0 B8R0.1 C#CCC(=O)C#CCC 1458a_100011827653_100000184674 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.1 C#CCC(=O)CCCF 1458a_100011220946_100011934791 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.1 C#CCC(=O)CCOC 1458a_100000749529_100000184674 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.1 C#CCC(=O)CCOC 1458a_100011220946_100000233755 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.1 C#CCC(=O)CSCC 1458a_100000230394_100000184674 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.1 C#CCC(=O)NCCF 1626a_100000724931_100011220946 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.1 C#CCC(=O)NCCF 527a_100000724931_100011220946 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.1 C#CCC(=O)NCCO 527a_100000210304_100011220946 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.1 C#CCC(C)OCCC 34a_100000685586_100000210303 [0,0,0,0,0,0|1,0,3]=4 18 B8R0.1 C#CCC(C)OCCC 7a_100000685586_100000210303 [0,0,0,0,0,0|1,0,3]=4 19 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,0,0,0,0,0|1,0,2]=3 20 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,0,0,0,0,0|1,0,2]=3 21 B8R0.1 C#CCCC(=O)CCF 1458a_100000692101_100011217306 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [0,0,0,0,0,0|1,0,2]=3 30 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [0,0,0,0,0,0|1,0,2]=3 31 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [0,0,0,0,0,0|1,0,2]=3 32 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [0,0,0,0,0,0|1,0,2]=3 33 B8R0.1 C#CCNC(=O)CCO 240690a_100000212058_100011216618 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.1 C#CCNC(=O)CNC 2230a_100000747989_200000210301 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.1 C#CCNC(=O)CNC 34a_100000747989_200000210301 [0,0,0,0,0,0|2,0,2]=4 36 B8R0.1 C#CCNC(=O)CN[13CH3] 2230a_100000747989_200025704644 [0,0,0,0,0,0|2,0,2]=4 37 B8R0.1 C#CCNC(=O)CN[13CH3] 34a_100000747989_200025704644 [0,0,0,0,0,0|2,0,2]=4 38 B8R0.1 C#CCNC(=O)COC 11a_100000212058_100000210968 [0,0,0,0,0,0|2,0,2]=4 39 B8R0.1 C#CCNC(=O)COC 1626a_100000212058_100000210968 [0,0,0,0,0,0|2,0,2]=4 40 B8R0.1 C#CCNC(=O)COC 240690a_100000212058_100000210968 [0,0,0,0,0,0|2,0,2]=4 41 B8R0.1 C#CCNC(=O)COC 527a_100000212058_100000210968 [0,0,0,0,0,0|2,0,2]=4 42 B8R0.1 C#CCNC(=O)CSC 11a_100000212058_100000184570 [0,0,0,0,0,0|2,0,2]=4 43 B8R0.1 C#CCNC(=O)CSC 1626a_100000212058_100000184570 [0,0,0,0,0,0|2,0,2]=4 44 B8R0.1 C#CCNC(=O)CSC 240690a_100000212058_100000184570 [0,0,0,0,0,0|2,0,2]=4 45 B8R0.1 C#CCNC(=O)CSC 527a_100000212058_100000184570 [0,0,0,0,0,0|2,0,2]=4 46 B8R0.1 C#CCNC(=O)NCC 2708a_100000212058_100015525214 [0,0,0,0,0,0|2,0,2]=4 47 B8R0.1 C#CCNC(=O)NCC 2708a_100015525214_100000212058 [0,0,0,0,0,0|2,0,2]=4 48 B8R0.1 C#CCNC(=O)NCC 273464a_100000212058_100015525214 [0,0,0,0,0,0|2,0,2]=4 49 B8R0.1 C#CCNC(=O)NCC 273464a_100015525214_100000212058 [0,0,0,0,0,0|2,0,2]=4 50 B8R0.1 C#CCNC(=O)NCC 512a_100000212058_100015525214 [0,0,0,0,0,0|2,0,2]=4 51 B8R0.1 C#CCNC(=O)NCC 512a_100015525214_100000212058 [0,0,0,0,0,0|2,0,2]=4 52 B8R0.1 C#CCOC(C)CCC 34a_100000210247_100000766640 [0,0,0,0,0,0|1,0,3]=4 53 B8R0.1 C#CCOC(C)CCC 34a_100000764384_100000184674 [0,0,0,0,0,0|1,0,3]=4 54 B8R0.1 C#CCOC(C)CCC 7a_100000764384_100000038162 [0,0,0,0,0,0|1,0,3]=4 55 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [0,0,0,0,0,0|1,0,3]=4 56 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,0,0,0,0,0|1,0,2]=3 57 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,0,0,0,0,0|2,0,2]=4 58 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,0,0,0,0,0|2,0,2]=4 59 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,0,0,0,0,0|2,0,2]=4 60 B8R0.1 C=C(CNC)OCOC 34a_100102657272_100000042856 [0,0,0,0,0,0|3,0,0]=3 61 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [0,0,0,0,0,0|3,0,0]=3 62 B8R0.1 C=C(CSC)OCOC 62a_100000042856_200000210301 [0,0,0,0,0,0|3,0,0]=3 63 B8R0.1 C=C(CSC)OCOC 62a_200000210301_100000042856 [0,0,0,0,0,0|3,0,0]=3 64 B8R0.1 C=C(CS[13CH3])OCOC 62a_100000042856_200025704644 [0,0,0,0,0,0|3,0,0]=3 65 B8R0.1 C=C(CS[13CH3])OCOC 62a_200025704644_100000042856 [0,0,0,0,0,0|3,0,0]=3 66 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,0,0,0,0,0|1,0,3]=4 67 B8R0.1 C=CCC(=O)C#CCC 1458a_100011827653_100000210623 [0,0,0,0,0,0|1,0,3]=4 68 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,0,0,0,0,0|1,0,3]=4 69 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,0,0,0,0,0|1,0,2]=3 70 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,0,0,0,0,0|1,0,2]=3 71 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,0,0,0,0,0|2,0,2]=4 72 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,0,0,0,0,0|2,0,2]=4 73 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,0,0,0,0,0|2,0,2]=4 74 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,0,0,0,0,0|2,0,2]=4 75 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,0,0,0,0,0|2,0,2]=4 76 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,0,0,0,0,0|2,0,2]=4 77 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,0,0,0,0,0|2,0,2]=4 78 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,0,0,0,0,0|2,0,2]=4 79 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,0,0,0,0,0|1,0,2]=3 80 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,0,0,0,0,0|1,0,2]=3 81 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,0,0,0,0,0|1,0,2]=3 82 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,0,0,0,0,0|1,0,2]=3 83 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [0,0,0,0,0,0|2,0,2]=4 84 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [0,0,0,0,0,0|2,0,2]=4 85 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [0,0,0,0,0,0|2,0,2]=4 86 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [0,0,0,0,0,0|2,0,2]=4 87 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [0,0,0,0,0,0|2,0,2]=4 88 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [0,0,0,0,0,0|2,0,2]=4 89 B8R0.1 C=CCC(=O)NNCC 22a_100000756455_100000210193 [0,0,0,0,0,0|2,0,2]=4 90 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,0,0,0,0,0|1,0,2]=3 91 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,0,0,0,0,0|1,0,2]=3 92 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,0,0,0,0,0|2,0,2]=4 93 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,0,0,0,0,0|2,0,2]=4 94 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,0,0,0,0,0|2,0,2]=4 95 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,0,0,0,0,0|2,0,2]=4 96 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,0,0,0,0,0|2,0,2]=4 97 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,0,0,0,0,0|2,0,2]=4 98 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,0,0,0,0,0|2,0,2]=4 99 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,0,0,0,0,0|2,0,2]=4 100 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,0,0,0,0,0|1,0,2]=3 101 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,0,0,0,0,0|1,0,2]=3 102 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,0,0,0,0,0|1,0,2]=3 103 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,0,0,0,0,0|2,0,2]=4 104 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [0,0,0,0,0,0|2,0,2]=4 105 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [0,0,0,0,0,0|2,0,2]=4 106 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [0,0,0,0,0,0|2,0,2]=4 107 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [0,0,0,0,0,0|2,0,2]=4 108 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [0,0,0,0,0,0|2,0,2]=4 109 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [0,0,0,0,0,0|2,0,2]=4 110 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [0,0,0,0,0,0|2,0,2]=4 111 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [0,0,0,0,0,0|2,0,2]=4 112 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [0,0,0,0,0,0|2,0,2]=4 113 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [0,0,0,0,0,0|2,0,2]=4 114 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [0,0,0,0,0,0|2,0,2]=4 115 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [0,0,0,0,0,0|2,0,2]=4 116 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,0,0,0,0,0|2,0,2]=4 117 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,0,0,0,0,0|2,0,2]=4 118 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,0,0,0,0,0|2,0,2]=4 119 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,0,0,0,0,0|2,0,2]=4 120 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,0,0,0,0,0|2,0,2]=4 121 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,0,0,0,0,0|1,0,2]=3 122 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,0,0,0,0,0|1,0,2]=3 123 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,0,0,0,0,0|1,0,2]=3 124 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,0,0,0,0,0|1,0,2]=3 125 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,0,0,0,0,0|1,0,2]=3 126 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,0,0,0,0,0|1,0,2]=3 127 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,0,0,0,0,0|1,0,2]=3 128 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,0,0,0,0,0|1,0,2]=3 129 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [0,0,0,0,0,0|1,0,3]=4 130 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [0,0,0,0,0,0|1,0,3]=4 131 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [0,0,0,0,0,0|1,0,3]=4 132 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [0,0,0,0,0,0|1,0,3]=4 133 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [0,0,0,0,0,0|1,0,3]=4 134 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,0,0,0,0,0|1,0,2]=3 135 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,0,0,0,0,0|2,0,2]=4 136 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,0,0,0,0,0|2,0,2]=4 137 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,0,0,0,0,0|2,0,2]=4 138 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,0,0,0,0,0|2,0,2]=4 139 B8R0.1 CC#CC(=O)NNCC 22a_100000756455_100000763181 [0,0,0,0,0,0|2,0,2]=4 140 B8R0.1 CC#CC(C)OCCC 34a_100011216543_100000210303 [0,0,0,0,0,0|1,0,3]=4 141 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,0,0,0,0,0|1,0,2]=3 142 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [0,0,0,0,0,0|2,0,2]=4 143 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [0,0,0,0,0,0|2,0,2]=4 144 B8R0.1 CC#CCC(=O)CSC 1458a_100000184570_100000748600 [0,0,0,0,0,0|2,0,2]=4 145 B8R0.1 CC(CCBr)OCCF 34a_100012276601_100011217306 [0,0,0,0,0,0|3,0,1]=4 146 B8R0.1 CC(CCBr)OCCO 34a_100012276601_100000211926 [0,0,0,0,0,0|3,0,1]=4 147 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [0,0,0,0,0,0|3,0,1]=4 148 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [0,0,0,0,0,0|3,0,1]=4 149 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,0,0,0,0,0|1,0,2]=3 150 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,0,0,0,0,0|2,0,2]=4 151 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,0,0,0,0,0|2,0,2]=4 152 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,0,0,0,0,0|2,0,2]=4 153 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,0,0,0,0,0|2,0,2]=4 154 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,0,0,0,0,0|1,0,2]=3 155 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,0,0,0,0,0|1,0,2]=3 156 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,0,0,0,0,0|1,0,2]=3 157 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [0,0,0,0,0,0|2,0,2]=4 158 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [0,0,0,0,0,0|2,0,2]=4 159 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [0,0,0,0,0,0|2,0,2]=4 160 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,0,0,0,0,0|2,0,2]=4 161 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [0,0,0,0,0,0|2,0,2]=4 162 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,0,0,0,0,0|1,0,2]=3 163 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,0,0,0,0,0|1,0,2]=3 164 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,0,0,0,0,0|2,0,2]=4 165 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,0,0,0,0,0|2,0,2]=4 166 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,0,0,0,0,0|2,0,2]=4 167 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,0,0,0,0,0|2,0,2]=4 168 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,0,0,0,0,0|2,0,2]=4 169 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,0,0,0,0,0|2,0,2]=4 170 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,0,0,0,0,0|2,0,2]=4 171 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,0,0,0,0,0|2,0,2]=4 172 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,0,0,0,0,0|2,0,1]=3 173 B8R0.1 CC=NNC(=O)COC 4a_100000216845_200000210099 [0,0,0,0,0,0|3,0,1]=4 174 B8R0.1 CCC#CC(=O)CC#N 1458a_100011827653_100011214920 [0,0,0,0,0,0|2,0,2]=4 175 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,0,0,0,0,0|1,0,1]=2 176 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [0,0,0,0,0,0|2,0,1]=3 177 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,0,0,0,0,0|2,0,1]=3 178 B8R0.1 CCC#CC(=O)NNC 22a_100016993582_100011827653 [0,0,0,0,0,0|3,0,1]=4 179 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [0,0,0,0,0,0|2,0,2]=4 180 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,0,0,0,0,0|1,0,1]=2 181 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,0,0,0,0,0|2,0,1]=3 182 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,0,0,0,0,0|2,0,1]=3 183 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,0,0,0,0,0|2,0,1]=3 184 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,0,0,0,0,0|2,0,1]=3 185 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,0,0,0,0,0|3,0,1]=4 186 B8R0.1 CCCC(=NNCC)C 4a_100000756455_100000211909 [0,0,0,0,0,0|3,0,0]=3 187 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [0,0,0,0,0,0|2,0,1]=3 188 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,0,0,0,0,0|2,0,1]=3 189 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,0,0,0,0,0|2,0,1]=3 190 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,0,0,0,0,0|2,0,1]=3 191 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,0,0,0,0,0|2,0,0]=2 192 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,0,0,0,0,0|2,0,0]=2 193 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,0,0,0,0,0|2,0,0]=2 194 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,0,0,0,0,0|2,0,0]=2 195 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,0,0,0,0,0|2,0,0]=2 196 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,0,0,0,0,0|2,0,0]=2 197 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,0,0,0,0,0|2,0,0]=2 198 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,0,0,0,0,0|2,0,0]=2 199 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,0,0,0,0,0|2,0,0]=2 200 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,0,0,0,0,0|2,0,0]=2 201 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,0,0,0,0,0|2,0,0]=2 202 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,0,0,0,0,0|3,0,0]=3 203 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,0,0,0,0,0|3,0,0]=3 204 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [0,0,0,0,0,0|2,0,1]=3 205 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [0,0,0,0,0,0|2,0,1]=3 206 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,0,0,0,0,0|2,0,0]=2 207 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,0,0,0,0,0|2,0,0]=2 208 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,0,0,0,0,0|2,0,0]=2 209 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,0,0,0,0,0|2,0,0]=2 210 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,0,0,0,0,0|2,0,0]=2 211 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,0,0,0,0,0|2,0,0]=2 212 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,0,0,0,0,0|2,0,0]=2 213 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,0,0,0,0,0|1,0,0]=1 214 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,0,0,0,0,0|1,0,0]=1 215 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,0,0,0,0,0|1,0,0]=1 216 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,0,0,0,0,0|1,0,0]=1 217 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,0,0,0,0,0|1,0,0]=1 218 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [0,0,0,0,0,0|3,0,1]=4 219 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [0,0,0,0,0,0|3,0,1]=4 220 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [0,0,0,0,0,0|3,0,1]=4 221 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [0,0,0,0,0,0|3,0,1]=4 222 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [0,0,0,0,0,0|3,0,1]=4 223 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [0,0,0,0,0,0|3,0,1]=4 224 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,0,0,0,0,0|3,0,1]=4 225 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,0,0,0,0,0|3,0,1]=4 226 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,0,0,0,0,0|3,0,1]=4 227 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,0,0,0,0,0|3,0,1]=4 228 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,0,0,0,0,0|3,0,1]=4 229 B8R0.1 CCCC(C)NCCF 2230a_100000741246_100011217306 [0,0,0,0,0,0|3,0,1]=4 230 B8R0.1 CCCC(C)NCCF 34a_100000724931_100000766640 [0,0,0,0,0,0|3,0,1]=4 231 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [0,0,0,0,0,0|3,0,1]=4 232 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [0,0,0,0,0,0|3,0,1]=4 233 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [0,0,0,0,0,0|3,0,1]=4 234 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [0,0,0,0,0,0|3,0,1]=4 235 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [0,0,0,0,0,0|3,0,1]=4 236 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [0,0,0,0,0,0|3,0,1]=4 237 B8R0.1 CCCC(C)OCC#N 7a_100000764384_100011215382 [0,0,0,0,0,0|2,0,2]=4 238 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,0,0,0,0,0|2,0,2]=4 239 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,0,0,0,0,0|2,0,2]=4 240 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [0,0,0,0,0,0|2,0,1]=3 241 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [0,0,0,0,0,0|2,0,1]=3 242 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [0,0,0,0,0,0|2,0,1]=3 243 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [0,0,0,0,0,0|2,0,1]=3 244 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,0,0,0,0,0|2,0,1]=3 245 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,0,0,0,0,0|2,0,1]=3 246 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,0,0,0,0,0|2,0,1]=3 247 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [0,0,0,0,0,0|2,1,1]=4 248 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [0,0,0,0,0,0|2,1,1]=4 249 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,0,0,0,0,0|2,1,1]=4 250 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,0,0,0,0,0|2,1,1]=4 251 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [0,0,0,0,0,0|2,1,1]=4 252 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [0,0,0,0,0,0|2,1,1]=4 253 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [0,0,0,0,0,0|2,1,1]=4 254 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [0,0,0,0,0,0|2,1,1]=4 255 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,0,0,0,0,0|2,0,2]=4 256 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,0,0,0,0,0|2,0,2]=4 257 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,0,0,0,0,0|2,0,2]=4 258 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,0,0,0,0,0|2,0,1]=3 259 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,0,0,0,0,0|2,0,1]=3 260 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,0,0,0,0,0|1,0,0]=1 261 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,0,0,0,0,0|1,0,0]=1 262 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,0,0,0,0,0|2,0,0]=2 263 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,0,0,0,0,0|2,0,0]=2 264 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,0,0,0,0,0|2,0,0]=2 265 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,0,0,0,0,0|2,0,0]=2 266 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,0,0,0,0,0|2,0,0]=2 267 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,0,0,0,0,0|2,0,0]=2 268 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,0,0,0,0,0|2,0,0]=2 269 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,0,0,0,0,0|2,0,0]=2 270 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,0,0,0,0,0|3,0,0]=3 271 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,0,0,0,0,0|3,0,1]=4 272 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,0,0,0,0,0|3,0,1]=4 273 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,0,0,0,0,0|3,0,1]=4 274 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,0,0,0,0,0|3,0,1]=4 275 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,0,0,0,0,0|3,0,1]=4 276 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,0,0,0,0,0|3,0,1]=4 277 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,0,0,0,0,0|3,0,1]=4 278 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,0,0,0,0,0|3,0,1]=4 279 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,0,0,0,0,0|3,0,1]=4 280 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,0,0,0,0,0|3,0,1]=4 281 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,0,0,0,0,0|3,0,1]=4 282 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,0,0,0,0,0|3,0,1]=4 283 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,0,0,0,0,0|3,0,0]=3 284 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,0,0,0,0,0|3,0,0]=3 285 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,0,0,0,0,0|3,0,0]=3 286 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,0,0,0,0,0|3,0,0]=3 287 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,0,0,0,0,0|3,0,0]=3 288 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,0,0,0,0,0|3,0,0]=3 289 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [0,0,0,0,0,0|4,0,0]=4 290 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [0,0,0,0,0,0|4,0,0]=4 291 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [0,0,0,0,0,0|4,0,0]=4 292 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [0,0,0,0,0,0|4,0,0]=4 293 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [0,0,0,0,0,0|4,0,0]=4 294 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [0,0,0,0,0,0|4,0,0]=4 295 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [0,0,0,0,0,0|4,0,0]=4 296 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [0,0,0,0,0,0|4,0,0]=4 297 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [0,0,0,0,0,0|4,0,0]=4 298 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [0,0,0,0,0,0|4,0,0]=4 299 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [0,0,0,0,0,0|4,0,0]=4 300 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [0,0,0,0,0,0|4,0,0]=4 301 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,0,0,0,0,0|3,0,0]=3 302 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,0,0,0,0,0|3,0,0]=3 303 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [0,0,0,0,0,0|4,0,0]=4 304 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [0,0,0,0,0,0|4,0,0]=4 305 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [0,0,0,0,0,0|3,0,1]=4 306 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [0,0,0,0,0,0|3,0,1]=4 307 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [0,0,0,0,0,0|4,0,0]=4 308 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [0,0,0,0,0,0|4,0,0]=4 309 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [0,0,0,0,0,0|4,0,0]=4 310 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [0,0,0,0,0,0|4,0,0]=4 311 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [0,0,0,0,0,0|4,0,0]=4 312 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [0,0,0,0,0,0|4,0,0]=4 313 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [0,0,0,0,0,0|4,0,0]=4 314 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [0,0,0,0,0,0|4,0,0]=4 315 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [0,0,0,0,0,0|4,0,0]=4 316 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [0,0,0,0,0,0|4,0,0]=4 317 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [0,0,0,0,0,0|4,0,0]=4 318 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [0,0,0,0,0,0|4,0,0]=4 319 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,0,0,0,0,0|4,0,0]=4 320 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,0,0,0,0,0|4,0,0]=4 321 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,0,0,0,0,0|4,0,0]=4 322 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,0,0,0,0,0|4,0,0]=4 323 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [0,0,0,0,0,0|4,0,0]=4 324 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [0,0,0,0,0,0|4,0,0]=4 325 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [0,0,0,0,0,0|4,0,0]=4 326 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,0,0,0,0,0|2,0,2]=4 327 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,0,0,0,0,0|2,0,2]=4 328 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,0,0,0,0,0|2,0,2]=4 329 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,0,0,0,0,0|2,0,2]=4 330 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,0,0,0,0,0|2,0,2]=4 331 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,0,0,0,0,0|2,0,2]=4 332 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [0,0,0,0,0,0|2,0,1]=3 333 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [0,0,0,0,0,0|2,0,1]=3 334 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,0,0,0,0,0|1,0,0]=1 335 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,0,0,0,0,0|1,0,0]=1 336 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,0,0,0,0,0|1,0,0]=1 337 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,0,0,0,0,0|1,0,0]=1 338 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,0,0,0,0,0|2,0,0]=2 339 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,0,0,0,0,0|2,0,0]=2 340 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,0,0,0,0,0|2,0,0]=2 341 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,0,0,0,0,0|2,0,0]=2 342 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,0,0,0,0,0|2,0,0]=2 343 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,0,0,0,0,0|2,0,0]=2 344 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,0,0,0,0,0|2,0,0]=2 345 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,0,0,0,0,0|2,0,0]=2 346 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,0,0,0,0,0|2,0,0]=2 347 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,0,0,0,0,0|2,0,0]=2 348 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,0,0,0,0,0|2,0,0]=2 349 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,0,0,0,0,0|2,0,0]=2 350 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,0,0,0,0,0|2,0,0]=2 351 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,0,0,0,0,0|2,0,0]=2 352 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,0,0,0,0,0|2,0,0]=2 353 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,0,0,0,0,0|2,0,0]=2 354 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,0,0,0,0,0|2,0,0]=2 355 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,0,0,0,0,0|2,0,0]=2 356 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,0,0,0,0,0|2,0,0]=2 357 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,0,0,0,0,0|2,0,0]=2 358 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,0,0,0,0,0|2,0,0]=2 359 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,0,0,0,0,0|2,0,0]=2 360 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,0,0,0,0,0|2,0,0]=2 361 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,0,0,0,0,0|2,0,0]=2 362 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,0,0,0,0,0|2,0,0]=2 363 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,0,0,0,0,0|3,0,0]=3 364 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,0,0,0,0,0|3,0,0]=3 365 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,0,0,0,0,0|3,0,0]=3 366 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [0,0,0,0,0,0|2,0,1]=3 367 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [0,0,0,0,0,0|2,0,1]=3 368 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [0,0,0,0,0,0|3,0,1]=4 369 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,0,0,0,0,0|3,0,1]=4 370 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [0,0,0,0,0,0|3,0,1]=4 371 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [0,0,0,0,0,0|3,0,1]=4 372 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [0,0,0,0,0,0|3,0,1]=4 373 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,0,0,0,0,0|1,0,0]=1 374 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,0,0,0,0,0|1,0,0]=1 375 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,0,0,0,0,0|1,0,0]=1 376 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,0,0,0,0,0|1,0,0]=1 377 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,0,0,0,0,0|1,0,0]=1 378 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,0,0,0,0,0|1,0,0]=1 379 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,0,0,0,0,0|1,0,0]=1 380 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,0,0,0,0,0|1,0,0]=1 381 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [0,0,0,0,0,0|2,0,1]=3 382 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,0,0,0,0,0|1,0,1]=2 383 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,0,0,0,0,0|1,0,1]=2 384 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,0,0,0,0,0|1,0,1]=2 385 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,0,0,0,0,0|2,0,1]=3 386 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [0,0,0,0,0,0|2,0,1]=3 387 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [0,0,0,0,0,0|2,0,1]=3 388 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [0,0,0,0,0,0|2,0,1]=3 389 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [0,0,0,0,0,0|2,0,1]=3 390 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,0,0,0,0,0|2,0,1]=3 391 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,0,0,0,0,0|2,0,1]=3 392 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,0,0,0,0,0|1,1,1]=3 393 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,0,0,0,0,0|1,1,1]=3 394 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,0,0,0,0,0|2,1,1]=4 395 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,0,0,0,0,0|2,1,1]=4 396 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [0,0,0,0,0,0|2,1,1]=4 397 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [0,0,0,0,0,0|2,1,1]=4 398 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [0,0,0,0,0,0|3,0,1]=4 399 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [0,0,0,0,0,0|3,0,1]=4 400 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [0,0,0,0,0,0|3,0,1]=4 401 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,0,0,0,0,0|3,0,1]=4 402 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,0,0,0,0,0|3,0,1]=4 403 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,0,0,0,0,0|3,0,1]=4 404 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,0,0,0,0,0|3,0,1]=4 405 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,0,0,0,0,0|3,0,0]=3 406 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,0,0,0,0,0|3,0,0]=3 407 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,0,0,0,0,0|3,0,0]=3 408 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,0,0,0,0,0|3,0,0]=3 409 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,0,0,0,0,0|3,0,0]=3 410 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,0,0,0,0,0|3,0,0]=3 411 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,0,0,0,0,0|3,0,0]=3 412 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,0,0,0,0,0|3,0,0]=3 413 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,0,0,0,0,0|3,0,0]=3 414 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,0,0,0,0,0|3,0,0]=3 415 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,0,0,0,0,0|3,0,0]=3 416 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,0,0,0,0,0|3,0,0]=3 417 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,0,0,0,0,0|3,0,0]=3 418 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,0,0,0,0,0|3,0,0]=3 419 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,0,0,0,0,0|3,0,0]=3 420 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,0,0,0,0,0|3,0,0]=3 421 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,0,0,0,0,0|3,0,0]=3 422 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,0,0,0,0,0|3,0,0]=3 423 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,0,0,0,0,0|3,0,0]=3 424 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,0,0,0,0,0|3,0,0]=3 425 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,0,0,0,0,0|3,0,0]=3 426 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,0,0,0,0,0|3,0,0]=3 427 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,0,0,0,0,0|3,0,0]=3 428 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,0,0,0,0,0|4,0,0]=4 429 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,0,0,0,0,0|4,0,0]=4 430 B8R0.1 CCNC(=O)NCC#N 2708a_100000734998_100015525214 [0,0,0,0,0,0|3,0,1]=4 431 B8R0.1 CCNC(=O)NCC#N 273464a_100000734998_100015525214 [0,0,0,0,0,0|3,0,1]=4 432 B8R0.1 CCNC(=O)NCC#N 273464a_100015525214_100000734998 [0,0,0,0,0,0|3,0,1]=4 433 B8R0.1 CCNC(=O)NCC#N 512a_100000734998_100015525214 [0,0,0,0,0,0|3,0,1]=4 434 B8R0.1 CCNC(=O)NCC#N 512a_100015525214_100000734998 [0,0,0,0,0,0|3,0,1]=4 435 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,0,0,0,0,0|3,0,0]=3 436 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,0,0,0,0,0|3,0,0]=3 437 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,0,0,0,0,0|3,0,0]=3 438 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,0,0,0,0,0|3,0,0]=3 439 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,0,0,0,0,0|3,0,0]=3 440 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,0,0,0,0,0|3,0,0]=3 441 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,0,0,0,0,0|3,0,0]=3 442 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,0,0,0,0,0|3,0,0]=3 443 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,0,0,0,0,0|3,0,0]=3 444 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,0,0,0,0,0|3,0,0]=3 445 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,0,0,0,0,0|4,0,0]=4 446 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,0,0,0,0,0|3,0,0]=3 447 B8R0.1 CCNN=C(C)COC 4a_100000756455_100000749346 [0,0,0,0,0,0|4,0,0]=4 448 B8R0.1 CCNN=C(C)CSC 4a_100000756455_100011216314 [0,0,0,0,0,0|4,0,0]=4 449 B8R0.1 CCNNC(=O)CC#N 22a_100000756455_100051588842 [0,0,0,0,0,0|3,0,1]=4 450 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,0,0,0,0,0|3,0,0]=3 451 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,0,0,0,0,0|3,0,0]=3 452 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [0,0,0,0,0,0|3,0,0]=3 453 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,0,0,0,0,0|3,0,0]=3 454 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,0,0,0,0,0|3,0,0]=3 455 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,0,0,0,0,0|3,0,0]=3 456 B8R0.1 CCNNC(=O)NNC 512a_100000756455_100016993582 [0,0,0,0,0,0|4,0,0]=4 457 B8R0.1 CCNNC(=O)NNC 512a_100016993582_100000756455 [0,0,0,0,0,0|4,0,0]=4 458 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,0,0,0,0,0|3,0,0]=3 459 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,0,0,0,0,0|3,0,0]=3 460 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,0,0,0,0,0|3,0,0]=3 461 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,0,0,0,0,0|3,0,0]=3 462 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,0,0,0,0,0|3,0,0]=3 463 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,0,0,0,0,0|3,0,0]=3 464 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,0,0,0,0,0|3,0,0]=3 465 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,0,0,0,0,0|3,0,0]=3 466 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,0,0,0,0,0|3,0,0]=3 467 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,0,0,0,0,0|3,0,0]=3 468 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,0,0,0,0,0|4,0,0]=4 469 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,0,0,0,0,0|4,0,0]=4 470 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,0,0,0,0,0|2,0,0]=2 471 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,0,0,0,0,0|2,0,0]=2 472 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [0,0,0,0,0,0|3,0,1]=4 473 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,0,0,0,0,0|3,0,0]=3 474 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,0,0,0,0,0|3,0,0]=3 475 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,0,0,0,0,0|4,0,0]=4 476 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,0,0,0,0,0|4,0,0]=4 477 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,0,0,0,0,0|3,0,0]=3 478 B8R0.1 CCSCC(=O)CC#N 1458a_100000230394_100011214920 [0,0,0,0,0,0|3,0,1]=4 479 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,0,0,0,0,0|3,0,0]=3 480 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,0,0,0,0,0|3,0,0]=3 481 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,0,0,0,0,0|4,0,0]=4 482 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,0,0,0,0,0|4,0,0]=4 483 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,0,0,0,0,0|4,0,0]=4 484 B8R0.1 CNCC(=O)NCC#N 2230a_106832991635_100000736037 [0,0,0,0,0,0|3,0,1]=4 485 B8R0.1 CNCC(=O)NCC#N 7a_106832991635_100000736037 [0,0,0,0,0,0|3,0,1]=4 486 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,0,0,0,0,0|3,0,0]=3 487 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,0,0,0,0,0|4,0,0]=4 488 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,0,0,0,0,0|4,0,0]=4 489 B8R0.1 CNNC(=O)NCCF 273464a_100000724931_100016993582 [0,0,0,0,0,0|4,0,0]=4 490 B8R0.1 CNNC(=O)NCCF 512a_100016993582_100000724931 [0,0,0,0,0,0|4,0,0]=4 491 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [0,0,0,0,0,0|4,0,0]=4 492 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [0,0,0,0,0,0|4,0,0]=4 493 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [0,0,0,0,0,0|3,0,1]=4 494 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [0,0,0,0,0,0|3,0,1]=4 495 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,0,0,0,0,0|3,0,1]=4 496 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,0,0,0,0,0|3,0,0]=3 497 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,0,0,0,0,0|3,0,0]=3 498 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,0,0,0,0,0|3,0,0]=3 499 B8R0.1 COCC(=O)NCC#N 1626a_100000734998_100000210968 [0,0,0,0,0,0|3,0,1]=4 500 B8R0.1 COCC(=O)NCC#N 527a_100000734998_100000210968 [0,0,0,0,0,0|3,0,1]=4 501 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,0,0,0,0,0|3,0,0]=3 502 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,0,0,0,0,0|3,0,0]=3 503 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,0,0,0,0,0|3,0,0]=3 504 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,0,0,0,0,0|3,0,0]=3 505 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,0,0,0,0,0|3,0,0]=3 506 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,0,0,0,0,0|3,0,0]=3 507 B8R0.1 COCC(C)OCCBr 34a_100000211926_100000765312 [0,0,0,0,0,0|3,0,1]=4 508 B8R0.1 COCC(C)OCCN 34a_100000210304_100000765312 [0,0,0,0,0,0|3,0,1]=4 509 B8R0.1 COCCC(=O)CC#N 1458a_100000749529_100011214920 [0,0,0,0,0,0|3,0,1]=4 510 B8R0.1 COCCC(=O)CC#N 1458a_100051588842_100000233755 [0,0,0,0,0,0|3,0,1]=4 511 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,0,0,0,0,0|3,0,0]=3 512 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,0,0,0,0,0|3,0,0]=3 513 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,0,0,0,0,0|3,0,0]=3 514 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,0,0,0,0,0|3,0,0]=3 515 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,0,0,0,0,0|3,0,0]=3 516 B8R0.1 COCO[C@H](C)COC 34a_100016172286_200000210301 [0,0,0,0,0,0|3,0,1]=4 517 B8R0.1 COCO[C@H](C)COC 7a_100016172286_200000210301 [0,0,0,0,0,0|3,0,1]=4 518 B8R0.1 COCO[C@H](C)CO[13CH3] 34a_100016172286_200025704644 [0,0,0,0,0,0|3,0,1]=4 519 B8R0.1 COCO[C@H](C)CO[13CH3] 7a_100016172286_200025704644 [0,0,0,0,0,0|3,0,1]=4 520 B8R0.1 COC[C@@H](C)OCCF 34a_100011934205_100011217306 [0,0,0,0,0,0|3,0,1]=4 521 B8R0.1 COC[C@@H](C)OCCO 34a_100011934205_100000211926 [0,0,0,0,0,0|3,0,1]=4 522 B8R0.1 COC[C@@H](C)OCSC 34a_100011934205_100011218213 [0,0,0,0,0,0|3,0,1]=4 523 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,0,0,0,0,0|3,0,1]=4 524 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,0,0,0,0,0|3,0,0]=3 525 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,0,0,0,0,0|3,0,0]=3 526 B8R0.1 CSCC(=O)NCC#N 1626a_100000734998_100000184570 [0,0,0,0,0,0|3,0,1]=4 527 B8R0.1 CSCC(=O)NCC#N 527a_100000734998_100000184570 [0,0,0,0,0,0|3,0,1]=4 528 B8R0.1 CSCC(=O)NCC#N 62a_100000736037_200000210301 [0,0,0,0,0,0|3,0,1]=4 529 B8R0.1 CSCC(=O)NCC#N 62a_200000210301_100000736037 [0,0,0,0,0,0|3,0,1]=4 530 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,0,0,0,0,0|3,0,0]=3 531 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,0,0,0,0,0|3,0,0]=3 532 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,0,0,0,0,0|3,0,0]=3 533 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,0,0,0,0,0|3,0,0]=3 534 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,0,0,0,0,0|3,0,0]=3 535 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,0,0,0,0,0|3,0,0]=3 536 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [0,0,0,0,0,0|3,0,1]=4 537 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [0,0,0,0,0,0|3,0,1]=4 538 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,0,0,0,0,0|3,0,0]=3 539 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,0,0,0,0,0|3,0,0]=3 540 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,0,0,0,0,0|3,0,0]=3 541 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,0,0,0,0,0|3,0,0]=3 542 B8R0.1 CSCOC(C)CCBr 34a_100012276601_100011218213 [0,0,0,0,0,0|3,0,1]=4 543 B8R0.1 N#CCC(=O)CCCF 1458a_100051588842_100011934791 [0,0,0,0,0,0|3,0,1]=4 544 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [0,0,0,0,0,0|3,0,1]=4 545 B8R0.1 N#CCC(=O)NCCF 1626a_100000724931_100051588842 [0,0,0,0,0,0|3,0,1]=4 546 B8R0.1 N#CCC(=O)NCCF 240690a_100000724931_100051588842 [0,0,0,0,0,0|3,0,1]=4 547 B8R0.1 N#CCC(=O)NCCO 240690a_100000210304_100051588842 [0,0,0,0,0,0|3,0,1]=4 548 B8R0.1 N#CCCC(=O)CCF 1458a_100011934036_100011217306 [0,0,0,0,0,0|3,0,1]=4 549 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,0,0,0,0,0|3,0,1]=4 550 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,0,0,0,0,0|3,0,1]=4 551 B8R0.1 O=C(C#CCO)CCF 1458a_100000049017_100011217306 [0,0,0,0,0,0|3,0,1]=4 552 B8R0.1 O=C(C#CCO)CCO 1458a_100000049017_100000211926 [0,0,0,0,0,0|3,0,1]=4 553 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,0,0,0,0,0|3,0,0]=3 554 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,0,0,0,0,0|3,0,0]=3 555 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,0,0,0,0,0|3,0,0]=3 556 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,0,0,0,0,0|3,0,0]=3 557 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,0,0,0,0,0|3,0,0]=3 558 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_100000736037_200025704644 [0,0,0,0,0,0|3,0,1]=4 559 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_200025704644_100000736037 [0,0,0,0,0,0|3,0,1]=4 560 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [1,0,0,0,0,0|0,0,3]=4 561 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [1,0,0,0,0,0|0,0,3]=4 562 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,0,0,0,0,0|0,0,3]=4 563 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,0,0,0,0,0|0,0,3]=4 564 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,0,0,0,0,0|0,0,3]=4 565 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|0,0,3]=4 566 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|0,0,3]=4 567 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,0,0,0,0|0,0,3]=4 568 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,0,0,0,0|0,0,3]=4 569 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|0,0,3]=4 570 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|0,0,3]=4 571 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|0,0,3]=4 572 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [1,0,0,0,0,0|0,0,3]=4 573 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [1,0,0,0,0,0|0,0,3]=4 574 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,0,0,0,0|2,0,1]=4 575 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,0,0,0,0|2,0,1]=4 576 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,0,0,0,0|2,0,1]=4 577 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,0,0,0,0|2,0,1]=4 578 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,0,0,0,0|2,0,1]=4 579 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,0,0,0,0|2,0,1]=4 580 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,0,0,0,0|2,0,1]=4 581 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,0,0,0,0|2,0,1]=4 582 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|2,0,1]=4 583 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|2,0,1]=4 584 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|2,0,1]=4 585 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|2,0,1]=4 586 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,0,0,0,0,0|2,0,1]=4 587 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,0,0,0,0,0|2,0,1]=4 588 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,0,0,0,0,0|2,0,1]=4 589 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,0,0,0,0,0|2,0,1]=4 590 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,0,0,0,0,0|2,0,1]=4 591 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|0,0,3]=4 592 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,0,0,0,0,0|2,0,0]=3 593 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,0,0,0,0,0|2,0,0]=3 594 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,0,0,0,0,0|2,0,0]=3 595 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,0,0,0,0,0|2,0,0]=3 596 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [1,0,0,0,0,0|2,0,1]=4 597 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [1,0,0,0,0,0|2,0,1]=4 598 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [1,0,0,0,0,0|2,0,1]=4 599 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [1,0,0,0,0,0|2,0,1]=4 600 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [1,0,0,0,0,0|2,0,1]=4 601 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [1,0,0,0,0,0|2,0,0]=3 602 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|2,0,1]=4 603 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|2,0,1]=4 604 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|2,0,1]=4 605 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|2,0,1]=4 606 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|2,0,1]=4 607 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|2,0,1]=4 