746_100011218427 [0,1,0,1,0,0|1,0,0]=3 2408 B11R1.1264 CC(O)CC(=O)C1(COC1)O 1458a_100010273515_100011218427 [0,1,0,1,0,0|2,0,0]=4 2409 B11R1.1264 O=C(CC(F)F)C1(CCC1)O 1458a_100000242746_100011934356 [0,1,0,1,0,0|2,0,0]=4 2410 B11R1.268 CCN1CCNC(=O)C1(C)C 2230a_100000751695_100000210202 [0,1,0,1,0,0|2,0,0]=4 2411 B11R1.268 CCN1CCNC(=O)C1(C)C 269982a_100000751695_100000204670 [0,1,0,1,0,0|2,0,0]=4 2412 B11R1.268 CCN1CCNC(=O)C1(C)C 34a_100000751695_100000210202 [0,1,0,1,0,0|2,0,0]=4 2413 B11R1.819 CC1(CCCO1)C(=O)CCF 1458a_100000684770_100011217306 [0,1,0,1,0,0|2,0,0]=4 2414 B11R1.819 CC1(CCCO1)C(=O)CCO 1458a_100000684770_100000211926 [0,1,0,1,0,0|2,0,0]=4 2415 B11R1.819 CCCC(=O)C1(CCCC1)C 1458a_100000239728_100000210303 [0,1,0,1,0,0|2,0,0]=4 2416 B11R1.819 CCCC(=O)C1(CCCC1)O 1458a_100000242637_100000210303 [0,1,0,1,0,0|1,0,0]=3 2417 B11R1.819 CCCC(=O)C1(CCCO1)C 1458a_100000684770_100000210303 [0,1,0,1,0,0|1,0,0]=3 2418 B11R1.819 CCNC(=O)C1(CCCC1)C 11a_100015525214_100000239728 [0,1,0,1,0,0|2,0,0]=4 2419 B11R1.819 CCNC(=O)C1(CCCC1)C 240690a_100015525214_100000239728 [0,1,0,1,0,0|2,0,0]=4 2420 B11R1.819 CCNC(=O)C1(CCCC1)C 527a_100015525214_100000239728 [0,1,0,1,0,0|2,0,0]=4 2421 B11R1.819 CCNC(=O)C1(CCCC1)O 240690a_100015525214_100000242637 [0,1,0,1,0,0|1,0,0]=3 2422 B11R1.819 CCNC(=O)C1(CCCC1)O 527a_100015525214_100000242637 [0,1,0,1,0,0|1,0,0]=3 2423 B11R1.819 CCNC(=O)C1(CCCO1)C 11a_100015525214_100000684770 [0,1,0,1,0,0|1,0,0]=3 2424 B11R1.819 CCNC(=O)C1(CCCO1)C 240690a_100015525214_100000684770 [0,1,0,1,0,0|1,0,0]=3 2425 B11R1.819 CCNC(=O)C1(CCCO1)C 527a_100015525214_100000684770 [0,1,0,1,0,0|1,0,0]=3 2426 B11R1.819 CNNC(=O)C1(CCCC1)O 22a_100016993582_100000242637 [0,1,0,1,0,0|2,0,0]=4 2427 B11R1.819 CNNC(=O)C1(CCCO1)C 22a_100016993582_100000684770 [0,1,0,1,0,0|2,0,0]=4 2428 B11R1.819 O=C(CCF)C1(CCCC1)O 1458a_100000242637_100011217306 [0,1,0,1,0,0|2,0,0]=4 2429 B11R1.819 O=C(CCO)C1(CCCC1)O 1458a_100000242637_100000211926 [0,1,0,1,0,0|2,0,0]=4 2430 B11R1.838 CCCC(=O)C1(CC1)OCC 1458a_100011094191_100000210303 [0,1,0,1,0,0|2,0,0]=4 2431 B11R1.838 CCNC(=O)C1(CC1)OCC 11a_100015525214_100011094191 [0,1,0,1,0,0|2,0,0]=4 2432 B11R1.838 CCNC(=O)C1(CC1)OCC 240690a_100015525214_100011094191 [0,1,0,1,0,0|2,0,0]=4 2433 B11R1.838 CCNC(=O)C1(CC1)OCC 527a_100015525214_100011094191 [0,1,0,1,0,0|2,0,0]=4 2434 B11R1.838 CCOC(=O)C1(CC1)CNC 2230a_106832991635_100010983122 [0,1,0,1,0,0|1,0,0]=3 2435 B11R1.838 CCOC(=O)C1(CC1)CNC 34a_100102657272_100010983122 [0,1,0,1,0,0|1,0,0]=3 2436 B11R1.838 CCOC(=O)C1(CC1)CNC 7a_106832991635_100010983122 [0,1,0,1,0,0|1,0,0]=3 2437 B11R1.838 CCOC(=O)C1(CC1)COC 34a_100138415774_100010983122 [0,1,0,1,0,0|1,0,0]=3 2438 B11R1.838 CCOC(=O)C1(CC1)COC 7a_100000093544_200000210301 [0,1,0,1,0,0|1,0,0]=3 2439 B11R1.838 CCOC(=O)C1(CC1)CO[13CH3] 7a_100000093544_200025704644 [0,1,0,1,0,0|1,0,0]=3 2440 B11R1.838 CCOC(=O)C1(CC1)CSC 62a_100010983122_200000210301 [0,1,0,1,0,0|1,0,0]=3 2441 B11R1.838 CCOC(=O)C1(CC1)CSC 62a_200000210301_100010983122 [0,1,0,1,0,0|1,0,0]=3 2442 B11R1.838 CCOC(=O)C1(CC1)CS[13CH3] 62a_100010983122_200025704644 [0,1,0,1,0,0|1,0,0]=3 2443 B11R1.838 CCOC(=O)C1(CC1)CS[13CH3] 62a_200025704644_100010983122 [0,1,0,1,0,0|1,0,0]=3 2444 B11R1.838 CCOC(=O)C1(CC1)OCC 34a_100121572206_100009861064 [0,1,0,1,0,0|1,0,0]=3 2445 B11R1.838 CCOC(=O)C1(CC1)OCC 7a_200011934196_100000210202 [0,1,0,1,0,0|1,0,0]=3 2446 B11R1.838 CCOC(=O)C1(CC1)OCF 7a_200011934196_100015361967 [0,1,0,1,0,0|2,0,0]=4 2447 B11R1.838 CCOC(=O)C1(CC1)SCC 62a_100000210202_100009861064 [0,1,0,1,0,0|1,0,0]=3 2448 B11R1.838 CCOC(=O)C1(CC1)SCC 62a_100009861064_100000210202 [0,1,0,1,0,0|1,0,0]=3 2449 B11R1.838 CCOC(=O)C1(CC1)SCF 62a_100009861064_100015361967 [0,1,0,1,0,0|2,0,0]=4 2450 B11R1.838 CCOC(=O)C1(CC1)SCF 62a_100015361967_100009861064 [0,1,0,1,0,0|2,0,0]=4 2451 B11R1.831 CCC1(COC1)C(=O)CCF 1458a_100000139254_100011217306 [0,1,0,1,0,0|2,0,0]=4 2452 B11R1.831 CCC1(COC1)C(=O)CCO 1458a_100000139254_100000211926 [0,1,0,1,0,0|2,0,0]=4 2453 B11R1.831 CCC1(COC1)C(=O)NNC 22a_100016993582_100000139254 [0,1,0,1,0,0|2,0,0]=4 2454 B11R1.831 CCCC(=O)C1(CCC1)C#N 1458a_100000752263_100000210303 [0,1,0,1,0,0|2,0,0]=4 2455 B11R1.831 CCCC(=O)C1(CCC1)CC 1458a_100000685558_100000210303 [0,1,0,1,0,0|2,0,0]=4 2456 B11R1.831 CCCC(=O)C1(COC1)CC 1458a_100000139254_100000210303 [0,1,0,1,0,0|1,0,0]=3 2457 B11R1.831 CCNC(=O)C1(CCC1)C#N 11a_100015525214_100000752263 [0,1,0,1,0,0|2,0,0]=4 2458 B11R1.831 CCNC(=O)C1(CCC1)C#N 240690a_100015525214_100000752263 [0,1,0,1,0,0|2,0,0]=4 2459 B11R1.831 CCNC(=O)C1(CCC1)C#N 527a_100015525214_100000752263 [0,1,0,1,0,0|2,0,0]=4 2460 B11R1.831 CCNC(=O)C1(CCC1)CC 11a_100015525214_100000685558 [0,1,0,1,0,0|2,0,0]=4 2461 B11R1.831 CCNC(=O)C1(CCC1)CC 240690a_100015525214_100000685558 [0,1,0,1,0,0|2,0,0]=4 2462 B11R1.831 CCNC(=O)C1(CCC1)CC 527a_100015525214_100000685558 [0,1,0,1,0,0|2,0,0]=4 2463 B11R1.831 CCNC(=O)C1(COC1)CC 11a_100015525214_100000139254 [0,1,0,1,0,0|1,0,0]=3 2464 B11R1.831 CCNC(=O)C1(COC1)CC 240690a_100015525214_100000139254 [0,1,0,1,0,0|1,0,0]=3 2465 B11R1.831 CCNC(=O)C1(COC1)CC 527a_100015525214_100000139254 [0,1,0,1,0,0|1,0,0]=3 2466 B11R1.831 CCOC(=O)C1(CCC1)NC 34a_100102657272_100009814009 [0,1,0,1,0,0|1,0,0]=3 2467 B11R1.831 CCOC(=O)C1(CCC1)NC 7a_106832991635_100009814009 [0,1,0,1,0,0|1,0,0]=3 2468 B11R1.831 CCOC(=O)C1(CCC1)OC 34a_100138415774_100009814009 [0,1,0,1,0,0|0,0,0]=2 2469 B11R1.831 CCOC(=O)C1(CCC1)SC 62a_100009814009_200000210301 [0,1,0,1,0,0|0,1,0]=3 2470 B11R1.831 CCOC(=O)C1(CCC1)SC 62a_200000210301_100009814009 [0,1,0,1,0,0|0,1,0]=3 2471 B11R1.831 CCOC(=O)C1(CCC1)S[13CH3] 62a_100009814009_200025704644 [0,1,0,1,0,0|0,1,0]=3 2472 B11R1.831 CCOC(=O)C1(CCC1)S[13CH3] 62a_200025704644_100009814009 [0,1,0,1,0,0|0,1,0]=3 2473 B11R1.1058 CCC1(C(=O)NCCN1C)C 2230a_100011653952_200000210301 [0,1,0,1,0,0|2,0,0]=4 2474 B11R1.1058 CCC1(C(=O)NCCN1C)C 269982a_100011653952_200000210301 [0,1,0,1,0,0|2,0,0]=4 2475 B11R1.1058 CCC1(C(=O)NCCN1C)C 34a_100011653952_200000210301 [0,1,0,1,0,0|2,0,0]=4 2476 B11R1.1058 CCC1(C(=O)NCCN1[13CH3])C 2230a_100011653952_200025704644 [0,1,0,1,0,0|2,0,0]=4 2477 B11R1.1058 CCC1(C(=O)NCCN1[13CH3])C 269982a_100011653952_200025704644 [0,1,0,1,0,0|2,0,0]=4 2478 B11R1.1058 