608 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|2,0,1]=4 609 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|2,0,1]=4 610 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|2,0,1]=4 611 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|2,0,1]=4 612 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|2,0,1]=4 613 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|2,0,1]=4 614 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|2,0,1]=4 615 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|2,0,1]=4 616 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|2,0,1]=4 617 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|2,0,1]=4 618 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|2,0,1]=4 619 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|2,0,1]=4 620 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|2,0,1]=4 621 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|2,0,1]=4 622 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|2,0,1]=4 623 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,0,0,0,0|1,0,1]=3 624 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,0,0,0,0|1,0,1]=3 625 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,0,0,0,0,0|2,0,1]=4 626 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,0,0,0,0,0|2,0,1]=4 627 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,0,0,0,0,0|2,0,1]=4 628 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,0,0,0,0|2,0,1]=4 629 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,0,0,0,0|2,0,1]=4 630 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,0,0,0,0|2,0,1]=4 631 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,0,0,0,0|2,0,1]=4 632 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|2,0,1]=4 633 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|2,0,1]=4 634 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,0,0,0,0,0|1,0,2]=4 635 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,0,0,0,0|1,0,2]=4 636 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,0,0,0,0|1,0,2]=4 637 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,0,0,0,0,0|1,0,1]=3 638 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,0,0,0,0|0,0,1]=2 639 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,0,0,0,0|0,0,1]=2 640 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,0,0,0,0|0,0,1]=2 641 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,0,0,0,0,0|1,0,1]=3 642 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,0,0,0,0,0|1,0,1]=3 643 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,0,0,0,0,0|1,0,1]=3 644 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,0,0,0,0|1,0,1]=3 645 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,0,0,0,0|1,0,1]=3 646 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,0,0,0,0|1,0,1]=3 647 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,0,0,0,0|1,0,1]=3 648 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|1,0,1]=3 649 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|1,0,1]=3 650 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|1,0,1]=3 651 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|1,0,1]=3 652 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|1,0,1]=3 653 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|1,0,1]=3 654 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,0,0,0,0|0,1,1]=3 655 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,0,0,0,0|0,1,1]=3 656 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,0,0,0,0,0|1,1,1]=4 657 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,0,0,0,0,0|1,1,1]=4 658 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,0,0,0,0|1,1,1]=4 659 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,0,0,0,0|1,1,1]=4 660 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|1,1,1]=4 661 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|1,1,1]=4 662 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|1,1,1]=4 663 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|1,1,1]=4 664 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,0,0,0,0,0|2,0,1]=4 665 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,0,0,0,0,0|2,0,1]=4 666 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,0,0,0,0|2,0,1]=4 667 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|2,0,1]=4 668 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,0,0,0,0,0|1,0,1]=3 669 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,0,0,0,0,0|1,0,1]=3 670 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,0,0,0,0,0|1,0,1]=3 671 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,0,0,0,0,0|1,0,1]=3 672 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,0,0,0,0,0|1,0,1]=3 673 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,0,0,0,0|1,0,1]=3 674 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,0,0,0,0|1,0,1]=3 675 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,0,0,0,0|1,0,1]=3 676 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,0,0,0,0|1,0,1]=3 677 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,0,0,0,0|1,0,1]=3 678 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,0,0,0,0|1,0,1]=3 679 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,0,0,0,0|1,0,1]=3 680 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,0,0,0,0|1,0,1]=3 681 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,0,0,0,0|1,0,1]=3 682 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,0,0,0,0|1,0,1]=3 683 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,0,0,0,0|1,0,1]=3 684 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,0,0,0,0|1,0,1]=3 685 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,0,0,0,0|1,0,1]=3 686 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [1,0,0,0,0,0|2,0,1]=4 687 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,0,0,0,0|1,0,1]=3 688 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,0,0,0,0|1,0,1]=3 689 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|1,0,1]=3 690 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|1,0,1]=3 691 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|1,0,1]=3 692 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|1,0,1]=3 693 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|1,0,1]=3 694 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|1,0,1]=3 695 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|1,0,1]=3 696 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,0,0,0,0,0|1,1,1]=4 697 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,0,0,0,0,0|1,1,1]=4 698 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,0,0,0,0|1,1,1]=4 699 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,0,0,0,0|1,1,1]=4 700 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,0,0,0,0,0|1,1,1]=4 701 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,0,0,0,0,0|1,1,1]=4 702 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,0,0,0,0|1,1,1]=4 703 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,0,0,0,0|1,1,1]=4 704 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,0,0,0,0|1,1,1]=4 705 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,0,0,0,0|1,1,1]=4 706 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,0,0,0,0|1,1,1]=4 707 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,0,0,0,0|1,1,1]=4 708 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|1,1,1]=4 709 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|1,1,1]=4 710 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,0,0,0,0,0|1,1,1]=4 711 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,0,0,0,0,0|1,1,1]=4 712 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,0,0,0,0,0|2,0,1]=4 713 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,0,0,0,0,0|2,0,1]=4 714 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,0,0,0,0,0|2,0,1]=4 715 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,0,0,0,0,0|2,0,1]=4 716 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,0,0,0,0,0|2,0,1]=4 717 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,0,0,0,0,0|2,0,1]=4 718 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,0,0,0,0,0|2,0,1]=4 719 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,0,0,0,0,0|2,0,1]=4 720 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,0,0,0,0,0|2,0,1]=4 721 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,0,0,0,0,0|2,0,1]=4 722 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,0,0,0,0,0|2,0,1]=4 723 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,0,0,0,0,0|2,0,1]=4 724 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,0,0,0,0,0|2,0,1]=4 725 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,0,0,0,0,0|2,0,1]=4 726 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,0,0,0,0,0|2,0,1]=4 727 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,0,0,0,0,0|2,0,1]=4 728 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,0,0,0,0,0|2,0,1]=4 729 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,0,0,0,0,0|2,0,1]=4 730 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,0,0,0,0,0|2,0,1]=4 731 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,0,0,0,0,0|2,0,1]=4 732 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,0,0,0,0,0|2,0,1]=4 733 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,0,0,0,0,0|2,0,1]=4 734 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,0,0,0,0,0|2,0,1]=4 735 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,0,0,0,0,0|2,0,1]=4 736 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,0,0,0,0,0|2,0,1]=4 737 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [1,0,0,0,0,0|2,0,1]=4 738 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [1,0,0,0,0,0|2,0,1]=4 739 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [1,0,0,0,0,0|2,0,1]=4 740 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,0,0,0,0,0|2,0,1]=4 741 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,0,0,0,0,0|2,0,1]=4 742 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,0,0,0,0,0|2,0,1]=4 743 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,0,0,0,0,0|2,0,1]=4 744 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,0,0,0,0,0|2,0,1]=4 745 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [1,0,0,0,0,0|2,0,1]=4 746 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [1,0,0,0,0,0|2,0,1]=4 747 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [1,0,0,0,0,0|2,0,1]=4 748 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [1,0,0,0,0,0|2,0,1]=4 749 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [1,0,0,0,0,0|2,0,1]=4 750 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [1,0,0,0,0,0|2,0,1]=4 751 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [1,0,0,0,0,0|2,0,1]=4 752 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [1,0,0,0,0,0|2,0,1]=4 753 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [1,0,0,0,0,0|2,0,1]=4 754 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [1,0,0,0,0,0|2,0,1]=4 755 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,0,0,0,0,0|2,0,1]=4 756 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [1,0,0,0,0,0|2,0,1]=4 757 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,0,0,0,0,0|2,0,1]=4 758 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,0,0,0,0,0|2,0,1]=4 759 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,0,0,0,0,0|2,0,1]=4 760 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,0,0,0,0,0|2,0,1]=4 761 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,0,0,0,0,0|2,0,1]=4 762 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,0,0,0,0,0|2,0,1]=4 763 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,0,0,0,0,0|2,0,1]=4 764 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,0,0,0,0,0|2,0,1]=4 765 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,0,0,0,0,0|2,0,1]=4 766 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,0,0,0,0,0|2,0,1]=4 767 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,0,0,0,0,0|2,0,1]=4 768 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,0,0,0,0,0|2,0,1]=4 769 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,0,0,0,0,0|2,0,1]=4 770 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,0,0,0,0,0|2,0,1]=4 771 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,0,0,0,0,0|2,0,1]=4 772 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,0,0,0,0,0|2,0,1]=4 773 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,0,0,0,0,0|2,0,1]=4 774 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,0,0,0,0,0|2,0,1]=4 775 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,0,0,0,0|1,0,2]=4 776 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,0,0,0,0,0|1,0,2]=4 777 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,0,0,0,0,0|1,0,2]=4 778 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 779 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 780 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 781 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 782 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,0,0,0,0|1,0,2]=4 783 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|1,0,2]=4 784 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,0,0,0,0|1,0,2]=4 785 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,0,0,0,0|1,0,2]=4 786 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,0,0,0,0|1,0,2]=4 787 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,0,0,0,0|1,0,2]=4 788 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,0,0,0,0,0|1,0,2]=4 789 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,0,0,0,0,0|1,0,2]=4 790 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,0,0,0,0,0|1,0,2]=4 791 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,0,0,0,0,0|1,0,2]=4 792 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,0,0,0,0|1,0,2]=4 793 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,0,0,0,0|1,0,2]=4 794 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,0,0,0,0,0|2,0,1]=4 795 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,0,0,0,0|1,0,1]=3 796 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [1,0,0,0,0,0|2,0,1]=4 797 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [1,0,0,0,0,0|2,0,1]=4 798 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,0,0,0,0|2,0,1]=4 799 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,0,0,0,0,0|2,0,1]=4 800 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,0,0,0,0,0|2,0,1]=4 801 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|2,0,0]=3 802 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|2,0,0]=3 803 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|2,0,0]=3 804 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|2,0,0]=3 805 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|2,0,0]=3 806 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|2,0,0]=3 807 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,0,0,0,0,0|3,0,0]=4 808 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,0,0,0,0,0|3,0,0]=4 809 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,0,0,0,0,0|3,0,0]=4 810 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [1,0,0,0,0,0|2,0,1]=4 811 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [1,0,0,0,0,0|2,0,1]=4 812 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,0,0,0,0|2,0,0]=3 813 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,0,0,0,0|2,0,0]=3 814 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,0,0,0,0|2,0,0]=3 815 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,0,0,0,0|2,0,0]=3 816 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,0,0,0,0|2,0,0]=3 817 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,0,0,0,0|2,0,0]=3 818 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [1,0,0,0,0,0|2,0,1]=4 819 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [1,0,0,0,0,0|2,0,1]=4 820 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [1,0,0,0,0,0|2,0,1]=4 821 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,0,0,0,0,0|2,0,1]=4 822 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,0,0,0,0|1,0,1]=3 823 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,0,0,0,0,0|2,0,1]=4 824 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,0,0,0,0|2,0,1]=4 825 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,0,0,0,0|2,0,1]=4 826 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,0,0,0,0|2,0,1]=4 827 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|1,0,0]=2 828 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|1,0,0]=2 829 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|2,0,0]=3 830 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|2,0,0]=3 831 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|2,0,0]=3 832 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|2,0,0]=3 833 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|2,0,0]=3 834 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|2,0,0]=3 835 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,0,0,0,0,0|3,0,0]=4 836 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,0,0,0,0,0|3,0,0]=4 837 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,0,0,0,0,0|3,0,0]=4 838 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,0,0,0,0,0|3,0,0]=4 839 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,0,0,0,0,0|3,0,0]=4 840 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,0,0,0,0,0|3,0,0]=4 841 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,0,0,0,0,0|3,0,0]=4 842 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,0,0,0,0,0|3,0,0]=4 843 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 844 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 845 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 846 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 847 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,0,0,0,0|2,0,0]=3 848 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,0,0,0,0|2,0,0]=3 849 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,0,0,0,0,0|2,0,0]=3 850 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 851 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 852 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 853 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 854 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,0,0,0,0,0|2,0,0]=3 855 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,0,0,0,0,0|2,0,1]=4 856 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,0,0,0,0,0|1,0,1]=3 857 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,0,0,0,0,0|1,0,1]=3 858 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [1,0,0,0,0,0|2,0,1]=4 859 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [1,0,0,0,0,0|2,0,1]=4 860 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [1,0,0,0,0,0|2,0,1]=4 861 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,0,0,0,0,0|2,0,1]=4 862 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,0,0,0,0,0|1,1,1]=4 863 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,0,0,0,0,0|1,1,1]=4 864 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,0,0,0,0,0|3,0,0]=4 865 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,0,0,0,0,0|3,0,0]=4 866 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,0,0,0,0|3,0,0]=4 867 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,0,0,0,0|2,0,0]=3 868 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [1,0,0,0,0,0|3,0,0]=4 869 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,0,0,0,0,0|3,0,0]=4 870 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,0,0,0,0,0|3,0,0]=4 871 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,0,0,0,0,0|3,0,0]=4 872 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|2,0,0]=3 873 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|2,0,0]=3 874 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,0,0,0,0,0|3,0,0]=4 875 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,0,0,0,0,0|3,0,0]=4 876 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,0,0,0,0,0|3,0,0]=4 877 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,0,0,0,0,0|3,0,0]=4 878 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,0,0,0,0,0|3,0,0]=4 879 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,0,0,0,0,0|3,0,0]=4 880 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,0,0,0,0,0|3,0,0]=4 881 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,0,0,0,0|3,0,0]=4 882 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,0,0,0,0|2,0,0]=3 883 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,0,0,0,0|2,0,0]=3 884 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,0,0,0,0|2,0,0]=3 885 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,0,0,0,0,0|3,0,0]=4 886 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,0,0,0,0,0|3,0,0]=4 887 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,0,0,0,0,0|3,0,0]=4 888 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,0,0,0,0,0|3,0,0]=4 889 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,0,0,0,0,0|3,0,0]=4 890 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,0,0,0,0,0|3,0,0]=4 891 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,0,0,0,0,0|3,0,0]=4 892 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,0,0,0,0|3,0,0]=4 893 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,0,0,0,0|3,0,0]=4 894 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,0,0,0,0,0|3,0,0]=4 895 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,0,0,0,0,0|3,0,0]=4 896 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,0,0,0,0|3,0,0]=4 897 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,0,0,0,0|3,0,0]=4 898 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,0,0,0,0|3,0,0]=4 899 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,0,0,0,0|3,0,0]=4 900 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,0,0,0,0|3,0,0]=4 901 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,0,0,0,0|3,0,0]=4 902 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,0,0,0,0|3,0,0]=4 903 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,0,0,0,0|3,0,0]=4 904 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,0,0,0,0|3,0,0]=4 905 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,0,0,0,0|3,0,0]=4 906 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,0,0,0,0|3,0,0]=4 907 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,0,0,0,0|3,0,0]=4 908 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,0,0,0,0|3,0,0]=4 909 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,0,0,0,0|3,0,0]=4 910 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,0,0,0,0|3,0,0]=4 911 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 912 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,0,0,0,0,0|3,0,0]=4 913 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 914 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,0,0,0,0,0|3,0,0]=4 915 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,0,0,0,0,0|3,0,0]=4 916 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,0,0,0,0,0|3,0,0]=4 917 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,0,0,0,0,0|3,0,0]=4 918 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,0,0,0,0,0|3,0,0]=4 919 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,0,0,0,0,0|3,0,0]=4 920 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,0,0,0,0,0|3,0,0]=4 921 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,0,0,0,0,0|3,0,0]=4 922 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,0,0,0,0,0|3,0,0]=4 923 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,0,0,0,0,0|3,0,0]=4 924 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,0,0,0,0|3,0,0]=4 925 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,0,0,0,0|3,0,0]=4 926 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,0,0,0,0|3,0,0]=4 927 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,0,0,0,0|3,0,0]=4 928 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,0,0,0,0|3,0,0]=4 929 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,0,0,0,0|3,0,0]=4 930 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,0,0,0,0|3,0,0]=4 931 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,0,0,0,0,0|2,0,0]=3 932 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,0,0,0,0,0|2,0,0]=3 933 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,0,0,0,0,0|3,0,0]=4 934 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,0,0,0,0|3,0,0]=4 935 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,0,0,0,0|3,0,0]=4 936 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,0,0,0,0,0|3,0,0]=4 937 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|3,0,0]=4 938 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,0,0,0,0|3,0,0]=4 939 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,0,0,0,0|3,0,0]=4 940 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [1,0,0,0,0,0|3,0,0]=4 941 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [1,0,0,0,0,0|3,0,0]=4 942 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,0,0,0,0,0|3,0,0]=4 943 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,0,0,0,0,0|3,0,0]=4 944 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [1,0,0,0,0,0|0,0,2]=3 945 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [1,0,0,0,0,0|0,0,2]=3 946 B7R0.7 C#CCC(=O)CCF 1458a_100011220946_100011217306 [1,0,0,0,0,0|1,0,2]=4 947 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [1,0,0,0,0,0|1,0,2]=4 948 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [1,0,0,0,0,0|1,0,2]=4 949 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [1,0,0,0,0,0|1,0,2]=4 950 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [1,0,0,0,0,0|1,0,2]=4 951 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [1,0,0,0,0,0|1,0,2]=4 952 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,0,0,0,0,0|0,0,2]=3 953 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,0,0,0,0,0|0,0,2]=3 954 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [1,0,0,0,0,0|1,0,2]=4 955 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [1,0,0,0,0,0|1,0,2]=4 956 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [1,0,0,0,0,0|1,0,2]=4 957 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [1,0,0,0,0,0|1,0,2]=4 958 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [1,0,0,0,0,0|1,0,2]=4 959 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 960 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 961 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 962 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,0,0,0,0,0|1,0,2]=4 963 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,0,0,0,0,0|1,0,2]=4 964 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,0,0,0,0,0|1,0,2]=4 965 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,0,0,0,0,0|1,0,2]=4 966 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,0,0,0,0,0|1,0,2]=4 967 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,0,0,0,0,0|1,0,2]=4 968 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,0,0,0,0,0|1,0,2]=4 969 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,0,0,0,0,0|0,0,2]=3 970 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [1,0,0,0,0,0|1,0,2]=4 971 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [1,0,0,0,0,0|1,0,2]=4 972 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,0,0,0,0,0|0,0,2]=3 973 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,0,0,0,0,0|1,0,2]=4 974 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,0,0,0,0,0|1,0,2]=4 975 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,0,0,0,0,0|1,0,2]=4 976 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,0,0,0,0,0|1,0,2]=4 977 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,0,0,0,0,0|1,0,2]=4 978 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,0,0,0,0,0|1,0,2]=4 979 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,0,0,0,0,0|1,0,2]=4 980 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [1,0,0,0,0,0|1,0,1]=3 981 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [1,0,0,0,0,0|1,0,1]=3 982 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,0,0,0,0,0|0,0,0]=1 983 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,0,0,0,0,0|1,0,0]=2 984 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,0,0,0,0,0|1,0,0]=2 985 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,0,0,0,0,0|1,0,0]=2 986 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,0,0,0,0,0|1,0,0]=2 987 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,0,0,0,0,0|1,0,0]=2 988 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,0,0,0,0,0|1,0,0]=2 989 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,0,0,0,0,0|1,0,0]=2 990 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,0,0,0,0,0|1,0,0]=2 991 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,0,0,0,0,0|1,0,0]=2 992 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,0,0,0,0,0|1,0,0]=2 993 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,0,0,0,0,0|1,0,0]=2 994 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,0,0,0,0,0|1,0,0]=2 995 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,0,0,0,0,0|1,0,0]=2 996 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,0,0,0,0,0|1,0,0]=2 997 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,0,0,0,0,0|2,0,0]=3 998 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [1,0,0,0,0,0|2,0,1]=4 999 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [1,0,0,0,0,0|2,0,1]=4 1000 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [1,0,0,0,0,0|2,0,1]=4 1001 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [1,0,0,0,0,0|2,0,1]=4 1002 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [1,0,0,0,0,0|2,0,1]=4 1003 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [1,0,0,0,0,0|2,0,1]=4 1004 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [1,0,0,0,0,0|2,0,1]=4 1005 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [1,0,0,0,0,0|2,0,1]=4 1006 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [1,0,0,0,0,0|2,0,1]=4 1007 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [1,0,0,0,0,0|2,0,1]=4 1008 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [1,0,0,0,0,0|2,0,1]=4 1009 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [1,0,0,0,0,0|2,0,1]=4 1010 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [1,0,0,0,0,0|2,0,1]=4 1011 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,0,0,0,0,0|2,0,1]=4 1012 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,0,0,0,0,0|2,0,1]=4 1013 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,0,0,0,0,0|2,0,1]=4 1014 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,0,0,0,0,0|1,0,1]=3 1015 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,0,0,0,0,0|1,0,1]=3 1016 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,0,0,0,0,0|1,0,1]=3 1017 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [1,0,0,0,0,0|2,0,1]=4 1018 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [1,0,0,0,0,0|2,0,1]=4 1019 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,0,0,0,0,0|1,1,1]=4 1020 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,0,0,0,0,0|1,1,1]=4 1021 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [1,0,0,0,0,0|2,0,0]=3 1022 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [1,0,0,0,0,0|2,0,0]=3 1023 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [1,0,0,0,0,0|2,0,0]=3 1024 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [1,0,0,0,0,0|2,0,0]=3 1025 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [1,0,0,0,0,0|3,0,0]=4 1026 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [1,0,0,0,0,0|3,0,0]=4 1027 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [1,0,0,0,0,0|3,0,0]=4 1028 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [1,0,0,0,0,0|3,0,0]=4 1029 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [1,0,0,0,0,0|3,0,0]=4 1030 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [1,0,0,0,0,0|3,0,0]=4 1031 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [1,0,0,0,0,0|3,0,0]=4 1032 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [1,0,0,0,0,0|3,0,0]=4 1033 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [1,0,0,0,0,0|3,0,0]=4 1034 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [1,0,0,0,0,0|3,0,0]=4 1035 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [1,0,0,0,0,0|3,0,0]=4 1036 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [1,0,0,0,0,0|3,0,0]=4 1037 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [1,0,0,0,0,0|2,0,0]=3 1038 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [1,0,0,0,0,0|2,0,0]=3 1039 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [1,0,0,0,0,0|3,0,0]=4 1040 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [1,0,0,0,0,0|3,0,0]=4 1041 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [1,0,0,0,0,0|2,0,1]=4 1042 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [1,0,0,0,0,0|2,0,1]=4 1043 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [1,0,0,0,0,0|2,0,1]=4 1044 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,0,0,0,0,0|2,0,0]=3 1045 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,0,0,0,0,0|2,0,0]=3 1046 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,0,0,0,0,0|2,0,0]=3 1047 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,0,0,0,0,0|2,0,0]=3 1048 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,0,0,0,0,0|2,0,0]=3 1049 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,0,0,0,0,0|2,0,0]=3 1050 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,0,0,0,0,0|2,0,0]=3 1051 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,0,0,0,0,0|2,0,0]=3 1052 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,0,0,0,0,0|2,0,0]=3 1053 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,0,0,0,0,0|2,0,0]=3 1054 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,0,0,0,0,0|2,0,0]=3 1055 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,0,0,0,0,0|2,0,0]=3 1056 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,0,0,0,0,0|2,0,0]=3 1057 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,0,0,0,0,0|2,0,0]=3 1058 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,0,0,0,0,0|2,0,0]=3 1059 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,0,0,0,0,0|2,0,0]=3 1060 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,0,0,0,0,0|2,0,0]=3 1061 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,0,0,0,0,0|2,0,0]=3 1062 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,0,0,0,0,0|2,0,0]=3 1063 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,0,0,0,0,0|2,0,0]=3 1064 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [1,0,0,0,0,0|3,0,0]=4 1065 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [1,0,0,0,0,0|3,0,0]=4 1066 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [1,0,0,0,0,0|3,0,0]=4 1067 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,0,0,0,0,0|1,0,0]=2 1068 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,0,0,0,0,0|1,0,0]=2 1069 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,0,0,0,0,0|1,0,0]=2 1070 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,0,0,0,0,0|1,0,0]=2 1071 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,0,0,0,0,0|1,0,0]=2 1072 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,0,0,0,0,0|1,0,0]=2 1073 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,0,0,0,0,0|1,0,0]=2 1074 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,0,0,0,0,0|1,0,0]=2 1075 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [1,0,0,0,0,0|2,0,1]=4 1076 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,0,0,0,0,0|2,0,1]=4 1077 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [1,0,0,0,0,0|2,0,1]=4 1078 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [1,0,0,0,0,0|2,0,1]=4 1079 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [1,0,0,0,0,0|3,0,0]=4 1080 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [1,0,0,0,0,0|3,0,0]=4 1081 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [1,0,0,0,0,0|3,0,0]=4 1082 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [1,0,0,0,0,0|3,0,0]=4 1083 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [1,0,0,0,0,0|3,0,0]=4 1084 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [1,0,0,0,0,0|3,0,0]=4 1085 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [1,0,0,0,0,0|2,0,1]=4 1086 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [1,0,0,0,0,0|2,0,0]=3 1087 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,0,0,0,0,0|2,0,0]=3 1088 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [1,0,0,0,0,0|3,0,0]=4 1089 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [1,0,0,0,0,0|2,0,1]=4 1090 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,0,0,0,0,0|2,0,0]=3 1091 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,0,0,0,0,0|2,0,0]=3 1092 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [1,0,0,0,0,0|3,0,0]=4 1093 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [1,0,0,0,0,0|3,0,0]=4 1094 B7R0.7 N#CCC(=O)CCF 1458a_100051588842_100011217306 [1,0,0,0,0,0|2,0,1]=4 1095 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [1,0,0,0,0,0|2,0,1]=4 1096 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [1,0,0,0,0,0|2,0,1]=4 1097 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,0,0,0,0,0|2,0,0]=3 1098 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,0,0,0,0,0|2,0,0]=3 1099 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [1,0,0,0,0,0|3,0,0]=4 1100 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [1,0,0,0,0,0|3,0,0]=4 1101 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000210554_100000753159 [0,1,0,0,0,0|1,0,2]=4 1102 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000692101_100000210624 [0,1,0,0,0,0|1,0,2]=4 1103 B9R0.4 C#CCCC(=O)CC(C)O 1458a_100000692101_100011218427 [0,1,0,0,0,0|1,0,2]=4 1104 B9R0.4 C#CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000753159 [0,1,0,0,0,0|1,0,2]=4 1105 B9R0.4 C#CCNC(=O)CC(C)C 11a_100000212058_100000210554 [0,1,0,0,0,0|1,0,2]=4 1106 B9R0.4 C#CCNC(=O)CC(C)C 1626a_100000212058_100000210554 [0,1,0,0,0,0|1,0,2]=4 1107 B9R0.4 C#CCNC(=O)CC(C)C 240690a_100000212058_100000210554 [0,1,0,0,0,0|1,0,2]=4 1108 B9R0.4 C#CCNC(=O)CC(C)C 527a_100000212058_100000210554 [0,1,0,0,0,0|1,0,2]=4 1109 B9R0.4 C#CCNC(=O)C[C@@H](C)O 240690a_100000212058_100011933948 [0,1,0,0,0,0|1,0,2]=4 1110 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [0,1,0,0,0,0|1,0,2]=4 1111 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [0,1,0,0,0,0|1,0,2]=4 1112 B9R0.4 C=C(C)CC(=O)C#CCC 1458a_100011827653_100000748629 [0,1,0,0,0,0|1,0,2]=4 1113 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [0,1,0,0,0,0|1,0,2]=4 1114 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,1,0,0,0,0|1,0,1]=3 1115 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,1,0,0,0,0|2,0,1]=4 1116 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,1,0,0,0,0|2,0,1]=4 1117 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,1,0,0,0,0|2,0,1]=4 1118 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,1,0,0,0,0|2,0,1]=4 1119 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [0,1,0,0,0,0|2,0,1]=4 1120 B9R0.4 C=C(CN(C)C)OCOC 269982a_100102631434_100000042856 [0,1,0,0,0,0|3,0,0]=4 1121 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,1,0,0,0,0|1,0,2]=4 1122 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [0,1,0,0,0,0|1,0,2]=4 1123 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [0,1,0,0,0,0|1,0,2]=4 1124 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [0,1,0,0,0,0|1,0,2]=4 1125 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [0,1,0,0,0,0|1,0,2]=4 1126 B9R0.4 C=CCNC(=O)CC(C)C 1626a_100020586998_100000210554 [0,1,0,0,0,0|1,0,2]=4 1127 B9R0.4 C=CCNC(=O)CC(C)C 240690a_100020586998_100000210554 [0,1,0,0,0,0|1,0,2]=4 1128 B9R0.4 C=CCNC(=O)CC(C)C 527a_100020586998_100000210554 [0,1,0,0,0,0|1,0,2]=4 1129 B9R0.4 C=CCNC(=O)C[C@@H](C)O 240690a_100020586998_100011933948 [0,1,0,0,0,0|1,0,2]=4 1130 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [0,1,0,0,0,0|0,0,3]=4 1131 B9R0.4 C=CCOC(=O)CN(C)C 2230a_100102631434_100000033060 [0,1,0,0,0,0|1,0,2]=4 1132 B9R0.4 C=CCOC(=O)CN(C)C 269982a_100102631434_100000033060 [0,1,0,0,0,0|1,0,2]=4 1133 B9R0.4 CC#CCC(=O)CC(C)C 1458a_100000210554_100000748600 [0,1,0,0,0,0|1,0,2]=4 1134 B9R0.4 CC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000748600 [0,1,0,0,0,0|1,0,2]=4 1135 B9R0.4 CC(C)CC(=O)C#CCO 1458a_100000049017_100000210624 [0,1,0,0,0,0|2,0,1]=4 1136 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100000210554_100011215226 [0,1,0,0,0,0|2,0,1]=4 1137 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100011934036_100000210624 [0,1,0,0,0,0|2,0,1]=4 1138 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,1,0,0,0,0|2,0,0]=3 1139 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,1,0,0,0,0|2,0,0]=3 1140 B9R0.4 CC(C)CC(=O)NCC#N 1626a_100000734998_100000210554 [0,1,0,0,0,0|2,0,1]=4 1141 B9R0.4 CC(C)CC(=O)NCC#N 527a_100000734998_100000210554 [0,1,0,0,0,0|2,0,1]=4 1142 B9R0.4 CC(C)CC(=O)NCCF 11a_100000724931_100000210554 [0,1,0,0,0,0|2,0,0]=3 1143 B9R0.4 CC(C)CC(=O)NCCF 1626a_100000724931_100000210554 [0,1,0,0,0,0|2,0,0]=3 1144 B9R0.4 CC(C)CC(=O)NCCF 240690a_100000724931_100000210554 [0,1,0,0,0,0|2,0,0]=3 1145 B9R0.4 CC(C)CC(=O)NCCF 527a_100000724931_100000210554 [0,1,0,0,0,0|2,0,0]=3 1146 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [0,1,0,0,0,0|2,0,0]=3 1147 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [0,1,0,0,0,0|2,0,0]=3 1148 B9R0.4 CC(C)CC(C)OCCBr 34a_100000211926_100000731052 [0,1,0,0,0,0|2,0,1]=4 1149 B9R0.4 CC(C)CC(C)OCCF 34a_100000211805_100011217306 [0,1,0,0,0,0|2,0,1]=4 1150 B9R0.4 CC(C)CC(C)OCCF 7a_100000211805_100011217306 [0,1,0,0,0,0|2,0,1]=4 1151 B9R0.4 CC(C)CC(C)OCCN 34a_100000210304_100000731052 [0,1,0,0,0,0|2,0,1]=4 1152 B9R0.4 CC(C)CC(C)OCCO 34a_100000211805_100000211926 [0,1,0,0,0,0|2,0,1]=4 1153 B9R0.4 CC(C)CC(C)OCCO 7a_100000211805_100000211926 [0,1,0,0,0,0|2,0,1]=4 1154 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,1,0,0,0,0|3,0,0]=4 1155 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,1,0,0,0,0|3,0,0]=4 1156 B9R0.4 CC(C)NC(=O)NCCF 2708a_100138425928_100000724931 [0,1,0,0,0,0|3,0,0]=4 1157 B9R0.4 CC(C)NC(=O)NCCF 273464a_100138425928_100000724931 [0,1,0,0,0,0|3,0,0]=4 1158 B9R0.4 CC(C)NC(=O)NCCF 512a_100138425928_100000724931 [0,1,0,0,0,0|3,0,0]=4 1159 B9R0.4 CC(C)NC(=O)NCCO 2708a_100138425928_100000210304 [0,1,0,0,0,0|3,0,0]=4 1160 B9R0.4 CC(C)NC(=O)NCCO 273464a_100138425928_100000210304 [0,1,0,0,0,0|3,0,0]=4 1161 B9R0.4 CC(C)NC(=O)NCCO 512a_100138425928_100000210304 [0,1,0,0,0,0|3,0,0]=4 1162 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,1,0,0,0,0|3,0,0]=4 1163 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,1,0,0,0,0|3,0,0]=4 1164 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,1,0,0,0,0|2,0,0]=3 1165 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,1,0,0,0,0|2,0,0]=3 1166 B9R0.4 CC(O)CC(=O)C#CCO 1458a_100000049017_100011218427 [0,1,0,0,0,0|2,0,1]=4 1167 B9R0.4 CC(O)CC(=O)CCC#N 1458a_100011934036_100011218427 [0,1,0,0,0,0|2,0,1]=4 1168 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [0,1,0,0,0,0|1,0,2]=4 1169 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [0,1,0,0,0,0|1,0,2]=4 1170 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [0,1,0,0,0,0|1,0,2]=4 1171 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [0,1,0,0,0,0|1,0,2]=4 1172 B9R0.4 CC=NNC(=O)CC(C)C 4a_100000189787_200000210099 [0,1,0,0,0,0|2,0,1]=4 1173 B9R0.4 CCC#CC(=O)CC(C)C 1458a_100011827653_100000210624 [0,1,0,0,0,0|1,0,1]=3 1174 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [0,1,0,0,0,0|1,0,1]=3 1175 B9R0.4 CCC#CC(=O)CC(F)F 1458a_100011827653_100011934356 [0,1,0,0,0,0|2,0,1]=4 1176 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [0,1,0,0,0,0|1,0,1]=3 1177 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,1,0,0,0,0|1,0,1]=3 1178 B9R0.4 CCC=CC(=O)CC(F)F 1458a_100000212282_100011934356 [0,1,0,0,0,0|2,0,1]=4 1179 B9R0.4 CCC=CC(=O)NC(C)C 11a_100138425928_100000212282 [0,1,0,0,0,0|2,0,1]=4 1180 B9R0.4 CCC=CC(=O)NC(C)C 1626a_100138425928_100000212282 [0,1,0,0,0,0|2,0,1]=4 1181 B9R0.4 CCC=CC(=O)NC(C)C 240690a_100138425928_100000212282 [0,1,0,0,0,0|2,0,1]=4 1182 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,1,0,0,0,0|1,0,2]=4 1183 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,1,0,0,0,0|1,0,2]=4 1184 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,1,0,0,0,0|1,0,2]=4 1185 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,1,0,0,0,0|2,0,1]=4 1186 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,1,0,0,0,0|2,0,1]=4 1187 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,1,0,0,0,0|2,0,1]=4 1188 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,1,0,0,0,0|1,0,0]=2 1189 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,1,0,0,0,0|1,0,0]=2 1190 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,1,0,0,0,0|1,0,0]=2 1191 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [0,1,0,0,0,0|2,0,0]=3 1192 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,1,0,0,0,0|2,0,0]=3 1193 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,1,0,0,0,0|1,0,0]=2 1194 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [0,1,0,0,0,0|3,0,0]=4 1195 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,1,0,0,0,0|2,0,0]=3 1196 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,1,0,0,0,0|2,0,0]=3 1197 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,1,0,0,0,0|2,0,0]=3 1198 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,1,0,0,0,0|2,0,0]=3 1199 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,1,0,0,0,0|2,0,0]=3 1200 B9R0.4 CCCCN(C)CC(C)C 2230a_100000207549_100000210760 [0,1,0,0,0,0|3,0,0]=4 1201 B9R0.4 CCCCN(C)CC(C)C 2230a_100000747067_100000210211 [0,1,0,0,0,0|3,0,0]=4 1202 B9R0.4 CCCCN(C)CC(C)C 269982a_100000207549_100000210624 [0,1,0,0,0,0|3,0,0]=4 1203 B9R0.4 CCCCN(C)CC(C)C 269982a_100000747067_100000210211 [0,1,0,0,0,0|3,0,0]=4 1204 B9R0.4 CCCCN(C)CC(C)C 270004a_100000207549_100000210432 [0,1,0,0,0,0|3,0,0]=4 1205 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [0,1,0,0,0,0|3,0,0]=4 1206 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [0,1,0,0,0,0|3,0,0]=4 1207 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [0,1,0,0,0,0|3,0,0]=4 1208 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [0,1,0,0,0,0|3,0,0]=4 1209 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [0,1,0,0,0,0|3,0,0]=4 1210 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [0,1,0,0,0,0|3,0,0]=4 1211 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [0,1,0,0,0,0|1,0,2]=4 1212 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [0,1,0,0,0,0|1,0,2]=4 1213 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [0,1,0,0,0,0|1,0,2]=4 1214 B9R0.4 CCCNC(=O)C=C(C)Cl 11a_100020643023_200042562850 [0,1,0,0,0,0|1,0,2]=4 1215 B9R0.4 CCCNC(=O)C=C(C)Cl 1626a_100020643023_200042562850 [0,1,0,0,0,0|1,0,2]=4 1216 B9R0.4 CCCNC(=O)C=C(C)Cl 240690a_100020643023_200042562850 [0,1,0,0,0,0|1,0,2]=4 1217 B9R0.4 CCCNC(=O)C=C(C)I 11a_100020643023_100025716642 [0,1,0,0,0,0|1,0,2]=4 1218 B9R0.4 CCCNC(=O)C=C(C)I 1626a_100020643023_100025716642 [0,1,0,0,0,0|1,0,2]=4 1219 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,1,0,0,0,0|1,0,1]=3 1220 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,1,0,0,0,0|2,0,1]=4 1221 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,1,0,0,0,0|2,0,1]=4 1222 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,1,0,0,0,0|1,0,0]=2 1223 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,1,0,0,0,0|1,0,0]=2 1224 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,1,0,0,0,0|1,0,0]=2 1225 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,1,0,0,0,0|1,0,0]=2 1226 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [0,1,0,0,0,0|2,0,0]=3 1227 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [0,1,0,0,0,0|2,0,0]=3 1228 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [0,1,0,0,0,0|2,0,0]=3 1229 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [0,1,0,0,0,0|2,0,0]=3 1230 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [0,1,0,0,0,0|2,0,0]=3 1231 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [0,1,0,0,0,0|2,0,0]=3 1232 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [0,1,0,0,0,0|2,0,0]=3 1233 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [0,1,0,0,0,0|2,0,0]=3 1234 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [0,1,0,0,0,0|2,0,0]=3 1235 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,1,0,0,0,0|1,0,0]=2 1236 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [0,1,0,0,0,0|2,0,0]=3 1237 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [0,1,0,0,0,0|2,0,0]=3 1238 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [0,1,0,0,0,0|2,0,0]=3 1239 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [0,1,0,0,0,0|2,0,0]=3 1240 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [0,1,0,0,0,0|2,0,0]=3 1241 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [0,1,0,0,0,0|2,0,0]=3 1242 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [0,1,0,0,0,0|2,0,0]=3 1243 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [0,1,0,0,0,0|2,0,0]=3 1244 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [0,1,0,0,0,0|2,0,0]=3 1245 B9R0.4 CCCNC(C)CC(C)C 2230a_100000692259_100000210303 [0,1,0,0,0,0|2,0,1]=4 1246 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,1,0,0,0,0|0,0,1]=2 1247 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,1,0,0,0,0|1,0,0]=2 1248 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,1,0,0,0,0|1,0,0]=2 1249 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [0,1,0,0,0,0|1,0,1]=3 1250 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [0,1,0,0,0,0|1,0,1]=3 1251 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [0,1,0,0,0,0|1,0,1]=3 1252 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [0,1,0,0,0,0|1,1,1]=4 1253 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [0,1,0,0,0,0|1,1,1]=4 1254 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [0,1,0,0,0,0|3,0,0]=4 1255 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [0,1,0,0,0,0|3,0,0]=4 1256 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,1,0,0,0,0|3,0,0]=4 1257 B9R0.4 CCNNC(=O)CC(C)C 22a_100000756455_100000210554 [0,1,0,0,0,0|2,0,0]=3 1258 B9R0.4 CCNNC(=O)CN(C)C 22a_100000756455_100000750896 [0,1,0,0,0,0|3,0,0]=4 1259 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [0,1,0,0,0,0|2,0,0]=3 1260 B9R0.4 CCNNC(=O)C[S+](C)C 22a_100000756455_200159257847 [0,1,0,0,0,0|3,0,0]=4 1261 B9R0.4 CCNNC(=O)NC(C)C 273464a_100138425928_100000756455 [0,1,0,0,0,0|3,0,0]=4 1262 B9R0.4 CCNNC(=O)NC(C)C 512a_100000756455_100138425928 [0,1,0,0,0,0|3,0,0]=4 1263 B9R0.4 CCNNC(=O)NC(C)C 512a_100138425928_100000756455 [0,1,0,0,0,0|3,0,0]=4 1264 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,1,0,0,0,0|2,0,0]=3 1265 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,1,0,0,0,0|2,0,0]=3 1266 B9R0.4 CCOCC(=O)CC(F)F 1458a_100000211967_100011934356 [0,1,0,0,0,0|3,0,0]=4 1267 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,1,0,0,0,0|3,0,0]=4 1268 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,1,0,0,0,0|3,0,0]=4 1269 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,1,0,0,0,0|3,0,0]=4 1270 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,1,0,0,0,0|3,0,0]=4 1271 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,1,0,0,0,0|3,0,0]=4 1272 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,1,0,0,0,0|3,0,0]=4 1273 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [0,1,0,0,0,0|2,0,0]=3 1274 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,1,0,0,0,0|2,0,0]=3 1275 B9R0.4 CCSCC(=O)CC(F)F 1458a_100000230394_100011934356 [0,1,0,0,0,0|3,0,0]=4 1276 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [0,1,0,0,0,0|3,0,0]=4 1277 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [0,1,0,0,0,0|3,0,0]=4 1278 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [0,1,0,0,0,0|3,0,0]=4 1279 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [0,1,0,0,0,0|3,0,0]=4 1280 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [0,1,0,0,0,0|3,0,0]=4 1281 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [0,1,0,0,0,0|3,0,0]=4 1282 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,1,0,0,0,0|3,0,0]=4 1283 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,1,0,0,0,0|3,0,0]=4 1284 B9R0.4 CN(C)CC(=O)CCCF 1458a_100000750896_100011934791 [0,1,0,0,0,0|3,0,0]=4 1285 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [0,1,0,0,0,0|3,0,0]=4 1286 B9R0.4 CN(C)CC(=O)NCCF 11a_100000724931_100000750896 [0,1,0,0,0,0|3,0,0]=4 1287 B9R0.4 CN(C)CC(=O)NCCF 240690a_100000724931_100000750896 [0,1,0,0,0,0|3,0,0]=4 1288 B9R0.4 CN(C)CC(=O)NCCF 527a_100000724931_100000750896 [0,1,0,0,0,0|3,0,0]=4 1289 B9R0.4 CN(C)CC(=O)NCCO 240690a_100000210304_100000750896 [0,1,0,0,0,0|3,0,0]=4 1290 B9R0.4 CN(C)CC(=O)NCCO 527a_100000210304_100000750896 [0,1,0,0,0,0|3,0,0]=4 1291 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,1,0,0,0,0|3,0,0]=4 1292 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,1,0,0,0,0|3,0,0]=4 1293 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,1,0,0,0,0|3,0,0]=4 1294 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,1,0,0,0,0|3,0,0]=4 1295 B9R0.4 COC=CC(=O)CC(C)C 1458a_100016268678_100000210624 [0,1,0,0,0,0|2,0,1]=4 1296 B9R0.4 COC=CC(=O)CC(C)O 1458a_100016268678_100011218427 [0,1,0,0,0,0|2,0,1]=4 1297 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,1,0,0,0,0|2,0,0]=3 1298 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,1,0,0,0,0|2,0,0]=3 1299 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,1,0,0,0,0|2,0,0]=3 1300 B9R0.4 COCCC(=O)CC(F)F 1458a_100000749529_100011934356 [0,1,0,0,0,0|3,0,0]=4 1301 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [0,1,0,0,0,0|3,0,0]=4 1302 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,1,0,0,0,0|2,0,0]=3 1303 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [0,1,0,0,0,0|3,0,0]=4 1304 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,1,0,0,0,0|3,0,0]=4 1305 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,1,0,0,0,0|3,0,0]=4 1306 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,1,0,0,0,0|3,0,0]=4 1307 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,1,0,0,0,0|3,0,0]=4 1308 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,1,0,0,0,0|2,0,0]=3 1309 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,1,0,0,0,0|2,0,0]=3 1310 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,1,0,0,0,0|2,0,0]=3 1311 B9R0.4 CSCCC(=O)CC(F)F 1458a_100000174002_100011934356 [0,1,0,0,0,0|3,0,0]=4 1312 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,1,0,0,0,0|3,0,0]=4 1313 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,1,0,0,0,0|2,0,0]=3 1314 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [0,1,0,0,0,0|3,0,0]=4 1315 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,1,0,0,0,0|3,0,0]=4 1316 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,1,0,0,0,0|3,0,0]=4 1317 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,1,0,0,0,0|3,0,0]=4 1318 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,1,0,0,0,0|3,0,0]=4 1319 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,1,0,0,0,0|3,0,0]=4 1320 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,1,0,0,0,0|3,0,0]=4 1321 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,1,0,0,0,0|3,0,0]=4 1322 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,1,0,0,0,0|3,0,0]=4 1323 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,1,0,0,0,0|2,0,0]=3 1324 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,1,0,0,0,0|2,0,0]=3 1325 B9R0.4 CSCOC(C)CC(C)C 34a_100000211805_100011218213 [0,1,0,0,0,0|2,0,1]=4 1326 B9R0.4 C[C@@H](O)CC(=O)CCC#N 1458a_100011933948_100011215226 [0,1,0,0,0,0|2,0,1]=4 1327 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,1,0,0,0,0|2,0,0]=3 1328 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,1,0,0,0,0|2,0,0]=3 1329 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [0,1,0,0,0,0|2,0,0]=3 1330 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [0,1,0,0,0,0|2,0,0]=3 1331 B9R0.4 C[S+](C)CC(=O)CCCF 1458a_200159257847_100011934791 [0,1,0,0,0,0|3,0,0]=4 1332 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [0,1,0,0,0,0|3,0,0]=4 1333 B9R0.4 C[S+](C)CC(=O)NCCF 11a_100000724931_200159257847 [0,1,0,0,0,0|3,0,0]=4 1334 B9R0.4 C[S+](C)CC(=O)NCCF 1626a_100000724931_200159257847 [0,1,0,0,0,0|3,0,0]=4 1335 B9R0.4 C[S+](C)CC(=O)NCCF 240690a_100000724931_200159257847 [0,1,0,0,0,0|3,0,0]=4 1336 B9R0.4 C[S+](C)CC(=O)NCCF 527a_100000724931_200159257847 [0,1,0,0,0,0|3,0,0]=4 1337 B9R0.4 C[S+](C)CC(=O)NCCO 240690a_100000210304_200159257847 [0,1,0,0,0,0|3,0,0]=4 1338 B9R0.4 C[S+](C)CC(=O)NCCO 527a_100000210304_200159257847 [0,1,0,0,0,0|3,0,0]=4 1339 B9R0.5 C#CCC(=O)C#CCCC 1458a_200011218047_100000184674 [0,1,0,0,0,0|1,0,2]=4 1340 B9R0.5 C#CCC(=O)C=CCCC 1458a_100000212230_100000184674 [0,1,0,0,0,0|1,0,2]=4 1341 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [0,1,0,0,0,0|1,0,2]=4 1342 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [0,1,0,0,0,0|1,0,2]=4 1343 B9R0.5 C#CCC(=O)CCCCF 1458a_100011220946_100000729493 [0,1,0,0,0,0|1,0,2]=4 1344 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [0,1,0,0,0,0|1,0,2]=4 1345 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [0,1,0,0,0,0|1,0,2]=4 1346 B9R0.5 C#CCC(=O)CCCOC 1458a_100000741012_100000184674 [0,1,0,0,0,0|1,0,2]=4 1347 B9R0.5 C#CCC(=O)CCCOC 1458a_100011220946_100000740836 [0,1,0,0,0,0|1,0,2]=4 1348 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [0,1,0,0,0,0|1,0,2]=4 1349 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [0,1,0,0,0,0|1,0,2]=4 1350 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [0,1,0,0,0,0|1,0,2]=4 1351 B9R0.5 C#CCC(=O)CCSCC 1458a_100000230768_100000184674 [0,1,0,0,0,0|1,0,2]=4 1352 B9R0.5 C#CCC(=O)CCSCC 1458a_100011220946_100000757381 [0,1,0,0,0,0|1,0,2]=4 1353 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [0,1,0,0,0,0|0,0,2]=3 1354 B9R0.5 C#CCC(=O)COCCO 1458a_100000708028_100000184674 [0,1,0,0,0,0|1,0,2]=4 1355 B9R0.5 C#CCC(=O)CSCCC 1458a_100000217233_100000184674 [0,1,0,0,0,0|0,1,2]=4 1356 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [0,1,0,0,0,0|1,0,2]=4 1357 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [0,1,0,0,0,0|1,0,2]=4 1358 B9R0.5 C#CCC(=O)NCCCF 1626a_100015189416_100011220946 [0,1,0,0,0,0|1,0,2]=4 1359 B9R0.5 C#CCC(=O)NCCCF 527a_100015189416_100011220946 [0,1,0,0,0,0|1,0,2]=4 1360 B9R0.5 C#CCC(=O)NCCCO 527a_100000182051_100011220946 [0,1,0,0,0,0|1,0,2]=4 1361 B9R0.5 C#CCC(=O)NCCOC 1626a_100000209980_100011220946 [0,1,0,0,0,0|1,0,2]=4 1362 B9R0.5 C#CCC(=O)NCCOC 527a_100000209980_100011220946 [0,1,0,0,0,0|1,0,2]=4 1363 B9R0.5 C#CCC(=O)NCCSC 1626a_100020590264_100011220946 [0,1,0,0,0,0|1,0,2]=4 1364 B9R0.5 C#CCC(=O)NCCSC 527a_100020590264_100011220946 [0,1,0,0,0,0|1,0,2]=4 1365 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,1,0,0,0,0|1,0,1]=3 1366 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,1,0,0,0,0|1,0,1]=3 1367 B9R0.5 C#CCCCC(=O)CCF 1458a_100000690238_100011217306 [0,1,0,0,0,0|2,0,1]=4 1368 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [0,1,0,0,0,0|2,0,1]=4 1369 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [0,1,0,0,0,0|2,0,1]=4 1370 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [0,1,0,0,0,0|2,0,1]=4 1371 B9R0.5 C#CCCCC(=O)CSC 1458a_100000184570_100000731252 [0,1,0,0,0,0|2,0,1]=4 1372 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,1,0,0,0,0|2,0,1]=4 1373 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,1,0,0,0,0|2,0,1]=4 1374 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,1,0,0,0,0|2,0,1]=4 1375 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [0,1,0,0,0,0|1,0,1]=3 1376 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [0,1,0,0,0,0|1,0,1]=3 1377 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [0,1,0,0,0,0|1,0,1]=3 1378 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [0,1,0,0,0,0|1,0,1]=3 1379 B9R0.5 C#CCCNC(=O)CCO 240690a_100000755551_100011216618 [0,1,0,0,0,0|2,0,1]=4 1380 B9R0.5 C#CCCNC(=O)COC 11a_100000755551_100000210968 [0,1,0,0,0,0|2,0,1]=4 1381 B9R0.5 C#CCCNC(=O)COC 1626a_100000755551_100000210968 [0,1,0,0,0,0|2,0,1]=4 1382 B9R0.5 C#CCCNC(=O)COC 240690a_100000755551_100000210968 [0,1,0,0,0,0|2,0,1]=4 1383 B9R0.5 C#CCCNC(=O)COC 527a_100000755551_100000210968 [0,1,0,0,0,0|2,0,1]=4 1384 B9R0.5 C#CCCNC(=O)CSC 11a_100000755551_100000184570 [0,1,0,0,0,0|2,0,1]=4 1385 B9R0.5 C#CCCNC(=O)CSC 1626a_100000755551_100000184570 [0,1,0,0,0,0|2,0,1]=4 1386 B9R0.5 C#CCCNC(=O)CSC 240690a_100000755551_100000184570 [0,1,0,0,0,0|2,0,1]=4 1387 B9R0.5 C#CCCNC(=O)CSC 527a_100000755551_100000184570 [0,1,0,0,0,0|2,0,1]=4 1388 B9R0.5 C#CCCNC(=O)NCC 2708a_100000755551_100015525214 [0,1,0,0,0,0|2,0,1]=4 1389 B9R0.5 C#CCCNC(=O)NCC 2708a_100015525214_100000755551 [0,1,0,0,0,0|2,0,1]=4 1390 B9R0.5 C#CCCNC(=O)NCC 273464a_100000755551_100015525214 [0,1,0,0,0,0|2,0,1]=4 1391 B9R0.5 C#CCCNC(=O)NCC 273464a_100015525214_100000755551 [0,1,0,0,0,0|2,0,1]=4 1392 B9R0.5 C#CCCNC(=O)NCC 512a_100000755551_100015525214 [0,1,0,0,0,0|2,0,1]=4 1393 B9R0.5 C#CCCNC(=O)NCC 512a_100015525214_100000755551 [0,1,0,0,0,0|2,0,1]=4 1394 B9R0.5 C#CCCOC(C)CCC 34a_100000764384_100000688953 [0,1,0,0,0,0|1,0,2]=4 1395 B9R0.5 C#CCCOC(C)CCC 34a_100011215631_100000766640 [0,1,0,0,0,0|1,0,2]=4 1396 B9R0.5 C#CCCOC(C)CCC 7a_100000764384_100000688953 [0,1,0,0,0,0|1,0,2]=4 1397 B9R0.5 C#CCOCC(=O)CCC 1458a_100011251226_100000210303 [0,1,0,0,0,0|0,0,2]=3 1398 B9R0.5 C#CCOCC(=O)CCF 1458a_100011251226_100011217306 [0,1,0,0,0,0|1,0,2]=4 1399 B9R0.5 C#CCOCC(=O)CCO 1458a_100011251226_100000211926 [0,1,0,0,0,0|1,0,2]=4 1400 B9R0.5 C#CCOCC(=O)NCC 11a_100015525214_100011251226 [0,1,0,0,0,0|1,0,2]=4 1401 B9R0.5 C#CCOCC(=O)NCC 34a_100000210247_100000183381 [0,1,0,0,0,0|1,0,2]=4 1402 B9R0.5 C#CCOCC(=O)NCC 527a_100015525214_100011251226 [0,1,0,0,0,0|1,0,2]=4 1403 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [0,1,0,0,0,0|1,0,2]=4 1404 B9R0.5 C#CCSCC(=O)CCC 62a_100000038162_100000747444 [0,1,0,0,0,0|0,1,2]=4 1405 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,1,0,0,0,0|1,0,2]=4 1406 B9R0.5 C/C=C/COC(C)CCC 34a_100000764384_100102629194 [0,1,0,0,0,0|1,0,2]=4 1407 B9R0.5 C/C=C/COC(C)CCC 34a_100016270725_100000766640 [0,1,0,0,0,0|1,0,2]=4 1408 B9R0.5 C/C=C/COC(C)CCC 7a_100000764384_100102629194 [0,1,0,0,0,0|1,0,2]=4 1409 B9R0.5 C=CCC(=O)C#CCCC 1458a_200011218047_100000210623 [0,1,0,0,0,0|1,0,2]=4 1410 B9R0.5 C=CCC(=O)C=CCCC 1458a_100000212230_100000210623 [0,1,0,0,0,0|1,0,2]=4 1411 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,1,0,0,0,0|1,0,2]=4 1412 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,1,0,0,0,0|1,0,2]=4 1413 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [0,1,0,0,0,0|1,0,2]=4 1414 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,1,0,0,0,0|1,0,2]=4 1415 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,1,0,0,0,0|1,0,2]=4 1416 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,1,0,0,0,0|1,0,2]=4 1417 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,1,0,0,0,0|1,0,2]=4 1418 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,1,0,0,0,0|1,0,2]=4 1419 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,1,0,0,0,0|1,0,2]=4 1420 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,1,0,0,0,0|1,0,2]=4 1421 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,1,0,0,0,0|1,0,2]=4 1422 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,1,0,0,0,0|1,0,2]=4 1423 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,1,0,0,0,0|0,0,2]=3 1424 B9R0.5 C=CCC(=O)COCCO 1458a_100000708028_100000210623 [0,1,0,0,0,0|1,0,2]=4 1425 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [0,1,0,0,0,0|0,1,2]=4 1426 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [0,1,0,0,0,0|1,0,2]=4 1427 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [0,1,0,0,0,0|1,0,2]=4 1428 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [0,1,0,0,0,0|1,0,2]=4 1429 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [0,1,0,0,0,0|1,0,2]=4 1430 B9R0.5 C=CCC(=O)NCCCF 11a_100015189416_100000210193 [0,1,0,0,0,0|1,0,2]=4 1431 B9R0.5 C=CCC(=O)NCCCF 1626a_100015189416_100000210193 [0,1,0,0,0,0|1,0,2]=4 1432 B9R0.5 C=CCC(=O)NCCCF 240690a_100015189416_100000210193 [0,1,0,0,0,0|1,0,2]=4 1433 B9R0.5 C=CCC(=O)NCCCF 527a_100015189416_100000210193 [0,1,0,0,0,0|1,0,2]=4 1434 B9R0.5 C=CCC(=O)NCCCO 240690a_100000182051_100000210193 [0,1,0,0,0,0|1,0,2]=4 1435 B9R0.5 C=CCC(=O)NCCCO 527a_100000182051_100000210193 [0,1,0,0,0,0|1,0,2]=4 1436 B9R0.5 C=CCC(=O)NCCOC 1626a_100000209980_100000210193 [0,1,0,0,0,0|1,0,2]=4 1437 B9R0.5 C=CCC(=O)NCCOC 240690a_100000209980_100000210193 [0,1,0,0,0,0|1,0,2]=4 1438 B9R0.5 C=CCC(=O)NCCOC 527a_100000209980_100000210193 [0,1,0,0,0,0|1,0,2]=4 1439 B9R0.5 C=CCC(=O)NCCSC 11a_100020590264_100000210193 [0,1,0,0,0,0|1,0,2]=4 1440 B9R0.5 C=CCC(=O)NCCSC 1626a_100020590264_100000210193 [0,1,0,0,0,0|1,0,2]=4 1441 B9R0.5 C=CCC(=O)NCCSC 240690a_100020590264_100000210193 [0,1,0,0,0,0|1,0,2]=4 1442 B9R0.5 C=CCC(=O)NCCSC 527a_100020590264_100000210193 [0,1,0,0,0,0|1,0,2]=4 1443 B9R0.5 C=CCC(=O)NNCCC 22a_100000740057_100000210193 [0,1,0,0,0,0|1,0,2]=4 1444 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,1,0,0,0,0|1,0,1]=3 1445 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,1,0,0,0,0|1,0,1]=3 1446 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [0,1,0,0,0,0|2,0,1]=4 1447 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,1,0,0,0,0|2,0,1]=4 1448 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,1,0,0,0,0|2,0,1]=4 1449 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,1,0,0,0,0|2,0,1]=4 1450 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [0,1,0,0,0,0|2,0,1]=4 1451 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,1,0,0,0,0|2,0,1]=4 1452 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,1,0,0,0,0|2,0,1]=4 1453 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,1,0,0,0,0|2,0,1]=4 1454 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [0,1,0,0,0,0|1,0,1]=3 1455 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [0,1,0,0,0,0|1,0,1]=3 1456 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [0,1,0,0,0,0|1,0,1]=3 1457 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [0,1,0,0,0,0|1,0,1]=3 1458 B9R0.5 C=CCCNC(=O)CCO 240690a_100015191253_100011216618 [0,1,0,0,0,0|2,0,1]=4 1459 B9R0.5 C=CCCNC(=O)COC 11a_100015191253_100000210968 [0,1,0,0,0,0|2,0,1]=4 1460 B9R0.5 C=CCCNC(=O)COC 1626a_100015191253_100000210968 [0,1,0,0,0,0|2,0,1]=4 1461 B9R0.5 C=CCCNC(=O)COC 240690a_100015191253_100000210968 [0,1,0,0,0,0|2,0,1]=4 1462 B9R0.5 C=CCCNC(=O)COC 527a_100015191253_100000210968 [0,1,0,0,0,0|2,0,1]=4 1463 B9R0.5 C=CCCNC(=O)CSC 11a_100015191253_100000184570 [0,1,0,0,0,0|2,0,1]=4 1464 B9R0.5 C=CCCNC(=O)CSC 1626a_100015191253_100000184570 [0,1,0,0,0,0|2,0,1]=4 1465 B9R0.5 C=CCCNC(=O)CSC 240690a_100015191253_100000184570 [0,1,0,0,0,0|2,0,1]=4 1466 B9R0.5 C=CCCNC(=O)CSC 527a_100015191253_100000184570 [0,1,0,0,0,0|2,0,1]=4 1467 B9R0.5 C=CCCNC(=O)NCC 2708a_100015191253_100015525214 [0,1,0,0,0,0|2,0,1]=4 1468 B9R0.5 C=CCCNC(=O)NCC 2708a_100015525214_100015191253 [0,1,0,0,0,0|2,0,1]=4 1469 B9R0.5 C=CCCNC(=O)NCC 273464a_100015191253_100015525214 [0,1,0,0,0,0|2,0,1]=4 1470 B9R0.5 C=CCCNC(=O)NCC 273464a_100015525214_100015191253 [0,1,0,0,0,0|2,0,1]=4 1471 B9R0.5 C=CCCNC(=O)NCC 512a_100015191253_100015525214 [0,1,0,0,0,0|2,0,1]=4 1472 B9R0.5 C=CCCNC(=O)NCC 512a_100015525214_100015191253 [0,1,0,0,0,0|2,0,1]=4 1473 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [0,1,0,0,0,0|1,0,2]=4 1474 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [0,1,0,0,0,0|1,0,2]=4 1475 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [0,1,0,0,0,0|1,0,2]=4 1476 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [0,1,0,0,0,0|1,0,2]=4 1477 B9R0.5 C=CCNNC(=O)CCC 22a_100020588587_100000211992 [0,1,0,0,0,0|1,0,2]=4 1478 B9R0.5 C=CCOCC(=O)NCC 34a_200000210373_100000183381 [0,1,0,0,0,0|1,0,2]=4 1479 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,1,0,0,0,0|1,0,2]=4 1480 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [0,1,0,0,0,0|0,1,2]=4 1481 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [0,1,0,0,0,0|0,1,2]=4 1482 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [0,1,0,0,0,0|0,1,2]=4 1483 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,1,0,0,0,0|1,0,2]=4 1484 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [0,1,0,0,0,0|1,0,2]=4 1485 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,1,0,0,0,0|1,0,2]=4 1486 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [0,1,0,0,0,0|1,0,2]=4 1487 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,1,0,0,0,0|1,0,2]=4 1488 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [0,1,0,0,0,0|1,0,2]=4 1489 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [0,1,0,0,0,0|1,0,2]=4 1490 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [0,1,0,0,0,0|1,0,2]=4 1491 B9R0.5 CC#CC(=O)NNCCC 22a_100000740057_100000763181 [0,1,0,0,0,0|1,0,2]=4 1492 B9R0.5 CC#CCNC(=O)CCC 11a_100000685387_100000211992 [0,1,0,0,0,0|1,0,1]=3 1493 B9R0.5 CC#CCNC(=O)CCC 1626a_100000685387_100000211992 [0,1,0,0,0,0|1,0,1]=3 1494 B9R0.5 CC#CCNC(=O)CCC 527a_100000685387_100000211992 [0,1,0,0,0,0|1,0,1]=3 1495 B9R0.5 CC#CCNC(=O)COC 11a_100000685387_100000210968 [0,1,0,0,0,0|2,0,1]=4 1496 B9R0.5 CC#CCNC(=O)COC 1626a_100000685387_100000210968 [0,1,0,0,0,0|2,0,1]=4 1497 B9R0.5 CC#CCNC(=O)COC 527a_100000685387_100000210968 [0,1,0,0,0,0|2,0,1]=4 1498 B9R0.5 CC#CCNC(=O)CSC 11a_100000685387_100000184570 [0,1,0,0,0,0|2,0,1]=4 1499 B9R0.5 CC#CCNC(=O)CSC 1626a_100000685387_100000184570 [0,1,0,0,0,0|2,0,1]=4 1500 B9R0.5 CC#CCNC(=O)CSC 527a_100000685387_100000184570 [0,1,0,0,0,0|2,0,1]=4 1501 B9R0.5 CC#CCNC(=O)NCC 2708a_100015525214_100000685387 [0,1,0,0,0,0|2,0,1]=4 1502 B9R0.5 CC#CCNC(=O)NCC 273464a_100000685387_100015525214 [0,1,0,0,0,0|2,0,1]=4 1503 B9R0.5 CC#CCNC(=O)NCC 273464a_100015525214_100000685387 [0,1,0,0,0,0|2,0,1]=4 1504 B9R0.5 CC#CCNC(=O)NCC 512a_100000685387_100015525214 [0,1,0,0,0,0|2,0,1]=4 1505 B9R0.5 CC#CCNC(=O)NCC 512a_100015525214_100000685387 [0,1,0,0,0,0|2,0,1]=4 1506 B9R0.5 CC#CCOC(C)CCC 34a_100000761923_100000766640 [0,1,0,0,0,0|1,0,2]=4 1507 B9R0.5 CC#CCOC(C)CCC 34a_100000764384_100000748600 [0,1,0,0,0,0|1,0,2]=4 1508 B9R0.5 CC#CCOC(C)CCC 7a_100000764384_100000748600 [0,1,0,0,0,0|1,0,2]=4 1509 B9R0.5 CC(CCBr)OCCCF 34a_100012276601_100011934791 [0,1,0,0,0,0|2,0,1]=4 1510 B9R0.5 CC(CCBr)OCCCO 34a_100012276601_100000230001 [0,1,0,0,0,0|2,0,1]=4 1511 B9R0.5 CC(CCO)OCCCBr 34a_100011217188_100009893172 [0,1,0,0,0,0|2,0,1]=4 1512 B9R0.5 CC(CCO)OCCCCl 34a_100000230001_100009893172 [0,1,0,0,0,0|2,0,1]=4 1513 B9R0.5 CC(CCO)OCCCF 34a_100000759539_100009893172 [0,1,0,0,0,0|2,0,1]=4 1514 B9R0.5 CC(CCO)OCCCN 34a_100000182051_100009893172 [0,1,0,0,0,0|2,0,1]=4 1515 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,1,0,0,0,0|1,0,1]=3 1516 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,1,0,0,0,0|2,0,1]=4 1517 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,1,0,0,0,0|2,0,1]=4 1518 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,1,0,0,0,0|2,0,1]=4 1519 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,1,0,0,0,0|2,0,1]=4 1520 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,1,0,0,0,0|2,0,1]=4 1521 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,1,0,0,0,0|1,0,1]=3 1522 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,1,0,0,0,0|2,0,1]=4 1523 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,1,0,0,0,0|2,0,1]=4 1524 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,1,0,0,0,0|2,0,1]=4 1525 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,1,0,0,0,0|1,0,2]=4 1526 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,1,0,0,0,0|1,0,2]=4 1527 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,1,0,0,0,0|1,0,2]=4 1528 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,1,0,0,0,0|1,0,2]=4 1529 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,1,0,0,0,0|1,0,2]=4 1530 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,1,0,0,0,0|1,0,2]=4 1531 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,1,0,0,0,0|1,0,2]=4 1532 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,1,0,0,0,0|1,0,2]=4 1533 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,1,0,0,0,0|1,0,2]=4 1534 B9R0.5 CC=CC(=O)NCCCF 11a_100015189416_100000210699 [0,1,0,0,0,0|1,0,2]=4 1535 B9R0.5 CC=CC(=O)NCCCF 1626a_100015189416_100000210699 [0,1,0,0,0,0|1,0,2]=4 1536 B9R0.5 CC=CC(=O)NCCCF 240690a_100015189416_100000210699 [0,1,0,0,0,0|1,0,2]=4 1537 B9R0.5 CC=CC(=O)NCCCO 240690a_100000182051_100000210699 [0,1,0,0,0,0|1,0,2]=4 1538 B9R0.5 CC=CC(=O)NCCOC 1626a_100000209980_100000210699 [0,1,0,0,0,0|1,0,2]=4 1539 B9R0.5 CC=CC(=O)NCCOC 240690a_100000209980_100000210699 [0,1,0,0,0,0|1,0,2]=4 1540 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [0,1,0,0,0,0|1,0,2]=4 1541 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [0,1,0,0,0,0|1,0,2]=4 1542 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [0,1,0,0,0,0|1,0,2]=4 1543 B9R0.5 CC=CC(=O)NNCCC 22a_100000740057_100000210699 [0,1,0,0,0,0|1,0,2]=4 1544 B9R0.5 CC=CCOC(C)CCC 34a_100000764384_100000070051 [0,1,0,0,0,0|1,0,2]=4 1545 B9R0.5 CC=CCOC(C)CCC 7a_100000764384_100000070051 [0,1,0,0,0,0|1,0,2]=4 1546 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [0,1,0,0,0,0|1,0,1]=3 1547 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [0,1,0,0,0,0|2,0,1]=4 1548 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [0,1,0,0,0,0|2,0,1]=4 1549 B9R0.5 CCC#CCC(=O)CSC 1458a_100000184570_100009813939 [0,1,0,0,0,0|2,0,1]=4 1550 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [0,1,0,0,0,0|1,0,1]=3 1551 B9R0.5 CCC=NNC(=O)COC 4a_100000216845_100000210100 [0,1,0,0,0,0|2,0,1]=4 1552 B9R0.5 CCCC#CC(=O)CC#N 1458a_200011218047_100011214920 [0,1,0,0,0,0|2,0,1]=4 1553 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,1,0,0,0,0|1,0,0]=2 1554 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [0,1,0,0,0,0|2,0,0]=3 1555 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [0,1,0,0,0,0|2,0,0]=3 1556 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [0,1,0,0,0,0|2,0,0]=3 1557 B9R0.5 CCCC#CC(=O)NNC 22a_100016993582_200011218047 [0,1,0,0,0,0|3,0,0]=4 1558 B9R0.5 CCCC(=NNCCO)C 4a_100000210001_100000211909 [0,1,0,0,0,0|3,0,0]=4 1559 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,1,0,0,0,0|1,0,1]=3 1560 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,1,0,0,0,0|1,0,1]=3 1561 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [0,1,0,0,0,0|1,0,2]=4 1562 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,1,0,0,0,0|1,0,1]=3 1563 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,1,0,0,0,0|1,0,1]=3 1564 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,1,0,0,0,0|1,0,0]=2 1565 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,1,0,0,0,0|1,0,0]=2 1566 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,1,0,0,0,0|1,0,0]=2 1567 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,1,0,0,0,0|1,0,0]=2 1568 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,1,0,0,0,0|1,0,0]=2 1569 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,1,0,0,0,0|1,0,0]=2 1570 B9R0.5 CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210303 [0,1,0,0,0,0|3,0,0]=4 1571 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,1,0,0,0,0|1,0,0]=2 1572 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,1,0,0,0,0|1,0,0]=2 1573 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,1,0,0,0,0|1,0,0]=2 1574 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,1,0,0,0,0|1,0,0]=2 1575 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,1,0,0,0,0|2,0,0]=3 1576 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,1,0,0,0,0|1,0,0]=2 1577 B9R0.5 CCCC(=O)CSCC#N 1458a_100000150266_100000210303 [0,1,0,0,0,0|1,1,1]=4 1578 B9R0.5 CCCC(=O)CSCC#N 62a_100000747444_100011215382 [0,1,0,0,0,0|1,1,1]=4 1579 B9R0.5 CCCC(=O)CSCC#N 62a_100011215382_100000747444 [0,1,0,0,0,0|1,1,1]=4 1580 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,1,0,0,0,0|1,1,1]=4 1581 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,1,0,0,0,0|1,1,1]=4 1582 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,1,0,0,0,0|1,1,0]=3 1583 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,1,0,0,0,0|1,1,0]=3 1584 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,1,0,0,0,0|1,1,0]=3 1585 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,1,0,0,0,0|1,1,0]=3 1586 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,1,0,0,0,0|1,1,0]=3 1587 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,1,0,0,0,0|1,1,0]=3 1588 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,1,0,0,0,0|1,1,0]=3 1589 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,1,0,0,0,0|1,1,0]=3 1590 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [0,1,0,0,0,0|1,0,1]=3 1591 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [0,1,0,0,0,0|1,0,1]=3 1592 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [0,1,0,0,0,0|1,0,1]=3 1593 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [0,1,0,0,0,0|1,0,1]=3 1594 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,1,0,0,0,0|1,0,0]=2 1595 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,1,0,0,0,0|1,0,0]=2 1596 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,1,0,0,0,0|1,0,0]=2 1597 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,1,0,0,0,0|1,0,0]=2 1598 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,1,0,0,0,0|1,0,0]=2 1599 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,1,0,0,0,0|1,0,0]=2 1600 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,1,0,0,0,0|1,0,0]=2 1601 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,1,0,0,0,0|1,0,0]=2 1602 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,1,0,0,0,0|1,0,0]=2 1603 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,1,0,0,0,0|1,0,0]=2 1604 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,1,0,0,0,0|1,0,0]=2 1605 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,1,0,0,0,0|1,0,0]=2 1606 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,1,0,0,0,0|1,0,0]=2 1607 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [0,1,0,0,0,0|2,0,0]=3 1608 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,1,0,0,0,0|0,0,0]=1 1609 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,1,0,0,0,0|0,0,0]=1 1610 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,1,0,0,0,0|0,0,0]=1 1611 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [0,1,0,0,0,0|1,0,0]=2 1612 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [0,1,0,0,0,0|2,0,1]=4 1613 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [0,1,0,0,0,0|2,0,1]=4 1614 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [0,1,0,0,0,0|2,0,1]=4 1615 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [0,1,0,0,0,0|2,0,1]=4 1616 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [0,1,0,0,0,0|2,0,1]=4 1617 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [0,1,0,0,0,0|2,0,1]=4 1618 B9R0.5 CCCC(C)COCCBr 34a_100000211926_100011216630 [0,1,0,0,0,0|2,0,1]=4 1619 B9R0.5 CCCC(C)COCCF 34a_100000688023_100011217306 [0,1,0,0,0,0|2,0,1]=4 1620 B9R0.5 CCCC(C)COCCF 7a_100000688023_100011217306 [0,1,0,0,0,0|2,0,1]=4 1621 B9R0.5 CCCC(C)COCCN 34a_100000210304_100011216630 [0,1,0,0,0,0|2,0,1]=4 1622 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [0,1,0,0,0,0|2,0,1]=4 1623 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [0,1,0,0,0,0|2,0,1]=4 1624 B9R0.5 CCCC(C)COCSC 34a_100000688023_100011218213 [0,1,0,0,0,0|2,0,1]=4 1625 B9R0.5 CCCC(C)NCCCF 2230a_100000741246_100011934791 [0,1,0,0,0,0|2,0,1]=4 1626 B9R0.5 CCCC(C)NCCCF 2230a_100015189416_100000766640 [0,1,0,0,0,0|2,0,1]=4 1627 B9R0.5 CCCC(C)NCCCF 270004a_100015189416_100000211909 [0,1,0,0,0,0|2,0,1]=4 1628 B9R0.5 CCCC(C)NCCCF 34a_100015189416_100000766640 [0,1,0,0,0,0|2,0,1]=4 1629 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [0,1,0,0,0,0|2,0,1]=4 1630 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [0,1,0,0,0,0|2,0,1]=4 1631 B9R0.5 CCCC(C)NCCOC 2230a_100000209980_100000766640 [0,1,0,0,0,0|2,0,1]=4 1632 B9R0.5 CCCC(C)NCCOC 2230a_100000741246_100011201679 [0,1,0,0,0,0|2,0,1]=4 1633 B9R0.5 CCCC(C)NCCOC 270004a_100000209980_100000211909 [0,1,0,0,0,0|2,0,1]=4 1634 B9R0.5 CCCC(C)NCCSC 2230a_100000741246_100000751147 [0,1,0,0,0,0|2,0,1]=4 1635 B9R0.5 CCCC(C)NCCSC 2230a_100020590264_100000766640 [0,1,0,0,0,0|2,0,1]=4 1636 B9R0.5 CCCC(C)NCCSC 270004a_100020590264_100000211909 [0,1,0,0,0,0|2,0,1]=4 1637 B9R0.5 CCCC(C)OCCC#N 7a_100000764384_100000184422 [0,1,0,0,0,0|1,0,2]=4 1638 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [0,1,0,0,0,0|1,0,1]=3 1639 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [0,1,0,0,0,0|1,0,1]=3 1640 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [0,1,0,0,0,0|1,0,1]=3 1641 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [0,1,0,0,0,0|1,0,1]=3 1642 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [0,1,0,0,0,0|1,0,1]=3 1643 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [0,1,0,0,0,0|1,0,1]=3 1644 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [0,1,0,0,0,0|1,0,1]=3 1645 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [0,1,0,0,0,0|1,0,1]=3 1646 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [0,1,0,0,0,0|1,0,1]=3 1647 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [0,1,0,0,0,0|1,0,1]=3 1648 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [0,1,0,0,0,0|1,0,1]=3 1649 B9R0.5 CCCC(C)OCCON 34a_100000700252_100000766640 [0,1,0,0,0,0|2,0,1]=4 1650 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [0,1,0,0,0,0|1,0,1]=3 1651 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [0,1,0,0,0,0|1,0,1]=3 1652 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [0,1,0,0,0,0|1,0,1]=3 1653 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [0,1,0,0,0,0|1,0,1]=3 1654 B9R0.5 CCCC(C)SCCCF 62a_100000766640_100011934791 [0,1,0,0,0,0|1,1,1]=4 1655 B9R0.5 CCCC(C)SCCCF 62a_100011934791_100000766640 [0,1,0,0,0,0|1,1,1]=4 1656 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [0,1,0,0,0,0|1,1,1]=4 1657 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [0,1,0,0,0,0|1,1,1]=4 1658 B9R0.5 CCCC(C)SCCOC 62a_100000233755_100000766640 [0,1,0,0,0,0|1,1,1]=4 1659 B9R0.5 CCCC(C)SCCOC 62a_100000766640_100000233755 [0,1,0,0,0,0|1,1,1]=4 1660 B9R0.5 CCCC(C)SCCSC 62a_100000212216_100000766640 [0,1,0,0,0,0|1,1,1]=4 1661 B9R0.5 CCCC(C)SCCSC 62a_100000766640_100000751147 [0,1,0,0,0,0|1,1,1]=4 1662 B9R0.5 CCCC(C)SCOCC 62a_100000739092_100000766640 [0,1,0,0,0,0|1,1,1]=4 1663 B9R0.5 CCCC(C)SCOCC 62a_100000766640_100000739092 [0,1,0,0,0,0|1,1,1]=4 1664 B9R0.5 CCCC=CC(=O)CC#N 1458a_100000212230_100011214920 [0,1,0,0,0,0|2,0,1]=4 1665 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,1,0,0,0,0|1,0,0]=2 1666 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,1,0,0,0,0|2,0,0]=3 1667 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,1,0,0,0,0|2,0,0]=3 1668 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,1,0,0,0,0|2,0,0]=3 1669 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,1,0,0,0,0|2,0,0]=3 1670 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [0,1,0,0,0,0|3,0,0]=4 1671 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [0,1,0,0,0,0|2,0,1]=4 1672 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [0,1,0,0,0,0|2,0,1]=4 1673 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,1,0,0,0,0|1,0,0]=2 1674 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,1,0,0,0,0|1,0,0]=2 1675 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,1,0,0,0,0|2,0,0]=3 1676 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,1,0,0,0,0|2,0,0]=3 1677 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,1,0,0,0,0|2,0,0]=3 1678 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,1,0,0,0,0|2,0,0]=3 1679 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,1,0,0,0,0|2,0,0]=3 1680 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,1,0,0,0,0|2,0,0]=3 1681 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,1,0,0,0,0|2,0,0]=3 1682 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,1,0,0,0,0|2,0,0]=3 1683 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,1,0,0,0,0|2,0,0]=3 1684 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,1,0,0,0,0|2,0,0]=3 1685 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,1,0,0,0,0|2,0,0]=3 1686 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,1,0,0,0,0|2,0,0]=3 1687 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,1,0,0,0,0|2,0,0]=3 1688 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,1,0,0,0,0|2,0,0]=3 1689 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,1,0,0,0,0|2,0,0]=3 1690 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,1,0,0,0,0|2,0,0]=3 1691 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,1,0,0,0,0|3,0,0]=4 1692 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [0,1,0,0,0,0|3,0,0]=4 1693 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [0,1,0,0,0,0|3,0,0]=4 1694 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [0,1,0,0,0,0|3,0,0]=4 1695 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [0,1,0,0,0,0|3,0,0]=4 1696 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [0,1,0,0,0,0|3,0,0]=4 1697 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [0,1,0,0,0,0|3,0,0]=4 1698 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [0,1,0,0,0,0|3,0,0]=4 1699 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [0,1,0,0,0,0|3,0,0]=4 1700 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [0,1,0,0,0,0|2,0,1]=4 1701 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [0,1,0,0,0,0|2,0,1]=4 1702 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,1,0,0,0,0|1,0,0]=2 1703 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,1,0,0,0,0|1,0,0]=2 1704 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,1,0,0,0,0|1,0,0]=2 1705 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,1,0,0,0,0|1,0,0]=2 1706 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,1,0,0,0,0|2,0,0]=3 1707 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,1,0,0,0,0|2,0,0]=3 1708 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,1,0,0,0,0|2,0,0]=3 1709 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,1,0,0,0,0|2,0,0]=3 1710 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,1,0,0,0,0|2,0,0]=3 1711 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,1,0,0,0,0|2,0,0]=3 1712 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,1,0,0,0,0|2,0,0]=3 1713 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,1,0,0,0,0|2,0,0]=3 1714 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,1,0,0,0,0|2,0,0]=3 1715 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,1,0,0,0,0|2,0,0]=3 1716 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,1,0,0,0,0|2,0,0]=3 1717 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,1,0,0,0,0|2,0,0]=3 1718 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,1,0,0,0,0|2,0,0]=3 1719 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,1,0,0,0,0|2,0,0]=3 1720 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,1,0,0,0,0|2,0,0]=3 1721 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,1,0,0,0,0|2,0,0]=3 1722 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,1,0,0,0,0|2,0,0]=3 1723 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,1,0,0,0,0|2,0,0]=3 1724 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,1,0,0,0,0|2,0,0]=3 1725 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,1,0,0,0,0|2,0,0]=3 1726 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,1,0,0,0,0|2,0,0]=3 1727 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,1,0,0,0,0|2,0,0]=3 1728 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,1,0,0,0,0|2,0,0]=3 1729 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [0,1,0,0,0,0|3,0,0]=4 1730 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [0,1,0,0,0,0|3,0,0]=4 1731 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [0,1,0,0,0,0|3,0,0]=4 1732 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [0,1,0,0,0,0|2,0,1]=4 1733 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [0,1,0,0,0,0|2,0,1]=4 1734 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [0,1,0,0,0,0|2,0,1]=4 1735 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [0,1,0,0,0,0|2,0,1]=4 1736 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,1,0,0,0,0|1,0,0]=2 1737 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,1,0,0,0,0|1,0,0]=2 1738 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,1,0,0,0,0|1,0,0]=2 1739 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,1,0,0,0,0|1,0,0]=2 1740 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,1,0,0,0,0|1,0,0]=2 1741 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,1,0,0,0,0|1,0,0]=2 1742 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,1,0,0,0,0|1,0,0]=2 1743 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,1,0,0,0,0|1,0,0]=2 1744 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [0,1,0,0,0,0|2,0,1]=4 1745 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [0,1,0,0,0,0|1,0,1]=3 1746 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [0,1,0,0,0,0|1,0,1]=3 1747 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [0,1,0,0,0,0|1,0,1]=3 1748 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [0,1,0,0,0,0|1,0,1]=3 1749 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [0,1,0,0,0,0|2,0,1]=4 1750 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [0,1,0,0,0,0|2,0,1]=4 1751 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [0,1,0,0,0,0|2,0,1]=4 1752 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [0,1,0,0,0,0|2,0,1]=4 1753 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [0,1,0,0,0,0|2,0,1]=4 1754 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [0,1,0,0,0,0|1,1,1]=4 1755 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [0,1,0,0,0,0|1,1,1]=4 1756 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [0,1,0,0,0,0|3,0,0]=4 1757 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [0,1,0,0,0,0|3,0,0]=4 1758 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [0,1,0,0,0,0|3,0,0]=4 1759 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [0,1,0,0,0,0|3,0,0]=4 1760 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [0,1,0,0,0,0|3,0,0]=4 1761 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [0,1,0,0,0,0|3,0,0]=4 1762 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [0,1,0,0,0,0|3,0,0]=4 1763 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [0,1,0,0,0,0|3,0,0]=4 1764 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [0,1,0,0,0,0|3,0,0]=4 1765 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [0,1,0,0,0,0|3,0,0]=4 1766 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [0,1,0,0,0,0|3,0,0]=4 1767 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [0,1,0,0,0,0|3,0,0]=4 1768 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [0,1,0,0,0,0|3,0,0]=4 1769 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [0,1,0,0,0,0|3,0,0]=4 1770 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,1,0,0,0,0|2,0,0]=3 1771 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [0,1,0,0,0,0|2,0,1]=4 1772 B9R0.5 CCCNN=C(C)CCC 4a_100000740057_100000211909 [0,1,0,0,0,0|2,0,0]=3 1773 B9R0.5 CCCNN=C(C)COC 4a_100000740057_100000749346 [0,1,0,0,0,0|3,0,0]=4 1774 B9R0.5 CCCNN=C(C)CSC 4a_100000740057_100011216314 [0,1,0,0,0,0|3,0,0]=4 1775 B9R0.5 CCCNNC(=O)CC#N 22a_100000740057_100051588842 [0,1,0,0,0,0|2,0,1]=4 1776 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,1,0,0,0,0|1,0,0]=2 1777 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [0,1,0,0,0,0|2,0,0]=3 1778 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [0,1,0,0,0,0|2,0,0]=3 1779 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [0,1,0,0,0,0|2,0,0]=3 1780 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [0,1,0,0,0,0|2,0,0]=3 1781 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [0,1,0,0,0,0|2,0,0]=3 1782 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [0,1,0,0,0,0|2,0,0]=3 1783 B9R0.5 CCCNNC(=O)NNC 512a_100000740057_100016993582 [0,1,0,0,0,0|3,0,0]=4 1784 B9R0.5 CCCNNC(=O)NNC 512a_100016993582_100000740057 [0,1,0,0,0,0|3,0,0]=4 1785 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [0,1,0,0,0,0|1,0,1]=3 1786 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,1,0,0,0,0|0,0,0]=1 