CCC1(C(=O)NCCN1[13CH3])C 34a_100011653952_200025704644 [0,1,0,1,0,0|2,0,0]=4 2479 B11R1.1538 CCC(C)(CC)C(=O)C1CC1 1458a_100000210395_100009817345 [0,1,0,1,0,0|2,0,0]=4 2480 B11R2.881 CCCC(=O)C12CC(C1)C2 1458a_100000137470_100000210303 [0,0,0,2,0,0|2,0,0]=4 2481 B11R2.881 CCNC(=O)C12CC(C1)C2 11a_100015525214_100000137470 [0,0,0,2,0,0|2,0,0]=4 2482 B11R2.881 CCNC(=O)C12CC(C1)C2 240690a_100015525214_100000137470 [0,0,0,2,0,0|2,0,0]=4 2483 B11R2.881 CCNC(=O)C12CC(C1)C2 527a_100015525214_100000137470 [0,0,0,2,0,0|2,0,0]=4 2484 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [1,0,0,0,0,1|1,0,1]=4 2485 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [1,0,0,0,0,1|1,0,1]=4 2486 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [1,0,0,0,0,1|1,0,1]=4 2487 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [1,0,0,0,0,1|1,0,1]=4 2488 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [1,0,0,0,0,1|1,0,1]=4 2489 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [1,0,0,0,0,1|1,0,1]=4 2490 B9R0.34 CC=CC(=O)NC(C)CC 11a_100000209981_100000210699 [1,0,0,0,0,1|1,0,1]=4 2491 B9R0.34 CC=CC(=O)NC(C)CC 1626a_100000209981_100000210699 [1,0,0,0,0,1|1,0,1]=4 2492 B9R0.34 CC=CC(=O)NC(C)CC 240690a_100000209981_100000210699 [1,0,0,0,0,1|1,0,1]=4 2493 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [1,0,0,0,0,1|2,0,0]=4 2494 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [1,0,0,0,0,1|2,0,0]=4 2495 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [1,0,0,0,0,1|2,0,0]=4 2496 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [1,0,0,0,0,1|2,0,0]=4 2497 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [1,0,0,0,0,1|2,0,0]=4 2498 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [1,0,0,0,0,1|2,0,0]=4 2499 B9R0.34 CCC(C)NC(=O)CCO 240690a_100000209981_100011216618 [1,0,0,0,0,1|2,0,0]=4 2500 B9R0.34 CCC(C)NC(=O)CNC 2230a_106832991635_100000182745 [1,0,0,0,0,1|2,0,0]=4 2501 B9R0.34 CCC(C)NC(=O)CNC 34a_100102657272_100000182745 [1,0,0,0,0,1|2,0,0]=4 2502 B9R0.34 CCC(C)NC(=O)CNC 7a_106832991635_100000182745 [1,0,0,0,0,1|2,0,0]=4 2503 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [1,0,0,0,0,1|2,0,0]=4 2504 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [1,0,0,0,0,1|2,0,0]=4 2505 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [1,0,0,0,0,1|2,0,0]=4 2506 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [1,0,0,0,0,1|2,0,0]=4 2507 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [1,0,0,0,0,1|2,0,0]=4 2508 B9R0.34 CCC(C)NC(=O)CSC 11a_100000209981_100000184570 [1,0,0,0,0,1|2,0,0]=4 2509 B9R0.34 CCC(C)NC(=O)CSC 1626a_100000209981_100000184570 [1,0,0,0,0,1|2,0,0]=4 2510 B9R0.34 CCC(C)NC(=O)CSC 240690a_100000209981_100000184570 [1,0,0,0,0,1|2,0,0]=4 2511 B9R0.34 CCC(C)NC(=O)CSC 527a_100000209981_100000184570 [1,0,0,0,0,1|2,0,0]=4 2512 B9R0.34 CCC(C)NC(=O)CSC 62a_100000182745_200000210301 [1,0,0,0,0,1|2,0,0]=4 2513 B9R0.34 CCC(C)NC(=O)CSC 62a_200000210301_100000182745 [1,0,0,0,0,1|2,0,0]=4 2514 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_100000182745_200025704644 [1,0,0,0,0,1|2,0,0]=4 2515 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000182745 [1,0,0,0,0,1|2,0,0]=4 2516 B9R0.34 CCC(C)NC(=O)NNC 273464a_100000209981_100016993582 [1,0,0,0,0,1|2,0,0]=4 2517 B9R0.34 CCC(C)NC(=O)NNC 512a_100000209981_100016993582 [1,0,0,0,0,1|2,0,0]=4 2518 B9R0.34 CCC(C)NC(=O)NNC 512a_100016993582_100000209981 [1,0,0,0,0,1|2,0,0]=4 2519 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [1,0,0,0,0,1|2,0,0]=4 2520 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [1,0,0,0,0,1|2,0,0]=4 2521 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [1,0,0,0,0,1|2,0,0]=4 2522 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [1,0,0,0,0,1|2,0,0]=4 2523 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [1,0,0,0,0,1|2,0,0]=4 2524 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [1,0,0,0,0,1|2,0,0]=4 2525 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [1,0,0,0,0,1|1,0,1]=4 2526 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [1,0,0,0,0,1|1,0,0]=3 2527 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [1,0,0,0,0,1|1,0,0]=3 2528 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [1,0,0,0,0,1|1,0,0]=3 2529 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [1,0,0,0,0,1|1,0,0]=3 2530 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [1,0,0,0,0,1|2,0,0]=4 2531 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [1,0,0,0,0,1|2,0,0]=4 2532 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [1,0,0,0,0,1|2,0,0]=4 2533 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [1,0,0,0,0,1|1,0,0]=3 2534 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [1,0,0,0,0,1|2,0,0]=4 2535 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [1,0,0,0,0,1|1,0,0]=3 2536 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [1,0,0,0,0,1|1,0,0]=3 2537 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [1,0,0,0,0,1|1,0,0]=3 2538 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [1,0,0,0,0,1|1,0,0]=3 2539 B9R0.34 CCCC(=O)N[C@H](C)CF 11a_100102880703_100000211992 [1,0,0,0,0,1|2,0,0]=4 2540 B9R0.34 CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211992 [1,0,0,0,0,1|2,0,0]=4 2541 B9R0.34 CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211992 [1,0,0,0,0,1|2,0,0]=4 2542 B9R0.34 CCCC(=O)N[C@H](C)CF 527a_100102880703_100000211992 [1,0,0,0,0,1|2,0,0]=4 2543 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [1,0,0,0,0,1|2,0,0]=4 2544 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [1,0,0,0,0,1|2,0,0]=4 2545 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [1,0,0,0,0,1|1,0,1]=4 2546 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [1,0,0,0,0,1|1,0,1]=4 2547 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [1,0,0,0,0,1|1,0,0]=3 2548 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [1,0,0,0,0,1|1,0,0]=3 2549 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [1,0,0,0,0,1|1,0,0]=3 2550 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [1,0,0,0,0,1|1,0,0]=3 2551 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [1,0,0,0,0,1|2,0,0]=4 2552 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [1,0,0,0,0,1|2,0,0]=4 2553 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [1,0,0,0,0,1|2,0,0]=4 