1787 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,1,0,0,0,0|1,0,0]=2 1788 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,1,0,0,0,0|1,0,0]=2 1789 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,1,0,0,0,0|1,0,0]=2 1790 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,1,0,0,0,0|1,0,0]=2 1791 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,1,0,0,0,0|1,0,0]=2 1792 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,1,0,0,0,0|1,0,0]=2 1793 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,1,0,0,0,0|2,0,0]=3 1794 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,1,0,0,0,0|2,0,0]=3 1795 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,1,0,0,0,0|1,0,0]=2 1796 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [0,1,0,0,0,0|1,0,1]=3 1797 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [0,1,0,0,0,0|1,0,1]=3 1798 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [0,1,0,0,0,0|1,0,1]=3 1799 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [0,1,0,0,0,0|2,0,1]=4 1800 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [0,1,0,0,0,0|2,0,1]=4 1801 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [0,1,0,0,0,0|1,0,2]=4 1802 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [0,1,0,0,0,0|1,0,1]=3 1803 B9R0.5 CCCSCC(=O)CC#N 1458a_100000217233_100011214920 [0,1,0,0,0,0|1,1,1]=4 1804 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,1,0,0,0,0|0,1,0]=2 1805 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,1,0,0,0,0|0,1,0]=2 1806 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,1,0,0,0,0|0,1,0]=2 1807 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,1,0,0,0,0|1,1,0]=3 1808 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,1,0,0,0,0|1,1,0]=3 1809 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,1,0,0,0,0|1,1,0]=3 1810 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,1,0,0,0,0|1,1,0]=3 1811 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,1,0,0,0,0|1,1,0]=3 1812 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,1,0,0,0,0|1,1,0]=3 1813 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,1,0,0,0,0|1,1,0]=3 1814 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,1,0,0,0,0|2,1,0]=4 1815 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,1,0,0,0,0|2,1,0]=4 1816 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [0,1,0,0,0,0|2,1,0]=4 1817 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,1,0,0,0,0|1,1,0]=3 1818 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,1,0,0,0,0|1,1,0]=3 1819 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [0,1,0,0,0,0|1,1,1]=4 1820 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [0,1,0,0,0,0|1,1,1]=4 1821 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [0,1,0,0,0,0|2,0,1]=4 1822 B9R0.5 CCC[C@H](N)COCCF 34a_100000732646_100011217306 [0,1,0,0,0,0|2,0,1]=4 1823 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [0,1,0,0,0,0|2,0,1]=4 1824 B9R0.5 CCC[C@H](N)COCSC 34a_100000732646_100011218213 [0,1,0,0,0,0|2,0,1]=4 1825 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [0,1,0,0,0,0|2,0,1]=4 1826 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [0,1,0,0,0,0|2,0,1]=4 1827 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,1,0,0,0,0|2,0,1]=4 1828 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,1,0,0,0,0|2,0,1]=4 1829 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,1,0,0,0,0|2,0,1]=4 1830 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,1,0,0,0,0|2,0,1]=4 1831 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,1,0,0,0,0|2,0,1]=4 1832 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,1,0,0,0,0|2,0,0]=3 1833 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,1,0,0,0,0|2,0,0]=3 1834 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,1,0,0,0,0|2,0,0]=3 1835 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,1,0,0,0,0|2,0,0]=3 1836 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,1,0,0,0,0|2,0,0]=3 1837 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,1,0,0,0,0|2,0,0]=3 1838 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,1,0,0,0,0|3,0,0]=4 1839 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,1,0,0,0,0|2,0,0]=3 1840 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,1,0,0,0,0|2,0,0]=3 1841 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,1,0,0,0,0|2,0,0]=3 1842 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,1,0,0,0,0|2,0,0]=3 1843 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,1,0,0,0,0|2,0,0]=3 1844 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,1,0,0,0,0|2,0,0]=3 1845 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,1,0,0,0,0|2,0,0]=3 1846 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,1,0,0,0,0|2,0,0]=3 1847 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,1,0,0,0,0|3,0,0]=4 1848 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,1,0,0,0,0|3,0,0]=4 1849 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,1,0,0,0,0|3,0,0]=4 1850 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,1,0,0,0,0|3,0,0]=4 1851 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,1,0,0,0,0|3,0,0]=4 1852 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,1,0,0,0,0|3,0,0]=4 1853 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,1,0,0,0,0|3,0,0]=4 1854 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,1,0,0,0,0|3,0,0]=4 1855 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,1,0,0,0,0|3,0,0]=4 1856 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,1,0,0,0,0|2,0,0]=3 1857 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,1,0,0,0,0|2,0,0]=3 1858 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,1,0,0,0,0|2,0,0]=3 1859 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,1,0,0,0,0|2,1,0]=4 1860 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,1,0,0,0,0|2,1,0]=4 1861 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,1,0,0,0,0|2,1,0]=4 1862 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,1,0,0,0,0|2,1,0]=4 1863 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,1,0,0,0,0|2,1,0]=4 1864 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,1,0,0,0,0|2,1,0]=4 1865 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,1,0,0,0,0|2,1,0]=4 1866 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,1,0,0,0,0|2,1,0]=4 1867 B9R0.5 CCNC(=O)NCCC#N 2708a_100000720768_100015525214 [0,1,0,0,0,0|2,0,1]=4 1868 B9R0.5 CCNC(=O)NCCC#N 2708a_100015525214_100000720768 [0,1,0,0,0,0|2,0,1]=4 1869 B9R0.5 CCNC(=O)NCCC#N 273464a_100000720768_100015525214 [0,1,0,0,0,0|2,0,1]=4 1870 B9R0.5 CCNC(=O)NCCC#N 273464a_100015525214_100000720768 [0,1,0,0,0,0|2,0,1]=4 1871 B9R0.5 CCNC(=O)NCCC#N 512a_100000720768_100015525214 [0,1,0,0,0,0|2,0,1]=4 1872 B9R0.5 CCNC(=O)NCCC#N 512a_100015525214_100000720768 [0,1,0,0,0,0|2,0,1]=4 1873 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,1,0,0,0,0|2,0,0]=3 1874 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,1,0,0,0,0|2,0,0]=3 1875 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,1,0,0,0,0|2,0,0]=3 1876 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,1,0,0,0,0|2,0,0]=3 1877 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,1,0,0,0,0|2,0,0]=3 1878 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,1,0,0,0,0|2,0,0]=3 1879 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,1,0,0,0,0|2,0,0]=3 1880 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,1,0,0,0,0|2,0,0]=3 1881 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,1,0,0,0,0|2,0,0]=3 1882 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,1,0,0,0,0|2,0,0]=3 1883 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,1,0,0,0,0|2,0,0]=3 1884 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,1,0,0,0,0|2,0,0]=3 1885 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,1,0,0,0,0|2,0,0]=3 1886 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,1,0,0,0,0|2,0,0]=3 1887 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,1,0,0,0,0|2,0,0]=3 1888 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,1,0,0,0,0|2,0,0]=3 1889 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,1,0,0,0,0|2,0,0]=3 1890 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,1,0,0,0,0|2,0,0]=3 1891 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,1,0,0,0,0|2,0,0]=3 1892 B9R0.5 CCNC(=O)NNCCO 273464a_100015525214_100000210001 [0,1,0,0,0,0|3,0,0]=4 1893 B9R0.5 CCNC(=O)NNCCO 512a_100015525214_100000210001 [0,1,0,0,0,0|3,0,0]=4 1894 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,1,0,0,0,0|2,0,0]=3 1895 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,1,0,0,0,0|2,0,0]=3 1896 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,1,0,0,0,0|2,0,0]=3 1897 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,1,0,0,0,0|3,0,0]=4 1898 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,1,0,0,0,0|2,0,1]=4 1899 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,1,0,0,0,0|2,0,1]=4 1900 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,1,0,0,0,0|2,0,1]=4 1901 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,1,0,0,0,0|2,0,1]=4 1902 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,1,0,0,0,0|2,0,1]=4 1903 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,1,0,0,0,0|2,0,1]=4 1904 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,1,0,0,0,0|2,0,1]=4 1905 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,1,0,0,0,0|2,0,1]=4 1906 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,1,0,0,0,0|2,0,0]=3 1907 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,1,0,0,0,0|2,0,0]=3 1908 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,1,0,0,0,0|2,0,0]=3 1909 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,1,0,0,0,0|2,0,0]=3 1910 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,1,0,0,0,0|2,0,0]=3 1911 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,1,0,0,0,0|2,0,0]=3 1912 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,1,0,0,0,0|2,0,0]=3 1913 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,1,0,0,0,0|2,0,0]=3 1914 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,1,0,0,0,0|2,0,0]=3 1915 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,1,0,0,0,0|2,0,0]=3 1916 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,1,0,0,0,0|2,0,0]=3 1917 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,1,0,0,0,0|2,0,0]=3 1918 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,1,0,0,0,0|3,0,0]=4 1919 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,1,0,0,0,0|3,0,0]=4 1920 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,1,0,0,0,0|3,0,0]=4 1921 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,1,0,0,0,0|3,0,0]=4 1922 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,1,0,0,0,0|3,0,0]=4 1923 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,1,0,0,0,0|2,0,0]=3 1924 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,1,0,0,0,0|2,0,0]=3 1925 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,1,0,0,0,0|2,1,0]=4 1926 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,1,0,0,0,0|2,1,0]=4 1927 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,1,0,0,0,0|2,1,0]=4 1928 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,1,0,0,0,0|2,1,0]=4 1929 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,1,0,0,0,0|2,1,0]=4 1930 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,1,0,0,0,0|2,1,0]=4 1931 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,1,0,0,0,0|2,1,0]=4 1932 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,1,0,0,0,0|2,1,0]=4 1933 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,1,0,0,0,0|2,0,0]=3 1934 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,1,0,0,0,0|2,0,0]=3 1935 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,1,0,0,0,0|2,0,0]=3 1936 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,1,0,0,0,0|2,0,0]=3 1937 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,1,0,0,0,0|2,0,0]=3 1938 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,1,0,0,0,0|1,0,0]=2 1939 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,1,0,0,0,0|2,0,0]=3 1940 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [0,1,0,0,0,0|2,0,1]=4 1941 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [0,1,0,0,0,0|2,0,1]=4 1942 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [0,1,0,0,0,0|2,0,1]=4 1943 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [0,1,0,0,0,0|2,0,1]=4 1944 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,1,0,0,0,0|2,0,0]=3 1945 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,1,0,0,0,0|2,0,0]=3 1946 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,1,0,0,0,0|2,0,0]=3 1947 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,1,0,0,0,0|2,0,0]=3 1948 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,1,0,0,0,0|2,0,0]=3 1949 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [0,1,0,0,0,0|3,0,0]=4 1950 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,1,0,0,0,0|2,0,0]=3 1951 B9R0.5 CCSCCC(=O)CC#N 1458a_100000230768_100011214920 [0,1,0,0,0,0|2,0,1]=4 1952 B9R0.5 CCSCCC(=O)CC#N 1458a_100051588842_100000757381 [0,1,0,0,0,0|2,0,1]=4 1953 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,1,0,0,0,0|2,0,0]=3 1954 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,1,0,0,0,0|2,0,0]=3 1955 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,1,0,0,0,0|2,0,0]=3 1956 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,1,0,0,0,0|2,0,0]=3 1957 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,1,0,0,0,0|2,0,0]=3 1958 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,1,0,0,0,0|3,0,0]=4 1959 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [0,1,0,0,0,0|2,0,0]=3 1960 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [0,1,0,0,0,0|2,0,0]=3 1961 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [0,1,0,0,0,0|2,0,0]=3 1962 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [0,1,0,0,0,0|2,0,0]=3 1963 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,1,0,0,0,0|1,0,0]=2 1964 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,1,0,0,0,0|1,0,0]=2 1965 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,1,0,0,0,0|1,0,0]=2 1966 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [0,1,0,0,0,0|3,0,0]=4 1967 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,1,0,0,0,0|3,0,0]=4 1968 B9R0.5 CNNC(=O)NCCCF 273464a_100015189416_100016993582 [0,1,0,0,0,0|3,0,0]=4 1969 B9R0.5 CNNC(=O)NCCCF 512a_100015189416_100016993582 [0,1,0,0,0,0|3,0,0]=4 1970 B9R0.5 CNNC(=O)NCCCF 512a_100016993582_100015189416 [0,1,0,0,0,0|3,0,0]=4 1971 B9R0.5 CNNC(=O)NCCCO 273464a_100000182051_100016993582 [0,1,0,0,0,0|3,0,0]=4 1972 B9R0.5 CNNC(=O)NCCCO 512a_100016993582_100000182051 [0,1,0,0,0,0|3,0,0]=4 1973 B9R0.5 CNNC(=O)NCCOC 273464a_100000209980_100016993582 [0,1,0,0,0,0|3,0,0]=4 1974 B9R0.5 CNNC(=O)NCCSC 273464a_100020590264_100016993582 [0,1,0,0,0,0|3,0,0]=4 1975 B9R0.5 CNNC(=O)NCCSC 512a_100016993582_100020590264 [0,1,0,0,0,0|3,0,0]=4 1976 B9R0.5 CNNC(=O)NCCSC 512a_100020590264_100016993582 [0,1,0,0,0,0|3,0,0]=4 1977 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [0,1,0,0,0,0|2,0,1]=4 1978 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,1,0,0,0,0|2,0,0]=3 1979 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,1,0,0,0,0|2,0,0]=3 1980 B9R0.5 COCC(=O)NCCC#N 11a_100000720768_100000210968 [0,1,0,0,0,0|2,0,1]=4 1981 B9R0.5 COCC(=O)NCCC#N 1626a_100000720768_100000210968 [0,1,0,0,0,0|2,0,1]=4 1982 B9R0.5 COCC(=O)NCCC#N 240690a_100000720768_100000210968 [0,1,0,0,0,0|2,0,1]=4 1983 B9R0.5 COCC(=O)NCCC#N 527a_100000720768_100000210968 [0,1,0,0,0,0|2,0,1]=4 1984 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,1,0,0,0,0|2,0,0]=3 1985 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,1,0,0,0,0|2,0,0]=3 1986 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,1,0,0,0,0|2,0,0]=3 1987 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,1,0,0,0,0|2,0,0]=3 1988 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,1,0,0,0,0|2,0,0]=3 1989 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,1,0,0,0,0|2,0,0]=3 1990 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,1,0,0,0,0|2,0,0]=3 1991 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,1,0,0,0,0|2,0,0]=3 1992 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,1,0,0,0,0|2,0,0]=3 1993 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,1,0,0,0,0|2,0,0]=3 1994 B9R0.5 COCC(=O)NNCCO 22a_100000210001_100000210968 [0,1,0,0,0,0|3,0,0]=4 1995 B9R0.5 COCC(C)OCCCBr 34a_100011217188_100000765312 [0,1,0,0,0,0|2,0,1]=4 1996 B9R0.5 COCC(C)OCCCCl 34a_100000230001_100000765312 [0,1,0,0,0,0|2,0,1]=4 1997 B9R0.5 COCC(C)OCCCF 34a_100000759539_100000765312 [0,1,0,0,0,0|2,0,1]=4 1998 B9R0.5 COCC(C)OCCCN 34a_100000182051_100000765312 [0,1,0,0,0,0|2,0,1]=4 1999 B9R0.5 COCC(C)OCCSC 34a_100000230434_100000765312 [0,1,0,0,0,0|2,0,1]=4 2000 B9R0.5 COCC(C)OCCSC 7a_100000230434_100000765312 [0,1,0,0,0,0|2,0,1]=4 2001 B9R0.5 COCC=CC(=O)CCF 1458a_100016285016_100011217306 [0,1,0,0,0,0|2,0,1]=4 2002 B9R0.5 COCC=CC(=O)CCO 1458a_100016285016_100000211926 [0,1,0,0,0,0|2,0,1]=4 2003 B9R0.5 COCCCC(=O)CC#N 1458a_100000741012_100011214920 [0,1,0,0,0,0|2,0,1]=4 2004 B9R0.5 COCCCC(=O)CC#N 1458a_100051588842_100000740836 [0,1,0,0,0,0|2,0,1]=4 2005 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,1,0,0,0,0|2,0,0]=3 2006 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,1,0,0,0,0|2,0,0]=3 2007 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,1,0,0,0,0|2,0,0]=3 2008 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,1,0,0,0,0|2,0,0]=3 2009 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,1,0,0,0,0|2,0,0]=3 2010 B9R0.5 COCCNC(=O)CC#N 1626a_100000209980_100051588842 [0,1,0,0,0,0|2,0,1]=4 2011 B9R0.5 COCCNC(=O)CC#N 240690a_100000209980_100051588842 [0,1,0,0,0,0|2,0,1]=4 2012 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,1,0,0,0,0|2,0,0]=3 2013 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [0,1,0,0,0,0|2,0,0]=3 2014 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,1,0,0,0,0|2,0,0]=3 2015 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,1,0,0,0,0|2,0,0]=3 2016 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,1,0,0,0,0|2,0,0]=3 2017 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,1,0,0,0,0|2,0,0]=3 2018 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [0,1,0,0,0,0|2,0,0]=3 2019 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [0,1,0,0,0,0|2,0,0]=3 2020 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [0,1,0,0,0,0|2,0,0]=3 2021 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [0,1,0,0,0,0|2,0,0]=3 2022 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [0,1,0,0,0,0|2,0,0]=3 2023 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [0,1,0,0,0,0|2,0,0]=3 2024 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [0,1,0,0,0,0|2,0,0]=3 2025 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,1,0,0,0,0|1,0,0]=2 2026 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,1,0,0,0,0|1,0,0]=2 2027 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,1,0,0,0,0|1,0,0]=2 2028 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,1,0,0,0,0|1,0,0]=2 2029 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,1,0,0,0,0|1,0,0]=2 2030 B9R0.5 COCCOC(C)CCBr 34a_100012276601_100011201679 [0,1,0,0,0,0|2,0,1]=4 2031 B9R0.5 COCCOC(C)CCO 34a_100000210237_100009893172 [0,1,0,0,0,0|2,0,1]=4 2032 B9R0.5 COCCOC(C)COC 34a_100000210237_100000765312 [0,1,0,0,0,0|2,0,1]=4 2033 B9R0.5 COCCO[C@H](C)COC 34a_100011934205_100011201679 [0,1,0,0,0,0|2,0,1]=4 2034 B9R0.5 COC[C@@H](C)OCCCF 34a_100011934205_100011934791 [0,1,0,0,0,0|2,0,1]=4 2035 B9R0.5 COC[C@@H](C)OCCCO 34a_100011934205_100000230001 [0,1,0,0,0,0|2,0,1]=4 2036 B9R0.5 COC[C@@H](C)OCCSC 34a_100011934205_100000212216 [0,1,0,0,0,0|2,0,1]=4 2037 B9R0.5 CSCC(=O)CCCC#N 1458a_100000184570_100000211468 [0,1,0,0,0,0|2,0,1]=4 2038 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,1,0,0,0,0|2,0,0]=3 2039 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,1,0,0,0,0|2,0,0]=3 2040 B9R0.5 CSCC(=O)NCCC#N 11a_100000720768_100000184570 [0,1,0,0,0,0|2,0,1]=4 2041 B9R0.5 CSCC(=O)NCCC#N 1626a_100000720768_100000184570 [0,1,0,0,0,0|2,0,1]=4 2042 B9R0.5 CSCC(=O)NCCC#N 240690a_100000720768_100000184570 [0,1,0,0,0,0|2,0,1]=4 2043 B9R0.5 CSCC(=O)NCCC#N 527a_100000720768_100000184570 [0,1,0,0,0,0|2,0,1]=4 2044 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [0,1,0,0,0,0|2,0,0]=3 2045 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [0,1,0,0,0,0|2,0,0]=3 2046 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [0,1,0,0,0,0|2,0,0]=3 2047 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [0,1,0,0,0,0|2,0,0]=3 2048 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [0,1,0,0,0,0|2,0,0]=3 2049 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [0,1,0,0,0,0|2,0,0]=3 2050 B9R0.5 CSCC(=O)NNCCO 22a_100000210001_100000184570 [0,1,0,0,0,0|3,0,0]=4 2051 B9R0.5 CSCCCC(=O)CC#N 1458a_100000173376_100011214920 [0,1,0,0,0,0|2,0,1]=4 2052 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,1,0,0,0,0|2,0,0]=3 2053 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,1,0,0,0,0|2,0,0]=3 2054 B9R0.5 CSCCNC(=O)CC#N 1626a_100020590264_100051588842 [0,1,0,0,0,0|2,0,1]=4 2055 B9R0.5 CSCCNC(=O)CC#N 240690a_100020590264_100051588842 [0,1,0,0,0,0|2,0,1]=4 2056 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [0,1,0,0,0,0|2,0,0]=3 2057 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [0,1,0,0,0,0|2,0,0]=3 2058 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [0,1,0,0,0,0|2,0,0]=3 2059 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [0,1,0,0,0,0|2,0,0]=3 2060 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [0,1,0,0,0,0|2,0,0]=3 2061 B9R0.5 CSCCOC(C)CCBr 34a_100012276601_100000212216 [0,1,0,0,0,0|2,0,1]=4 2062 B9R0.5 CSCCOC(C)CCO 34a_100000230434_100009893172 [0,1,0,0,0,0|2,0,1]=4 2063 B9R0.5 CSCCOC(C)CCO 7a_100000230434_100009893172 [0,1,0,0,0,0|2,0,1]=4 2064 B9R0.5 N#CCC(=O)CCCCF 1458a_100051588842_100000729493 [0,1,0,0,0,0|2,0,1]=4 2065 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [0,1,0,0,0,0|2,0,1]=4 2066 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [0,1,0,0,0,0|2,0,1]=4 2067 B9R0.5 N#CCC(=O)COCCO 1458a_100000708028_100011214920 [0,1,0,0,0,0|2,0,1]=4 2068 B9R0.5 N#CCC(=O)NCCCF 1626a_100015189416_100051588842 [0,1,0,0,0,0|2,0,1]=4 2069 B9R0.5 N#CCC(=O)NCCCF 240690a_100015189416_100051588842 [0,1,0,0,0,0|2,0,1]=4 2070 B9R0.5 N#CCC(=O)NCCCO 240690a_100000182051_100051588842 [0,1,0,0,0,0|2,0,1]=4 2071 B9R0.5 N#CCCCC(=O)CCF 1458a_100000075515_100011217306 [0,1,0,0,0,0|2,0,1]=4 2072 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [0,1,0,0,0,0|2,0,1]=4 2073 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [0,1,0,0,0,0|2,0,1]=4 2074 B9R0.5 N#CCCNC(=O)CCO 240690a_100000720768_100011216618 [0,1,0,0,0,0|2,0,1]=4 2075 B9R0.5 NCCOCC(=O)NCO 34a_100000210304_100000185155 [0,1,0,0,0,0|3,0,0]=4 2076 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,1,0,0,0,0|2,0,0]=3 2077 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [0,1,0,0,0,0|2,0,0]=3 2078 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,1,0,0,0,0|2,0,0]=3 2079 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,1,0,0,0,0|2,0,0]=3 2080 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,1,0,0,0,0|2,0,0]=3 2081 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [0,1,0,0,0,0|2,0,0]=3 2082 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [0,1,0,0,0,0|2,0,0]=3 2083 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,1,0,0,0,0|2,0,0]=3 2084 B9R0.5 O=C(CCO)NNCCO 22a_100000210001_100011216618 [0,1,0,0,0,0|3,0,0]=4 2085 B9R0.5 O=C(COCCBr)NCO 34a_100000211926_100000185155 [0,1,0,0,0,0|3,0,0]=4 2086 B9R0.8 C#CC(C)C(=O)CCCC 1458a_100000210183_200000035995 [0,1,0,0,0,0|1,0,2]=4 2087 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100000692101_100000758301 [0,1,0,0,0,0|1,0,2]=4 2088 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100011192722_100000753159 [0,1,0,0,0,0|1,0,2]=4 2089 B9R0.8 C#CCCC(=O)C(O)CC 1458a_100011196387_100000753159 [0,1,0,0,0,0|1,0,2]=4 2090 B9R0.8 C#CCNC(=O)C(C)CC 11a_100000212058_100011192722 [0,1,0,0,0,0|1,0,2]=4 2091 B9R0.8 C#CCNC(=O)C(C)CC 1626a_100000212058_100011192722 [0,1,0,0,0,0|1,0,2]=4 2092 B9R0.8 C#CCNC(=O)C(C)CC 240690a_100000212058_100011192722 [0,1,0,0,0,0|1,0,2]=4 2093 B9R0.8 C#CCNC(=O)C(C)CC 527a_100000212058_100011192722 [0,1,0,0,0,0|1,0,2]=4 2094 B9R0.8 C#CCNC(=O)C(O)CC 240690a_100000212058_100011196387 [0,1,0,0,0,0|1,0,2]=4 2095 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,1,0,0,0,0|1,0,2]=4 2096 B9R0.8 C/C=C(\C)/C(=O)NCCC 11a_100020643023_100020587367 [0,1,0,0,0,0|1,0,2]=4 2097 B9R0.8 C/C=C(\C)/C(=O)NCCC 1626a_100020643023_100020587367 [0,1,0,0,0,0|1,0,2]=4 2098 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [0,1,0,0,0,0|1,0,2]=4 2099 B9R0.8 C/C=C/CC(=O)C(O)CC 1458a_100011196387_100102629194 [0,1,0,0,0,0|1,0,2]=4 2100 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [0,1,0,0,0,0|1,0,2]=4 2101 B9R0.8 C=CC(C)C(=O)NCCC 11a_100020643023_100011216780 [0,1,0,0,0,0|1,0,2]=4 2102 B9R0.8 C=CC(C)C(=O)NCCC 1626a_100020643023_100011216780 [0,1,0,0,0,0|1,0,2]=4 2103 B9R0.8 C=CC(C)C(=O)NCCC 240690a_100020643023_100011216780 [0,1,0,0,0,0|1,0,2]=4 2104 B9R0.8 C=CC(C)C(=O)NCCC 527a_100020643023_100011216780 [0,1,0,0,0,0|1,0,2]=4 2105 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [0,1,0,0,0,0|1,0,2]=4 2106 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [0,1,0,0,0,0|1,0,2]=4 2107 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [0,1,0,0,0,0|1,0,2]=4 2108 B9R0.8 C=CCNC(=O)C(C)CC 1626a_100020586998_100011192722 [0,1,0,0,0,0|1,0,2]=4 2109 B9R0.8 C=CCNC(=O)C(C)CC 240690a_100020586998_100011192722 [0,1,0,0,0,0|1,0,2]=4 2110 B9R0.8 C=CCNC(=O)C(C)CC 527a_100020586998_100011192722 [0,1,0,0,0,0|1,0,2]=4 2111 B9R0.8 C=CCNC(=O)C(O)CC 240690a_100020586998_100011196387 [0,1,0,0,0,0|1,0,2]=4 2112 B9R0.8 CC#CCC(=O)C(C)CC 1458a_100011192722_100000748600 [0,1,0,0,0,0|1,0,2]=4 2113 B9R0.8 CC#CCC(=O)C(O)CC 1458a_100011196387_100000748600 [0,1,0,0,0,0|1,0,2]=4 2114 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [0,1,0,0,0,0|1,0,2]=4 2115 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [0,1,0,0,0,0|1,0,2]=4 2116 B9R0.8 CC=CCC(=O)C(O)CC 1458a_100011196387_100000070051 [0,1,0,0,0,0|1,0,2]=4 2117 B9R0.8 CC=NNC(=O)C(C)CC 4a_100000740736_200000210099 [0,1,0,0,0,0|2,0,1]=4 2118 B9R0.8 CCC#CC(=O)C(C)CC 1458a_100011827653_100000758301 [0,1,0,0,0,0|1,0,1]=3 2119 B9R0.8 CCC(C)C(=O)C#CCO 1458a_100000049017_100000758301 [0,1,0,0,0,0|2,0,1]=4 2120 B9R0.8 CCC(C)C(=O)C=COC 1458a_100016268678_100000758301 [0,1,0,0,0,0|2,0,1]=4 2121 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011192722_100011215226 [0,1,0,0,0,0|2,0,1]=4 2122 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011934036_100000758301 [0,1,0,0,0,0|2,0,1]=4 2123 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,1,0,0,0,0|2,0,0]=3 2124 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,1,0,0,0,0|2,0,0]=3 2125 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,1,0,0,0,0|2,0,0]=3 2126 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,1,0,0,0,0|2,0,0]=3 2127 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,1,0,0,0,0|2,0,0]=3 2128 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,1,0,0,0,0|2,0,0]=3 2129 B9R0.8 CCC(C)C(=O)NCC#N 1626a_100000734998_100011192722 [0,1,0,0,0,0|2,0,1]=4 2130 B9R0.8 CCC(C)C(=O)NCC#N 527a_100000734998_100011192722 [0,1,0,0,0,0|2,0,1]=4 2131 B9R0.8 CCC(C)C(=O)NCCF 11a_100000724931_100011192722 [0,1,0,0,0,0|2,0,0]=3 2132 B9R0.8 CCC(C)C(=O)NCCF 1626a_100000724931_100011192722 [0,1,0,0,0,0|2,0,0]=3 2133 B9R0.8 CCC(C)C(=O)NCCF 240690a_100000724931_100011192722 [0,1,0,0,0,0|2,0,0]=3 2134 B9R0.8 CCC(C)C(=O)NCCF 527a_100000724931_100011192722 [0,1,0,0,0,0|2,0,0]=3 2135 B9R0.8 CCC(C)C(=O)NCCO 240690a_100000210304_100011192722 [0,1,0,0,0,0|2,0,0]=3 2136 B9R0.8 CCC(C)C(=O)NCCO 527a_100000210304_100011192722 [0,1,0,0,0,0|2,0,0]=3 2137 B9R0.8 CCC(C)C(C)OCCF 7a_100011215189_100011217306 [0,1,0,0,0,0|2,0,1]=4 2138 B9R0.8 CCC(C)C(C)OCCO 7a_100011215189_100000211926 [0,1,0,0,0,0|2,0,1]=4 2139 B9R0.8 CCC(O)C(=O)CCC#N 1458a_100011196387_100011215226 [0,1,0,0,0,0|2,0,1]=4 2140 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,1,0,0,0,0|2,0,0]=3 2141 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,1,0,0,0,0|2,0,0]=3 2142 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,1,0,0,0,0|2,0,0]=3 2143 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,1,0,0,0,0|2,0,0]=3 2144 B9R0.8 CCC(O)C(=O)NCCF 240690a_100000724931_100011196387 [0,1,0,0,0,0|2,0,0]=3 2145 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [0,1,0,0,0,0|2,0,0]=3 2146 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,1,0,0,0,0|2,0,1]=4 2147 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [0,1,0,0,0,0|1,0,1]=3 2148 B9R0.8 CCC=CC(=O)N(C)CC 11a_100000225621_100000212282 [0,1,0,0,0,0|2,0,1]=4 2149 B9R0.8 CCC=CC(=O)N(C)CC 1626a_100000225621_100000212282 [0,1,0,0,0,0|2,0,1]=4 2150 B9R0.8 CCC=CC(=O)N(C)CC 240690a_100000225621_100000212282 [0,1,0,0,0,0|2,0,1]=4 2151 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,1,0,0,0,0|2,0,1]=4 2152 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000210183_100000703298 [0,1,0,0,0,0|2,0,1]=4 2153 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000753662_100000210211 [0,1,0,0,0,0|2,0,1]=4 2154 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,1,0,0,0,0|1,0,0]=2 2155 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,1,0,0,0,0|1,0,0]=2 2156 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,1,0,0,0,0|2,0,0]=3 2157 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [0,1,0,0,0,0|2,0,0]=3 2158 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,1,0,0,0,0|1,0,0]=2 2159 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,1,0,0,0,0|2,0,0]=3 2160 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,1,0,0,0,0|2,0,0]=3 2161 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,1,0,0,0,0|2,0,0]=3 2162 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,1,0,0,0,0|2,0,0]=3 2163 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,1,0,0,0,0|2,0,0]=3 2164 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207357_200000210301 [0,1,0,0,0,0|3,0,0]=4 2165 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207549_100000758301 [0,1,0,0,0,0|3,0,0]=4 2166 B9R0.8 CCCCN(C)C(C)CC 2230a_100000741768_100000210211 [0,1,0,0,0,0|3,0,0]=4 2167 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207357_200000210301 [0,1,0,0,0,0|3,0,0]=4 2168 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207549_100000758301 [0,1,0,0,0,0|3,0,0]=4 2169 B9R0.8 CCCCN(C)C(C)CC 269982a_100000741768_100000210211 [0,1,0,0,0,0|3,0,0]=4 2170 B9R0.8 CCCCN([13CH3])C(C)CC 2230a_100000207357_200025704644 [0,1,0,0,0,0|3,0,0]=4 2171 B9R0.8 CCCCN([13CH3])C(C)CC 269982a_100000207357_200025704644 [0,1,0,0,0,0|3,0,0]=4 2172 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,1,0,0,0,0|1,0,1]=3 2173 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,1,0,0,0,0|2,0,1]=4 2174 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,1,0,0,0,0|2,0,1]=4 2175 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,1,0,0,0,0|2,0,1]=4 2176 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,1,0,0,0,0|2,0,1]=4 2177 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,1,0,0,0,0|2,0,1]=4 2178 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,1,0,0,0,0|2,0,1]=4 2179 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,1,0,0,0,0|2,0,1]=4 2180 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 2181 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 2182 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 2183 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 2184 B9R0.8 CCCNC(=O)C(C)C#N 11a_100020643023_100000753662 [0,1,0,0,0,0|2,0,1]=4 2185 B9R0.8 CCCNC(=O)C(C)C#N 1626a_100020643023_100000753662 [0,1,0,0,0,0|2,0,1]=4 2186 B9R0.8 CCCNC(=O)C(C)C#N 240690a_100020643023_100000753662 [0,1,0,0,0,0|2,0,1]=4 2187 B9R0.8 CCCNC(=O)C(C)C#N 527a_100020643023_100000753662 [0,1,0,0,0,0|2,0,1]=4 2188 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,1,0,0,0,0|1,0,0]=2 2189 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,1,0,0,0,0|1,0,0]=2 2190 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,1,0,0,0,0|1,0,0]=2 2191 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,1,0,0,0,0|1,0,0]=2 2192 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [0,1,0,0,0,0|2,0,0]=3 2193 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [0,1,0,0,0,0|2,0,0]=3 2194 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [0,1,0,0,0,0|2,0,0]=3 2195 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [0,1,0,0,0,0|2,0,0]=3 2196 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [0,1,0,0,0,0|2,0,0]=3 2197 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [0,1,0,0,0,0|2,0,0]=3 2198 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [0,1,0,0,0,0|2,0,0]=3 2199 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [0,1,0,0,0,0|2,0,0]=3 2200 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [0,1,0,0,0,0|2,0,0]=3 2201 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [0,1,0,0,0,0|2,0,0]=3 2202 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [0,1,0,0,0,0|2,0,0]=3 2203 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [0,1,0,0,0,0|2,0,0]=3 2204 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [0,1,0,0,0,0|2,0,0]=3 2205 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [0,1,0,0,0,0|2,0,0]=3 2206 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [0,1,0,0,0,0|2,0,0]=3 2207 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [0,1,0,0,0,0|2,0,0]=3 2208 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [0,1,0,0,0,0|2,0,0]=3 2209 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [0,1,0,0,0,0|2,0,0]=3 2210 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [0,1,0,0,0,0|2,0,0]=3 2211 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [0,1,0,0,0,0|2,0,0]=3 2212 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,1,0,0,0,0|1,0,0]=2 2213 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [0,1,0,0,0,0|2,0,0]=3 2214 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [0,1,0,0,0,0|2,0,0]=3 2215 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [0,1,0,0,0,0|2,0,0]=3 2216 B9R0.8 CCCNC(C)C(C)CC 269862a_100020643023_100000210599 [0,1,0,0,0,0|2,0,1]=4 2217 B9R0.8 CCCNC(C)C(C)CC 270004a_100020643023_100000210599 [0,1,0,0,0,0|2,0,1]=4 2218 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [0,1,0,0,0,0|1,0,0]=2 2219 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [0,1,0,0,0,0|1,0,0]=2 2220 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [0,1,0,0,0,0|1,0,0]=2 2221 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,1,0,0,0,0|1,0,0]=2 2222 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,1,0,0,0,0|1,0,0]=2 2223 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,1,0,0,0,0|1,0,0]=2 2224 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,1,0,0,0,0|1,0,0]=2 2225 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,1,0,0,0,0|1,0,0]=2 2226 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,1,0,0,0,0|1,0,0]=2 2227 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,1,0,0,0,0|1,0,0]=2 2228 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,1,0,0,0,0|1,0,0]=2 2229 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,1,0,0,0,0|1,0,0]=2 2230 B9R0.8 CCCOC(C)C(C)CC 7a_100011215189_100000210303 [0,1,0,0,0,0|1,0,1]=3 2231 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [0,1,0,0,0,0|3,0,0]=4 2232 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [0,1,0,0,0,0|3,0,0]=4 2233 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [0,1,0,0,0,0|3,0,0]=4 2234 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [0,1,0,0,0,0|3,0,0]=4 2235 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,1,0,0,0,0|3,0,0]=4 2236 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,1,0,0,0,0|3,0,0]=4 2237 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,1,0,0,0,0|3,0,0]=4 2238 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,1,0,0,0,0|3,0,0]=4 2239 B9R0.8 CCN(C)C(=O)NCCF 273464a_100000724931_100000225621 [0,1,0,0,0,0|3,0,0]=4 2240 B9R0.8 CCN(C)C(=O)NCCO 273464a_100000210304_100000225621 [0,1,0,0,0,0|3,0,0]=4 2241 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [0,1,0,0,0,0|3,0,0]=4 2242 B9R0.8 CCNN=C(C)C(C)CC 4a_100000756455_100000210599 [0,1,0,0,0,0|3,0,0]=4 2243 B9R0.8 CCNNC(=O)C(C)CC 22a_100000756455_100011192722 [0,1,0,0,0,0|2,0,0]=3 2244 B9R0.8 CCNNC(=O)C(C)OC 22a_100000756455_100000743197 [0,1,0,0,0,0|3,0,0]=4 2245 B9R0.8 CCNNC(=O)C(C)SC 22a_100000756455_100000149566 [0,1,0,0,0,0|3,0,0]=4 2246 B9R0.8 CCNNC(=O)C(O)CC 22a_100000756455_100011196387 [0,1,0,0,0,0|2,0,0]=3 2247 B9R0.8 CCNNC(=O)C(O)CO 22a_100000756455_100011215603 [0,1,0,0,0,0|3,0,0]=4 2248 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,1,0,0,0,0|2,0,0]=3 2249 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,1,0,0,0,0|3,0,0]=4 2250 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,1,0,0,0,0|3,0,0]=4 2251 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,1,0,0,0,0|3,0,0]=4 2252 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,1,0,0,0,0|3,0,0]=4 2253 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,1,0,0,0,0|3,0,0]=4 2254 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [0,1,0,0,0,0|2,0,0]=3 2255 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [0,1,0,0,0,0|3,0,0]=4 2256 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [0,1,0,0,0,0|3,0,0]=4 2257 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [0,1,0,0,0,0|3,0,0]=4 2258 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [0,1,0,0,0,0|3,0,0]=4 2259 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [0,1,0,0,0,0|3,0,0]=4 2260 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [0,1,0,0,0,0|3,0,0]=4 2261 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [0,1,0,0,0,0|3,0,0]=4 2262 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [0,1,0,0,0,0|3,0,0]=4 2263 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,1,0,0,0,0|3,0,0]=4 2264 B9R0.8 COC(C)C(=O)NCCF 11a_100000724931_100000743197 [0,1,0,0,0,0|3,0,0]=4 2265 B9R0.8 COC(C)C(=O)NCCF 1626a_100000724931_100000743197 [0,1,0,0,0,0|3,0,0]=4 2266 B9R0.8 COC(C)C(=O)NCCF 240690a_100000724931_100000743197 [0,1,0,0,0,0|3,0,0]=4 2267 B9R0.8 COC(C)C(=O)NCCF 527a_100000724931_100000743197 [0,1,0,0,0,0|3,0,0]=4 2268 B9R0.8 COC(C)C(=O)NCCO 240690a_100000210304_100000743197 [0,1,0,0,0,0|3,0,0]=4 2269 B9R0.8 COC(C)C(=O)NCCO 527a_100000210304_100000743197 [0,1,0,0,0,0|3,0,0]=4 2270 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [0,1,0,0,0,0|3,0,0]=4 2271 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [0,1,0,0,0,0|3,0,0]=4 2272 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [0,1,0,0,0,0|3,0,0]=4 2273 B9R0.8 CSC(C)C(=O)CCCF 1458a_100000149566_100011934791 [0,1,0,0,0,0|3,0,0]=4 2274 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [0,1,0,0,0,0|3,0,0]=4 2275 B9R0.8 CSC(C)C(=O)NCCF 11a_100000724931_100000149566 [0,1,0,0,0,0|3,0,0]=4 2276 B9R0.8 CSC(C)C(=O)NCCF 1626a_100000724931_100000149566 [0,1,0,0,0,0|3,0,0]=4 2277 B9R0.8 CSC(C)C(=O)NCCF 240690a_100000724931_100000149566 [0,1,0,0,0,0|3,0,0]=4 2278 B9R0.8 CSC(C)C(=O)NCCF 527a_100000724931_100000149566 [0,1,0,0,0,0|3,0,0]=4 2279 B9R0.8 CSC(C)C(=O)NCCO 240690a_100000210304_100000149566 [0,1,0,0,0,0|3,0,0]=4 2280 B9R0.8 CSC(C)C(=O)NCCO 527a_100000210304_100000149566 [0,1,0,0,0,0|3,0,0]=4 2281 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [0,1,0,0,0,0|3,0,0]=4 2282 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,1,0,0,0,0|3,0,0]=4 2283 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [0,1,0,0,0,0|3,0,0]=4 2284 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,1,0,0,0,0|3,0,0]=4 2285 B9R0.8 O=C(NCCF)C(O)CO 240690a_100000724931_100011215603 [0,1,0,0,0,0|3,0,0]=4 2286 B9R0.8 O=C(NCCO)C(O)CO 240690a_100000210304_100011215603 [0,1,0,0,0,0|3,0,0]=4 2287 B9R0.18 C#CCCC(=O)C#CCC 1458a_100011827653_100000753159 [0,1,0,0,0,0|1,0,2]=4 2288 B9R0.18 C#CCCC(=O)C=CCC 1458a_100000212282_100000753159 [0,1,0,0,0,0|1,0,2]=4 2289 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [0,1,0,0,0,0|1,0,1]=3 2290 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [0,1,0,0,0,0|1,0,1]=3 2291 B9R0.18 C#CCCC(=O)CCCF 1458a_100000692101_100011934791 [0,1,0,0,0,0|1,0,2]=4 2292 B9R0.18 C#CCCC(=O)CCCO 1458a_100000692101_100011215043 [0,1,0,0,0,0|1,0,2]=4 2293 B9R0.18 C#CCCC(=O)CCOC 1458a_100000692101_100000233755 [0,1,0,0,0,0|1,0,2]=4 2294 B9R0.18 C#CCCC(=O)CCOC 1458a_100000749529_100000753159 [0,1,0,0,0,0|1,0,2]=4 2295 B9R0.18 C#CCCC(=O)CCOC 34a_100011064465_200000210301 [0,1,0,0,0,0|1,0,2]=4 2296 B9R0.18 C#CCCC(=O)CCOC 7a_100011064465_200000210301 [0,1,0,0,0,0|1,0,2]=4 2297 B9R0.18 C#CCCC(=O)CCO[13CH3] 34a_100011064465_200025704644 [0,1,0,0,0,0|1,0,2]=4 2298 B9R0.18 C#CCCC(=O)CCO[13CH3] 7a_100011064465_200025704644 [0,1,0,0,0,0|1,0,2]=4 2299 B9R0.18 C#CCCC(=O)CCSC 1458a_100000174002_100000753159 [0,1,0,0,0,0|1,0,2]=4 2300 B9R0.18 C#CCCC(=O)CCSC 1458a_100000692101_100000751147 [0,1,0,0,0,0|1,0,2]=4 2301 B9R0.18 C#CCCC(=O)COCC 1458a_100000211967_100000753159 [0,1,0,0,0,0|1,0,2]=4 2302 B9R0.18 C#CCCC(=O)CSCC 1458a_100000230394_100000753159 [0,1,0,0,0,0|1,0,2]=4 2303 B9R0.18 C#CCCC(=O)NCCC 11a_100020643023_100000692101 [0,1,0,0,0,0|1,0,1]=3 2304 B9R0.18 C#CCCC(=O)NCCC 1626a_100020643023_100000692101 [0,1,0,0,0,0|1,0,1]=3 2305 B9R0.18 C#CCCC(=O)NCCC 240690a_100020643023_100000692101 [0,1,0,0,0,0|1,0,1]=3 2306 B9R0.18 C#CCCC(=O)NCCC 527a_100020643023_100000692101 [0,1,0,0,0,0|1,0,1]=3 2307 B9R0.18 C#CCCC(=O)NCCF 11a_100000724931_100000692101 [0,1,0,0,0,0|2,0,1]=4 2308 B9R0.18 C#CCCC(=O)NCCF 1626a_100000724931_100000692101 [0,1,0,0,0,0|2,0,1]=4 2309 B9R0.18 C#CCCC(=O)NCCF 240690a_100000724931_100000692101 [0,1,0,0,0,0|2,0,1]=4 2310 B9R0.18 C#CCCC(=O)NCCF 527a_100000724931_100000692101 [0,1,0,0,0,0|2,0,1]=4 2311 B9R0.18 C#CCCC(=O)NCCO 240690a_100000210304_100000692101 [0,1,0,0,0,0|2,0,1]=4 2312 B9R0.18 C#CCCC(=O)NCCO 527a_100000210304_100000692101 [0,1,0,0,0,0|2,0,1]=4 2313 B9R0.18 C#CCCC(=O)NNCC 22a_100000756455_100000692101 [0,1,0,0,0,0|2,0,1]=4 2314 B9R0.18 C#CCNC(=O)CCCC 11a_100000212058_100000210183 [0,1,0,0,0,0|1,0,2]=4 2315 B9R0.18 C#CCNC(=O)CCCC 1626a_100000212058_100000210183 [0,1,0,0,0,0|1,0,2]=4 2316 B9R0.18 C#CCNC(=O)CCCC 240690a_100000212058_100000210183 [0,1,0,0,0,0|1,0,2]=4 2317 B9R0.18 C#CCNC(=O)CCCC 527a_100000212058_100000210183 [0,1,0,0,0,0|1,0,2]=4 2318 B9R0.18 C#CCNC(=O)CCOC 11a_100000212058_100000749529 [0,1,0,0,0,0|1,0,2]=4 2319 B9R0.18 C#CCNC(=O)CCOC 1626a_100000212058_100000749529 [0,1,0,0,0,0|1,0,2]=4 2320 B9R0.18 C#CCNC(=O)CCOC 240690a_100000212058_100000749529 [0,1,0,0,0,0|1,0,2]=4 2321 B9R0.18 C#CCNC(=O)CCOC 527a_100000212058_100000749529 [0,1,0,0,0,0|1,0,2]=4 2322 B9R0.18 C#CCNC(=O)CCSC 11a_100000212058_100000174002 [0,1,0,0,0,0|1,0,2]=4 2323 B9R0.18 C#CCNC(=O)CCSC 1626a_100000212058_100000174002 [0,1,0,0,0,0|1,0,2]=4 2324 B9R0.18 C#CCNC(=O)CCSC 240690a_100000212058_100000174002 [0,1,0,0,0,0|1,0,2]=4 2325 B9R0.18 C#CCNC(=O)CCSC 527a_100000212058_100000174002 [0,1,0,0,0,0|1,0,2]=4 2326 B9R0.18 C#CCNC(=O)CNCC 2230a_100000747989_100000210202 [0,1,0,0,0,0|1,0,2]=4 2327 B9R0.18 C#CCNC(=O)CNCC 34a_100000747989_100000210202 [0,1,0,0,0,0|1,0,2]=4 2328 B9R0.18 C#CCNC(=O)COCC 11a_100000212058_100000211967 [0,1,0,0,0,0|1,0,2]=4 2329 B9R0.18 C#CCNC(=O)COCC 1626a_100000212058_100000211967 [0,1,0,0,0,0|1,0,2]=4 2330 B9R0.18 C#CCNC(=O)COCC 240690a_100000212058_100000211967 [0,1,0,0,0,0|1,0,2]=4 2331 B9R0.18 C#CCNC(=O)COCC 527a_100000212058_100000211967 [0,1,0,0,0,0|1,0,2]=4 2332 B9R0.18 C#CCNC(=O)CSCC 11a_100000212058_100000230394 [0,1,0,0,0,0|1,0,2]=4 2333 B9R0.18 C#CCNC(=O)CSCC 1626a_100000212058_100000230394 [0,1,0,0,0,0|1,0,2]=4 2334 B9R0.18 C#CCNC(=O)CSCC 240690a_100000212058_100000230394 [0,1,0,0,0,0|1,0,2]=4 2335 B9R0.18 C#CCNC(=O)CSCC 527a_100000212058_100000230394 [0,1,0,0,0,0|1,0,2]=4 2336 B9R0.18 C#CCNC(=O)NCCC 2708a_100000212058_100020643023 [0,1,0,0,0,0|1,0,2]=4 2337 B9R0.18 C#CCNC(=O)NCCC 2708a_100020643023_100000212058 [0,1,0,0,0,0|1,0,2]=4 2338 B9R0.18 C#CCNC(=O)NCCC 273464a_100000212058_100020643023 [0,1,0,0,0,0|1,0,2]=4 2339 B9R0.18 C#CCNC(=O)NCCC 273464a_100020643023_100000212058 [0,1,0,0,0,0|1,0,2]=4 2340 B9R0.18 C#CCNC(=O)NCCC 512a_100000212058_100020643023 [0,1,0,0,0,0|1,0,2]=4 2341 B9R0.18 C#CCNC(=O)NCCC 512a_100020643023_100000212058 [0,1,0,0,0,0|1,0,2]=4 2342 B9R0.18 C/C=C/CC(=O)C#CCC 1458a_100011827653_100102629194 [0,1,0,0,0,0|1,0,2]=4 2343 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [0,1,0,0,0,0|1,0,2]=4 2344 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,1,0,0,0,0|1,0,1]=3 2345 B9R0.18 C/C=C/CC(=O)CCOC 1458a_100000749529_100102629194 [0,1,0,0,0,0|1,0,2]=4 2346 B9R0.18 C/C=C/CC(=O)CCSC 1458a_100000174002_100102629194 [0,1,0,0,0,0|1,0,2]=4 2347 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [0,1,0,0,0,0|1,0,2]=4 2348 B9R0.18 C/C=C/CC(=O)CSCC 1458a_100000230394_100102629194 [0,1,0,0,0,0|1,0,2]=4 2349 B9R0.18 C=C(COCC)OCOC 34a_100121572206_100000042856 [0,1,0,0,0,0|2,0,0]=3 2350 B9R0.18 C=C(CSCC)OCOC 62a_100000042856_100000210202 [0,1,0,0,0,0|2,0,0]=3 2351 B9R0.18 C=C(CSCC)OCOC 62a_100000210202_100000042856 [0,1,0,0,0,0|2,0,0]=3 2352 B9R0.18 C=C(CSCF)OCOC 62a_100000042856_100015361967 [0,1,0,0,0,0|3,0,0]=4 2353 B9R0.18 C=C(CSCF)OCOC 62a_100015361967_100000042856 [0,1,0,0,0,0|3,0,0]=4 2354 B9R0.18 C=CCCC(=O)C#CCC 1458a_100011827653_100000754431 [0,1,0,0,0,0|1,0,2]=4 2355 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [0,1,0,0,0,0|1,0,2]=4 2356 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,1,0,0,0,0|1,0,1]=3 2357 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,1,0,0,0,0|1,0,1]=3 2358 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [0,1,0,0,0,0|1,0,2]=4 2359 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [0,1,0,0,0,0|1,0,2]=4 2360 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [0,1,0,0,0,0|1,0,2]=4 2361 