2554 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [1,0,0,0,0,1|2,0,0]=4 2555 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [1,0,0,0,0,1|2,0,0]=4 2556 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [1,0,0,0,0,1|2,0,0]=4 2557 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [1,0,0,0,0,1|1,0,0]=3 2558 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [1,0,0,0,0,1|1,0,0]=3 2559 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [1,0,0,0,0,1|1,0,0]=3 2560 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [1,0,0,0,0,1|1,0,0]=3 2561 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [1,0,0,0,0,1|1,0,0]=3 2562 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [1,0,0,0,0,1|1,0,0]=3 2563 B9R0.34 CCNC(=O)N[C@H](C)CF 2708a_100015525214_100102880703 [1,0,0,0,0,1|2,0,0]=4 2564 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100015525214_100102880703 [1,0,0,0,0,1|2,0,0]=4 2565 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100102880703_100015525214 [1,0,0,0,0,1|2,0,0]=4 2566 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100015525214_100102880703 [1,0,0,0,0,1|2,0,0]=4 2567 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100102880703_100015525214 [1,0,0,0,0,1|2,0,0]=4 2568 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [1,0,0,0,0,1|2,0,0]=4 2569 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [1,0,0,0,0,1|2,0,0]=4 2570 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [1,0,0,0,0,1|2,0,0]=4 2571 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [1,0,0,0,0,1|2,0,0]=4 2572 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [1,0,0,0,0,1|0,0,2]=4 2573 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [1,0,0,0,0,1|0,0,2]=4 2574 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [1,0,0,0,0,1|1,0,0]=3 2575 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [1,0,0,0,0,1|1,0,0]=3 2576 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [1,0,0,0,0,1|1,0,0]=3 2577 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [1,0,0,0,0,1|1,0,0]=3 2578 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [1,0,0,0,0,1|1,0,0]=3 2579 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [1,0,0,0,0,1|1,0,0]=3 2580 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [1,0,0,0,0,1|1,0,0]=3 2581 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [1,0,0,0,0,1|1,0,0]=3 2582 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [1,0,0,0,0,1|1,0,0]=3 2583 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [1,0,0,0,0,1|1,0,0]=3 2584 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [1,0,0,0,0,1|1,0,0]=3 2585 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [1,0,0,0,0,1|1,0,0]=3 2586 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [1,0,0,0,0,1|1,0,0]=3 2587 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [1,0,0,0,0,1|1,0,0]=3 2588 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [1,0,0,0,0,1|1,0,0]=3 2589 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [1,0,0,0,0,1|1,0,0]=3 2590 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [1,0,0,0,0,1|1,0,0]=3 