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [0,1,0,0,0,0|1,0,2]=4 2362 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [0,1,0,0,0,0|1,0,2]=4 2363 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [0,1,0,0,0,0|1,0,2]=4 2364 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [0,1,0,0,0,0|1,0,2]=4 2365 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [0,1,0,0,0,0|1,0,2]=4 2366 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [0,1,0,0,0,0|1,0,1]=3 2367 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [0,1,0,0,0,0|1,0,1]=3 2368 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [0,1,0,0,0,0|1,0,1]=3 2369 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [0,1,0,0,0,0|1,0,1]=3 2370 B9R0.18 C=CCCC(=O)NCCF 11a_100000724931_100000749702 [0,1,0,0,0,0|2,0,1]=4 2371 B9R0.18 C=CCCC(=O)NCCF 1626a_100000724931_100000749702 [0,1,0,0,0,0|2,0,1]=4 2372 B9R0.18 C=CCCC(=O)NCCF 240690a_100000724931_100000749702 [0,1,0,0,0,0|2,0,1]=4 2373 B9R0.18 C=CCCC(=O)NCCF 527a_100000724931_100000749702 [0,1,0,0,0,0|2,0,1]=4 2374 B9R0.18 C=CCCC(=O)NCCO 240690a_100000210304_100000749702 [0,1,0,0,0,0|2,0,1]=4 2375 B9R0.18 C=CCCC(=O)NCCO 527a_100000210304_100000749702 [0,1,0,0,0,0|2,0,1]=4 2376 B9R0.18 C=CCCC(=O)NNCC 22a_100000756455_100000749702 [0,1,0,0,0,0|2,0,1]=4 2377 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [0,1,0,0,0,0|1,0,2]=4 2378 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [0,1,0,0,0,0|1,0,2]=4 2379 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [0,1,0,0,0,0|1,0,2]=4 2380 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [0,1,0,0,0,0|1,0,2]=4 2381 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [0,1,0,0,0,0|1,0,2]=4 2382 B9R0.18 C=CCNC(=O)CCNC 2230a_106832991635_100011222895 [0,1,0,0,0,0|1,0,2]=4 2383 B9R0.18 C=CCNC(=O)CCNC 7a_106832991635_100011222895 [0,1,0,0,0,0|1,0,2]=4 2384 B9R0.18 C=CCNC(=O)CCOC 1626a_100020586998_100000749529 [0,1,0,0,0,0|1,0,2]=4 2385 B9R0.18 C=CCNC(=O)CCOC 240690a_100020586998_100000749529 [0,1,0,0,0,0|1,0,2]=4 2386 B9R0.18 C=CCNC(=O)CCOC 527a_100020586998_100000749529 [0,1,0,0,0,0|1,0,2]=4 2387 B9R0.18 C=CCNC(=O)CCSC 1626a_100020586998_100000174002 [0,1,0,0,0,0|1,0,2]=4 2388 B9R0.18 C=CCNC(=O)CCSC 240690a_100020586998_100000174002 [0,1,0,0,0,0|1,0,2]=4 2389 B9R0.18 C=CCNC(=O)CCSC 527a_100020586998_100000174002 [0,1,0,0,0,0|1,0,2]=4 2390 B9R0.18 C=CCNC(=O)CCSC 62a_100011222895_200000210301 [0,1,0,0,0,0|1,0,2]=4 2391 B9R0.18 C=CCNC(=O)CCSC 62a_200000210301_100011222895 [0,1,0,0,0,0|1,0,2]=4 2392 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_100011222895_200025704644 [0,1,0,0,0,0|1,0,2]=4 2393 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_200025704644_100011222895 [0,1,0,0,0,0|1,0,2]=4 2394 B9R0.18 C=CCNC(=O)CNCC 2230a_100015525214_100000183597 [0,1,0,0,0,0|1,0,2]=4 2395 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [0,1,0,0,0,0|1,0,2]=4 2396 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [0,1,0,0,0,0|1,0,2]=4 2397 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [0,1,0,0,0,0|1,0,2]=4 2398 B9R0.18 C=CCNC(=O)CSCC 1626a_100020586998_100000230394 [0,1,0,0,0,0|1,0,2]=4 2399 B9R0.18 C=CCNC(=O)CSCC 240690a_100020586998_100000230394 [0,1,0,0,0,0|1,0,2]=4 2400 B9R0.18 C=CCNC(=O)CSCC 527a_100020586998_100000230394 [0,1,0,0,0,0|1,0,2]=4 2401 B9R0.18 C=CCNC(=O)CSCC 62a_100000183597_100000210202 [0,1,0,0,0,0|1,0,2]=4 2402 B9R0.18 C=CCNC(=O)CSCC 62a_100000210202_100000183597 [0,1,0,0,0,0|1,0,2]=4 2403 B9R0.18 C=CCNC(=O)NCCC 2708a_100020643023_100020586998 [0,1,0,0,0,0|1,0,2]=4 2404 B9R0.18 C=CCNC(=O)NCCC 273464a_100020586998_100020643023 [0,1,0,0,0,0|1,0,2]=4 2405 B9R0.18 C=CCNC(=O)NCCC 273464a_100020643023_100020586998 [0,1,0,0,0,0|1,0,2]=4 2406 B9R0.18 C=CCNC(=O)NCCC 512a_100020586998_100020643023 [0,1,0,0,0,0|1,0,2]=4 2407 B9R0.18 C=CCNC(=O)NCCC 512a_100020643023_100020586998 [0,1,0,0,0,0|1,0,2]=4 2408 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,1,0,0,0,0|0,0,2]=3 2409 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,1,0,0,0,0|0,0,2]=3 2410 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [0,1,0,0,0,0|0,0,2]=3 2411 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [0,1,0,0,0,0|0,0,2]=3 2412 B9R0.18 C=CCOC(=O)CSCF 62a_100000033060_100015361967 [0,1,0,0,0,0|1,0,2]=4 2413 B9R0.18 C=CCOC(=O)CSCF 62a_100015361967_100000033060 [0,1,0,0,0,0|1,0,2]=4 2414 B9R0.18 CC#CCC(=O)C#CCC 1458a_100011827653_100000748600 [0,1,0,0,0,0|1,0,2]=4 2415 B9R0.18 CC#CCC(=O)C=CCC 1458a_100000212282_100000748600 [0,1,0,0,0,0|1,0,2]=4 2416 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [0,1,0,0,0,0|1,0,1]=3 2417 B9R0.18 CC#CCC(=O)CCOC 1458a_100000749529_100000748600 [0,1,0,0,0,0|1,0,2]=4 2418 B9R0.18 CC#CCC(=O)CCSC 1458a_100000174002_100000748600 [0,1,0,0,0,0|1,0,2]=4 2419 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [0,1,0,0,0,0|1,0,2]=4 2420 B9R0.18 CC#CCC(=O)CSCC 1458a_100000230394_100000748600 [0,1,0,0,0,0|1,0,2]=4 2421 B9R0.18 CC(CCCCl)OCCF 34a_200000718107_100011217306 [0,1,0,0,0,0|2,0,1]=4 2422 B9R0.18 CC(CCCCl)OCCF 7a_200000718107_100011217306 [0,1,0,0,0,0|2,0,1]=4 2423 B9R0.18 CC(CCCCl)OCCO 34a_200000718107_100000211926 [0,1,0,0,0,0|2,0,1]=4 2424 B9R0.18 CC(CCCCl)OCCO 7a_200000718107_100000211926 [0,1,0,0,0,0|2,0,1]=4 2425 B9R0.18 CC=CCC(=O)C#CCC 1458a_100011827653_100000070051 [0,1,0,0,0,0|1,0,2]=4 2426 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [0,1,0,0,0,0|1,0,2]=4 2427 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,1,0,0,0,0|1,0,1]=3 2428 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,1,0,0,0,0|1,0,1]=3 2429 B9R0.18 CC=CCC(=O)CCCF 1458a_100121576822_100011934791 [0,1,0,0,0,0|1,0,2]=4 2430 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [0,1,0,0,0,0|1,0,2]=4 2431 B9R0.18 CC=CCC(=O)CCOC 1458a_100000749529_100000070051 [0,1,0,0,0,0|1,0,2]=4 2432 B9R0.18 CC=CCC(=O)CCOC 1458a_100121576822_100000233755 [0,1,0,0,0,0|1,0,2]=4 2433 B9R0.18 CC=CCC(=O)CCSC 1458a_100000174002_100000070051 [0,1,0,0,0,0|1,0,2]=4 2434 B9R0.18 CC=CCC(=O)CCSC 1458a_100121576822_100000751147 [0,1,0,0,0,0|1,0,2]=4 2435 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [0,1,0,0,0,0|1,0,2]=4 2436 B9R0.18 CC=CCC(=O)CSCC 1458a_100000230394_100000070051 [0,1,0,0,0,0|1,0,2]=4 2437 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [0,1,0,0,0,0|1,0,1]=3 2438 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [0,1,0,0,0,0|1,0,1]=3 2439 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [0,1,0,0,0,0|1,0,1]=3 2440 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [0,1,0,0,0,0|1,0,1]=3 2441 B9R0.18 CC=CCC(=O)NCCF 11a_100000724931_100121576822 [0,1,0,0,0,0|2,0,1]=4 2442 B9R0.18 CC=CCC(=O)NCCF 1626a_100000724931_100121576822 [0,1,0,0,0,0|2,0,1]=4 2443 B9R0.18 CC=CCC(=O)NCCF 240690a_100000724931_100121576822 [0,1,0,0,0,0|2,0,1]=4 2444 B9R0.18 CC=CCC(=O)NCCF 527a_100000724931_100121576822 [0,1,0,0,0,0|2,0,1]=4 2445 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [0,1,0,0,0,0|2,0,1]=4 2446 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [0,1,0,0,0,0|2,0,1]=4 2447 B9R0.18 CC=CCC(=O)NNCC 22a_100000756455_100121576822 [0,1,0,0,0,0|2,0,1]=4 2448 B9R0.18 CC=NNC(=O)CCCC 4a_100000189769_200000210099 [0,1,0,0,0,0|2,0,1]=4 2449 B9R0.18 CC=NNC(=O)CCOC 4a_100011260505_200000210099 [0,1,0,0,0,0|2,0,1]=4 2450 B9R0.18 CC=NNC(=O)COCC 4a_100000216846_200000210099 [0,1,0,0,0,0|2,0,1]=4 2451 B9R0.18 CCC#CC(=O)CCC#N 1458a_100011827653_100011215226 [0,1,0,0,0,0|1,0,2]=4 2452 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [0,1,0,0,0,0|1,0,1]=3 2453 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [0,1,0,0,0,0|1,0,1]=3 2454 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [0,1,0,0,0,0|1,0,1]=3 2455 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [0,1,0,0,0,0|1,0,1]=3 2456 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [0,1,0,0,0,0|1,0,1]=3 2457 B9R0.18 CCC#CC(=O)NNCC 22a_100000756455_100011827653 [0,1,0,0,0,0|2,0,1]=4 2458 B9R0.18 CCC#CC(C)OCCC 34a_100000033903_100000210303 [0,1,0,0,0,0|1,0,2]=4 2459 B9R0.18 CCC#CC(C)OCCC 7a_100000033903_100000210303 [0,1,0,0,0,0|1,0,2]=4 2460 B9R0.18 CCC=CC(=O)CCC#N 1458a_100000212282_100011215226 [0,1,0,0,0,0|1,0,2]=4 2461 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,1,0,0,0,0|1,0,1]=3 2462 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [0,1,0,0,0,0|1,0,1]=3 2463 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,1,0,0,0,0|1,0,1]=3 2464 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [0,1,0,0,0,0|1,0,1]=3 2465 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [0,1,0,0,0,0|1,0,1]=3 2466 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [0,1,0,0,0,0|1,0,1]=3 2467 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [0,1,0,0,0,0|1,0,1]=3 2468 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [0,1,0,0,0,0|1,0,1]=3 2469 B9R0.18 CCC=CC(=O)NCCF 11a_100000724931_100000212282 [0,1,0,0,0,0|2,0,1]=4 2470 B9R0.18 CCC=CC(=O)NCCF 1626a_100000724931_100000212282 [0,1,0,0,0,0|2,0,1]=4 2471 B9R0.18 CCC=CC(=O)NCCF 240690a_100000724931_100000212282 [0,1,0,0,0,0|2,0,1]=4 2472 B9R0.18 CCC=CC(=O)NCCO 240690a_100000210304_100000212282 [0,1,0,0,0,0|2,0,1]=4 2473 B9R0.18 CCC=CC(=O)NNCC 22a_100000756455_100000212282 [0,1,0,0,0,0|2,0,1]=4 2474 B9R0.18 CCCCC(=NNCC)C 4a_100000756455_100000210087 [0,1,0,0,0,0|3,0,0]=4 2475 B9R0.18 CCCCC(=O)C#CCO 1458a_100000049017_100000210211 [0,1,0,0,0,0|1,0,2]=4 2476 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [0,1,0,0,0,0|1,0,2]=4 2477 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [0,1,0,0,0,0|1,0,1]=3 2478 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [0,1,0,0,0,0|1,0,1]=3 2479 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [0,1,0,0,0,0|1,0,0]=2 2480 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [0,1,0,0,0,0|1,0,0]=2 2481 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,1,0,0,0,0|1,0,0]=2 2482 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,1,0,0,0,0|1,0,0]=2 2483 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,1,0,0,0,0|1,0,0]=2 2484 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,1,0,0,0,0|1,0,0]=2 2485 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,1,0,0,0,0|1,0,0]=2 2486 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,1,0,0,0,0|1,0,0]=2 2487 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [0,1,0,0,0,0|1,0,0]=2 2488 B9R0.18 CCCCC(=O)NCC#N 1626a_100000734998_100000210183 [0,1,0,0,0,0|2,0,1]=4 2489 B9R0.18 CCCCC(=O)NCC#N 527a_100000734998_100000210183 [0,1,0,0,0,0|2,0,1]=4 2490 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [0,1,0,0,0,0|1,0,0]=2 2491 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [0,1,0,0,0,0|1,0,0]=2 2492 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [0,1,0,0,0,0|1,0,0]=2 2493 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [0,1,0,0,0,0|1,0,0]=2 2494 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [0,1,0,0,0,0|2,0,0]=3 2495 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [0,1,0,0,0,0|2,0,0]=3 2496 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [0,1,0,0,0,0|2,0,0]=3 2497 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [0,1,0,0,0,0|2,0,0]=3 2498 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [0,1,0,0,0,0|2,0,0]=3 2499 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [0,1,0,0,0,0|2,0,0]=3 2500 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [0,1,0,0,0,0|2,0,0]=3 2501 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [0,1,0,0,0,0|2,0,1]=4 2502 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [0,1,0,0,0,0|2,0,1]=4 2503 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [0,1,0,0,0,0|2,0,1]=4 2504 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [0,1,0,0,0,0|2,0,1]=4 2505 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [0,1,0,0,0,0|2,0,1]=4 2506 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [0,1,0,0,0,0|1,0,1]=3 2507 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [0,1,0,0,0,0|1,0,1]=3 2508 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [0,1,0,0,0,0|1,0,1]=3 2509 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [0,1,0,0,0,0|2,0,1]=4 2510 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [0,1,0,0,0,0|2,0,1]=4 2511 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [0,1,0,0,0,0|2,0,1]=4 2512 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [0,1,0,0,0,0|2,0,1]=4 2513 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [0,1,0,0,0,0|2,0,1]=4 2514 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [0,1,0,0,0,0|2,0,1]=4 2515 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [0,1,0,0,0,0|1,1,1]=4 2516 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [0,1,0,0,0,0|1,1,1]=4 2517 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [0,1,0,0,0,0|3,0,0]=4 2518 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [0,1,0,0,0,0|3,0,0]=4 2519 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [0,1,0,0,0,0|3,0,0]=4 2520 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [0,1,0,0,0,0|3,0,0]=4 2521 B9R0.18 CCCCN(C)CCCF 2230a_100000207549_100011934791 [0,1,0,0,0,0|3,0,0]=4 2522 B9R0.18 CCCCN(C)CCCF 269982a_100000207549_100011934791 [0,1,0,0,0,0|3,0,0]=4 2523 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [0,1,0,0,0,0|3,0,0]=4 2524 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [0,1,0,0,0,0|3,0,0]=4 2525 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [0,1,0,0,0,0|3,0,0]=4 2526 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [0,1,0,0,0,0|3,0,0]=4 2527 B9R0.18 CCCCN(C)CCOC 2230a_100000207391_200000210301 [0,1,0,0,0,0|3,0,0]=4 2528 B9R0.18 CCCCN(C)CCOC 2230a_100000207549_100011201679 [0,1,0,0,0,0|3,0,0]=4 2529 B9R0.18 CCCCN(C)CCOC 2230a_100000743101_100000210211 [0,1,0,0,0,0|3,0,0]=4 2530 B9R0.18 CCCCN(C)CCOC 269982a_100000207391_200000210301 [0,1,0,0,0,0|3,0,0]=4 2531 B9R0.18 CCCCN(C)CCOC 269982a_100000207549_100000233755 [0,1,0,0,0,0|3,0,0]=4 2532 B9R0.18 CCCCN(C)CCOC 269982a_100000743101_100000210211 [0,1,0,0,0,0|3,0,0]=4 2533 B9R0.18 CCCCN(C)CCSC 2230a_100000207549_100000751147 [0,1,0,0,0,0|3,0,0]=4 2534 B9R0.18 CCCCN(C)CCSC 2230a_100000686725_100000210211 [0,1,0,0,0,0|3,0,0]=4 2535 B9R0.18 CCCCN(C)CCSC 269982a_100000207549_100000212216 [0,1,0,0,0,0|3,0,0]=4 2536 B9R0.18 CCCCN(C)CCSC 269982a_100000686725_100000210211 [0,1,0,0,0,0|3,0,0]=4 2537 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [0,1,0,0,0,0|3,0,0]=4 2538 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [0,1,0,0,0,0|3,0,0]=4 2539 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [0,1,0,0,0,0|3,0,0]=4 2540 B9R0.18 CCCCN([13CH3])CCOC 2230a_100000207391_200025704644 [0,1,0,0,0,0|3,0,0]=4 2541 B9R0.18 CCCCN([13CH3])CCOC 269982a_100000207391_200025704644 [0,1,0,0,0,0|3,0,0]=4 2542 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [0,1,0,0,0,0|2,0,1]=4 2543 B9R0.18 CCCNC(=O)C=COC 1626a_100020643023_100016268678 [0,1,0,0,0,0|1,0,2]=4 2544 B9R0.18 CCCNC(=O)C=COC 240690a_100020643023_100016268678 [0,1,0,0,0,0|1,0,2]=4 2545 B9R0.18 CCCNC(=O)CCC#N 11a_100020643023_100011934036 [0,1,0,0,0,0|1,0,1]=3 2546 B9R0.18 CCCNC(=O)CCC#N 1626a_100020643023_100011934036 [0,1,0,0,0,0|1,0,1]=3 2547 B9R0.18 CCCNC(=O)CCC#N 240690a_100020643023_100011934036 [0,1,0,0,0,0|1,0,1]=3 2548 B9R0.18 CCCNC(=O)CCC#N 527a_100020643023_100011934036 [0,1,0,0,0,0|1,0,1]=3 2549 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [0,1,0,0,0,0|1,0,0]=2 2550 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [0,1,0,0,0,0|1,0,0]=2 2551 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [0,1,0,0,0,0|1,0,0]=2 2552 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [0,1,0,0,0,0|1,0,0]=2 2553 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [0,1,0,0,0,0|1,0,0]=2 2554 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [0,1,0,0,0,0|1,0,0]=2 2555 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [0,1,0,0,0,0|1,0,0]=2 2556 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [0,1,0,0,0,0|1,0,0]=2 2557 B9R0.18 CCCNC(=O)CN=[N+]=[N-] 11a_100020643023_100000751907 [0,1,0,0,0,0|3,0,0]=4 2558 B9R0.18 CCCNC(=O)CN=[N+]=[N-] 240690a_100020643023_100000751907 [0,1,0,0,0,0|3,0,0]=4 2559 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [0,1,0,0,0,0|1,0,0]=2 2560 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [0,1,0,0,0,0|1,0,0]=2 2561 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [0,1,0,0,0,0|1,0,0]=2 2562 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [0,1,0,0,0,0|1,0,0]=2 2563 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [0,1,0,0,0,0|1,0,0]=2 2564 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [0,1,0,0,0,0|1,0,0]=2 2565 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [0,1,0,0,0,0|1,0,0]=2 2566 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [0,1,0,0,0,0|1,0,0]=2 2567 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [0,1,0,0,0,0|1,0,0]=2 2568 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [0,1,0,0,0,0|1,0,0]=2 2569 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [0,1,0,0,0,0|1,0,0]=2 2570 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [0,1,0,0,0,0|1,0,0]=2 2571 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [0,1,0,0,0,0|1,0,0]=2 2572 B9R0.18 CCCNC(=O)CSCF 62a_100000183358_100015361967 [0,1,0,0,0,0|2,0,0]=3 2573 B9R0.18 CCCNC(=O)CSCF 62a_100015361967_100000183358 [0,1,0,0,0,0|2,0,0]=3 2574 B9R0.18 CCCNC(=O)NCC#N 2708a_100000734998_100020643023 [0,1,0,0,0,0|2,0,1]=4 2575 B9R0.18 CCCNC(=O)NCC#N 273464a_100000734998_100020643023 [0,1,0,0,0,0|2,0,1]=4 2576 B9R0.18 CCCNC(=O)NCC#N 273464a_100020643023_100000734998 [0,1,0,0,0,0|2,0,1]=4 2577 B9R0.18 CCCNC(=O)NCC#N 512a_100000734998_100020643023 [0,1,0,0,0,0|2,0,1]=4 2578 B9R0.18 CCCNC(=O)NCC#N 512a_100020643023_100000734998 [0,1,0,0,0,0|2,0,1]=4 2579 B9R0.18 CCCNC(=O)NCCC 2708a_100020643023_100020643023 [0,1,0,0,0,0|1,0,0]=2 2580 B9R0.18 CCCNC(=O)NCCC 273464a_100020643023_100020643023 [0,1,0,0,0,0|1,0,0]=2 2581 B9R0.18 CCCNC(=O)NCCC 512a_100020643023_100020643023 [0,1,0,0,0,0|1,0,0]=2 2582 B9R0.18 CCCNC(=O)NCCF 2708a_100020643023_100000724931 [0,1,0,0,0,0|2,0,0]=3 2583 B9R0.18 CCCNC(=O)NCCF 273464a_100000724931_100020643023 [0,1,0,0,0,0|2,0,0]=3 2584 B9R0.18 CCCNC(=O)NCCF 273464a_100020643023_100000724931 [0,1,0,0,0,0|2,0,0]=3 2585 B9R0.18 CCCNC(=O)NCCF 512a_100020643023_100000724931 [0,1,0,0,0,0|2,0,0]=3 2586 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [0,1,0,0,0,0|2,0,0]=3 2587 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [0,1,0,0,0,0|2,0,0]=3 2588 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [0,1,0,0,0,0|2,0,0]=3 2589 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [0,1,0,0,0,0|2,0,0]=3 2590 B9R0.18 CCCNC(=O)NNCC 273464a_100020643023_100000756455 [0,1,0,0,0,0|2,0,0]=3 2591 B9R0.18 CCCNC(=O)NNCC 512a_100000756455_100020643023 [0,1,0,0,0,0|2,0,0]=3 2592 B9R0.18 CCCNC(=O)NNCC 512a_100020643023_100000756455 [0,1,0,0,0,0|2,0,0]=3 2593 B9R0.18 CCCNC(C)CCOC 270004a_100020643023_100000742357 [0,1,0,0,0,0|2,0,1]=4 2594 B9R0.18 CCCNC(C)CCSC 270004a_100020643023_100011217047 [0,1,0,0,0,0|2,0,1]=4 2595 B9R0.18 CCCNC(C)CSCC 270004a_100020643023_200011216171 [0,1,0,0,0,0|2,0,1]=4 2596 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [0,1,0,0,0,0|0,0,0]=1 2597 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [0,1,0,0,0,0|0,0,0]=1 2598 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [0,1,0,0,0,0|0,0,0]=1 2599 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [0,1,0,0,0,0|0,0,0]=1 2600 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [0,1,0,0,0,0|1,0,0]=2 2601 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [0,1,0,0,0,0|1,0,0]=2 2602 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [0,1,0,0,0,0|1,0,0]=2 2603 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [0,1,0,0,0,0|1,0,0]=2 2604 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [0,1,0,0,0,0|1,0,0]=2 2605 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [0,1,0,0,0,0|1,0,0]=2 2606 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [0,1,0,0,0,0|1,0,0]=2 2607 B9R0.18 CCCOC(C)CCCCl 34a_200000718107_100000210303 [0,1,0,0,0,0|1,0,1]=3 2608 B9R0.18 CCCOC(C)CCCCl 7a_200000718107_100000210303 [0,1,0,0,0,0|1,0,1]=3 2609 B9R0.18 CCCOC(C)CNCC 2230a_100015185124_100000210202 [0,1,0,0,0,0|1,0,1]=3 2610 B9R0.18 CCCOC(C)CNCC 34a_100015185124_100000210202 [0,1,0,0,0,0|1,0,1]=3 2611 B9R0.18 CCCOC(C)CNCF 34a_100015185124_100015361967 [0,1,0,0,0,0|2,0,1]=4 2612 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [0,1,0,0,0,0|1,0,1]=3 2613 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [0,1,0,0,0,0|1,0,1]=3 2614 B9R0.18 CCNCC(=O)NCC#N 2230a_100015525214_100000736037 [0,1,0,0,0,0|2,0,1]=4 2615 B9R0.18 CCNCC(=O)NCCF 2230a_100000725713_100000210202 [0,1,0,0,0,0|2,0,0]=3 2616 B9R0.18 CCNN=C(C)CCCO 4a_100000756455_100000759063 [0,1,0,0,0,0|3,0,0]=4 2617 B9R0.18 CCNN=C(C)CCOC 4a_100000756455_100000742357 [0,1,0,0,0,0|3,0,0]=4 2618 B9R0.18 CCNN=C(C)CCSC 4a_100000756455_100011217047 [0,1,0,0,0,0|3,0,0]=4 2619 B9R0.18 CCNN=C(C)CSCC 4a_100000756455_200011216171 [0,1,0,0,0,0|3,0,0]=4 2620 B9R0.18 CCNNC(=O)CCC#N 22a_100000756455_100011934036 [0,1,0,0,0,0|2,0,1]=4 2621 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [0,1,0,0,0,0|2,0,0]=3 2622 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [0,1,0,0,0,0|2,0,0]=3 2623 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [0,1,0,0,0,0|2,0,0]=3 2624 B9R0.18 CCNNC(=O)CSCC 22a_100000756455_100000230394 [0,1,0,0,0,0|2,0,0]=3 2625 B9R0.18 CCNNC(=O)NCCF 273464a_100000724931_100000756455 [0,1,0,0,0,0|3,0,0]=4 2626 B9R0.18 CCNNC(=O)NCCF 512a_100000756455_100000724931 [0,1,0,0,0,0|3,0,0]=4 2627 B9R0.18 CCNNC(=O)NCCO 273464a_100000210304_100000756455 [0,1,0,0,0,0|3,0,0]=4 2628 B9R0.18 CCNNC(=O)NCCO 512a_100000756455_100000210304 [0,1,0,0,0,0|3,0,0]=4 2629 B9R0.18 CCNNC(=O)NNCC 512a_100000756455_100000756455 [0,1,0,0,0,0|3,0,0]=4 2630 B9R0.18 CCOCC(=O)CCC#N 1458a_100000211967_100011215226 [0,1,0,0,0,0|2,0,1]=4 2631 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [0,1,0,0,0,0|2,0,0]=3 2632 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [0,1,0,0,0,0|2,0,0]=3 2633 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [0,1,0,0,0,0|2,0,0]=3 2634 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [0,1,0,0,0,0|2,0,0]=3 2635 B9R0.18 CCOCC(=O)NCC#N 1626a_100000734998_100000211967 [0,1,0,0,0,0|2,0,1]=4 2636 B9R0.18 CCOCC(=O)NCC#N 527a_100000734998_100000211967 [0,1,0,0,0,0|2,0,1]=4 2637 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [0,1,0,0,0,0|2,0,0]=3 2638 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [0,1,0,0,0,0|2,0,0]=3 2639 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [0,1,0,0,0,0|2,0,0]=3 2640 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [0,1,0,0,0,0|2,0,0]=3 2641 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [0,1,0,0,0,0|2,0,0]=3 2642 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [0,1,0,0,0,0|2,0,0]=3 2643 B9R0.18 CCOCC(C)OCCF 34a_100000718985_100011217306 [0,1,0,0,0,0|2,0,1]=4 2644 B9R0.18 CCOCC(C)OCCF 7a_100000718985_100011217306 [0,1,0,0,0,0|2,0,1]=4 2645 B9R0.18 CCOCC(C)OCCO 34a_100000718985_100000211926 [0,1,0,0,0,0|2,0,1]=4 2646 B9R0.18 CCOCC(C)OCCO 7a_100000718985_100000211926 [0,1,0,0,0,0|2,0,1]=4 2647 B9R0.18 CCOCC(C)OCSC 34a_100000718985_100011218213 [0,1,0,0,0,0|2,0,1]=4 2648 B9R0.18 CCOC[C@@H](C)OCOC 34a_100016172286_100000210202 [0,1,0,0,0,0|2,0,1]=4 2649 B9R0.18 CCOC[C@@H](C)OCOC 7a_100016172286_100000210202 [0,1,0,0,0,0|2,0,1]=4 2650 B9R0.18 CCSCC(=O)CCC#N 1458a_100000230394_100011215226 [0,1,0,0,0,0|2,0,1]=4 2651 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [0,1,0,0,0,0|2,0,0]=3 2652 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [0,1,0,0,0,0|2,0,0]=3 2653 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [0,1,0,0,0,0|2,0,0]=3 2654 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [0,1,0,0,0,0|2,0,0]=3 2655 B9R0.18 CCSCC(=O)NCC#N 1626a_100000734998_100000230394 [0,1,0,0,0,0|2,0,1]=4 2656 B9R0.18 CCSCC(=O)NCC#N 527a_100000734998_100000230394 [0,1,0,0,0,0|2,0,1]=4 2657 B9R0.18 CCSCC(=O)NCC#N 62a_100000210202_100000736037 [0,1,0,0,0,0|2,0,1]=4 2658 B9R0.18 CCSCC(=O)NCC#N 62a_100000736037_100000210202 [0,1,0,0,0,0|2,0,1]=4 2659 B9R0.18 CCSCC(=O)NCCF 11a_100000724931_100000230394 [0,1,0,0,0,0|2,0,0]=3 2660 B9R0.18 CCSCC(=O)NCCF 1626a_100000724931_100000230394 [0,1,0,0,0,0|2,0,0]=3 2661 B9R0.18 CCSCC(=O)NCCF 240690a_100000724931_100000230394 [0,1,0,0,0,0|2,0,0]=3 2662 B9R0.18 CCSCC(=O)NCCF 527a_100000724931_100000230394 [0,1,0,0,0,0|2,0,0]=3 2663 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [0,1,0,0,0,0|2,0,0]=3 2664 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [0,1,0,0,0,0|2,0,0]=3 2665 B9R0.18 COC=CC(=O)CCCF 1458a_100016268678_100011934791 [0,1,0,0,0,0|2,0,1]=4 2666 B9R0.18 COC=CC(=O)CCCO 1458a_100016268678_100011215043 [0,1,0,0,0,0|2,0,1]=4 2667 B9R0.18 COC=CC(=O)CCOC 1458a_100016268678_100000233755 [0,1,0,0,0,0|2,0,1]=4 2668 B9R0.18 COC=CC(=O)CCSC 1458a_100016268678_100000751147 [0,1,0,0,0,0|2,0,1]=4 2669 B9R0.18 COCCC(=O)C#CCO 1458a_100000049017_100000233755 [0,1,0,0,0,0|2,0,1]=4 2670 B9R0.18 COCCC(=O)CCC#N 1458a_100000749529_100011215226 [0,1,0,0,0,0|2,0,1]=4 2671 B9R0.18 COCCC(=O)CCC#N 1458a_100011934036_100000233755 [0,1,0,0,0,0|2,0,1]=4 2672 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [0,1,0,0,0,0|2,0,0]=3 2673 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [0,1,0,0,0,0|2,0,0]=3 2674 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [0,1,0,0,0,0|2,0,0]=3 2675 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [0,1,0,0,0,0|2,0,0]=3 2676 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [0,1,0,0,0,0|2,0,0]=3 2677 B9R0.18 COCCC(=O)NCC#N 1626a_100000734998_100000749529 [0,1,0,0,0,0|2,0,1]=4 2678 B9R0.18 COCCC(=O)NCC#N 527a_100000734998_100000749529 [0,1,0,0,0,0|2,0,1]=4 2679 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [0,1,0,0,0,0|2,0,0]=3 2680 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [0,1,0,0,0,0|2,0,0]=3 2681 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [0,1,0,0,0,0|2,0,0]=3 2682 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [0,1,0,0,0,0|2,0,0]=3 2683 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [0,1,0,0,0,0|2,0,0]=3 2684 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [0,1,0,0,0,0|2,0,0]=3 2685 B9R0.18 CSCCC(=O)C#CCO 1458a_100000049017_100000751147 [0,1,0,0,0,0|2,0,1]=4 2686 B9R0.18 CSCCC(=O)CCC#N 1458a_100000174002_100011215226 [0,1,0,0,0,0|2,0,1]=4 2687 B9R0.18 CSCCC(=O)CCC#N 1458a_100011934036_100000751147 [0,1,0,0,0,0|2,0,1]=4 2688 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [0,1,0,0,0,0|2,0,0]=3 2689 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [0,1,0,0,0,0|2,0,0]=3 2690 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [0,1,0,0,0,0|2,0,0]=3 2691 B9R0.18 CSCCC(=O)NCC#N 1626a_100000734998_100000174002 [0,1,0,0,0,0|2,0,1]=4 2692 B9R0.18 CSCCC(=O)NCC#N 527a_100000734998_100000174002 [0,1,0,0,0,0|2,0,1]=4 2693 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [0,1,0,0,0,0|2,0,0]=3 2694 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [0,1,0,0,0,0|2,0,0]=3 2695 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [0,1,0,0,0,0|2,0,0]=3 2696 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [0,1,0,0,0,0|2,0,0]=3 2697 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [0,1,0,0,0,0|2,0,0]=3 2698 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [0,1,0,0,0,0|2,0,0]=3 2699 B9R0.18 CSCOC(C)CCCCl 34a_200000718107_100011218213 [0,1,0,0,0,0|2,0,1]=4 2700 B9R0.18 N#CCCC(=O)CCCF 1458a_100011934036_100011934791 [0,1,0,0,0,0|2,0,1]=4 2701 B9R0.18 N#CCCC(=O)CCCO 1458a_100011934036_100011215043 [0,1,0,0,0,0|2,0,1]=4 2702 B9R0.18 N#CCCC(=O)NCCF 11a_100000724931_100011934036 [0,1,0,0,0,0|2,0,1]=4 2703 B9R0.18 N#CCCC(=O)NCCF 1626a_100000724931_100011934036 [0,1,0,0,0,0|2,0,1]=4 2704 B9R0.18 N#CCCC(=O)NCCF 240690a_100000724931_100011934036 [0,1,0,0,0,0|2,0,1]=4 2705 B9R0.18 N#CCCC(=O)NCCF 527a_100000724931_100011934036 [0,1,0,0,0,0|2,0,1]=4 2706 B9R0.18 N#CCCC(=O)NCCO 240690a_100000210304_100011934036 [0,1,0,0,0,0|2,0,1]=4 2707 B9R0.18 N#CCCC(=O)NCCO 527a_100000210304_100011934036 [0,1,0,0,0,0|2,0,1]=4 2708 B9R0.18 O=C(C#CCO)CCCF 1458a_100000049017_100011934791 [0,1,0,0,0,0|2,0,1]=4 2709 B9R0.18 O=C(C#CCO)CCCO 1458a_100000049017_100011215043 [0,1,0,0,0,0|2,0,1]=4 2710 B9R0.18 O=C(NCCF)NCCF 273464a_100000724931_100000724931 [0,1,0,0,0,0|3,0,0]=4 2711 B9R0.18 O=C(NCCO)NCCF 273464a_100000210304_100000724931 [0,1,0,0,0,0|3,0,0]=4 2712 B9R0.18 O=C(NCCO)NCCF 273464a_100000724931_100000210304 [0,1,0,0,0,0|3,0,0]=4 2713 B9R0.18 O=C(NCCO)NCCO 273464a_100000210304_100000210304 [0,1,0,0,0,0|3,0,0]=4 2714 B9R0.34 C#CC(C)NC(=O)CCC 11a_100000707721_100000211992 [0,1,0,0,0,0|1,0,2]=4 2715 B9R0.34 C#CC(C)NC(=O)CCC 1626a_100000707721_100000211992 [0,1,0,0,0,0|1,0,2]=4 2716 B9R0.34 C#CC(C)NC(=O)CCC 240690a_100000707721_100000211992 [0,1,0,0,0,0|1,0,2]=4 2717 B9R0.34 C#CC(C)NC(=O)CCC 527a_100000707721_100000211992 [0,1,0,0,0,0|1,0,2]=4 2718 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100000708755_100000184674 [0,1,0,0,0,0|1,0,2]=4 2719 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100011220946_100000748023 [0,1,0,0,0,0|1,0,2]=4 2720 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011220946_100011218378 [0,1,0,0,0,0|1,0,2]=4 2721 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011667805_100000184674 [0,1,0,0,0,0|1,0,2]=4 2722 B9R0.34 C#CCC(=O)C[C@@H](C)CC 1458a_100011220946_100009816398 [0,1,0,0,0,0|1,0,2]=4 2723 B9R0.34 C#CCC(=O)NC(C)CC 1626a_100000209981_100011220946 [0,1,0,0,0,0|1,0,2]=4 2724 B9R0.34 C#CCC(=O)NC(C)CC 527a_100000209981_100011220946 [0,1,0,0,0,0|1,0,2]=4 2725 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,1,0,0,0,0|2,0,1]=4 2726 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,1,0,0,0,0|1,0,2]=4 2727 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000210193_100000748023 [0,1,0,0,0,0|1,0,2]=4 2728 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000708755_100000210623 [0,1,0,0,0,0|1,0,2]=4 2729 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100000210193_100011218378 [0,1,0,0,0,0|1,0,2]=4 2730 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100011667805_100000210623 [0,1,0,0,0,0|1,0,2]=4 2731 B9R0.34 C=CCC(=O)C[C@@H](C)CC 1458a_100000210193_100009816398 [0,1,0,0,0,0|1,0,2]=4 2732 B9R0.34 C=CCC(=O)NC(C)CC 11a_100000209981_100000210193 [0,1,0,0,0,0|1,0,2]=4 2733 B9R0.34 C=CCC(=O)NC(C)CC 1626a_100000209981_100000210193 [0,1,0,0,0,0|1,0,2]=4 2734 B9R0.34 C=CCC(=O)NC(C)CC 240690a_100000209981_100000210193 [0,1,0,0,0,0|1,0,2]=4 2735 B9R0.34 C=CCC(=O)NC(C)CC 527a_100000209981_100000210193 [0,1,0,0,0,0|1,0,2]=4 2736 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [0,1,0,0,0,0|1,0,2]=4 2737 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [0,1,0,0,0,0|1,0,2]=4 2738 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [0,1,0,0,0,0|1,0,2]=4 2739 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,1,0,0,0,0|1,0,2]=4 2740 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,1,0,0,0,0|1,0,2]=4 2741 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,1,0,0,0,0|1,0,2]=4 2742 B9R0.34 CC=CC(=O)NC(C)CC 11a_100000209981_100000210699 [0,1,0,0,0,0|1,0,2]=4 2743 B9R0.34 CC=CC(=O)NC(C)CC 1626a_100000209981_100000210699 [0,1,0,0,0,0|1,0,2]=4 2744 B9R0.34 CC=CC(=O)NC(C)CC 240690a_100000209981_100000210699 [0,1,0,0,0,0|1,0,2]=4 2745 B9R0.34 CCC(=CC(=O)CCF)C 1458a_100020758463_100011217306 [0,1,0,0,0,0|2,0,1]=4 2746 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [0,1,0,0,0,0|2,0,1]=4 2747 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,1,0,0,0,0|2,0,1]=4 2748 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,1,0,0,0,0|2,0,1]=4 2749 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,1,0,0,0,0|2,0,1]=4 2750 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100000708755_100011214920 [0,1,0,0,0,0|2,0,1]=4 2751 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100051588842_100000748023 [0,1,0,0,0,0|2,0,1]=4 2752 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [0,1,0,0,0,0|2,0,0]=3 2753 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,1,0,0,0,0|2,0,0]=3 2754 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,1,0,0,0,0|2,0,0]=3 2755 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,1,0,0,0,0|2,0,0]=3 2756 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [0,1,0,0,0,0|2,0,0]=3 2757 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [0,1,0,0,0,0|3,0,0]=4 2758 B9R0.34 CCC(C)NC(=O)CC#N 1626a_100000209981_100051588842 [0,1,0,0,0,0|2,0,1]=4 2759 B9R0.34 CCC(C)NC(=O)CC#N 240690a_100000209981_100051588842 [0,1,0,0,0,0|2,0,1]=4 2760 B9R0.34 CCC(C)NC(=O)CCO 240690a_100000209981_100011216618 [0,1,0,0,0,0|2,0,0]=3 2761 B9R0.34 CCC(C)NC(=O)CNC 2230a_106832991635_100000182745 [0,1,0,0,0,0|2,0,0]=3 2762 B9R0.34 CCC(C)NC(=O)CNC 34a_100102657272_100000182745 [0,1,0,0,0,0|2,0,0]=3 2763 B9R0.34 CCC(C)NC(=O)CNC 7a_106832991635_100000182745 [0,1,0,0,0,0|2,0,0]=3 2764 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [0,1,0,0,0,0|2,0,0]=3 2765 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [0,1,0,0,0,0|2,0,0]=3 2766 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [0,1,0,0,0,0|2,0,0]=3 2767 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [0,1,0,0,0,0|2,0,0]=3 2768 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [0,1,0,0,0,0|2,0,0]=3 2769 B9R0.34 CCC(C)NC(=O)CSC 11a_100000209981_100000184570 [0,1,0,0,0,0|2,0,0]=3 2770 B9R0.34 CCC(C)NC(=O)CSC 1626a_100000209981_100000184570 [0,1,0,0,0,0|2,0,0]=3 2771 B9R0.34 CCC(C)NC(=O)CSC 240690a_100000209981_100000184570 [0,1,0,0,0,0|2,0,0]=3 2772 B9R0.34 CCC(C)NC(=O)CSC 527a_100000209981_100000184570 [0,1,0,0,0,0|2,0,0]=3 2773 B9R0.34 CCC(C)NC(=O)CSC 62a_100000182745_200000210301 [0,1,0,0,0,0|2,0,0]=3 2774 B9R0.34 CCC(C)NC(=O)CSC 62a_200000210301_100000182745 [0,1,0,0,0,0|2,0,0]=3 2775 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_100000182745_200025704644 [0,1,0,0,0,0|2,0,0]=3 2776 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000182745 [0,1,0,0,0,0|2,0,0]=3 2777 B9R0.34 CCC(C)NC(=O)NNC 273464a_100000209981_100016993582 [0,1,0,0,0,0|3,0,0]=4 2778 B9R0.34 CCC(C)NC(=O)NNC 512a_100000209981_100016993582 [0,1,0,0,0,0|3,0,0]=4 2779 B9R0.34 CCC(C)NC(=O)NNC 512a_100016993582_100000209981 [0,1,0,0,0,0|3,0,0]=4 2780 B9R0.34 CCC(C)OC(C)CCBr 34a_100012276601_100011215416 [0,1,0,0,0,0|2,0,1]=4 2781 B9R0.34 CCC(C)OC(C)CCO 7a_100000210228_100009893172 [0,1,0,0,0,0|2,0,1]=4 2782 B9R0.34 CCC(C)OC(C)COC 7a_100000210228_100000765312 [0,1,0,0,0,0|2,0,1]=4 2783 B9R0.34 CCC(C)O[C@H](C)COC 34a_100011934205_100011215416 [0,1,0,0,0,0|2,0,1]=4 2784 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100011667805_100011214920 [0,1,0,0,0,0|2,0,1]=4 2785 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100051588842_100011218378 [0,1,0,0,0,0|2,0,1]=4 2786 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [0,1,0,0,0,0|2,0,0]=3 2787 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,1,0,0,0,0|2,0,0]=3 2788 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,1,0,0,0,0|2,0,0]=3 2789 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [0,1,0,0,0,0|2,0,0]=3 2790 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [0,1,0,0,0,0|2,0,0]=3 2791 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [0,1,0,0,0,0|3,0,0]=4 2792 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,1,0,0,0,0|2,0,1]=4 2793 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,1,0,0,0,0|1,0,1]=3 2794 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,0,0,0,0|1,0,1]=3 2795 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,0,0,0,0|1,0,1]=3 2796 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,1,0,0,0,0|2,0,1]=4 2797 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,1,0,0,0,0|2,0,1]=4 2798 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,1,0,0,0,0|2,0,1]=4 2799 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,1,0,0,0,0|2,0,1]=4 2800 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,1,0,0,0,0|1,0,0]=2 2801 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,1,0,0,0,0|1,0,0]=2 2802 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,1,0,0,0,0|1,0,0]=2 2803 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,1,0,0,0,0|1,0,0]=2 2804 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,1,0,0,0,0|2,0,0]=3 2805 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,1,0,0,0,0|2,0,0]=3 2806 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,1,0,0,0,0|2,0,0]=3 2807 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,1,0,0,0,0|1,0,0]=2 2808 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,1,0,0,0,0|2,0,0]=3 2809 B9R0.34 CCCC(=O)NC(C)C#N 11a_100000737613_100000211992 [0,1,0,0,0,0|2,0,1]=4 2810 B9R0.34 CCCC(=O)NC(C)C#N 1626a_100000737613_100000211992 [0,1,0,0,0,0|2,0,1]=4 2811 B9R0.34 CCCC(=O)NC(C)C#N 527a_100000737613_100000211992 [0,1,0,0,0,0|2,0,1]=4 2812 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,1,0,0,0,0|1,0,0]=2 2813 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,1,0,0,0,0|1,0,0]=2 2814 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,1,0,0,0,0|1,0,0]=2 2815 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,1,0,0,0,0|1,0,0]=2 2816 B9R0.34 CCCC(=O)N[C@H](C)CF 11a_100102880703_100000211992 [0,1,0,0,0,0|2,0,0]=3 2817 B9R0.34 CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211992 [0,1,0,0,0,0|2,0,0]=3 2818 B9R0.34 CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211992 [0,1,0,0,0,0|2,0,0]=3 2819 B9R0.34 CCCC(=O)N[C@H](C)CF 527a_100102880703_100000211992 [0,1,0,0,0,0|2,0,0]=3 2820 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [0,1,0,0,0,0|2,0,0]=3 2821 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [0,1,0,0,0,0|2,0,0]=3 2822 B9R0.34 CCCC(C)NC(C)CC 2230a_100000209981_100000766640 [0,1,0,0,0,0|2,0,1]=4 2823 B9R0.34 CCCC(C)NC(C)CC 2230a_100000741246_100000758301 [0,1,0,0,0,0|2,0,1]=4 2824 B9R0.34 CCCC(C)NC(C)CC 270004a_100000209981_100000211909 [0,1,0,0,0,0|2,0,1]=4 2825 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [0,1,0,0,0,0|1,0,1]=3 2826 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [0,1,0,0,0,0|1,0,1]=3 2827 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [0,1,0,0,0,0|1,0,1]=3 2828 B9R0.34 CCCC(C)OC(C)CF 34a_100016041109_100000766640 [0,1,0,0,0,0|2,0,1]=4 2829 B9R0.34 CCCC(C)OC(C)CF 7a_100016041109_100000766640 [0,1,0,0,0,0|2,0,1]=4 2830 B9R0.34 CCCC(C)OC(C)CN 34a_100000210904_100000766640 [0,1,0,0,0,0|2,0,1]=4 2831 B9R0.34 CCCC(C)OC(C)CO 34a_100000764384_100012180447 [0,1,0,0,0,0|2,0,1]=4 2832 B9R0.34 CCCC(C)OC(C)CO 7a_100000764384_100012180447 [0,1,0,0,0,0|2,0,1]=4 2833 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [0,1,0,0,0,0|1,1,1]=4 2834 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [0,1,0,0,0,0|1,1,1]=4 2835 B9R0.34 CCCN(C)CC(C)CC 2230a_100000747261_100000748023 [0,1,0,0,0,0|3,0,0]=4 2836 B9R0.34 CCCN(C)CC(C)CC 2230a_100000753921_100000210303 [0,1,0,0,0,0|3,0,0]=4 2837 B9R0.34 CCCN(C)CC(C)CC 269982a_100000747261_100000748023 [0,1,0,0,0,0|3,0,0]=4 2838 B9R0.34 CCCN(C)CC(C)CC 269982a_100000753921_100000210303 [0,1,0,0,0,0|3,0,0]=4 2839 B9R0.34 CCCN(C)CC(C)CC 270004a_100000747261_100000243153 [0,1,0,0,0,0|3,0,0]=4 2840 B9R0.34 CCCN(C)CC(O)CC 2230a_100000747261_100011218378 [0,1,0,0,0,0|3,0,0]=4 2841 B9R0.34 CCCN(C)CC(O)CC 269982a_100000747261_100011218378 [0,1,0,0,0,0|3,0,0]=4 2842 B9R0.34 CCCN(C)C[C@@H](C)CC 2230a_100000747261_100009816398 [0,1,0,0,0,0|3,0,0]=4 2843 B9R0.34 CCCN(C)C[C@@H](C)CC 269982a_100000747261_100009816398 [0,1,0,0,0,0|3,0,0]=4 2844 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,1,0,0,0,0|2,0,1]=4 2845 B9R0.34 CCN(C)CC(=O)CCF 1458a_100116209913_100011217306 [0,1,0,0,0,0|3,0,0]=4 2846 B9R0.34 CCN(C)CC(=O)CCO 1458a_100116209913_100000211926 [0,1,0,0,0,0|3,0,0]=4 2847 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [0,1,0,0,0,0|2,0,1]=4 2848 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [0,1,0,0,0,0|2,0,1]=4 2849 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,1,0,0,0,0|2,0,1]=4 2850 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,1,0,0,0,0|2,0,0]=3 2851 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,1,0,0,0,0|2,0,0]=3 2852 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,1,0,0,0,0|2,0,0]=3 2853 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,1,0,0,0,0|2,0,0]=3 2854 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [0,1,0,0,0,0|3,0,0]=4 2855 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [0,1,0,0,0,0|3,0,0]=4 2856 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [0,1,0,0,0,0|3,0,0]=4 2857 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [0,1,0,0,0,0|3,0,0]=4 2858 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [0,1,0,0,0,0|3,0,0]=4 2859 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [0,1,0,0,0,0|3,0,0]=4 2860 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [0,1,0,0,0,0|2,0,0]=3 2861 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [0,1,0,0,0,0|2,0,0]=3 2862 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [0,1,0,0,0,0|2,0,0]=3 2863 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [0,1,0,0,0,0|2,0,0]=3 2864 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [0,1,0,0,0,0|2,0,0]=3 2865 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [0,1,0,0,0,0|2,0,0]=3 2866 B9R0.34 CCNC(=O)N[C@H](C)CF 2708a_100015525214_100102880703 [0,1,0,0,0,0|3,0,0]=4 2867 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100015525214_100102880703 [0,1,0,0,0,0|3,0,0]=4 2868 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100102880703_100015525214 [0,1,0,0,0,0|3,0,0]=4 2869 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100015525214_100102880703 [0,1,0,0,0,0|3,0,0]=4 2870 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100102880703_100015525214 [0,1,0,0,0,0|3,0,0]=4 2871 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [0,1,0,0,0,0|3,0,0]=4 2872 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [0,1,0,0,0,0|3,0,0]=4 2873 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [0,1,0,0,0,0|3,0,0]=4 2874 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [0,1,0,0,0,0|3,0,0]=4 2875 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,1,0,0,0,0|2,0,1]=4 2876 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,1,0,0,0,0|2,0,1]=4 2877 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,1,0,0,0,0|3,0,0]=4 2878 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,1,0,0,0,0|3,0,0]=4 2879 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,1,0,0,0,0|3,0,0]=4 2880 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,1,0,0,0,0|3,0,0]=4 2881 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,1,0,0,0,0|3,0,0]=4 2882 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,1,0,0,0,0|3,0,0]=4 2883 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,1,0,0,0,0|3,0,0]=4 2884 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,1,0,0,0,0|3,0,0]=4 2885 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,1,0,0,0,0|3,0,0]=4 2886 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,1,0,0,0,0|3,0,0]=4 2887 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,1,0,0,0,0|3,0,0]=4 2888 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,1,0,0,0,0|3,0,0]=4 2889 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,1,0,0,0,0|3,0,0]=4 2890 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,1,0,0,0,0|3,0,0]=4 2891 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,1,0,0,0,0|3,0,0]=4 2892 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,1,0,0,0,0|2,0,0]=3 2893 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,1,0,0,0,0|2,0,0]=3 2894 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,1,0,0,0,0|2,0,0]=3 2895 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,1,0,0,0,0|2,0,0]=3 2896 B9R0.34 CC[C@H](C)CC(=O)CC#N 1458a_100051588842_100009816398 [0,1,0,0,0,0|2,0,1]=4 2897 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,1,0,0,0,0|2,0,0]=3 2898 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,1,0,0,0,0|2,0,0]=3 2899 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [0,1,0,0,0,0|2,0,0]=3 2900 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,1,0,0,0,0|3,0,0]=4 2901 B9R0.34 COCC(=O)N[C@H](C)CF 11a_100102880703_100000210968 [0,1,0,0,0,0|3,0,0]=4 2902 B9R0.34 COCC(=O)N[C@H](C)CF 1626a_100102880703_100000210968 [0,1,0,0,0,0|3,0,0]=4 2903 B9R0.34 COCC(=O)N[C@H](C)CF 240690a_100102880703_100000210968 [0,1,0,0,0,0|3,0,0]=4 2904 B9R0.34 COCC(=O)N[C@H](C)CF 527a_100102880703_100000210968 [0,1,0,0,0,0|3,0,0]=4 2905 B9R0.34 COCC(=O)N[C@H](C)CO 240690a_100000737577_100000210968 [0,1,0,0,0,0|3,0,0]=4 2906 B9R0.34 COCC(=O)N[C@H](C)CO 527a_100000737577_100000210968 [0,1,0,0,0,0|3,0,0]=4 2907 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [0,1,0,0,0,0|3,0,0]=4 2908 B9R0.34 CSCC(=O)N[C@H](C)CF 11a_100102880703_100000184570 [0,1,0,0,0,0|3,0,0]=4 2909 B9R0.34 CSCC(=O)N[C@H](C)CF 1626a_100102880703_100000184570 [0,1,0,0,0,0|3,0,0]=4 2910 B9R0.34 CSCC(=O)N[C@H](C)CF 240690a_100102880703_100000184570 [0,1,0,0,0,0|3,0,0]=4 2911 B9R0.34 CSCC(=O)N[C@H](C)CF 527a_100102880703_100000184570 [0,1,0,0,0,0|3,0,0]=4 2912 B9R0.34 CSCC(=O)N[C@H](C)CO 240690a_100000737577_100000184570 [0,1,0,0,0,0|3,0,0]=4 2913 B9R0.34 CSCC(=O)N[C@H](C)CO 527a_100000737577_100000184570 [0,1,0,0,0,0|3,0,0]=4 2914 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,1,0,0,0,0|3,0,0]=4 2915 B9R0.34 C[C@H](CF)NC(=O)CCO 240690a_100102880703_100011216618 [0,1,0,0,0,0|3,0,0]=4 2916 B9R0.34 C[C@H](CO)NC(=O)CCO 240690a_100000737577_100011216618 [0,1,0,0,0,0|3,0,0]=4 2917 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100000210906_100000184674 [0,1,0,0,0,0|1,0,2]=4 2918 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100011220946_100000766640 [0,1,0,0,0,0|1,0,2]=4 2919 B9R0.35 C#CCC(=O)N(C)CCC 1626a_100000747261_100011220946 [0,1,0,0,0,0|1,0,2]=4 2920 B9R0.35 C#CCC(=O)N(C)CCC 527a_100000747261_100011220946 [0,1,0,0,0,0|1,0,2]=4 2921 B9R0.35 C#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000184674 [0,1,0,0,0,0|1,0,2]=4 2922 B9R0.35 C#CCN(C)C(=O)CCC 11a_100000225692_100000211992 [0,1,0,0,0,0|1,0,2]=4 2923 B9R0.35 C#CCN(C)C(=O)CCC 1626a_100000225692_100000211992 [0,1,0,0,0,0|1,0,2]=4 2924 B9R0.35 C#CCN(C)C(=O)CCC 527a_100000225692_100000211992 [0,1,0,0,0,0|1,0,2]=4 2925 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,1,0,0,0,0|3,0,0]=4 2926 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,1,0,0,0,0|3,0,0]=4 2927 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,1,0,0,0,0|3,0,0]=4 2928 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,1,0,0,0,0|3,0,0]=4 2929 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,1,0,0,0,0|3,0,0]=4 2930 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,1,0,0,0,0|3,0,0]=4 2931 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,1,0,0,0,0|3,0,0]=4 2932 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210193_100000766640 [0,1,0,0,0,0|1,0,2]=4 2933 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210906_100000210623 [0,1,0,0,0,0|1,0,2]=4 2934 B9R0.35 C=CCC(=O)N(C)CCC 11a_100000747261_100000210193 [0,1,0,0,0,0|1,0,2]=4 2935 B9R0.35 C=CCC(=O)N(C)CCC 1626a_100000747261_100000210193 [0,1,0,0,0,0|1,0,2]=4 2936 B9R0.35 C=CCC(=O)N(C)CCC 240690a_100000747261_100000210193 [0,1,0,0,0,0|1,0,2]=4 2937 B9R0.35 C=CCC(=O)N(C)CCC 527a_100000747261_100000210193 [0,1,0,0,0,0|1,0,2]=4 2938 B9R0.35 C=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210623 [0,1,0,0,0,0|1,0,2]=4 2939 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [0,1,0,0,0,0|1,0,2]=4 2940 B9R0.35 C=CCN(C)C(=O)CCC 11a_100000225617_100000211992 [0,1,0,0,0,0|1,0,2]=4 2941 B9R0.35 C=CCN(C)C(=O)CCC 1626a_100000225617_100000211992 [0,1,0,0,0,0|1,0,2]=4 2942 B9R0.35 C=CCN(C)C(=O)CCC 240690a_100000225617_100000211992 [0,1,0,0,0,0|1,0,2]=4 2943 B9R0.35 C=CCN(C)C(=O)CCC 527a_100000225617_100000211992 [0,1,0,0,0,0|1,0,2]=4 2944 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [0,1,0,0,0,0|1,0,2]=4 2945 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [0,1,0,0,0,0|3,0,0]=4 2946 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,1,0,0,0,0|1,0,1]=3 2947 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,1,0,0,0,0|2,0,1]=4 2948 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,1,0,0,0,0|2,0,1]=4 2949 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,1,0,0,0,0|2,0,1]=4 2950 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,1,0,0,0,0|2,0,1]=4 2951 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,1,0,0,0,0|2,0,1]=4 2952 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,1,0,0,0,0|1,0,2]=4 2953 B9R0.35 CC=CC(=O)N(C)CCC 11a_100000747261_100000210699 [0,1,0,0,0,0|1,0,2]=4 2954 B9R0.35 CC=CC(=O)N(C)CCC 1626a_100000747261_100000210699 [0,1,0,0,0,0|1,0,2]=4 2955 B9R0.35 CC=CC(=O)N(C)CCC 240690a_100000747261_100000210699 [0,1,0,0,0,0|1,0,2]=4 2956 B9R0.35 CCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210303 [0,1,0,0,0,0|3,0,0]=4 2957 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,1,0,0,0,0|2,0,0]=3 2958 B9R0.35 CCCC(=O)C(C)CC#N 1458a_100000211992_100009813641 [0,1,0,0,0,0|2,0,1]=4 2959 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,1,0,0,0,0|1,0,0]=2 2960 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,1,0,0,0,0|1,0,0]=2 2961 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,1,0,0,0,0|2,0,0]=3 2962 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,1,0,0,0,0|2,0,0]=3 2963 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,1,0,0,0,0|2,0,0]=3 2964 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,1,0,0,0,0|2,0,0]=3 2965 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,1,0,0,0,0|2,0,0]=3 2966 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,1,0,0,0,0|2,0,0]=3 2967 B9R0.35 CCCC(=O)N(C)CC#N 11a_100000748184_100000211992 [0,1,0,0,0,0|2,0,1]=4 2968 B9R0.35 CCCC(=O)N(C)CC#N 1626a_100000748184_100000211992 [0,1,0,0,0,0|2,0,1]=4 2969 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,1,0,0,0,0|1,0,0]=2 2970 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,1,0,0,0,0|1,0,0]=2 2971 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,1,0,0,0,0|1,0,0]=2 2972 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,1,0,0,0,0|1,0,0]=2 2973 B9R0.35 CCCC(=O)N(C)CCO 240690a_100000210263_100000211992 [0,1,0,0,0,0|2,0,0]=3 2974 B9R0.35 CCCC(=O)N(C)CCO 527a_100000210263_100000211992 [0,1,0,0,0,0|2,0,0]=3 2975 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,1,0,0,0,0|1,0,0]=2 2976 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100000210906_100011214920 [0,1,0,0,0,0|2,0,1]=4 2977 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100051588842_100000766640 [0,1,0,0,0,0|2,0,1]=4 2978 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,1,0,0,0,0|2,0,0]=3 2979 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,1,0,0,0,0|2,0,0]=3 2980 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,1,0,0,0,0|2,0,0]=3 2981 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,1,0,0,0,0|2,0,0]=3 2982 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,1,0,0,0,0|2,0,0]=3 2983 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,1,0,0,0,0|2,0,0]=3 2984 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,1,0,0,0,0|2,0,0]=3 2985 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,1,0,0,0,0|2,0,0]=3 2986 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [0,1,0,0,0,0|3,0,0]=4 2987 B9R0.35 CCCC(C)N(C)CCC 2230a_100000747261_100000766640 [0,1,0,0,0,0|2,0,1]=4 2988 B9R0.35 CCCC(C)N(C)CCC 269982a_100000747261_100000766640 [0,1,0,0,0,0|2,0,1]=4 2989 B9R0.35 CCCC(C)N(C)CCC 270004a_100000747261_100000211909 [0,1,0,0,0,0|2,0,1]=4 2990 B9R0.35 CCCN(C)C(=O)CC#N 1626a_100000747261_100051588842 [0,1,0,0,0,0|2,0,1]=4 2991 B9R0.35 CCCN(C)C(=O)CC#N 240690a_100000747261_100051588842 [0,1,0,0,0,0|2,0,1]=4 2992 B9R0.35 CCCN(C)C(=O)CCO 240690a_100000747261_100011216618 [0,1,0,0,0,0|2,0,0]=3 2993 B9R0.35 CCCN(C)C(=O)COC 11a_100000747261_100000210968 [0,1,0,0,0,0|2,0,0]=3 2994 B9R0.35 CCCN(C)C(=O)COC 1626a_100000747261_100000210968 [0,1,0,0,0,0|2,0,0]=3 2995 B9R0.35 CCCN(C)C(=O)COC 240690a_100000747261_100000210968 [0,1,0,0,0,0|2,0,0]=3 2996 B9R0.35 CCCN(C)C(=O)COC 527a_100000747261_100000210968 [0,1,0,0,0,0|2,0,0]=3 2997 B9R0.35 CCCN(C)C(=O)CSC 11a_100000747261_100000184570 [0,1,0,0,0,0|2,0,0]=3 2998 B9R0.35 CCCN(C)C(=O)CSC 1626a_100000747261_100000184570 [0,1,0,0,0,0|2,0,0]=3 2999 B9R0.35 CCCN(C)C(=O)CSC 240690a_100000747261_100000184570 [0,1,0,0,0,0|2,0,0]=3 3000 B9R0.35 CCCN(C)C(=O)CSC 527a_100000747261_100000184570 [0,1,0,0,0,0|2,0,0]=3 3001 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,1,0,0,0,0|2,0,0]=3 3002 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,1,0,0,0,0|2,0,0]=3 3003 B9R0.35 CCC[C@H](O)C(=O)CC#N 1458a_100009822183_100011214920 [0,1,0,0,0,0|2,0,1]=4 3004 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,1,0,0,0,0|2,0,0]=3 3005 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,1,0,0,0,0|2,0,0]=3 3006 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,1,0,0,0,0|2,0,0]=3 3007 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [0,1,0,0,0,0|3,0,0]=4 3008 B9R0.35 CCNC(=O)C(=O)CCF 1458a_200011297158_100011217306 [0,1,0,0,0,0|3,0,0]=4 3009 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,1,0,0,0,0|3,0,0]=4 3010 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,1,0,0,0,0|3,0,0]=4 3011 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,1,0,0,0,0|3,0,0]=4 3012 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,1,0,0,0,0|3,0,0]=4 3013 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,1,0,0,0,0|3,0,0]=4 3014 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,1,0,0,0,0|3,0,0]=4 3015 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,1,0,0,0,0|3,0,0]=4 3016 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,1,0,0,0,0|3,0,0]=4 3017 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,1,0,0,0,0|3,0,0]=4 3018 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,1,0,0,0,0|3,0,0]=4 3019 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,1,0,0,0,0|3,0,0]=4 3020 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [0,1,0,0,0,0|3,0,0]=4 3021 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [0,1,0,0,0,0|3,0,0]=4 3022 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [0,1,0,0,0,0|3,0,0]=4 3023 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,1,0,0,0,0|3,0,0]=4 3024 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,1,0,0,0,0|3,0,0]=4 3025 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,1,0,0,0,0|3,0,0]=4 3026 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,1,0,0,0,0|3,0,0]=4 3027 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,1,0,0,0,0|3,0,0]=4 3028 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,1,0,0,0,0|3,0,0]=4 3029 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,1,0,0,0,0|3,0,0]=4 3030 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,1,0,0,0,0|3,0,0]=4 3031 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,1,0,0,0,0|3,0,0]=4 3032 B9R0.35 CCNC(=O)N(C)CCO 2708a_100015525214_100000210263 [0,1,0,0,0,0|3,0,0]=4 3033 B9R0.35 CCNC(=O)N(C)CCO 273464a_100015525214_100000210263 [0,1,0,0,0,0|3,0,0]=4 3034 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,1,0,0,0,0|3,0,0]=4 3035 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,1,0,0,0,0|3,0,0]=4 3036 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [0,1,0,0,0,0|3,0,0]=4 3037 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,1,0,0,0,0|3,0,0]=4 3038 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,1,0,0,0,0|3,0,0]=4 3039 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,1,0,0,0,0|3,0,0]=4 3040 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,1,0,0,0,0|3,0,0]=4 3041 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,1,0,0,0,0|3,0,0]=4 3042 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,1,0,0,0,0|3,0,0]=4 3043 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,1,0,0,0,0|3,0,0]=4 3044 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,1,0,0,0,0|3,0,0]=4 3045 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,1,0,0,0,0|3,0,0]=4 3046 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,1,0,0,0,0|3,0,0]=4 3047 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,1,0,0,0,0|3,0,0]=4 3048 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [0,1,0,0,0,0|3,0,0]=4 3049 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,1,0,0,0,0|3,0,0]=4 3050 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [0,1,0,0,0,0|3,0,0]=4 3051 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [0,1,0,0,0,0|3,0,0]=4 3052 B9R0.35 CN(CCO)C(=O)CCO 240690a_100000210263_100011216618 [0,1,0,0,0,0|3,0,0]=4 3053 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [0,1,0,0,0,0|3,0,0]=4 3054 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [0,1,0,0,0,0|3,0,0]=4 3055 B9R0.35 COCC(=O)N(C)CCO 240690a_100000210263_100000210968 [0,1,0,0,0,0|3,0,0]=4 3056 B9R0.35 COCC(=O)N(C)CCO 527a_100000210263_100000210968 [0,1,0,0,0,0|3,0,0]=4 3057 B9R0.35 COCC(C)C(=O)CCF 1458a_100000751857_100011217306 [0,1,0,0,0,0|3,0,0]=4 3058 B9R0.35 COCC(C)C(=O)CCO 1458a_100000751857_100000211926 [0,1,0,0,0,0|3,0,0]=4 3059 B9R0.35 COCC(C)C(=O)CCO 1458a_100011216618_100000765312 [0,1,0,0,0,0|3,0,0]=4 3060 B9R0.35 COCC(C)C(=O)CSC 1458a_100000184570_100000765312 [0,1,0,0,0,0|3,0,0]=4 3061 B9R0.35 CSCC(=O)C(C)CCO 1458a_100000184570_100009893172 [0,1,0,0,0,0|3,0,0]=4 3062 B9R0.35 CSCC(=O)N(C)CCO 240690a_100000210263_100000184570 [0,1,0,0,0,0|3,0,0]=4 3063 B9R0.35 CSCC(=O)N(C)CCO 527a_100000210263_100000184570 [0,1,0,0,0,0|3,0,0]=4 3064 B9R0.35 CSCC(C)C(=O)CCF 1458a_100000753918_100011217306 [0,1,0,0,0,0|3,0,0]=4 3065 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [0,1,0,0,0,0|3,0,0]=4 3066 B9R0.40 C#CC(CCC)OCCC 34a_200011217317_100000210303 [0,1,0,0,0,0|1,0,1]=3 3067 B9R0.40 C#CC(CCC)OCCC 7a_200011217317_100000210303 [0,1,0,0,0,0|1,0,1]=3 3068 B9R0.40 C#CC(CCC)OCCF 34a_200011217317_100011217306 [0,1,0,0,0,0|2,0,1]=4 3069 B9R0.40 C#CC(CCC)OCCF 7a_200011217317_100011217306 [0,1,0,0,0,0|2,0,1]=4 3070 B9R0.40 C#CC(CCC)OCCO 34a_200011217317_100000211926 [0,1,0,0,0,0|2,0,1]=4 3071 B9R0.40 C#CC(CCC)OCCO 7a_200011217317_100000211926 [0,1,0,0,0,0|2,0,1]=4 3072 B9R0.40 C#CC(CCC)OCSC 34a_200011217317_100011218213 [0,1,0,0,0,0|2,0,1]=4 3073 B9R0.40 C=CC(=NNCC)CCC 4a_100000756455_200011215120 [0,1,0,0,0,0|3,0,0]=4 3074 B9R0.40 C=CC(CCC)OCCC 34a_100011216692_100000210303 [0,1,0,0,0,0|1,0,1]=3 3075 B9R0.40 C=CC(CCC)OCCC 7a_100011216692_100000210303 [0,1,0,0,0,0|1,0,1]=3 3076 B9R0.40 C=CC(CCC)OCCF 34a_100011216692_100011217306 [0,1,0,0,0,0|2,0,1]=4 3077 B9R0.40 C=CC(CCC)OCCF 7a_100011216692_100011217306 [0,1,0,0,0,0|2,0,1]=4 3078 B9R0.40 C=CC(CCC)OCCO 34a_100011216692_100000211926 [0,1,0,0,0,0|2,0,1]=4 3079 B9R0.40 C=CC(CCC)OCCO 7a_100011216692_100000211926 [0,1,0,0,0,0|2,0,1]=4 3080 B9R0.40 C=CC(CCC)OCSC 34a_100011216692_100011218213 [0,1,0,0,0,0|2,0,1]=4 3081 B9R0.40 CCC/C=C(\CC)/CNC 269862a_106832991636_100020616858 [0,1,0,0,0,0|3,0,0]=4 3082 B9R0.40 CCC/C=C(\CC)/COC 34a_200015372368_200000210301 [0,1,0,0,0,0|3,0,0]=4 3083 B9R0.40 CCC/C=C(\CC)/COC 7a_200015372368_200000210301 [0,1,0,0,0,0|3,0,0]=4 3084 B9R0.40 CCC/C=C(\CC)/CO[13CH3] 34a_200015372368_200025704644 [0,1,0,0,0,0|3,0,0]=4 3085 B9R0.40 CCC/C=C(\CC)/CO[13CH3] 7a_200015372368_200025704644 [0,1,0,0,0,0|3,0,0]=4 3086 B9R0.40 CCCC(=NNCC)CC 4a_100000756455_100000687865 [0,1,0,0,0,0|3,0,0]=4 3087 B9R0.40 CCCC(C#N)OCCF 34a_100000686963_100011217306 [0,1,0,0,0,0|2,0,1]=4 3088 B9R0.40 CCCC(C#N)OCCF 7a_100000686963_100011217306 [0,1,0,0,0,0|2,0,1]=4 3089 B9R0.40 CCCC(C#N)OCCO 34a_100000686963_100000211926 [0,1,0,0,0,0|2,0,1]=4 3090 B9R0.40 CCCC(C#N)OCCO 7a_100000686963_100000211926 [0,1,0,0,0,0|2,0,1]=4 3091 B9R0.40 CCCC(C#N)OCSC 34a_100000686963_100011218213 [0,1,0,0,0,0|2,0,1]=4 3092 B9R0.40 CCCC(CC)OCCF 34a_100000687864_100011217306 [0,1,0,0,0,0|2,0,1]=4 3093 B9R0.40 CCCC(CC)OCCF 7a_100000687864_100011217306 [0,1,0,0,0,0|2,0,1]=4 3094 B9R0.40 CCCC(CC)OCCO 34a_100000687864_100000211926 [0,1,0,0,0,0|2,0,1]=4 3095 B9R0.40 CCCC(CC)OCCO 7a_100000687864_100000211926 [0,1,0,0,0,0|2,0,1]=4 3096 B9R0.40 CCCC(CC)OCSC 34a_100000687864_100011218213 [0,1,0,0,0,0|2,0,1]=4 3097 B9R0.40 CCCCC(CCC)NC 34a_100102657272_100000211913 [0,1,0,0,0,0|2,0,1]=4 3098 B9R0.40 CCCCC(CCC)NC 7a_106832991635_100000211913 [0,1,0,0,0,0|2,0,1]=4 3099 B9R0.40 CCCCC(CCC)OC 34a_100011215800_200000210301 [0,1,0,0,0,0|1,0,2]=4 3100 B9R0.40 CCCCC(CCC)OC 34a_100138415774_100000211913 [0,1,0,0,0,0|1,0,2]=4 3101 B9R0.40 CCCCC(CCC)OC 7a_100011215800_200000210301 [0,1,0,0,0,0|1,0,2]=4 3102 B9R0.40 CCCCC(CCC)O[13CH3] 34a_100011215800_200025704644 [0,1,0,0,0,0|1,0,2]=4 3103 B9R0.40 CCCCC(CCC)O[13CH3] 7a_100011215800_200025704644 [0,1,0,0,0,0|1,0,2]=4 3104 B9R0.40 CCCCC(CCC)SC 62a_100000211913_200000210301 [0,1,0,0,0,0|1,1,1]=4 3105 B9R0.40 CCCCC(CCC)SC 62a_200000210301_100000211913 [0,1,0,0,0,0|1,1,1]=4 3106 B9R0.40 CCCCC(CCC)S[13CH3] 62a_100000211913_200025704644 [0,1,0,0,0,0|1,1,1]=4 3107 B9R0.40 CCCCC(CCC)S[13CH3] 62a_200025704644_100000211913 [0,1,0,0,0,0|1,1,1]=4 3108 B9R0.40 CCCCN(CC)CCC 2230a_100000207695_100000210303 [0,1,0,0,0,0|3,0,0]=4 3109 B9R0.40 CCCCN(CC)CCC 2230a_100000226822_100000210211 [0,1,0,0,0,0|3,0,0]=4 3110 B9R0.40 CCCCN(CC)CCC 2230a_200000207744_100000210202 [0,1,0,0,0,0|3,0,0]=4 3111 B9R0.40 CCCCN(CC)CCC 269982a_100000207695_100000210303 [0,1,0,0,0,0|3,0,0]=4 3112 B9R0.40 CCCCN(CC)CCC 269982a_100000226822_100000210211 [0,1,0,0,0,0|3,0,0]=4 3113 B9R0.40 CCCCN(CC)CCC 269982a_200000207744_100000204670 [0,1,0,0,0,0|3,0,0]=4 3114 B9R0.40 CCCCN(CF)CCC 269982a_200000207744_100015361967 [0,1,0,0,0,0|3,0,0]=4 3115 B9R0.40 CCCNC(CC)CCC 2230a_100000747048_100000210303 [0,1,0,0,0,0|2,0,1]=4 3116 B9R0.40 CCCNC(CC)CCC 270004a_100020643023_100000687865 [0,1,0,0,0,0|2,0,1]=4 3117 B9R0.40 CCCN[C@H](CO)CCC 2230a_100000732646_100000210303 [0,1,0,0,0,0|1,0,2]=4 3118 B9R0.40 CCCN[C@H](CO)CCC 34a_100000732646_100000210303 [0,1,0,0,0,0|1,0,2]=4 3119 B9R0.40 CCCOC(C#N)CCC 34a_100000686963_100000210303 [0,1,0,0,0,0|1,0,1]=3 3120 B9R0.40 CCCOC(C#N)CCC 7a_100000686963_100000210303 [0,1,0,0,0,0|1,0,1]=3 3121 B9R0.40 CCCOC(CC)CCC 34a_100000687864_100000210303 [0,1,0,0,0,0|1,0,1]=3 3122 B9R0.40 CCCOC(CC)CCC 7a_100000687864_100000210303 [0,1,0,0,0,0|1,0,1]=3 3123 B9R0.40 CCCOC(CC)COC 7a_200011214946_100000210303 [0,1,0,0,0,0|2,0,1]=4 3124 B9R0.40 CCCOC(CCl)COC 34a_100011215053_100000210303 [0,1,0,0,0,0|2,0,1]=4 3125 B9R0.40 CCCOC(CN)COC 34a_100000756049_100000210303 [0,1,0,0,0,0|2,0,1]=4 3126 B9R0.40 CCCSC(CC)CCC 62a_100000210303_100011219200 [0,1,0,0,0,0|1,1,1]=4 3127 B9R0.40 CCCSC(CC)CCC 62a_100011219200_100000210303 [0,1,0,0,0,0|1,1,1]=4 3128 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100000181311_100000184674 [0,1,0,0,0,0|1,0,2]=4 3129 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100011220946_100000210312 [0,1,0,0,0,0|1,0,2]=4 3130 B9R0.48 C#CCC(=O)CCC(C)O 1458a_100011220946_100012276601 [0,1,0,0,0,0|1,0,2]=4 3131 B9R0.48 C#CCC(=O)NCC(C)C 1626a_100000210953_100011220946 [0,1,0,0,0,0|1,0,2]=4 3132 B9R0.48 C#CCC(=O)NCC(C)C 527a_100000210953_100011220946 [0,1,0,0,0,0|1,0,2]=4 3133 B9R0.48 C#CCC(=O)NCC(C)O 527a_100000210904_100011220946 [0,1,0,0,0,0|1,0,2]=4 3134 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,1,0,0,0,0|1,0,1]=3 3135 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,1,0,0,0,0|1,0,1]=3 3136 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,1,0,0,0,0|2,0,1]=4 3137 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,1,0,0,0,0|2,0,1]=4 3138 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,1,0,0,0,0|2,0,1]=4 3139 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,1,0,0,0,0|2,0,1]=4 3140 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,1,0,0,0,0|2,0,1]=4 3141 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,1,0,0,0,0|2,0,1]=4 3142 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,1,0,0,0,0|2,0,1]=4 3143 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,1,0,0,0,0|2,0,1]=4 3144 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,1,0,0,0,0|1,0,1]=3 3145 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,1,0,0,0,0|1,0,1]=3 3146 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,1,0,0,0,0|1,0,1]=3 3147 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,1,0,0,0,0|1,0,1]=3 3148 B9R0.48 C=C(C)CNC(=O)CCO 240690a_100000765925_100011216618 [0,1,0,0,0,0|2,0,1]=4 3149 B9R0.48 C=C(C)CNC(=O)COC 11a_100000765925_100000210968 [0,1,0,0,0,0|2,0,1]=4 3150 B9R0.48 C=C(C)CNC(=O)COC 1626a_100000765925_100000210968 [0,1,0,0,0,0|2,0,1]=4 3151 B9R0.48 C=C(C)CNC(=O)COC 240690a_100000765925_100000210968 [0,1,0,0,0,0|2,0,1]=4 3152 B9R0.48 C=C(C)CNC(=O)COC 527a_100000765925_100000210968 [0,1,0,0,0,0|2,0,1]=4 3153 B9R0.48 C=C(C)CNC(=O)CSC 11a_100000765925_100000184570 [0,1,0,0,0,0|2,0,1]=4 3154 B9R0.48 C=C(C)CNC(=O)CSC 1626a_100000765925_100000184570 [0,1,0,0,0,0|2,0,1]=4 3155 B9R0.48 C=C(C)CNC(=O)CSC 240690a_100000765925_100000184570 [0,1,0,0,0,0|2,0,1]=4 3156 B9R0.48 C=C(C)CNC(=O)CSC 527a_100000765925_100000184570 [0,1,0,0,0,0|2,0,1]=4 3157 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,1,0,0,0,0|2,0,1]=4 3158 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,1,0,0,0,0|2,0,1]=4 3159 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,1,0,0,0,0|2,0,1]=4 3160 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,1,0,0,0,0|2,0,1]=4 3161 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,1,0,0,0,0|2,0,1]=4 3162 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,1,0,0,0,0|2,0,1]=4 3163 B9R0.48 C=C(C)COC(C)CCC 34a_100000210245_100000766640 [0,1,0,0,0,0|1,0,2]=4 3164 B9R0.48 C=C(C)COC(C)CCC 34a_100000764384_100000748629 [0,1,0,0,0,0|1,0,2]=4 3165 B9R0.48 C=C(C)COC(C)CCC 7a_100000764384_100000748629 [0,1,0,0,0,0|1,0,2]=4 3166 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [0,1,0,0,0,0|1,0,2]=4 3167 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [0,1,0,0,0,0|1,0,2]=4 3168 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [0,1,0,0,0,0|1,0,2]=4 3169 B9R0.48 C=CCC(=O)NCC(C)C 11a_100000210953_100000210193 [0,1,0,0,0,0|1,0,2]=4 3170 B9R0.48 C=CCC(=O)NCC(C)C 1626a_100000210953_100000210193 [0,1,0,0,0,0|1,0,2]=4 3171 B9R0.48 C=CCC(=O)NCC(C)C 240690a_100000210953_100000210193 [0,1,0,0,0,0|1,0,2]=4 3172 B9R0.48 C=CCC(=O)NCC(C)C 527a_100000210953_100000210193 [0,1,0,0,0,0|1,0,2]=4 3173 B9R0.48 C=CCC(=O)NCC(C)O 11a_100000210904_100000210193 [0,1,0,0,0,0|1,0,2]=4 3174 B9R0.48 C=CCC(=O)NCC(C)O 240690a_100000210904_100000210193 [0,1,0,0,0,0|1,0,2]=4 3175 B9R0.48 C=CCC(=O)NCC(C)O 527a_100000210904_100000210193 [0,1,0,0,0,0|1,0,2]=4 3176 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [0,1,0,0,0,0|1,0,2]=4 3177 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,1,0,0,0,0|1,0,2]=4 3178 B9R0.48 CC(Br)COC(C)CCO 34a_100012180447_100009893172 [0,1,0,0,0,0|2,0,1]=4 3179 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [0,1,0,0,0,0|2,0,1]=4 3180 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [0,1,0,0,0,0|2,0,1]=4 3181 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100000181311_100011214920 [0,1,0,0,0,0|2,0,1]=4 3182 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100051588842_100000210312 [0,1,0,0,0,0|2,0,1]=4 3183 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,1,0,0,0,0|2,0,0]=3 3184 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,1,0,0,0,0|2,0,0]=3 3185 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,1,0,0,0,0|2,0,0]=3 3186 B9R0.48 CC(C)CNC(=O)CC#N 1626a_100000210953_100051588842 [0,1,0,0,0,0|2,0,1]=4 3187 B9R0.48 CC(C)CNC(=O)CC#N 240690a_100000210953_100051588842 [0,1,0,0,0,0|2,0,1]=4 3188 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [0,1,0,0,0,0|2,0,0]=3 3189 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [0,1,0,0,0,0|2,0,0]=3 3190 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [0,1,0,0,0,0|2,0,0]=3 3191 B9R0.48 CC(C)COC(C)CCBr 34a_100012276601_100000210624 [0,1,0,0,0,0|2,0,1]=4 3192 B9R0.48 CC(C)COC(C)CCO 34a_100000210257_100009893172 [0,1,0,0,0,0|2,0,1]=4 3193 B9R0.48 CC(C)NNC(=O)CCO 22a_100000741168_100011216618 [0,1,0,0,0,0|3,0,0]=4 3194 B9R0.48 CC(C)OCC(=O)CCF 1458a_100000745533_100011217306 [0,1,0,0,0,0|3,0,0]=4 3195 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [0,1,0,0,0,0|3,0,0]=4 3196 B9R0.48 CC(C)SCC(=O)CCF 1458a_100000241585_100011217306 [0,1,0,0,0,0|3,0,0]=4 3197 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [0,1,0,0,0,0|3,0,0]=4 3198 B9R0.48 CC(CCBr)OC[C@@H](C)O 34a_100012276601_100009817552 [0,1,0,0,0,0|2,0,1]=4 3199 B9R0.48 CC(CCO)OC[C@@H](C)Cl 34a_100016084084_100009893172 [0,1,0,0,0,0|2,0,1]=4 3200 B9R0.48 CC(CCO)OC[C@@H](C)N 34a_100000737577_100009893172 [0,1,0,0,0,0|2,0,1]=4 3201 B9R0.48 CC(F)COC(C)CCO 34a_100015925927_100009893172 [0,1,0,0,0,0|2,0,1]=4 3202 B9R0.48 CC(O)CCC(=O)CC#N 1458a_100051588842_100012276601 [0,1,0,0,0,0|2,0,1]=4 3203 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,1,0,0,0,0|2,0,0]=3 3204 B9R0.48 CC(O)CNC(=O)CC#N 240690a_100000210904_100051588842 [0,1,0,0,0,0|2,0,1]=4 3205 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [0,1,0,0,0,0|2,0,0]=3 3206 B9R0.48 CC(O)COC(C)CCBr 34a_100012276601_100011218427 [0,1,0,0,0,0|2,0,1]=4 3207 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,1,0,0,0,0|1,0,2]=4 3208 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,1,0,0,0,0|1,0,2]=4 3209 B9R0.48 CC=CC(=O)NCC(C)C 11a_100000210953_100000210699 [0,1,0,0,0,0|1,0,2]=4 3210 B9R0.48 CC=CC(=O)NCC(C)C 1626a_100000210953_100000210699 [0,1,0,0,0,0|1,0,2]=4 3211 B9R0.48 CC=CC(=O)NCC(C)C 240690a_100000210953_100000210699 [0,1,0,0,0,0|1,0,2]=4 3212 B9R0.48 CC=CC(=O)NCC(C)O 11a_100000210904_100000210699 [0,1,0,0,0,0|1,0,2]=4 3213 B9R0.48 CC=CC(=O)NCC(C)O 240690a_100000210904_100000210699 [0,1,0,0,0,0|1,0,2]=4 3214 B9R0.48 CCCC(=NNC(C)C)C 4a_100000741168_100000211909 [0,1,0,0,0,0|3,0,0]=4 3215 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,1,0,0,0,0|1,0,1]=3 3216 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,1,0,0,0,0|1,0,2]=4 3217 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,1,0,0,0,0|1,0,2]=4 3218 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,1,0,0,0,0|2,0,1]=4 3219 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,1,0,0,0,0|1,0,0]=2 3220 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,1,0,0,0,0|1,0,0]=2 3221 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,1,0,0,0,0|1,0,0]=2 3222 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,1,0,0,0,0|3,0,0]=4 3223 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,1,0,0,0,0|2,0,0]=3 3224 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,1,0,0,0,0|2,0,1]=4 3225 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,1,0,0,0,0|2,0,0]=3 3226 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,1,0,0,0,0|2,0,1]=4 3227 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,1,0,0,0,0|2,0,0]=3 3228 B9R0.48 CCCC(=O)COC(F)F 1458a_200000719455_100000210303 [0,1,0,0,0,0|3,0,0]=4 3229 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,1,0,0,0,0|2,0,1]=4 3230 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,1,0,0,0,0|2,0,0]=3 3231 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,1,0,0,0,0|2,0,0]=3 3232 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,1,0,0,0,0|2,0,0]=3 3233 B9R0.48 CCCC(=O)CSC(F)F 1458a_114828291038_100000210303 [0,1,0,0,0,0|3,0,0]=4 3234 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,1,0,0,0,0|2,0,1]=4 3235 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,1,0,0,0,0|2,0,1]=4 3236 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,1,0,0,0,0|2,0,1]=4 3237 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,1,0,0,0,0|1,0,0]=2 3238 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,1,0,0,0,0|1,0,0]=2 3239 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,1,0,0,0,0|1,0,0]=2 3240 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,1,0,0,0,0|1,0,0]=2 3241 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,1,0,0,0,0|1,0,0]=2 3242 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,1,0,0,0,0|1,0,0]=2 3243 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,1,0,0,0,0|1,0,0]=2 3244 B9R0.48 CCCC(=O)NCC(F)F 11a_100000765723_100000211992 [0,1,0,0,0,0|2,0,0]=3 3245 B9R0.48 CCCC(=O)NCC(F)F 1626a_100000765723_100000211992 [0,1,0,0,0,0|2,0,0]=3 3246 B9R0.48 CCCC(=O)NCC(F)F 240690a_100000765723_100000211992 [0,1,0,0,0,0|2,0,0]=3 3247 B9R0.48 CCCC(=O)NCC(F)F 527a_100000765723_100000211992 [0,1,0,0,0,0|2,0,0]=3 3248 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [0,1,0,0,0,0|2,0,1]=4 3249 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [0,1,0,0,0,0|2,0,1]=4 3250 B9R0.48 CCCC(=O)NNC(C)C 22a_100000741168_100000211992 [0,1,0,0,0,0|2,0,0]=3 3251 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,1,0,0,0,0|0,0,1]=2 3252 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [0,1,0,0,0,0|1,0,0]=2 3253 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [0,1,0,0,0,0|1,0,0]=2 3254 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [0,1,0,0,0,0|2,0,1]=4 3255 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [0,1,0,0,0,0|2,0,1]=4 3256 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [0,1,0,0,0,0|2,0,1]=4 3257 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [0,1,0,0,0,0|2,0,1]=4 3258 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [0,1,0,0,0,0|2,0,1]=4 3259 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [0,1,0,0,0,0|2,0,1]=4 3260 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [0,1,0,0,0,0|2,0,1]=4 3261 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [0,1,0,0,0,0|2,0,1]=4 3262 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [0,1,0,0,0,0|2,0,1]=4 3263 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [0,1,0,0,0,0|2,0,1]=4 3264 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,1,0,0,0,0|1,0,2]=4 3265 B9R0.48 CCCC(C)OCC(C)Br 34a_100012180447_100000766640 [0,1,0,0,0,0|1,0,1]=3 3266 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [0,1,0,0,0,0|1,0,1]=3 3267 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [0,1,0,0,0,0|1,0,1]=3 3268 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [0,1,0,0,0,0|1,0,1]=3 3269 B9R0.48 CCCC(C)OCC(C)F 34a_100015925927_100000766640 [0,1,0,0,0,0|1,0,1]=3 3270 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [0,1,0,0,0,0|1,0,1]=3 3271 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [0,1,0,0,0,0|1,0,1]=3 3272 B9R0.48 CCCC(C)OCC(F)F 34a_100000743014_100000766640 [0,1,0,0,0,0|2,0,1]=4 3273 B9R0.48 CCCC(C)OCC(F)F 34a_100000764384_100011934356 [0,1,0,0,0,0|2,0,1]=4 3274 B9R0.48 CCCC(C)OCC(F)F 7a_100000764384_100011934356 [0,1,0,0,0,0|2,0,1]=4 3275 B9R0.48 CCCC(C)OC[C@@H](C)Cl 34a_100016084084_100000766640 [0,1,0,0,0,0|1,0,1]=3 3276 B9R0.48 CCCC(C)OC[C@@H](C)N 34a_100000737577_100000766640 [0,1,0,0,0,0|1,0,1]=3 3277 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [0,1,0,0,0,0|1,0,1]=3 3278 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [0,1,0,0,0,0|1,0,1]=3 3279 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [0,1,0,0,0,0|1,1,1]=4 3280 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [0,1,0,0,0,0|1,1,1]=4 3281 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [0,1,0,0,0,0|1,1,1]=4 3282 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [0,1,0,0,0,0|1,1,1]=4 3283 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [0,1,0,0,0,0|1,1,1]=4 3284 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [0,1,0,0,0,0|1,1,1]=4 3285 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [0,1,0,0,0,0|3,0,0]=4 3286 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [0,1,0,0,0,0|3,0,0]=4 3287 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [0,1,0,0,0,0|3,0,0]=4 3288 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [0,1,0,0,0,0|3,0,0]=4 3289 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [0,1,0,0,0,0|3,0,0]=4 3290 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [0,1,0,0,0,0|3,0,0]=4 3291 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [0,1,0,0,0,0|2,0,1]=4 3292 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [0,1,0,0,0,0|2,0,1]=4 3293 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,1,0,0,0,0|2,0,1]=4 3294 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,1,0,0,0,0|2,0,1]=4 3295 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,1,0,0,0,0|2,0,0]=3 3296 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,1,0,0,0,0|2,0,0]=3 3297 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,1,0,0,0,0|2,0,0]=3 3298 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,1,0,0,0,0|3,0,0]=4 3299 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,1,0,0,0,0|3,0,0]=4 3300 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,1,0,0,0,0|3,0,0]=4 3301 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,1,0,0,0,0|3,0,0]=4 3302 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,1,0,0,0,0|3,0,0]=4 3303 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,1,0,0,0,0|3,0,0]=4 3304 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,1,0,0,0,0|3,0,0]=4 3305 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,1,0,0,0,0|3,0,0]=4 3306 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,1,0,0,0,0|3,0,0]=4 3307 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,1,0,0,0,0|3,0,0]=4 3308 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,1,0,0,0,0|3,0,0]=4 3309 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,1,0,0,0,0|3,0,0]=4 3310 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,1,0,0,0,0|3,0,0]=4 3311 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,1,0,0,0,0|3,0,0]=4 3312 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,1,0,0,0,0|3,0,0]=4 3313 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,1,0,0,0,0|3,0,0]=4 3314 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,1,0,0,0,0|3,0,0]=4 3315 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,1,0,0,0,0|3,0,0]=4 3316 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,1,0,0,0,0|3,0,0]=4 3317 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,1,0,0,0,0|2,0,0]=3 3318 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,1,0,0,0,0|2,0,0]=3 3319 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,1,0,0,0,0|2,0,0]=3 3320 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,1,0,0,0,0|2,0,0]=3 3321 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,1,0,0,0,0|2,0,0]=3 3322 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,1,0,0,0,0|2,0,0]=3 3323 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,1,0,0,0,0|2,0,0]=3 3324 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,1,0,0,0,0|2,0,0]=3 3325 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,1,0,0,0,0|2,0,0]=3 3326 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,1,0,0,0,0|2,0,0]=3 3327 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,1,0,0,0,0|2,0,0]=3 3328 B9R0.48 CCNC(=O)NCC(F)F 2708a_100015525214_100000765723 [0,1,0,0,0,0|3,0,0]=4 3329 B9R0.48 CCNC(=O)NCC(F)F 273464a_100000765723_100015525214 [0,1,0,0,0,0|3,0,0]=4 3330 B9R0.48 CCNC(=O)NCC(F)F 273464a_100015525214_100000765723 [0,1,0,0,0,0|3,0,0]=4 3331 B9R0.48 CCNC(=O)NCC(F)F 512a_100000765723_100015525214 [0,1,0,0,0,0|3,0,0]=4 3332 B9R0.48 CCNC(=O)NCC(F)F 512a_100015525214_100000765723 [0,1,0,0,0,0|3,0,0]=4 3333 B9R0.48 CCNC(=O)NNC(C)C 273464a_100015525214_100000741168 [0,1,0,0,0,0|3,0,0]=4 3334 B9R0.48 CCNC(=O)NNC(C)C 512a_100000741168_100015525214 [0,1,0,0,0,0|3,0,0]=4 3335 B9R0.48 CCNC(=O)NNC(C)C 512a_100015525214_100000741168 [0,1,0,0,0,0|3,0,0]=4 3336 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,1,0,0,0,0|2,0,1]=4 3337 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,1,0,0,0,0|2,0,1]=4 3338 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,1,0,0,0,0|3,0,0]=4 3339 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,1,0,0,0,0|3,0,0]=4 3340 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,1,0,0,0,0|3,0,0]=4 3341 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,1,0,0,0,0|3,0,0]=4 3342 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,1,0,0,0,0|3,0,0]=4 3343 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,1,0,0,0,0|3,0,0]=4 3344 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,1,0,0,0,0|3,0,0]=4 3345 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,1,0,0,0,0|3,0,0]=4 3346 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,1,0,0,0,0|3,0,0]=4 3347 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,1,0,0,0,0|3,0,0]=4 3348 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,1,0,0,0,0|3,0,0]=4 3349 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,1,0,0,0,0|2,0,1]=4 3350 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,1,0,0,0,0|2,0,1]=4 3351 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [0,1,0,0,0,0|2,0,0]=3 3352 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [0,1,0,0,0,0|2,0,0]=3 3353 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [0,1,0,0,0,0|2,0,0]=3 3354 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [0,1,0,0,0,0|3,0,0]=4 3355 B9R0.48 CNNC(=O)NCC(C)C 273464a_100000210953_100016993582 [0,1,0,0,0,0|3,0,0]=4 3356 B9R0.48 CNNC(=O)NCC(C)C 512a_100000210953_100016993582 [0,1,0,0,0,0|3,0,0]=4 3357 B9R0.48 CNNC(=O)NCC(C)C 512a_100016993582_100000210953 [0,1,0,0,0,0|3,0,0]=4 3358 B9R0.48 CNNC(=O)NCC(C)O 273464a_100000210904_100016993582 [0,1,0,0,0,0|3,0,0]=4 3359 B9R0.48 CNNC(=O)NCC(C)O 512a_100000210904_100016993582 [0,1,0,0,0,0|3,0,0]=4 3360 B9R0.48 CNNC(=O)NCC(C)O 512a_100016993582_100000210904 [0,1,0,0,0,0|3,0,0]=4 3361 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,1,0,0,0,0|2,0,0]=3 3362 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,1,0,0,0,0|2,0,0]=3 3363 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [0,1,0,0,0,0|2,0,0]=3 3364 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [0,1,0,0,0,0|2,0,0]=3 3365 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [0,1,0,0,0,0|2,0,0]=3 3366 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [0,1,0,0,0,0|2,0,0]=3 3367 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [0,1,0,0,0,0|2,0,0]=3 3368 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,1,0,0,0,0|2,0,0]=3 3369 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,1,0,0,0,0|2,0,0]=3 3370 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,1,0,0,0,0|2,0,0]=3 3371 B9R0.48 COCC(=O)NCC(F)F 11a_100000765723_100000210968 [0,1,0,0,0,0|3,0,0]=4 3372 B9R0.48 COCC(=O)NCC(F)F 1626a_100000765723_100000210968 [0,1,0,0,0,0|3,0,0]=4 3373 B9R0.48 COCC(=O)NCC(F)F 240690a_100000765723_100000210968 [0,1,0,0,0,0|3,0,0]=4 3374 B9R0.48 COCC(=O)NCC(F)F 527a_100000765723_100000210968 [0,1,0,0,0,0|3,0,0]=4 3375 B9R0.48 COCC(=O)NNC(C)C 22a_100000741168_100000210968 [0,1,0,0,0,0|3,0,0]=4 3376 B9R0.48 COCC(C)OCC(C)Br 34a_100012180447_100000765312 [0,1,0,0,0,0|2,0,1]=4 3377 B9R0.48 COCC(C)OCC(C)C 34a_100000210257_100000765312 [0,1,0,0,0,0|2,0,1]=4 3378 B9R0.48 COCC(C)OCC(C)F 34a_100015925927_100000765312 [0,1,0,0,0,0|2,0,1]=4 3379 B9R0.48 COCC(C)OC[C@@H](C)Cl 34a_100016084084_100000765312 [0,1,0,0,0,0|2,0,1]=4 3380 B9R0.48 COCC(C)OC[C@@H](C)N 34a_100000737577_100000765312 [0,1,0,0,0,0|2,0,1]=4 3381 B9R0.48 COC[C@@H](C)OCC(C)C 34a_100011934205_100000210624 [0,1,0,0,0,0|2,0,1]=4 3382 B9R0.48 COC[C@@H](C)OCC(C)O 34a_100011934205_100011218427 [0,1,0,0,0,0|2,0,1]=4 3383 B9R0.48 COC[C@@H](C)OC[C@@H](C)O 34a_100011934205_100009817552 [0,1,0,0,0,0|2,0,1]=4 3384 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,1,0,0,0,0|2,0,0]=3 3385 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,1,0,0,0,0|2,0,0]=3 3386 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [0,1,0,0,0,0|2,0,0]=3 3387 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [0,1,0,0,0,0|2,0,0]=3 3388 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [0,1,0,0,0,0|2,0,0]=3 3389 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [0,1,0,0,0,0|2,0,0]=3 3390 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [0,1,0,0,0,0|2,0,0]=3 3391 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [0,1,0,0,0,0|2,0,0]=3 3392 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [0,1,0,0,0,0|2,0,0]=3 3393 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [0,1,0,0,0,0|2,0,0]=3 3394 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [0,1,0,0,0,0|2,0,0]=3 3395 B9R0.48 CSCC(=O)NCC(F)F 11a_100000765723_100000184570 [0,1,0,0,0,0|3,0,0]=4 3396 B9R0.48 CSCC(=O)NCC(F)F 1626a_100000765723_100000184570 [0,1,0,0,0,0|3,0,0]=4 3397 B9R0.48 CSCC(=O)NCC(F)F 240690a_100000765723_100000184570 [0,1,0,0,0,0|3,0,0]=4 3398 B9R0.48 CSCC(=O)NCC(F)F 527a_100000765723_100000184570 [0,1,0,0,0,0|3,0,0]=4 3399 B9R0.48 CSCC(=O)NNC(C)C 22a_100000741168_100000184570 [0,1,0,0,0,0|3,0,0]=4 3400 B9R0.48 C[S+](C)CCC(=O)CCF 1458a_100009452791_100011217306 [0,1,0,0,0,0|3,0,0]=4 3401 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,1,0,0,0,0|3,0,0]=4 3402 B9R0.48 O=C(CCO)NCC(F)F 240690a_100000765723_100011216618 [0,1,0,0,0,0|3,0,0]=4 3403 B9R0.66 CCCC(C)(C)OCCF 7a_100000748436_100011217306 [0,1,0,0,0,0|2,0,1]=4 3404 B9R0.66 CCCC(C)(C)OCCO 7a_100000748436_100000211926 [0,1,0,0,0,0|2,0,1]=4 3405 B9R0.66 CCCCS(=O)(=O)NCC 270084a_100015525214_100000212082 [0,1,0,0,0,0|3,0,0]=4 3406 B9R0.66 CCCCS(=O)(=O)NCC 274078a_100015525214_100000212082 [0,1,0,0,0,0|3,0,0]=4 3407 B9R0.66 CCCCS(=O)(=O)NCC 40a_100015525214_100000054263 [0,1,0,0,0,0|3,0,0]=4 3408 B9R0.66 CCCNS(=O)(=O)CCBr 270084a_100020643023_100000731045 [0,1,0,0,0,0|3,0,0]=4 3409 B9R0.66 CCCNS(=O)(=O)CCBr 274078a_100020643023_100000731045 [0,1,0,0,0,0|3,0,0]=4 3410 B9R0.66 CCCNS(=O)(=O)CCC 270084a_100020643023_100000211391 [0,1,0,0,0,0|2,0,0]=3 3411 B9R0.66 CCCNS(=O)(=O)CCC 274078a_100020643023_100000211391 [0,1,0,0,0,0|2,0,0]=3 3412 B9R0.66 CCCNS(=O)(=O)CCC 40a_100020643023_100000054278 [0,1,0,0,0,0|2,0,0]=3 3413 B9R0.66 CCCNS(=O)(=O)CCCl 270084a_100020643023_100000184613 [0,1,0,0,0,0|3,0,0]=4 3414 B9R0.66 CCCNS(=O)(=O)CCCl 274078a_100020643023_100000184613 [0,1,0,0,0,0|3,0,0]=4 3415 B9R0.66 CCCOC(C)(C)CCBr 7a_100000702414_100000210303 [0,1,0,0,0,0|2,0,1]=4 3416 B9R0.66 CCCOC(C)(C)CCC 7a_100000748436_100000210303 [0,1,0,0,0,0|1,0,1]=3 3417 B9R0.66 CCCS(=O)(=O)NCCF 270084a_100000724931_100000211391 [0,1,0,0,0,0|3,0,0]=4 3418 B9R0.66 CCCS(=O)(=O)NCCF 274078a_100000724931_100000211391 [0,1,0,0,0,0|3,0,0]=4 3419 B9R0.66 CCCS(=O)(=O)NCCF 40a_100000724931_100000054278 [0,1,0,0,0,0|3,0,0]=4 3420 B9R0.66 CCCS(=O)(=O)NCCO 270084a_100000210304_100000211391 [0,1,0,0,0,0|3,0,0]=4 3421 B9R0.66 CCCS(=O)(=O)NCCO 274078a_100000210304_100000211391 [0,1,0,0,0,0|3,0,0]=4 3422 B9R0.66 CCCS(=O)(=O)NCCO 40a_100000210304_100000054278 [0,1,0,0,0,0|3,0,0]=4 3423 B9R0.66 CCCS(=O)(=O)NNCC 40a_100000756455_100000054278 [0,1,0,0,0,0|3,0,0]=4 3424 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,0,0,1,0,0|3,0,0]=4 3425 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,0,0,1,0,0|3,0,0]=4 3426 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,0,0,1,0,0|3,0,0]=4 3427 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,0,0,1,0,0|3,0,0]=4 3428 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,0,0,1,0,0|3,0,0]=4 3429 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,0,0,1,0,0|3,0,0]=4 3430 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,0,0,1,0,0|2,0,0]=3 3431 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,0,0,1,0,0|3,0,0]=4 3432 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,0,0,1,0,0|3,0,0]=4 3433 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,0,0,1,0,0|3,0,0]=4 3434 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,0,0,1,0,0|2,0,0]=3 3435 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,0,0,1,0,0|3,0,0]=4 3436 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [0,0,0,1,0,0|3,0,0]=4 3437 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [0,0,0,1,0,0|3,0,0]=4 3438 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [0,0,0,1,0,0|3,0,0]=4 3439 B9R1.7 CCCc1nc(no1)C 270196a_100000212224_100000211992 [0,0,0,1,0,0|2,0,1]=4 3440 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,0,0,1,0,0|2,0,1]=4 3441 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [0,0,0,1,0,0|2,0,1]=4 3442 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [0,0,0,1,0,0|2,0,1]=4 3443 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [0,0,0,1,0,0|2,0,1]=4 3444 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [0,0,0,1,0,0|2,0,1]=4 3445 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [0,0,0,1,0,0|2,0,1]=4 3446 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,0,0,1,0,0|2,0,1]=4 3447 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,0,0,1,0,0|2,0,1]=4 3448 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,0,0,1,0,0|2,0,1]=4 3449 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,0,0,1,0,0|2,0,1]=4 3450 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,0,0,1,0,0|2,0,1]=4 3451 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [0,0,0,1,0,0|2,0,1]=4 3452 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [0,0,0,1,0,0|2,0,1]=4 3453 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,0,0,1,0,0|2,0,1]=4 3454 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,0,0,1,0,0|2,0,1]=4 3455 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,0,0,1,0,0|2,0,1]=4 3456 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,0,0,1,0,0|2,0,1]=4 3457 B9R1.9 CCCCN1CC(C1)C 2230a_100000702820_100000210211 [0,0,0,1,0,0|3,0,0]=4 3458 B9R1.9 CCCCN1CC(C1)C 269982a_100000702820_100000210211 [0,0,0,1,0,0|3,0,0]=4 3459 B9R1.9 CCCCN1CC(C1)C 34a_100000702820_100000210210 [0,0,0,1,0,0|3,0,0]=4 3460 B9R1.9 CCCOC1CN(C1)C 269982a_200020626125_200000210301 [0,0,0,1,0,0|2,0,1]=4 3461 B9R1.9 CCCOC1CN(C1)C 34a_200020626125_200000210301 [0,0,0,1,0,0|2,0,1]=4 3462 B9R1.9 CCCOC1CN(C1)[13CH3] 269982a_200020626125_200025704644 [0,0,0,1,0,0|2,0,1]=4 3463 B9R1.9 CCCOC1CN(C1)[13CH3] 34a_200020626125_200025704644 [0,0,0,1,0,0|2,0,1]=4 3464 B9R1.12 BrCCOC1CCCC1 34a_100000211926_100000179811 [0,0,0,1,0,0|2,0,1]=4 3465 B9R1.12 CCCCN1CCCC1 2230a_100000188435_100000210211 [0,0,0,1,0,0|3,0,0]=4 3466 B9R1.12 CCCCN1CCCC1 269982a_100000188435_100000210211 [0,0,0,1,0,0|3,0,0]=4 3467 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [0,0,0,1,0,0|2,0,1]=4 3468 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [0,0,0,1,0,0|2,0,1]=4 3469 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [0,0,0,1,0,0|2,0,1]=4 3470 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [0,0,0,1,0,0|1,0,1]=3 3471 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [0,0,0,1,0,0|1,0,1]=3 3472 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [0,0,0,1,0,0|1,0,1]=3 3473 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [0,0,0,1,0,0|0,0,2]=3 3474 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [0,0,0,1,0,0|2,0,1]=4 3475 B9R1.12 CCCOC1CCSC1 7a_100011232664_100000210303 [0,0,0,1,0,0|2,0,1]=4 3476 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [0,0,0,1,0,0|2,0,1]=4 3477 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [0,0,0,1,0,0|1,1,1]=4 3478 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [0,0,0,1,0,0|1,1,1]=4 3479 B9R1.12 CCNN=C1CCCC1 4a_100000756455_100000210133 [0,0,0,1,0,0|3,0,0]=4 3480 B9R1.12 CSCOC1CCCC1 34a_100000210269_100011218213 [0,0,0,1,0,0|2,0,1]=4 3481 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [0,0,0,1,0,0|1,0,2]=4 3482 B9R1.12 FCCOC1CCCC1 34a_100000210269_100011217306 [0,0,0,1,0,0|2,0,1]=4 3483 B9R1.12 FCCOC1CCCC1 7a_100000210269_100011217306 [0,0,0,1,0,0|2,0,1]=4 3484 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [0,0,0,1,0,0|1,0,2]=4 3485 B9R1.12 NCCOC1CCCC1 34a_100000210304_100000179811 [0,0,0,1,0,0|2,0,1]=4 3486 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [0,0,0,1,0,0|2,0,1]=4 3487 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [0,0,0,1,0,0|2,0,1]=4 3488 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [0,0,0,1,0,0|1,0,2]=4 3489 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [0,0,0,1,0,0|3,0,0]=4 3490 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [0,0,0,1,0,0|3,0,0]=4 3491 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [0,0,0,1,0,0|3,0,0]=4 3492 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [0,0,0,1,0,0|3,0,0]=4 3493 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [0,0,0,1,0,0|3,0,0]=4 3494 