2591 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [1,0,0,0,0,1|1,0,0]=3 2592 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [1,0,0,0,0,1|1,0,0]=3 2593 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [1,0,0,0,0,1|2,0,0]=4 2594 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [1,0,0,0,0,1|2,0,0]=4 2595 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [1,0,0,0,0,1|2,0,0]=4 2596 B9R0.44 CC(C)(O)CC(=O)CCF 1458a_100000693243_100011217306 [1,0,0,0,0,1|2,0,0]=4 2597 B9R0.44 CC(C)(O)CC(=O)CCO 1458a_100000693243_100000211926 [1,0,0,0,0,1|2,0,0]=4 2598 B9R0.44 CCCC(=O)CC(C)(C)C 1458a_100000211214_100000210303 [1,0,0,0,0,1|2,0,0]=4 2599 B9R0.44 CCCC(=O)CC(C)(C)O 1458a_100000693243_100000210303 [1,0,0,0,0,1|1,0,0]=3 2600 B9R0.44 CCCC(=O)NC(C)(C)C 11a_100000715429_100000211992 [1,0,0,0,0,1|2,0,0]=4 2601 B9R0.44 CCCC(=O)NC(C)(C)C 1626a_100000715429_100000211992 [1,0,0,0,0,1|2,0,0]=4 2602 B9R0.44 CCCC(=O)NC(C)(C)C 240690a_100000715429_100000211992 [1,0,0,0,0,1|2,0,0]=4 2603 B9R0.44 CCCC(=O)NC(C)(C)C 527a_100000715429_100000211992 [1,0,0,0,0,1|2,0,0]=4 2604 B9R0.44 CCNC(=O)CC(C)(C)C 11a_100015525214_100000211214 [1,0,0,0,0,1|2,0,0]=4 2605 B9R0.44 CCNC(=O)CC(C)(C)C 240690a_100015525214_100000211214 [1,0,0,0,0,1|2,0,0]=4 2606 B9R0.44 CCNC(=O)CC(C)(C)C 527a_100015525214_100000211214 [1,0,0,0,0,1|2,0,0]=4 2607 B9R0.44 CCNC(=O)CC(C)(C)O 527a_100015525214_100000693243 [1,0,0,0,0,1|1,0,0]=3 2608 B9R0.44 CCNC(=O)NC(C)(C)C 2708a_100015525214_100000715429 [1,0,0,0,0,1|2,0,0]=4 2609 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100000715429_100015525214 [1,0,0,0,0,1|2,0,0]=4 2610 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100015525214_100000715429 [1,0,0,0,0,1|2,0,0]=4 2611 B9R0.44 CCNC(=O)NC(C)(C)C 512a_100000715429_100015525214 [1,0,0,0,0,1|2,0,0]=4 2612 B9R0.44 CNNC(=O)CC(C)(C)O 22a_100016993582_100000693243 [1,0,0,0,0,1|2,0,0]=4 2613 B11R0.170 CCCC(=O)CNC(C)(C)CC 2230a_100000211385_100000747444 [0,0,0,0,0,2|2,0,0]=4 2614 B11R0.170 CCCC(=O)COC(C)(C)CC 7a_100000210230_100000747444 [0,0,0,0,0,2|2,0,0]=4 2615 B11R0.170 CCCC(=O)CSC(C)(C)CC 62a_100000032637_100000747444 [0,0,0,0,0,2|2,0,0]=4 2616 B11R0.170 CCCC(=O)CSC(C)(C)CC 62a_100000747444_100000032637 [0,0,0,0,0,2|2,0,0]=4 2617 B11R0.170 CCNC(=O)CNC(C)(C)CC 2230a_100000211385_100000183381 [0,0,0,0,0,2|2,0,0]=4 2618 B11R0.170 CCNC(=O)COC(C)(C)CC 7a_100000210230_100000183381 [0,0,0,0,0,2|2,0,0]=4 2619 B11R0.170 CCNC(=O)CSC(C)(C)CC 62a_100000032637_100000183381 [0,0,0,0,0,2|2,0,0]=4 2620 B11R0.170 CCNC(=O)CSC(C)(C)CC 62a_100000183381_100000032637 [0,0,0,0,0,2|2,0,0]=4 2621 B11R0.170 CCOC(=O)CNC(C)(C)CC 2230a_100000211385_100000188475 [0,0,0,0,0,2|1,0,0]=3 2622 B11R0.170 CCOC(=O)CNC(C)(C)CO 2230a_100000210608_100000188475 [0,0,0,0,0,2|2,0,0]=4 2623 B11R0.170 CCOC(=O)COC(C)(C)CC 7a_100000210230_100000188475 [0,0,0,0,0,2|1,0,0]=3 2624 B11R0.170 CCOC(=O)COC(C)(C)CCl 7a_100000764493_100000188475 [0,0,0,0,0,2|2,0,0]=4 2625 B11R0.170 CCOC(=O)CSC(C)(C)CC 62a_100000032637_100000188475 [0,0,0,0,0,2|1,0,0]=3 2626 B11R0.170 CCOC(=O)CSC(C)(C)CC 62a_100000188475_100000032637 [0,0,0,0,0,2|1,0,0]=3