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [0,0,0,1,0,0|3,0,0]=4 3495 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,0,0,1,0,0|2,0,0]=3 3496 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,0,0,1,0,0|2,0,0]=3 3497 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,0,0,1,0,0|2,0,0]=3 3498 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,0,0,1,0,0|2,0,0]=3 3499 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,0,0,1,0,0|2,0,0]=3 3500 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,0,0,1,0,0|2,0,0]=3 3501 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,0,0,1,0,0|2,0,0]=3 3502 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,0,0,1,0,0|3,0,0]=4 3503 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,0,0,1,0,0|3,0,0]=4 3504 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,0,0,1,0,0|2,0,0]=3 3505 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,0,0,1,0,0|2,0,0]=3 3506 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,0,0,1,0,0|2,0,0]=3 3507 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,0,0,1,0,0|2,0,0]=3 3508 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,0,0,1,0,0|3,0,0]=4 3509 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,0,0,1,0,0|2,0,0]=3 3510 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,0,0,1,0,0|2,0,0]=3 3511 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,0,0,1,0,0|2,0,0]=3 3512 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,0,0,1,0,0|2,0,0]=3 3513 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,0,0,1,0,0|3,0,0]=4 3514 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,0,0,1,0,0|3,0,0]=4 3515 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,0,0,1,0,0|2,0,0]=3 3516 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,0,0,1,0,0|2,0,0]=3 3517 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,0,0,1,0,0|2,0,0]=3 3518 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,0,0,1,0,0|2,0,0]=3 3519 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,0,0,1,0,0|2,0,0]=3 3520 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,0,0,1,0,0|2,0,0]=3 3521 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,0,0,1,0,0|2,0,0]=3 3522 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,0,0,1,0,0|2,0,0]=3 3523 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,0,0,1,0,0|3,0,0]=4 3524 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,0,0,1,0,0|3,0,0]=4 3525 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,0,0,1,0,0|2,0,1]=4 3526 B9R1.27 COC1C(=O)COC1=O 34a_100138415774_100000032967 [0,0,0,1,0,0|2,0,1]=4 3527 B9R1.27 CSC1C(=O)COC1=O 62a_200000210301_100000032967 [0,0,0,1,0,0|2,0,1]=4 3528 B9R1.27 [13CH3]SC1C(=O)COC1=O 62a_200025704644_100000032967 [0,0,0,1,0,0|2,0,1]=4 3529 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [0,0,0,1,0,0|2,0,1]=4 3530 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [0,0,0,1,0,0|2,0,1]=4 3531 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [0,0,0,1,0,0|2,0,1]=4 3532 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [0,0,0,1,0,0|2,0,1]=4 3533 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [0,0,0,1,0,0|2,0,1]=4 3534 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,0,0,1,0,0|2,0,0]=3 3535 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [0,0,0,1,0,0|3,0,0]=4 3536 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [0,0,0,1,0,0|3,0,0]=4 3537 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,0,0,1,0,0|3,0,0]=4 3538 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,0,0,1,0,0|2,0,0]=3 3539 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,0,0,1,0,0|2,0,0]=3 3540 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,0,0,1,0,0|3,0,0]=4 3541 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,0,0,1,0,0|3,0,0]=4 3542 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,0,0,1,0,0|2,0,0]=3 3543 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,0,0,1,0,0|2,0,0]=3 3544 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,0,0,1,0,0|3,0,0]=4 3545 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,0,0,1,0,0|3,0,0]=4 3546 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [0,0,0,1,0,0|2,0,1]=4 3547 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,0,0,1,0,0|3,0,0]=4 3548 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [0,0,0,1,0,0|2,0,0]=3 3549 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [0,0,0,1,0,0|2,0,0]=3 3550 B9R1.33 O=C1CCCC1OCF 34a_200000719330_100015361967 [0,0,0,1,0,0|3,0,0]=4 3551 B9R1.33 O=C1CCCC1SCF 62a_100000211823_100015361967 [0,0,0,1,0,0|3,0,0]=4 3552 B9R1.33 O=C1CCCC1SCF 62a_100015361967_100000211823 [0,0,0,1,0,0|3,0,0]=4 3553 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [0,0,0,1,0,0|2,0,1]=4 3554 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,0,0,1,0,0|3,0,0]=4 3555 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [0,0,0,1,0,0|2,0,0]=3 3556 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [0,0,0,1,0,0|2,0,0]=3 3557 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,1,0,0|2,0,0]=3 3558 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,1,0,0|2,0,0]=3 3559 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,0,0,1,0,0|3,0,0]=4 3560 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,0,0,1,0,0|3,0,0]=4 3561 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,0,0,1,0,0|3,0,0]=4 3562 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,0,0,1,0,0|3,0,0]=4 3563 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,0,0,1,0,0|3,0,0]=4 3564 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,0,0,1,0,0|3,0,0]=4 3565 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,1,0,0|3,0,0]=4 3566 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,1,0,0|3,0,0]=4 3567 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,1,0,0|3,0,0]=4 3568 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,1,0,0|3,0,0]=4 3569 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,0,0,1,0,0|3,0,0]=4 3570 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,0,0,1,0,0|3,0,0]=4 3571 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,0,0,1,0,0|3,0,0]=4 3572 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,0,0,1,0,0|3,0,0]=4 3573 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,0,0,1,0,0|3,0,0]=4 3574 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,0,0,1,0,0|3,0,0]=4 3575 B9R1.58 CCCN1CC(C1)CC 2230a_100015205115_100000210303 [0,0,0,1,0,0|3,0,0]=4 3576 B9R1.58 CCCN1CC(C1)CC 269982a_100015205115_100000210303 [0,0,0,1,0,0|3,0,0]=4 3577 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 2230a_100016991869_200000210301 [0,0,0,1,0,0|2,0,1]=4 3578 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 269982a_100016991869_200000210301 [0,0,0,1,0,0|2,0,1]=4 3579 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 34a_100016991869_200000210301 [0,0,0,1,0,0|2,0,1]=4 3580 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 2230a_100016991869_200025704644 [0,0,0,1,0,0|2,0,1]=4 3581 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 269982a_100016991869_200025704644 [0,0,0,1,0,0|2,0,1]=4 3582 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 34a_100016991869_200025704644 [0,0,0,1,0,0|2,0,1]=4 3583 B9R1.73 C#CCC(=O)C1CCC1 1458a_100000209988_100000184674 [0,0,0,1,0,0|1,0,2]=4 3584 B9R1.73 C#CCC(=O)C1CCC1 1458a_100011220946_100000749161 [0,0,0,1,0,0|1,0,2]=4 3585 B9R1.73 C#CCC(=O)N1CCC1 527a_100000754969_100011220946 [0,0,0,1,0,0|1,0,2]=4 3586 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000209988_100000210623 [0,0,0,1,0,0|1,0,2]=4 3587 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000210193_100000749161 [0,0,0,1,0,0|1,0,2]=4 3588 B9R1.73 C=CCC(=O)N1CCC1 11a_100000754969_100000210193 [0,0,0,1,0,0|1,0,2]=4 3589 B9R1.73 C=CCC(=O)N1CCC1 240690a_100000754969_100000210193 [0,0,0,1,0,0|1,0,2]=4 3590 B9R1.73 C=CCC(=O)N1CCC1 527a_100000754969_100000210193 [0,0,0,1,0,0|1,0,2]=4 3591 B9R1.73 CC#CC(=O)C1CCC1 1458a_100000763181_100000749161 [0,0,0,1,0,0|1,0,2]=4 3592 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [0,0,0,1,0,0|1,0,2]=4 3593 B9R1.73 CC=CC(=O)N1CCC1 11a_100000754969_100000210699 [0,0,0,1,0,0|1,0,2]=4 3594 B9R1.73 CC=CC(=O)N1CCC1 240690a_100000754969_100000210699 [0,0,0,1,0,0|1,0,2]=4 3595 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,0,0,1,0,0|1,0,0]=2 3596 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,0,0,1,0,0|1,0,0]=2 3597 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,0,0,1,0,0|2,0,0]=3 3598 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [0,0,0,1,0,0|2,0,0]=3 3599 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [0,0,0,1,0,0|2,0,0]=3 3600 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [0,0,0,1,0,0|1,0,0]=2 3601 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [0,0,0,1,0,0|1,0,0]=2 3602 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [0,0,0,1,0,0|1,0,0]=2 3603 B9R1.73 CCCC(C)N1CCC1 269982a_100000754969_100000766640 [0,0,0,1,0,0|2,0,1]=4 3604 B9R1.73 CCCN(C)C1CCC1 2230a_100000758072_100000210303 [0,0,0,1,0,0|3,0,0]=4 3605 B9R1.73 CCCN(C)C1CCC1 269982a_100000747261_100000749161 [0,0,0,1,0,0|3,0,0]=4 3606 B9R1.73 CCCN(C)C1CCC1 269982a_100000758072_100000210303 [0,0,0,1,0,0|3,0,0]=4 3607 B9R1.73 CCCN(C)C1CCC1 270004a_100000747261_100000241760 [0,0,0,1,0,0|3,0,0]=4 3608 B9R1.73 CCCN(C)C1CCC1 34a_100000758072_100000210303 [0,0,0,1,0,0|3,0,0]=4 3609 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [0,0,0,1,0,0|2,0,0]=3 3610 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [0,0,0,1,0,0|2,0,0]=3 3611 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [0,0,0,1,0,0|2,0,0]=3 3612 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,0,0,1,0,0|3,0,0]=4 3613 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,0,0,1,0,0|3,0,0]=4 3614 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,0,0,1,0,0|3,0,0]=4 3615 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [0,0,0,1,0,0|3,0,0]=4 3616 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [0,0,0,1,0,0|3,0,0]=4 3617 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [0,0,0,1,0,0|3,0,0]=4 3618 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [0,0,0,1,0,0|2,0,0]=3 3619 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [0,0,0,1,0,0|2,0,0]=3 3620 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [0,0,0,1,0,0|2,0,0]=3 3621 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [0,0,0,1,0,0|2,0,0]=3 3622 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [0,0,0,1,0,0|2,0,0]=3 3623 B9R1.73 CNCC(=O)N1CCC1 2230a_106832991635_100000185095 [0,0,0,1,0,0|2,0,0]=3 3624 B9R1.73 CNCC(=O)N1CCC1 34a_100102657272_100000185095 [0,0,0,1,0,0|2,0,0]=3 3625 B9R1.73 CNCC(=O)N1CCC1 7a_106832991635_100000185095 [0,0,0,1,0,0|2,0,0]=3 3626 B9R1.73 CNNC(=O)C1CCC1 22a_100016993582_100000209988 [0,0,0,1,0,0|3,0,0]=4 3627 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [0,0,0,1,0,0|2,0,0]=3 3628 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [0,0,0,1,0,0|2,0,0]=3 3629 B9R1.73 COCC(=O)C1COC1 1458a_100000210968_100000687716 [0,0,0,1,0,0|3,0,0]=4 3630 B9R1.73 COCC(=O)N1CCC1 11a_100000754969_100000210968 [0,0,0,1,0,0|2,0,0]=3 3631 B9R1.73 COCC(=O)N1CCC1 240690a_100000754969_100000210968 [0,0,0,1,0,0|2,0,0]=3 3632 B9R1.73 COCC(=O)N1CCC1 34a_100138415774_100000185095 [0,0,0,1,0,0|2,0,0]=3 3633 B9R1.73 COCC(=O)N1CCC1 527a_100000754969_100000210968 [0,0,0,1,0,0|2,0,0]=3 3634 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [0,0,0,1,0,0|2,0,0]=3 3635 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [0,0,0,1,0,0|2,0,0]=3 3636 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [0,0,0,1,0,0|2,0,0]=3 3637 B9R1.73 CSCC(=O)C1COC1 1458a_100000184570_100000687716 [0,0,0,1,0,0|3,0,0]=4 3638 B9R1.73 CSCC(=O)N1CCC1 11a_100000754969_100000184570 [0,0,0,1,0,0|2,0,0]=3 3639 B9R1.73 CSCC(=O)N1CCC1 240690a_100000754969_100000184570 [0,0,0,1,0,0|2,0,0]=3 3640 B9R1.73 CSCC(=O)N1CCC1 527a_100000754969_100000184570 [0,0,0,1,0,0|2,0,0]=3 3641 B9R1.73 CSCC(=O)N1CCC1 62a_100000185095_200000210301 [0,0,0,1,0,0|2,0,0]=3 3642 B9R1.73 CSCC(=O)N1CCC1 62a_200000210301_100000185095 [0,0,0,1,0,0|2,0,0]=3 3643 B9R1.73 N#CCC(=O)C1CCC1 1458a_100000209988_100011214920 [0,0,0,1,0,0|2,0,1]=4 3644 B9R1.73 N#CCC(=O)C1CCC1 1458a_100051588842_100000749161 [0,0,0,1,0,0|2,0,1]=4 3645 B9R1.73 N#CCC(=O)N1CCC1 240690a_100000754969_100051588842 [0,0,0,1,0,0|2,0,1]=4 3646 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [0,0,0,1,0,0|2,0,0]=3 3647 B9R1.73 O=C(CCF)C1CCO1 1458a_100000089072_100011217306 [0,0,0,1,0,0|3,0,0]=4 3648 B9R1.73 O=C(CCF)C1COC1 1458a_100000758290_100011217306 [0,0,0,1,0,0|3,0,0]=4 3649 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [0,0,0,1,0,0|2,0,0]=3 3650 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [0,0,0,1,0,0|2,0,0]=3 3651 B9R1.73 O=C(CCO)C1CCO1 1458a_100000089072_100000211926 [0,0,0,1,0,0|3,0,0]=4 3652 B9R1.73 O=C(CCO)C1COC1 1458a_100000758290_100000211926 [0,0,0,1,0,0|3,0,0]=4 3653 B9R1.73 O=C(CCO)C1COC1 1458a_100011216618_100000687716 [0,0,0,1,0,0|3,0,0]=4 3654 B9R1.73 O=C(CCO)N1CCC1 240690a_100000754969_100011216618 [0,0,0,1,0,0|2,0,0]=3 3655 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [0,0,0,1,0,0|2,0,0]=3 3656 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [0,0,0,1,0,0|2,0,0]=3 3657 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_100000185095_200025704644 [0,0,0,1,0,0|2,0,0]=3 3658 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_200025704644_100000185095 [0,0,0,1,0,0|2,0,0]=3 3659 B9R1.75 C#CCC(=O)CC1CC1 1458a_100000738066_100000184674 [0,0,0,1,0,0|1,0,2]=4 3660 B9R1.75 C#CCC(=O)CC1CC1 1458a_100011220946_100000742324 [0,0,0,1,0,0|1,0,2]=4 3661 B9R1.75 C#CCC(=O)NC1CC1 1626a_100000212008_100011220946 [0,0,0,1,0,0|1,0,2]=4 3662 B9R1.75 C#CCC(=O)NC1CC1 527a_100000212008_100011220946 [0,0,0,1,0,0|1,0,2]=4 3663 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000210193_100000742324 [0,0,0,1,0,0|1,0,2]=4 3664 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000738066_100000210623 [0,0,0,1,0,0|1,0,2]=4 3665 B9R1.75 C=CCC(=O)NC1CC1 1626a_100000212008_100000210193 [0,0,0,1,0,0|1,0,2]=4 3666 B9R1.75 C=CCC(=O)NC1CC1 240690a_100000212008_100000210193 [0,0,0,1,0,0|1,0,2]=4 3667 B9R1.75 C=CCC(=O)NC1CC1 527a_100000212008_100000210193 [0,0,0,1,0,0|1,0,2]=4 3668 B9R1.75 CC#CC(=O)CC1CC1 1458a_100000763181_100000742324 [0,0,0,1,0,0|1,0,2]=4 3669 B9R1.75 CC(CCBr)OC1CC1 34a_100012276601_100000211595 [0,0,0,1,0,0|2,0,1]=4 3670 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [0,0,0,1,0,0|1,0,2]=4 3671 B9R1.75 CC=CC(=O)NC1CC1 1626a_100000212008_100000210699 [0,0,0,1,0,0|1,0,2]=4 3672 B9R1.75 CC=CC(=O)NC1CC1 240690a_100000212008_100000210699 [0,0,0,1,0,0|1,0,2]=4 3673 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,0,0,1,0,0|1,0,0]=2 3674 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,0,0,1,0,0|1,0,0]=2 3675 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,0,0,1,0,0|2,0,0]=3 3676 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,0,0,1,0,0|2,0,0]=3 3677 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,0,0,1,0,0|2,0,0]=3 3678 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [0,0,0,1,0,0|1,0,0]=2 3679 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [0,0,0,1,0,0|1,0,0]=2 3680 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [0,0,0,1,0,0|1,0,0]=2 3681 B9R1.75 CCCC(C)NC1CC1 34a_100000212008_100000766640 [0,0,0,1,0,0|2,0,1]=4 3682 B9R1.75 CCCC(C)OC1CC1 34a_100000764384_100000211595 [0,0,0,1,0,0|1,0,1]=3 3683 B9R1.75 CCCC(C)SC1CC1 62a_100000766640_100000211595 [0,0,0,1,0,0|1,1,1]=4 3684 B9R1.75 CCCN(C)CC1CC1 2230a_100000210729_200000210301 [0,0,0,1,0,0|3,0,0]=4 3685 B9R1.75 CCCN(C)CC1CC1 2230a_100000741881_100000210303 [0,0,0,1,0,0|3,0,0]=4 3686 B9R1.75 CCCN(C)CC1CC1 2230a_100000747261_100000742324 [0,0,0,1,0,0|3,0,0]=4 3687 B9R1.75 CCCN(C)CC1CC1 269982a_100000210729_200000210301 [0,0,0,1,0,0|3,0,0]=4 3688 B9R1.75 CCCN(C)CC1CC1 269982a_100000741881_100000210303 [0,0,0,1,0,0|3,0,0]=4 3689 B9R1.75 CCCN(C)CC1CC1 269982a_100000747261_100000756562 [0,0,0,1,0,0|3,0,0]=4 3690 B9R1.75 CCCN(C)CC1CC1 34a_100000210729_200000210301 [0,0,0,1,0,0|3,0,0]=4 3691 B9R1.75 CCCN([13CH3])CC1CC1 2230a_100000210729_200025704644 [0,0,0,1,0,0|3,0,0]=4 3692 B9R1.75 CCCN([13CH3])CC1CC1 269982a_100000210729_200025704644 [0,0,0,1,0,0|3,0,0]=4 3693 B9R1.75 CCCN([13CH3])CC1CC1 34a_100000210729_200025704644 [0,0,0,1,0,0|3,0,0]=4 3694 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [0,0,0,1,0,0|2,0,0]=3 3695 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [0,0,0,1,0,0|2,0,0]=3 3696 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [0,0,0,1,0,0|2,0,0]=3 3697 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [0,0,0,1,0,0|2,0,0]=3 3698 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [0,0,0,1,0,0|2,0,0]=3 3699 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [0,0,0,1,0,0|2,0,0]=3 3700 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [0,0,0,1,0,0|2,0,0]=3 3701 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [0,0,0,1,0,0|2,0,0]=3 3702 B9R1.75 CNCC(=O)NC1CC1 2230a_100000702991_200000210301 [0,0,0,1,0,0|2,0,0]=3 3703 B9R1.75 CNCC(=O)NC1CC1 2230a_106832991635_100000182950 [0,0,0,1,0,0|2,0,0]=3 3704 B9R1.75 CNCC(=O)NC1CC1 34a_100102657272_100000182950 [0,0,0,1,0,0|2,0,0]=3 3705 B9R1.75 CNCC(=O)NC1CC1 7a_106832991635_100000182950 [0,0,0,1,0,0|2,0,0]=3 3706 B9R1.75 CNNC(=O)CC1CC1 22a_100016993582_100000738066 [0,0,0,1,0,0|3,0,0]=4 3707 B9R1.75 CNNC(=O)NC1CC1 273464a_100000212008_100016993582 [0,0,0,1,0,0|3,0,0]=4 3708 B9R1.75 CNNC(=O)NC1CC1 512a_100000212008_100016993582 [0,0,0,1,0,0|3,0,0]=4 3709 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [0,0,0,1,0,0|2,0,0]=3 3710 B9R1.75 COCC(=O)CC1CO1 1458a_100000210968_100011216344 [0,0,0,1,0,0|3,0,0]=4 3711 B9R1.75 COCC(=O)CC1CS1 1458a_100000210968_100000031435 [0,0,0,1,0,0|3,0,0]=4 3712 B9R1.75 COCC(=O)C[C@@H]1CO1 1458a_100000210968_100000745022 [0,0,0,1,0,0|3,0,0]=4 3713 B9R1.75 COCC(=O)NC1CC1 1626a_100000212008_100000210968 [0,0,0,1,0,0|2,0,0]=3 3714 B9R1.75 COCC(=O)NC1CC1 240690a_100000212008_100000210968 [0,0,0,1,0,0|2,0,0]=3 3715 B9R1.75 COCC(=O)NC1CC1 34a_100138415774_100000182950 [0,0,0,1,0,0|2,0,0]=3 3716 B9R1.75 COCC(=O)NC1CC1 527a_100000212008_100000210968 [0,0,0,1,0,0|2,0,0]=3 3717 B9R1.75 COC[C@@H](C)OC1CC1 34a_100011934205_100000211595 [0,0,0,1,0,0|2,0,1]=4 3718 B9R1.75 CSCC(=O)CC1CC1 1458a_100000184570_100000742324 [0,0,0,1,0,0|2,0,0]=3 3719 B9R1.75 CSCC(=O)CC1CO1 1458a_100000184570_100011216344 [0,0,0,1,0,0|3,0,0]=4 3720 B9R1.75 CSCC(=O)CC1CS1 1458a_100000184570_100000031435 [0,0,0,1,0,0|3,0,0]=4 3721 B9R1.75 CSCC(=O)C[C@@H]1CO1 1458a_100000184570_100000745022 [0,0,0,1,0,0|3,0,0]=4 3722 B9R1.75 CSCC(=O)NC1CC1 1626a_100000212008_100000184570 [0,0,0,1,0,0|2,0,0]=3 3723 B9R1.75 CSCC(=O)NC1CC1 240690a_100000212008_100000184570 [0,0,0,1,0,0|2,0,0]=3 3724 B9R1.75 CSCC(=O)NC1CC1 527a_100000212008_100000184570 [0,0,0,1,0,0|2,0,0]=3 3725 B9R1.75 CSCC(=O)NC1CC1 62a_100000182950_200000210301 [0,0,0,1,0,0|2,0,0]=3 3726 B9R1.75 CSCC(=O)NC1CC1 62a_200000210301_100000182950 [0,0,0,1,0,0|2,0,0]=3 3727 B9R1.75 N#CCC(=O)CC1CC1 1458a_100000738066_100011214920 [0,0,0,1,0,0|2,0,1]=4 3728 B9R1.75 N#CCC(=O)CC1CC1 1458a_100051588842_100000742324 [0,0,0,1,0,0|2,0,1]=4 3729 B9R1.75 N#CCC(=O)NC1CC1 1626a_100000212008_100051588842 [0,0,0,1,0,0|2,0,1]=4 3730 B9R1.75 N#CCC(=O)NC1CC1 240690a_100000212008_100051588842 [0,0,0,1,0,0|2,0,1]=4 3731 B9R1.75 O=C(CCF)CC1CC1 1458a_100000738066_100011217306 [0,0,0,1,0,0|2,0,0]=3 3732 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [0,0,0,1,0,0|2,0,0]=3 3733 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [0,0,0,1,0,0|2,0,0]=3 3734 B9R1.75 O=C(CCO)CC1CO1 1458a_100011216618_100011216344 [0,0,0,1,0,0|3,0,0]=4 3735 B9R1.75 O=C(CCO)CC1CS1 1458a_100011216618_100000031435 [0,0,0,1,0,0|3,0,0]=4 3736 B9R1.75 O=C(CCO)C[C@@H]1CO1 1458a_100011216618_100000745022 [0,0,0,1,0,0|3,0,0]=4 3737 B9R1.75 O=C(CCO)NC1CC1 240690a_100000212008_100011216618 [0,0,0,1,0,0|2,0,0]=3 3738 B9R1.75 [13CH3]NCC(=O)NC1CC1 2230a_100000702991_200025704644 [0,0,0,1,0,0|2,0,0]=3 3739 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_100000182950_200025704644 [0,0,0,1,0,0|2,0,0]=3 3740 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_200025704644_100000182950 [0,0,0,1,0,0|2,0,0]=3 3741 B9R1.100 C#CCCC(=O)C1CC1 1458a_100000210395_100000753159 [0,0,0,1,0,0|1,0,2]=4 3742 B9R1.100 C#CCNC(=O)C1CC1 11a_100000212058_100000210395 [0,0,0,1,0,0|1,0,2]=4 3743 B9R1.100 C#CCNC(=O)C1CC1 1626a_100000212058_100000210395 [0,0,0,1,0,0|1,0,2]=4 3744 B9R1.100 C#CCNC(=O)C1CC1 240690a_100000212058_100000210395 [0,0,0,1,0,0|1,0,2]=4 3745 B9R1.100 C#CCNC(=O)C1CC1 527a_100000212058_100000210395 [0,0,0,1,0,0|1,0,2]=4 3746 B9R1.100 C/C=C/CC(=O)C1CC1 1458a_100000210395_100102629194 [0,0,0,1,0,0|1,0,2]=4 3747 B9R1.100 C=CCCC(=O)C1CC1 1458a_100000210395_100000754431 [0,0,0,1,0,0|1,0,2]=4 3748 B9R1.100 C=CCNC(=O)C1CC1 1626a_100020586998_100000210395 [0,0,0,1,0,0|1,0,2]=4 3749 B9R1.100 C=CCNC(=O)C1CC1 240690a_100020586998_100000210395 [0,0,0,1,0,0|1,0,2]=4 3750 B9R1.100 C=CCNC(=O)C1CC1 527a_100020586998_100000210395 [0,0,0,1,0,0|1,0,2]=4 3751 B9R1.100 CC#CCC(=O)C1CC1 1458a_100000210395_100000748600 [0,0,0,1,0,0|1,0,2]=4 3752 B9R1.100 CC(OCCF)C1CC1 34a_100000744524_100011217306 [0,0,0,1,0,0|2,0,1]=4 3753 B9R1.100 CC(OCCF)C1CC1 7a_100000744524_100011217306 [0,0,0,1,0,0|2,0,1]=4 3754 B9R1.100 CC(OCCO)C1CC1 34a_100000744524_100000211926 [0,0,0,1,0,0|2,0,1]=4 3755 B9R1.100 CC(OCCO)C1CC1 7a_100000744524_100000211926 [0,0,0,1,0,0|2,0,1]=4 3756 B9R1.100 CC=CCC(=O)C1CC1 1458a_100000210395_100000070051 [0,0,0,1,0,0|1,0,2]=4 3757 B9R1.100 CC=NNC(=O)C1CC1 4a_100000183419_200000210099 [0,0,0,1,0,0|2,0,1]=4 3758 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,0,0,1,0,0|1,0,0]=2 3759 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,0,0,1,0,0|2,0,0]=3 3760 B9R1.100 CCCCN(C)C1CC1 2230a_100000226674_100000210211 [0,0,0,1,0,0|3,0,0]=4 3761 B9R1.100 CCCCN(C)C1CC1 269982a_100000207549_100000211595 [0,0,0,1,0,0|3,0,0]=4 3762 B9R1.100 CCCCN(C)C1CC1 269982a_100000226674_100000210211 [0,0,0,1,0,0|3,0,0]=4 3763 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [0,0,0,1,0,0|1,0,0]=2 3764 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [0,0,0,1,0,0|1,0,0]=2 3765 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [0,0,0,1,0,0|1,0,0]=2 3766 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [0,0,0,1,0,0|1,0,0]=2 3767 B9R1.100 CCCNC(=O)C1CO1 11a_100020643023_100000701028 [0,0,0,1,0,0|2,0,0]=3 3768 B9R1.100 CCCNC(=O)C1CO1 1626a_100020643023_100000701028 [0,0,0,1,0,0|2,0,0]=3 3769 B9R1.100 CCCNC(=O)C1CO1 240690a_100020643023_100000701028 [0,0,0,1,0,0|2,0,0]=3 3770 B9R1.100 CCCNC(=O)C1CO1 527a_100020643023_100000701028 [0,0,0,1,0,0|2,0,0]=3 3771 B9R1.100 CCCNC(C)C1CC1 2230a_100000700016_100000210303 [0,0,0,1,0,0|2,0,1]=4 3772 B9R1.100 CCCNC(C)C1CC1 269862a_100020643023_100000210639 [0,0,0,1,0,0|2,0,1]=4 3773 B9R1.100 CCCNC(C)C1CC1 34a_100000700016_100000210303 [0,0,0,1,0,0|2,0,1]=4 3774 B9R1.100 CCCOC(C)C1CC1 34a_100000744524_100000210303 [0,0,0,1,0,0|1,0,1]=3 3775 B9R1.100 CCCOC(C)C1CC1 7a_100000744524_100000210303 [0,0,0,1,0,0|1,0,1]=3 3776 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [0,0,0,1,0,0|2,0,0]=3 3777 B9R1.100 CCNN=C(C)C1CC1 4a_100000756455_100000210639 [0,0,0,1,0,0|3,0,0]=4 3778 B9R1.100 CCNNC(=O)C1CC1 22a_100000756455_100000210395 [0,0,0,1,0,0|2,0,0]=3 3779 B9R1.100 CCNNC(=O)C1CO1 22a_100000756455_100000701028 [0,0,0,1,0,0|3,0,0]=4 3780 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [0,0,0,1,0,0|2,0,0]=3 3781 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [0,0,0,1,0,0|2,0,0]=3 3782 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [0,0,0,1,0,0|2,0,0]=3 3783 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [0,0,0,1,0,0|2,0,0]=3 3784 B9R1.100 CNCOC(=O)C1CC1 2230a_106832991635_100000140896 [0,0,0,1,0,0|1,0,0]=2 3785 B9R1.100 CNCOC(=O)C1CC1 34a_100102657272_100000140896 [0,0,0,1,0,0|1,0,0]=2 3786 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [0,0,0,1,0,0|2,0,0]=3 3787 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [0,0,0,1,0,0|3,0,0]=4 3788 B9R1.100 COCOC(=O)C1CC1 34a_100138415774_100000140896 [0,0,0,1,0,0|1,0,0]=2 3789 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [0,0,0,1,0,0|2,0,0]=3 3790 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [0,0,0,1,0,0|3,0,0]=4 3791 B9R1.100 CSCOC(=O)C1CC1 62a_100000140896_200000210301 [0,0,0,1,0,0|1,0,0]=2 3792 B9R1.100 CSCOC(=O)C1CC1 62a_200000210301_100000140896 [0,0,0,1,0,0|1,0,0]=2 3793 B9R1.100 CSCOC(C)C1CC1 34a_100000744524_100011218213 [0,0,0,1,0,0|2,0,1]=4 3794 B9R1.100 N#CCCC(=O)C1CC1 1458a_100000210395_100011215226 [0,0,0,1,0,0|2,0,1]=4 3795 B9R1.100 N#CCNC(=O)C1CC1 1626a_100000734998_100000210395 [0,0,0,1,0,0|2,0,1]=4 3796 B9R1.100 N#CCNC(=O)C1CC1 527a_100000734998_100000210395 [0,0,0,1,0,0|2,0,1]=4 3797 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [0,0,0,1,0,0|2,0,0]=3 3798 B9R1.100 O=C(CCCF)C1CO1 1458a_100000701028_100011934791 [0,0,0,1,0,0|3,0,0]=4 3799 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [0,0,0,1,0,0|2,0,0]=3 3800 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,0,0,1,0,0|3,0,0]=4 3801 B9R1.100 O=C(COCF)C1CC1 34a_100000686663_100015361967 [0,0,0,1,0,0|3,0,0]=4 3802 B9R1.100 O=C(CSCF)C1CC1 62a_100000746382_100015361967 [0,0,0,1,0,0|3,0,0]=4 3803 B9R1.100 O=C(CSCF)C1CC1 62a_100015361967_100000746382 [0,0,0,1,0,0|3,0,0]=4 3804 B9R1.100 O=C(NCCF)C1CC1 11a_100000724931_100000210395 [0,0,0,1,0,0|2,0,0]=3 3805 B9R1.100 O=C(NCCF)C1CC1 1626a_100000724931_100000210395 [0,0,0,1,0,0|2,0,0]=3 3806 B9R1.100 O=C(NCCF)C1CC1 240690a_100000724931_100000210395 [0,0,0,1,0,0|2,0,0]=3 3807 B9R1.100 O=C(NCCF)C1CC1 527a_100000724931_100000210395 [0,0,0,1,0,0|2,0,0]=3 3808 B9R1.100 O=C(NCCF)C1CO1 11a_100000724931_100000701028 [0,0,0,1,0,0|3,0,0]=4 3809 B9R1.100 O=C(NCCF)C1CO1 1626a_100000724931_100000701028 [0,0,0,1,0,0|3,0,0]=4 3810 B9R1.100 O=C(NCCF)C1CO1 240690a_100000724931_100000701028 [0,0,0,1,0,0|3,0,0]=4 3811 B9R1.100 O=C(NCCF)C1CO1 527a_100000724931_100000701028 [0,0,0,1,0,0|3,0,0]=4 3812 B9R1.100 O=C(NCCO)C1CC1 240690a_100000210304_100000210395 [0,0,0,1,0,0|2,0,0]=3 3813 B9R1.100 O=C(NCCO)C1CC1 527a_100000210304_100000210395 [0,0,0,1,0,0|2,0,0]=3 3814 B9R1.100 O=C(NCCO)C1CO1 240690a_100000210304_100000701028 [0,0,0,1,0,0|3,0,0]=4 3815 B9R1.100 O=C(NCCO)C1CO1 527a_100000210304_100000701028 [0,0,0,1,0,0|3,0,0]=4 3816 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_100000140896_200025704644 [0,0,0,1,0,0|1,0,0]=2 3817 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_200025704644_100000140896 [0,0,0,1,0,0|1,0,0]=2 3818 B9R1.117 CC1(CCC1)OCCF 34a_100000759064_100011217306 [0,0,0,1,0,0|2,0,1]=4 3819 B9R1.117 CC1(CCC1)OCCF 7a_100000759064_100011217306 [0,0,0,1,0,0|2,0,1]=4 3820 B9R1.117 CC1(CCC1)OCCO 34a_100000759064_100000211926 [0,0,0,1,0,0|2,0,1]=4 3821 B9R1.117 CC1(CCC1)OCCO 7a_100000759064_100000211926 [0,0,0,1,0,0|2,0,1]=4 3822 B9R1.117 CCCNC1(CCC1)C 2230a_100000692455_100000210303 [0,0,0,1,0,0|2,0,1]=4 3823 B9R1.117 CCCNC1(CCC1)C 34a_100000692455_100000210303 [0,0,0,1,0,0|2,0,1]=4 3824 B9R1.117 CCCOC1(CCC1)C 34a_100000759064_100000210303 [0,0,0,1,0,0|1,0,1]=3 3825 B9R1.117 CCCOC1(CCC1)C 7a_100000759064_100000210303 [0,0,0,1,0,0|1,0,1]=3 3826 B9R1.117 CCCOC1(CSC1)C 7a_100016018533_100000210303 [0,0,0,1,0,0|2,0,1]=4 3827 B9R1.117 CSCOC1(CCC1)C 34a_100000759064_100011218213 [0,0,0,1,0,0|2,0,1]=4 3828 B9R1.183 C#CCC(=O)C1CC1C 1458a_100000211227_100000184674 [0,0,0,1,0,0|1,0,2]=4 3829 B9R1.183 C=CCC(=O)C1CC1C 1458a_100000211227_100000210623 [0,0,0,1,0,0|1,0,2]=4 3830 B9R1.183 CC1CC1C(=O)CC#N 1458a_100000211227_100011214920 [0,0,0,1,0,0|2,0,1]=4 3831 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [0,0,0,1,0,0|2,0,0]=3 3832 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [0,0,0,1,0,0|2,0,0]=3 3833 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,0,0,1,0,0|1,0,0]=2 3834 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [0,0,0,1,0,0|2,0,0]=3 3835 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,0,0,1,0,0|2,0,0]=3 3836 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,0,0,1,0,0|2,0,0]=3 3837 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [0,0,0,1,0,0|3,0,0]=4 3838 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [0,0,0,1,0,0|3,0,0]=4 3839 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [0,0,0,1,0,0|3,0,0]=4 3840 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [0,0,0,1,0,0|3,0,0]=4 3841 B9R1.183 O=C(CCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100011217306 [0,0,0,1,0,0|3,0,0]=4 3842 B9R1.183 O=C(CCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000211926 [0,0,0,1,0,0|3,0,0]=4 3843 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [2,0,0,0,0,0|0,0,2]=4 3844 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [2,0,0,0,0,0|0,0,2]=4 3845 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|0,0,2]=4 3846 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|0,0,2]=4 3847 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [2,0,0,0,0,0|1,0,1]=4 3848 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [2,0,0,0,0,0|1,0,1]=4 3849 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [2,0,0,0,0,0|1,0,1]=4 3850 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [2,0,0,0,0,0|1,0,1]=4 3851 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [2,0,0,0,0,0|1,0,1]=4 3852 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [2,0,0,0,0,0|1,0,1]=4 3853 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [2,0,0,0,0,0|1,0,1]=4 3854 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [2,0,0,0,0,0|1,0,1]=4 3855 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [2,0,0,0,0,0|1,0,1]=4 3856 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [2,0,0,0,0,0|1,0,1]=4 3857 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [2,0,0,0,0,0|2,0,0]=4 3858 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,1]=4 3859 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 3860 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,1]=4 3861 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 3862 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,1]=4 3863 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 3864 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,1]=4 3865 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 3866 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 3867 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 3868 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|1,0,1]=4 3869 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|1,0,1]=4 3870 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|1,0,1]=4 3871 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|1,0,1]=4 3872 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 3873 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 3874 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 3875 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|0,0,1]=3 3876 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|0,0,1]=3 3877 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|0,0,1]=3 3878 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|1,0,1]=4 3879 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|1,0,1]=4 3880 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|0,1,1]=4 3881 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|0,1,1]=4 3882 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [2,0,0,0,0,0|2,0,0]=4 3883 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|2,0,0]=4 3884 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|2,0,0]=4 3885 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,1]=4 3886 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [2,0,0,0,0,0|1,0,0]=3 3887 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|0,0,0]=2 3888 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [2,0,0,0,0,0|1,0,0]=3 3889 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [2,0,0,0,0,0|1,0,0]=3 3890 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,0]=3 3891 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [2,0,0,0,0,0|1,0,0]=3 3892 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|0,1,0]=3 3893 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [2,0,0,0,0,0|1,1,0]=4 3894 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [2,0,0,0,0,0|1,1,0]=4 3895 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,1,0]=4 3896 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,1,0]=4 3897 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [2,0,0,0,0,0|1,1,0]=4 3898 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [2,0,0,0,0,0|1,1,0]=4 3899 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [2,0,0,0,0,0|1,1,0]=4 3900 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [2,0,0,0,0,0|1,1,0]=4 3901 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|1,0,1]=4 3902 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|1,0,1]=4 3903 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|1,0,1]=4 3904 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|1,0,1]=4 3905 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|1,0,1]=4 3906 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,1]=4 3907 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|1,0,1]=4 3908 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|1,0,1]=4 3909 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|1,0,1]=4 3910 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|1,0,1]=4 3911 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|1,0,1]=4 3912 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|1,0,1]=4 3913 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|1,0,1]=4 3914 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 3915 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|1,0,1]=4 3916 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|1,0,1]=4 3917 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|1,0,1]=4 3918 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 3919 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 3920 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 3921 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 3922 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|1,0,1]=4 3923 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|1,0,1]=4 3924 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|1,0,1]=4 3925 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 3926 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|1,0,1]=4 3927 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|1,0,1]=4 3928 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [2,0,0,0,0,0|1,0,1]=4 3929 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [2,0,0,0,0,0|1,0,1]=4 3930 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [2,0,0,0,0,0|2,0,0]=4 3931 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [2,0,0,0,0,0|2,0,0]=4 3932 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [2,0,0,0,0,0|2,0,0]=4 3933 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [2,0,0,0,0,0|2,0,0]=4 3934 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [2,0,0,0,0,0|2,0,0]=4 3935 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 3936 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|0,0,2]=4 3937 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [2,0,0,0,0,0|0,0,2]=4 3938 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [2,0,0,0,0,0|0,0,2]=4 3939 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|0,0,2]=4 3940 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|0,0,2]=4 3941 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|0,0,2]=4 3942 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [2,0,0,0,0,0|0,0,2]=4 3943 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|0,0,2]=4 3944 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [2,0,0,0,0,0|1,0,1]=4 3945 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [2,0,0,0,0,0|1,0,1]=4 3946 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|1,0,0]=3 3947 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|1,0,0]=3 3948 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|1,0,0]=3 3949 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|1,0,0]=3 3950 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|1,0,0]=3 3951 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|1,0,0]=3 3952 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|1,0,0]=3 3953 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|1,0,0]=3 3954 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|1,0,0]=3 3955 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|1,0,0]=3 3956 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|1,0,0]=3 3957 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|1,0,0]=3 3958 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [2,0,0,0,0,0|2,0,0]=4 3959 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|0,0,0]=2 3960 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|0,0,0]=2 3961 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,0]=3 3962 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|1,0,0]=3 3963 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,0]=3 3964 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 3965 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 3966 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 3967 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 3968 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [2,0,0,0,0,0|1,0,1]=4 3969 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 3970 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 3971 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 3972 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [2,0,0,0,0,0|2,0,0]=4 3973 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [2,0,0,0,0,0|2,0,0]=4 3974 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [2,0,0,0,0,0|2,0,0]=4 3975 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [2,0,0,0,0,0|2,0,0]=4 3976 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [2,0,0,0,0,0|2,0,0]=4 3977 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [2,0,0,0,0,0|2,0,0]=4 3978 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [2,0,0,0,0,0|2,0,0]=4 3979 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [2,0,0,0,0,0|2,0,0]=4 3980 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 3981 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 3982 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 3983 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [2,0,0,0,0,0|2,0,0]=4 3984 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [2,0,0,0,0,0|2,0,0]=4 3985 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 3986 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 3987 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 3988 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 3989 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 3990 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 3991 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [2,0,0,0,0,0|1,0,1]=4 3992 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [2,0,0,0,0,0|1,0,1]=4 3993 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|2,0,0]=4 3994 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [2,0,0,0,0,0|2,0,0]=4 3995 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [2,0,0,0,0,0|2,0,0]=4 3996 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 3997 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 3998 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [2,0,0,0,0,0|2,0,0]=4 3999 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [2,0,0,0,0,0|2,0,0]=4 4000 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 4001 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [2,0,0,0,0,0|2,0,0]=4 4002 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|2,0,0]=4 4003 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 4004 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 4005 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 4006 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|2,0,0]=4 4007 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|2,0,0]=4 4008 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|2,0,0]=4 4009 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|2,0,0]=4 4010 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [2,0,0,0,0,0|2,0,0]=4 4011 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 4012 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [2,0,0,0,0,0|2,0,0]=4 4013 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 4014 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 4015 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|1,0,0]=3 4016 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 4017 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|1,0,0]=3 4018 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|1,0,0]=3 4019 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|1,0,0]=3 4020 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|1,0,0]=3 4021 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [2,0,0,0,0,0|2,0,0]=4 4022 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|1,0,0]=3 4023 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [2,0,0,0,0,0|2,0,0]=4 4024 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [2,0,0,0,0,0|2,0,0]=4 4025 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [2,0,0,0,0,0|2,0,0]=4 4026 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [2,0,0,0,0,0|2,0,0]=4 4027 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|2,0,0]=4 4028 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|2,0,0]=4 4029 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 4030 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 4031 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|2,0,0]=4 4032 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|2,0,0]=4 4033 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 4034 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 4035 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 4036 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [2,0,0,0,0,0|2,0,0]=4 4037 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|2,0,0]=4 4038 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|2,0,0]=4 4039 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|1,0,0]=3 4040 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|1,0,0]=3 4041 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [2,0,0,0,0,0|1,0,1]=4 4042 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [2,0,0,0,0,0|1,0,1]=4 4043 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|1,0,1]=4 4044 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|1,0,1]=4 4045 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,0]=3 4046 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,0]=3 4047 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,0]=3 4048 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 4049 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 4050 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 4051 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,0]=3 4052 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [2,0,0,0,0,0|1,0,1]=4 4053 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [2,0,0,0,0,0|1,0,1]=4 4054 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [2,0,0,0,0,0|2,0,0]=4 4055 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|2,0,0]=4 4056 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|2,0,0]=4 4057 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|2,0,0]=4 4058 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|2,0,0]=4 4059 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|2,0,0]=4 4060 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|2,0,0]=4 4061 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|1,0,0]=3 4062 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|2,0,0]=4 4063 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|2,0,0]=4 4064 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 4065 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 4066 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|2,0,0]=4 4067 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|1,0,0]=3 4068 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|2,0,0]=4 4069 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|2,0,0]=4 4070 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|2,0,0]=4 4071 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|2,0,0]=4 4072 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|2,0,0]=4 4073 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|1,0,0]=3 4074 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|1,0,0]=3 4075 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [1,1,0,0,0,0|0,0,2]=4 4076 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [1,1,0,0,0,0|0,0,2]=4 4077 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [1,1,0,0,0,0|0,0,2]=4 4078 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [1,1,0,0,0,0|0,0,2]=4 4079 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [1,1,0,0,0,0|0,0,2]=4 4080 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [1,1,0,0,0,0|0,0,2]=4 4081 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,1,0,0,0,0|0,0,2]=4 4082 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,1,0,0,0,0|0,0,2]=4 4083 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,1,0,0,0,0|0,0,2]=4 4084 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,1,0,0,0,0|0,0,2]=4 4085 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,1,0,0,0,0|0,0,2]=4 4086 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,1,0,0,0,0|0,0,2]=4 4087 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,1,0,0,0,0|0,0,2]=4 4088 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,1,0,0,0,0|0,0,2]=4 4089 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,1,0,0,0,0|0,0,2]=4 4090 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,1,0,0,0,0|0,0,2]=4 4091 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [1,1,0,0,0,0|0,0,2]=4 4092 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [1,1,0,0,0,0|0,0,2]=4 4093 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [1,1,0,0,0,0|0,0,2]=4 4094 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [1,1,0,0,0,0|0,0,2]=4 4095 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,1,0,0,0,0|1,0,1]=4 4096 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,1,0,0,0,0|1,0,1]=4 4097 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,1,0,0,0,0|1,0,1]=4 4098 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,1,0,0,0,0|1,0,1]=4 4099 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,1,0,0,0,0|1,0,1]=4 4100 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,1,0,0,0,0|1,0,1]=4 4101 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,1,0,0,0,0|1,0,1]=4 4102 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,1,0,0,0,0|1,0,1]=4 4103 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,1,0,0,0,0|1,0,1]=4 4104 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,1,0,0,0,0|1,0,1]=4 4105 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [1,1,0,0,0,0|1,0,1]=4 4106 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,1,0,0,0,0|0,0,1]=3 4107 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,1,0,0,0,0|0,0,1]=3 4108 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [1,1,0,0,0,0|1,0,1]=4 4109 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [1,1,0,0,0,0|1,0,1]=4 4110 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,1,0,0,0,0|1,0,1]=4 4111 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [1,1,0,0,0,0|1,0,1]=4 4112 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,1,0,0,0,0|0,1,1]=4 4113 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,1,0,0,0,0|0,1,1]=4 4114 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,1,0,0,0,0|0,0,2]=4 4115 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,1,0,0,0,0|0,0,2]=4 4116 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [1,1,0,0,0,0|0,0,2]=4 4117 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [1,1,0,0,0,0|0,0,2]=4 4118 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,1,0,0,0,0|1,0,0]=3 4119 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,1,0,0,0,0|1,0,0]=3 4120 B8R0.4 CCC/C=C/COCF 34a_100016278788_100015361967 [1,1,0,0,0,0|2,0,0]=4 4121 B8R0.4 CCC/C=C/COCF 7a_100016278788_100015361967 [1,1,0,0,0,0|2,0,0]=4 4122 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [1,1,0,0,0,0|1,0,1]=4 4123 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [1,1,0,0,0,0|1,0,1]=4 4124 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [1,1,0,0,0,0|1,0,1]=4 4125 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [1,1,0,0,0,0|1,0,1]=4 4126 B8R0.4 CCCC#CCOCC 34a_100000034806_100000210202 [1,1,0,0,0,0|1,0,1]=4 4127 B8R0.4 CCCC#CCOCC 7a_100000034806_100000210202 [1,1,0,0,0,0|1,0,1]=4 4128 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,1,0,0,0,0|1,0,1]=4 4129 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,1,0,0,0,0|1,0,1]=4 4130 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,1,0,0,0,0|1,0,1]=4 4131 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,1,0,0,0,0|1,0,1]=4 4132 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [1,1,0,0,0,0|1,0,0]=3 4133 B8R0.4 CCCC=NNCCO 4a_100000210001_100000185831 [1,1,0,0,0,0|2,0,0]=4 4134 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [1,1,0,0,0,0|2,0,0]=4 4135 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,1,0,0,0,0|1,0,1]=4 4136 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,1,0,0,0,0|1,0,1]=4 4137 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,1,0,0,0,0|1,0,1]=4 4138 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,1,0,0,0,0|1,0,1]=4 4139 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,1,0,0,0,0|1,0,1]=4 4140 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,1,0,0,0,0|1,0,1]=4 4141 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,1,0,0,0,0|1,0,1]=4 4142 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,1,0,0,0,0|1,0,1]=4 4143 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,1,0,0,0,0|1,0,1]=4 4144 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,1,0,0,0,0|1,0,1]=4 4145 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,1,0,0,0,0|1,0,1]=4 4146 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,1,0,0,0,0|1,0,1]=4 4147 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,1,0,0,0,0|1,0,1]=4 4148 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,1,0,0,0,0|1,0,1]=4 4149 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,1,0,0,0,0|1,0,1]=4 4150 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,1,0,0,0,0|1,0,1]=4 4151 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,1,0,0,0,0|1,0,1]=4 4152 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,1,0,0,0,0|1,0,1]=4 4153 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,1,0,0,0,0|1,0,1]=4 4154 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,1,0,0,0,0|1,0,1]=4 4155 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,1,0,0,0,0|1,0,1]=4 4156 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,1,0,0,0,0|1,0,1]=4 4157 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,1,0,0,0,0|1,0,1]=4 4158 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,1,0,0,0,0|0,0,1]=3 4159 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,1,0,0,0,0|0,0,1]=3 4160 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,1,0,0,0,0|0,0,1]=3 4161 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,1,0,0,0,0|1,0,1]=4 4162 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,1,0,0,0,0|1,0,1]=4 4163 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,1,0,0,0,0|1,0,1]=4 4164 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,1,0,0,0,0|1,0,1]=4 4165 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,1,0,0,0,0|1,0,1]=4 4166 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,1,0,0,0,0|1,0,1]=4 4167 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,1,0,0,0,0|0,1,1]=4 4168 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,1,0,0,0,0|0,1,1]=4 4169 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,1,0,0,0,0|1,0,1]=4 4170 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,1,0,0,0,0|1,0,1]=4 4171 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,1,0,0,0,0|1,0,1]=4 4172 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,1,0,0,0,0|1,0,1]=4 4173 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,1,0,0,0,0|1,0,1]=4 4174 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,1,0,0,0,0|1,0,1]=4 4175 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,1,0,0,0,0|1,0,1]=4 4176 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,1,0,0,0,0|1,0,1]=4 4177 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,1,0,0,0,0|1,0,1]=4 4178 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,1,0,0,0,0|1,0,1]=4 4179 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,1,0,0,0,0|1,0,1]=4 4180 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,1,0,0,0,0|1,0,1]=4 4181 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,1,0,0,0,0|1,0,1]=4 4182 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,1,0,0,0,0|1,0,1]=4 4183 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [1,1,0,0,0,0|0,0,2]=4 4184 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,1,0,0,0,0|0,0,1]=3 4185 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,1,0,0,0,0|0,0,1]=3 4186 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,1,0,0,0,0|0,0,1]=3 4187 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,1,0,0,0,0|0,0,1]=3 4188 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,1,0,0,0,0|0,0,1]=3 4189 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,1,0,0,0,0|0,0,1]=3 4190 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,1,0,0,0,0|0,0,1]=3 4191 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,1,0,0,0,0|0,0,1]=3 4192 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,1,0,0,0,0|0,0,1]=3 4193 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,1,0,0,0,0|0,0,1]=3 4194 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,1,0,0,0,0|0,0,1]=3 4195 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,1,0,0,0,0|0,0,1]=3 4196 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,1,0,0,0,0|0,0,1]=3 4197 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,1,0,0,0,0|0,0,1]=3 4198 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,1,0,0,0,0|0,0,1]=3 4199 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,1,0,0,0,0|0,0,1]=3 4200 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,1,0,0,0,0|0,0,1]=3 4201 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,1,0,0,0,0|0,0,1]=3 4202 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,1,0,0,0,0|0,0,1]=3 4203 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [1,1,0,0,0,0|1,0,1]=4 4204 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,1,0,0,0,0|0,0,1]=3 4205 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,1,0,0,0,0|0,0,1]=3 4206 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,1,0,0,0,0|0,0,1]=3 4207 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,1,0,0,0,0|0,0,1]=3 4208 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,1,0,0,0,0|0,0,1]=3 4209 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,1,0,0,0,0|0,0,1]=3 4210 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,1,0,0,0,0|0,0,1]=3 4211 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,1,0,0,0,0|0,0,1]=3 4212 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,1,0,0,0,0|0,0,1]=3 4213 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,1,0,0,0,0|0,0,1]=3 4214 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,1,0,0,0,0|0,0,1]=3 4215 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,1,0,0,0,0|0,0,1]=3 4216 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [1,1,0,0,0,0|0,0,1]=3 4217 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [1,1,0,0,0,0|0,0,1]=3 4218 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [1,1,0,0,0,0|1,0,1]=4 4219 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [1,1,0,0,0,0|1,0,1]=4 4220 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,1,0,0,0,0|0,1,1]=4 4221 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,1,0,0,0,0|0,1,1]=4 4222 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,1,0,0,0,0|0,1,1]=4 4223 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,1,0,0,0,0|0,1,1]=4 4224 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,1,0,0,0,0|0,1,1]=4 4225 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [1,1,0,0,0,0|0,1,1]=4 4226 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [1,1,0,0,0,0|0,1,1]=4 4227 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,1,0,0,0,0|0,1,1]=4 4228 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,1,0,0,0,0|0,1,1]=4 4229 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,1,0,0,0,0|0,1,1]=4 4230 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,1,0,0,0,0|0,1,1]=4 4231 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,1,0,0,0,0|0,1,1]=4 4232 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,1,0,0,0,0|0,1,1]=4 4233 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,1,0,0,0,0|0,1,1]=4 4234 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,1,0,0,0,0|0,1,1]=4 4235 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,1,0,0,0,0|0,1,1]=4 4236 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,1,0,0,0,0|0,1,1]=4 4237 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,1,0,0,0,0|1,0,1]=4 4238 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,1,0,0,0,0|1,0,1]=4 4239 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,1,0,0,0,0|1,0,1]=4 4240 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,1,0,0,0,0|1,0,1]=4 4241 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,1,0,0,0,0|1,0,1]=4 4242 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,1,0,0,0,0|1,0,1]=4 4243 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,1,0,0,0,0|1,0,1]=4 4244 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,1,0,0,0,0|0,0,1]=3 4245 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,1,0,0,0,0|0,0,1]=3 4246 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,1,0,0,0,0|0,0,1]=3 4247 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,1,0,0,0,0|0,0,1]=3 4248 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,1,0,0,0,0|0,0,1]=3 4249 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,1,0,0,0,0|0,0,1]=3 4250 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,1,0,0,0,0|0,0,1]=3 4251 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,1,0,0,0,0|0,0,1]=3 4252 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,1,0,0,0,0|0,0,1]=3 4253 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,1,0,0,0,0|0,0,1]=3 4254 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,1,0,0,0,0|0,0,1]=3 4255 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,1,0,0,0,0|0,0,1]=3 4256 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,1,0,0,0,0|0,0,1]=3 4257 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,1,0,0,0,0|0,0,1]=3 4258 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,1,0,0,0,0|0,0,1]=3 4259 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,1,0,0,0,0|0,0,1]=3 4260 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,1,0,0,0,0|0,0,1]=3 4261 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,1,0,0,0,0|0,0,1]=3 4262 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,1,0,0,0,0|0,0,1]=3 4263 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,1,0,0,0,0|0,0,1]=3 4264 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,1,0,0,0,0|0,0,1]=3 4265 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [1,1,0,0,0,0|1,0,1]=4 4266 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,1,0,0,0,0|0,0,1]=3 4267 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,1,0,0,0,0|0,0,1]=3 4268 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,1,0,0,0,0|0,0,1]=3 4269 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,1,0,0,0,0|0,0,1]=3 4270 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,1,0,0,0,0|0,0,1]=3 4271 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,1,0,0,0,0|0,0,1]=3 4272 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [1,1,0,0,0,0|1,0,1]=4 4273 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [1,1,0,0,0,0|1,0,1]=4 4274 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,1,0,0,0,0|0,0,1]=3 4275 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,1,0,0,0,0|0,0,1]=3 4276 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,1,0,0,0,0|0,0,1]=3 4277 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,1,0,0,0,0|0,0,1]=3 4278 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,1,0,0,0,0|0,0,1]=3 4279 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [1,1,0,0,0,0|1,0,1]=4 4280 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [1,1,0,0,0,0|1,0,1]=4 4281 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,1,0,0,0,0|0,1,1]=4 4282 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,1,0,0,0,0|0,1,1]=4 4283 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,1,0,0,0,0|0,1,1]=4 4284 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,1,0,0,0,0|0,1,1]=4 4285 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,1,0,0,0,0|0,1,1]=4 4286 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,1,0,0,0,0|0,1,1]=4 4287 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,1,0,0,0,0|0,1,1]=4 4288 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,1,0,0,0,0|0,1,1]=4 4289 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,1,0,0,0,0|0,1,1]=4 4290 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,1,0,0,0,0|0,1,1]=4 4291 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,1,0,0,0,0|0,1,1]=4 4292 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,1,0,0,0,0|0,1,1]=4 4293 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,1,0,0,0,0|0,1,1]=4 4294 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [1,1,0,0,0,0|1,0,1]=4 4295 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [1,1,0,0,0,0|1,0,1]=4 4296 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [1,1,0,0,0,0|1,0,1]=4 4297 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [1,1,0,0,0,0|1,0,1]=4 4298 B8R0.4 CCNN=CCCSC 4a_100000756455_100000210997 [1,1,0,0,0,0|2,0,0]=4 4299 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [1,1,0,0,0,0|1,0,1]=4 4300 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [1,1,0,0,0,0|1,0,1]=4 4301 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [1,1,0,0,0,0|1,0,1]=4 4302 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [1,1,0,0,0,0|1,0,1]=4 4303 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [1,1,0,0,0,0|1,0,1]=4 4304 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [1,1,0,0,0,0|1,0,1]=4 4305 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [1,1,0,0,0,0|1,0,1]=4 4306 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [1,1,0,0,0,0|1,0,1]=4 4307 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [1,1,0,0,0,0|1,0,1]=4 4308 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [1,1,0,0,0,0|1,0,1]=4 4309 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [1,1,0,0,0,0|1,0,1]=4 4310 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [1,1,0,0,0,0|1,0,1]=4 4311 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [1,1,0,0,0,0|1,0,1]=4 4312 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,1,0,0,0,0|1,0,1]=4 4313 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,1,0,0,0,0|1,0,1]=4 4314 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,1,0,0,0,0|1,0,1]=4 4315 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [1,1,0,0,0,0|1,0,1]=4 4316 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [1,1,0,0,0,0|1,0,1]=4 4317 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [1,1,0,0,0,0|1,0,1]=4 4318 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [1,1,0,0,0,0|1,0,1]=4 4319 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [1,1,0,0,0,0|1,0,1]=4 4320 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [1,1,0,0,0,0|1,0,1]=4 4321 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [1,1,0,0,0,0|1,0,1]=4 4322 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [1,1,0,0,0,0|1,0,1]=4 4323 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [1,1,0,0,0,0|1,0,1]=4 4324 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [1,1,0,0,0,0|1,0,1]=4 4325 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [1,1,0,0,0,0|1,0,1]=4 4326 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [1,1,0,0,0,0|1,0,1]=4 4327 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [1,1,0,0,0,0|1,0,1]=4 4328 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,1,0,0,0,0|1,0,1]=4 4329 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [1,1,0,0,0,0|1,0,1]=4 4330 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [1,1,0,0,0,0|1,0,1]=4 4331 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [1,1,0,0,0,0|1,0,1]=4 4332 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [1,1,0,0,0,0|1,0,1]=4 4333 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [1,1,0,0,0,0|1,0,1]=4 4334 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [1,1,0,0,0,0|1,0,1]=4 4335 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [1,1,0,0,0,0|1,0,1]=4 4336 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [1,1,0,0,0,0|1,0,1]=4 4337 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [1,1,0,0,0,0|1,0,1]=4 4338 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [1,1,0,0,0,0|1,0,1]=4 4339 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [1,1,0,0,0,0|1,0,1]=4 4340 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,1,0,0,0,0|1,0,1]=4 4341 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [1,1,0,0,0,0|1,0,1]=4 4342 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [1,1,0,0,0,0|1,0,1]=4 4343 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [1,1,0,0,0,0|1,0,1]=4 4344 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [1,1,0,0,0,0|1,0,1]=4 4345 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [1,1,0,0,0,0|1,0,1]=4 4346 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [1,1,0,0,0,0|1,0,1]=4 4347 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [1,1,0,0,0,0|1,0,1]=4 4348 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [1,1,0,0,0,0|1,0,1]=4 4349 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [1,1,0,0,0,0|1,0,1]=4 4350 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [1,1,0,0,0,0|1,0,1]=4 4351 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [1,1,0,0,0,0|1,0,1]=4 4352 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [1,1,0,0,0,0|1,0,1]=4 4353 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [1,1,0,0,0,0|1,0,1]=4 4354 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [1,1,0,0,0,0|1,0,1]=4 4355 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [1,1,0,0,0,0|1,0,1]=4 4356 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [1,1,0,0,0,0|1,0,1]=4 4357 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [1,1,0,0,0,0|1,0,1]=4 4358 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [1,1,0,0,0,0|1,0,1]=4 4359 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [1,1,0,0,0,0|1,0,1]=4 4360 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [1,1,0,0,0,0|1,0,1]=4 4361 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [1,1,0,0,0,0|1,0,1]=4 4362 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [1,1,0,0,0,0|1,0,1]=4 4363 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [1,1,0,0,0,0|1,0,1]=4 4364 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [1,1,0,0,0,0|1,0,1]=4 4365 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,1,0,0,0,0|1,0,1]=4 4366 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,1,0,0,0,0|1,0,1]=4 4367 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [1,1,0,0,0,0|1,0,1]=4 4368 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [1,1,0,0,0,0|1,0,1]=4 4369 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [1,1,0,0,0,0|1,0,1]=4 4370 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [1,1,0,0,0,0|1,0,1]=4 4371 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [1,1,0,0,0,0|1,0,1]=4 4372 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [1,1,0,0,0,0|1,0,1]=4 4373 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [1,1,0,0,0,0|1,0,1]=4 4374 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [1,1,0,0,0,0|1,0,1]=4 4375 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [1,1,0,0,0,0|1,0,1]=4 4376 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [1,1,0,0,0,0|1,0,1]=4 4377 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [1,1,0,0,0,0|1,0,1]=4 4378 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [1,1,0,0,0,0|1,0,1]=4 4379 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [1,1,0,0,0,0|1,0,1]=4 4380 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [1,1,0,0,0,0|1,0,1]=4 4381 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [1,1,0,0,0,0|1,0,1]=4 4382 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [1,1,0,0,0,0|1,0,1]=4 4383 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [1,1,0,0,0,0|1,0,1]=4 4384 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [1,1,0,0,0,0|1,0,1]=4 4385 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [1,1,0,0,0,0|1,0,1]=4 4386 B8R0.4 FCCCOCCCBr 34a_100011217188_100011934791 [1,1,0,0,0,0|1,0,1]=4 4387 B8R0.4 FCCCOCCCCl 34a_100000230001_100011934791 [1,1,0,0,0,0|1,0,1]=4 4388 B8R0.4 FCCCOCCCF 34a_100000759539_100011934791 [1,1,0,0,0,0|1,0,1]=4 4389 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [1,1,0,0,0,0|1,0,1]=4 4390 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [1,1,0,0,0,0|1,0,1]=4 4391 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [1,1,0,0,0,0|1,0,1]=4 4392 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [1,1,0,0,0,0|1,0,1]=4 4393 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [1,1,0,0,0,0|1,0,1]=4 4394 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [1,1,0,0,0,0|1,0,1]=4 4395 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [1,1,0,0,0,0|1,0,1]=4 4396 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [1,1,0,0,0,0|1,0,1]=4 4397 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [1,1,0,0,0,0|1,0,1]=4 4398 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [1,1,0,0,0,0|1,0,1]=4 4399 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [1,1,0,0,0,0|1,0,1]=4 4400 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [1,1,0,0,0,0|1,0,1]=4 4401 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [1,1,0,0,0,0|1,0,1]=4 4402 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [1,1,0,0,0,0|1,0,1]=4 4403 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [1,1,0,0,0,0|1,0,1]=4 4404 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [1,1,0,0,0,0|1,0,1]=4 4405 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [1,1,0,0,0,0|1,0,1]=4 4406 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [1,1,0,0,0,0|1,0,1]=4 4407 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [1,1,0,0,0,0|1,0,1]=4 4408 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [1,1,0,0,0,0|1,0,1]=4 4409 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [1,1,0,0,0,0|1,0,1]=4 4410 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [1,1,0,0,0,0|1,0,1]=4 4411 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [1,1,0,0,0,0|1,0,1]=4 4412 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [1,1,0,0,0,0|1,0,1]=4 4413 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [1,1,0,0,0,0|1,0,1]=4 4414 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [1,1,0,0,0,0|1,0,1]=4 4415 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [1,1,0,0,0,0|1,0,1]=4 4416 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [1,1,0,0,0,0|1,0,1]=4 4417 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [1,1,0,0,0,0|1,0,1]=4 4418 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [1,1,0,0,0,0|1,0,1]=4 4419 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [1,1,0,0,0,0|1,0,1]=4 4420 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [1,1,0,0,0,0|1,0,1]=4 4421 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [1,1,0,0,0,0|1,0,1]=4 4422 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [1,1,0,0,0,0|1,0,1]=4 4423 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [1,1,0,0,0,0|1,0,1]=4 4424 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,1,0,0,0,0|1,0,1]=4 4425 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,1,0,0,0,0|1,0,1]=4 4426 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,1,0,0,0,0|1,0,1]=4 4427 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,1,0,0,0,0|1,0,1]=4 4428 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,1,0,0,0,0|0,0,1]=3 4429 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,1,0,0,0,0|0,0,1]=3 4430 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,1,0,0,0,0|0,0,1]=3 4431 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [1,1,0,0,0,0|1,0,1]=4 4432 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [1,1,0,0,0,0|1,0,1]=4 4433 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,1]=4 4434 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [1,1,0,0,0,0|1,0,1]=4 4435 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [1,1,0,0,0,0|1,0,1]=4 4436 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,1,0,0,0,0|0,1,1]=4 4437 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,1,0,0,0,0|0,1,1]=4 4438 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [1,1,0,0,0,0|1,0,1]=4 4439 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [1,1,0,0,0,0|1,0,1]=4 4440 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [1,1,0,0,0,0|1,0,1]=4 4441 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,1,0,0,0,0|0,0,2]=4 4442 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,1,0,0,0,0|0,0,2]=4 4443 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [1,1,0,0,0,0|0,0,1]=3 4444 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [1,1,0,0,0,0|1,0,1]=4 4445 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [1,1,0,0,0,0|1,0,1]=4 4446 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [1,1,0,0,0,0|1,0,1]=4 4447 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [1,1,0,0,0,0|0,0,1]=3 4448 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [1,1,0,0,0,0|1,0,1]=4 4449 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [1,1,0,0,0,0|0,0,1]=3 4450 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [1,1,0,0,0,0|0,0,1]=3 4451 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,1,0,0,0,0|1,0,1]=4 4452 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [1,1,0,0,0,0|1,0,1]=4 4453 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [1,1,0,0,0,0|1,0,1]=4 4454 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [1,1,0,0,0,0|1,0,1]=4 4455 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [1,1,0,0,0,0|0,1,1]=4 4456 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [1,1,0,0,0,0|0,1,1]=4 4457 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [1,1,0,0,0,0|0,1,1]=4 4458 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [1,1,0,0,0,0|0,1,1]=4 4459 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [1,1,0,0,0,0|0,1,1]=4 4460 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [1,1,0,0,0,0|0,1,1]=4 4461 B8R0.6 CCNN=CC(C)CC 4a_100000756455_100000243153 [1,1,0,0,0,0|2,0,0]=4 4462 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [1,1,0,0,0,0|1,0,1]=4 4463 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [1,1,0,0,0,0|1,0,1]=4 4464 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [1,1,0,0,0,0|1,0,1]=4 4465 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [1,1,0,0,0,0|1,0,1]=4 4466 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|0,0,2]=4 4467 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|0,0,2]=4 4468 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|0,0,2]=4 4469 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|0,0,2]=4 4470 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|0,0,2]=4 4471 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [1,1,0,0,0,0|1,0,1]=4 4472 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [1,1,0,0,0,0|1,0,1]=4 4473 B8R0.7 CC(Br)COCCCF 34a_100012180447_100011934791 [1,1,0,0,0,0|1,0,1]=4 4474 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [1,1,0,0,0,0|1,0,1]=4 4475 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [1,1,0,0,0,0|1,0,1]=4 4476 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [1,1,0,0,0,0|1,0,1]=4 4477 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [1,1,0,0,0,0|1,0,1]=4 4478 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [1,1,0,0,0,0|1,0,1]=4 4479 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [1,1,0,0,0,0|1,0,1]=4 4480 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [1,1,0,0,0,0|1,0,1]=4 4481 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [1,1,0,0,0,0|1,0,1]=4 4482 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [1,1,0,0,0,0|1,0,1]=4 4483 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [1,1,0,0,0,0|1,0,1]=4 4484 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [1,1,0,0,0,0|1,0,1]=4 4485 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [1,1,0,0,0,0|1,0,1]=4 4486 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [1,1,0,0,0,0|1,0,1]=4 4487 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [1,1,0,0,0,0|1,0,1]=4 4488 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [1,1,0,0,0,0|1,0,1]=4 4489 B8R0.7 CC(F)COCCCF 34a_100015925927_100011934791 [1,1,0,0,0,0|1,0,1]=4 4490 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [1,1,0,0,0,0|1,0,1]=4 4491 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [1,1,0,0,0,0|1,0,1]=4 4492 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [1,1,0,0,0,0|1,0,1]=4 4493 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [1,1,0,0,0,0|1,0,1]=4 4494 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [1,1,0,0,0,0|1,0,1]=4 4495 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [1,1,0,0,0,0|1,0,1]=4 4496 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [1,1,0,0,0,0|1,0,1]=4 4497 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,1,0,0,0,0|1,0,1]=4 4498 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,1,0,0,0,0|1,0,1]=4 4499 B8R0.7 CCCC=NNC(C)C 4a_100000741168_100000185831 [1,1,0,0,0,0|2,0,0]=4 4500 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,1,0,0,0,0|1,0,1]=4 4501 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,1,0,0,0,0|1,0,1]=4 4502 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,1,0,0,0,0|1,0,1]=4 4503 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,1,0,0,0,0|1,0,1]=4 4504 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,1,0,0,0,0|1,0,1]=4 4505 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,1,0,0,0,0|1,0,1]=4 4506 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,1,0,0,0,0|1,0,1]=4 4507 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,1]=4 4508 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,1,0,0,0,0|1,0,1]=4 4509 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,1,0,0,0,0|1,0,1]=4 4510 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,1,0,0,0,0|1,0,1]=4 4511 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|0,0,2]=4 4512 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|0,0,2]=4 4513 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|0,0,2]=4 4514 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|0,0,2]=4 4515 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [1,1,0,0,0,0|0,0,1]=3 4516 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,1,0,0,0,0|0,0,1]=3 4517 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,1,0,0,0,0|0,0,1]=3 4518 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,1,0,0,0,0|0,0,1]=3 4519 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [1,1,0,0,0,0|0,0,1]=3 4520 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,1,0,0,0,0|0,0,1]=3 4521 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,1,0,0,0,0|0,0,1]=3 4522 B8R0.7 CCCCOCC(F)F 34a_100000210227_100011934356 [1,1,0,0,0,0|1,0,1]=4 4523 B8R0.7 CCCCOCC(F)F 34a_100000743014_100000210210 [1,1,0,0,0,0|1,0,1]=4 4524 B8R0.7 CCCCOCC(F)F 7a_100000210227_100011934356 [1,1,0,0,0,0|1,0,1]=4 4525 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [1,1,0,0,0,0|1,0,1]=4 4526 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [1,1,0,0,0,0|1,0,1]=4 4527 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [1,1,0,0,0,0|0,0,1]=3 4528 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [1,1,0,0,0,0|0,0,1]=3 4529 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,1,0,0,0,0|0,0,1]=3 4530 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,1,0,0,0,0|0,0,1]=3 4531 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,1,0,0,0,0|0,1,1]=4 4532 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,1,0,0,0,0|0,1,1]=4 4533 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,1,0,0,0,0|0,1,1]=4 4534 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,1,0,0,0,0|0,1,1]=4 4535 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,1,0,0,0,0|0,1,1]=4 4536 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,1,0,0,0,0|0,1,1]=4 4537 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [1,1,0,0,0,0|1,0,1]=4 4538 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,1,0,0,0,0|1,0,1]=4 4539 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|0,0,2]=4 4540 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|0,0,2]=4 4541 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|0,0,2]=4 4542 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [1,1,0,0,0,0|0,0,1]=3 4543 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,1,0,0,0,0|0,0,1]=3 4544 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,1,0,0,0,0|0,0,1]=3 4545 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,1,0,0,0,0|0,0,1]=3 4546 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,1,0,0,0,0|0,0,1]=3 4547 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [1,1,0,0,0,0|1,0,1]=4 4548 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [1,1,0,0,0,0|1,0,1]=4 4549 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [1,1,0,0,0,0|1,0,1]=4 4550 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [1,1,0,0,0,0|0,0,1]=3 4551 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [1,1,0,0,0,0|1,0,1]=4 4552 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [1,1,0,0,0,0|0,1,1]=4 4553 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [1,1,0,0,0,0|0,1,1]=4 4554 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,1,0,0,0,0|0,1,1]=4 4555 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,1,0,0,0,0|0,1,1]=4 4556 B8R0.7 CCNN=CCC(C)C 4a_100000756455_100000185833 [1,1,0,0,0,0|2,0,0]=4 4557 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [1,1,0,0,0,0|1,0,1]=4 4558 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [1,1,0,0,0,0|1,0,1]=4 4559 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [1,1,0,0,0,0|1,0,1]=4 4560 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [1,1,0,0,0,0|1,0,1]=4 4561 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [1,1,0,0,0,0|1,0,1]=4 4562 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [1,1,0,0,0,0|1,0,1]=4 4563 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [1,1,0,0,0,0|1,0,1]=4 4564 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [1,1,0,0,0,0|1,0,1]=4 4565 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [1,1,0,0,0,0|1,0,1]=4 4566 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [1,1,0,0,0,0|1,0,1]=4 4567 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [1,1,0,0,0,0|1,0,1]=4 4568 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [1,1,0,0,0,0|1,0,1]=4 4569 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [1,1,0,0,0,0|1,0,1]=4 4570 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [1,1,0,0,0,0|1,0,1]=4 4571 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [1,1,0,0,0,0|1,0,1]=4 4572 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [1,1,0,0,0,0|1,0,1]=4 4573 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [1,1,0,0,0,0|1,0,1]=4 4574 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [1,1,0,0,0,0|1,0,1]=4 4575 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [1,1,0,0,0,0|1,0,1]=4 4576 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [1,1,0,0,0,0|1,0,1]=4 4577 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [1,1,0,0,0,0|1,0,1]=4 4578 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [1,1,0,0,0,0|1,0,1]=4 4579 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [1,1,0,0,0,0|1,0,1]=4 4580 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [1,1,0,0,0,0|1,0,1]=4 4581 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [1,1,0,0,0,0|1,0,1]=4 4582 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [1,1,0,0,0,0|1,0,1]=4 4583 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [1,1,0,0,0,0|1,0,1]=4 4584 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [1,1,0,0,0,0|1,0,1]=4 4585 B8R0.7 C[C@@H](N)COCCCF 34a_100000737577_100011934791 [1,1,0,0,0,0|1,0,1]=4 4586 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [1,1,0,0,0,0|1,0,1]=4 4587 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [1,1,0,0,0,0|1,0,1]=4 4588 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [1,1,0,0,0,0|1,0,1]=4 4589 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [1,1,0,0,0,0|1,0,1]=4 4590 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [1,1,0,0,0,0|1,0,1]=4 4591 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [1,1,0,0,0,0|1,0,1]=4 4592 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [1,1,0,0,0,0|2,0,0]=4 4593 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [1,1,0,0,0,0|2,0,0]=4 4594 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [1,1,0,0,0,0|2,0,0]=4 4595 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [1,1,0,0,0,0|2,0,0]=4 4596 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [1,1,0,0,0,0|2,0,0]=4 4597 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [1,1,0,0,0,0|2,0,0]=4 4598 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,1,0,0,0,0|2,0,0]=4 4599 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|1,0,0]=3 4600 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|1,0,0]=3 4601 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [1,1,0,0,0,0|2,0,0]=4 4602 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|2,0,0]=4 4603 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,1,0,0,0,0|2,0,0]=4 4604 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,1,0,0,0,0|2,0,0]=4 4605 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,1,0,0,0,0|2,0,0]=4 4606 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,1,0,0,0,0|2,0,0]=4 4607 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 4608 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 4609 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 4610 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 4611 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [1,1,0,0,0,0|2,0,0]=4 4612 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [1,1,0,0,0,0|2,0,0]=4 4613 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 4614 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 4615 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|1,0,0]=3 4616 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [1,1,0,0,0,0|2,0,0]=4 4617 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,1,0,0,0,0|2,0,0]=4 4618 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,1,0,0,0,0|2,0,0]=4 4619 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [1,1,0,0,0,0|2,0,0]=4 4620 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [1,1,0,0,0,0|2,0,0]=4 4621 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [1,1,0,0,0,0|2,0,0]=4 4622 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [1,1,0,0,0,0|2,0,0]=4 4623 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [1,1,0,0,0,0|2,0,0]=4 4624 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|1,0,1]=4 4625 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [1,1,0,0,0,0|1,0,1]=4 4626 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [1,1,0,0,0,0|1,0,1]=4 4627 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [1,1,0,0,0,0|2,0,0]=4 4628 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [1,1,0,0,0,0|2,0,0]=4 4629 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [1,1,0,0,0,0|2,0,0]=4 4630 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [1,1,0,0,0,0|2,0,0]=4 4631 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [1,1,0,0,0,0|2,0,0]=4 4632 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [1,1,0,0,0,0|2,0,0]=4 4633 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [1,1,0,0,0,0|2,0,0]=4 4634 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [1,1,0,0,0,0|2,0,0]=4 4635 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [1,1,0,0,0,0|1,0,0]=3 4636 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [1,1,0,0,0,0|1,0,0]=3 4637 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [1,1,0,0,0,0|2,0,0]=4 4638 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [1,1,0,0,0,0|2,0,0]=4 4639 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [1,1,0,0,0,0|2,0,0]=4 4640 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [1,1,0,0,0,0|2,0,0]=4 4641 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [1,1,0,0,0,0|2,0,0]=4 4642 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [1,1,0,0,0,0|2,0,0]=4 4643 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [1,1,0,0,0,0|2,0,0]=4 4644 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [1,1,0,0,0,0|2,0,0]=4 4645 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [1,1,0,0,0,0|1,0,1]=4 4646 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [1,1,0,0,0,0|1,0,1]=4 4647 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,1,0,0,0,0|1,0,0]=3 4648 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,1,0,0,0,0|1,0,0]=3 4649 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,1,0,0,0,0|1,0,0]=3 4650 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [1,1,0,0,0,0|2,0,0]=4 4651 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [1,1,0,0,0,0|2,0,0]=4 4652 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [1,1,0,0,0,0|2,0,0]=4 4653 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [1,1,0,0,0,0|2,0,0]=4 4654 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [1,1,0,0,0,0|2,0,0]=4 4655 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|1,0,0]=3 4656 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|1,0,0]=3 4657 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,1,0,0,0,0|1,0,1]=4 4658 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,1,0,0,0,0|1,0,1]=4 4659 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [1,1,0,0,0,0|1,0,0]=3 4660 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [1,1,0,0,0,0|1,0,0]=3 4661 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [1,1,0,0,0,0|1,0,0]=3 4662 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [1,1,0,0,0,0|1,0,0]=3 4663 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [1,1,0,0,0,0|1,0,0]=3 4664 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [1,1,0,0,0,0|1,0,0]=3 4665 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [1,1,0,0,0,0|1,0,0]=3 4666 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [1,1,0,0,0,0|1,0,0]=3 4667 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [1,1,0,0,0,0|2,0,0]=4 4668 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [1,1,0,0,0,0|2,0,0]=4 4669 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [1,1,0,0,0,0|2,0,0]=4 4670 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [1,1,0,0,0,0|2,0,0]=4 4671 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [1,1,0,0,0,0|2,0,0]=4 4672 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [1,1,0,0,0,0|2,0,0]=4 4673 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [1,1,0,0,0,0|1,0,0]=3 4674 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [1,1,0,0,0,0|1,0,0]=3 4675 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [1,1,0,0,0,0|1,0,0]=3 4676 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [1,1,0,0,0,0|1,0,1]=4 4677 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [1,1,0,0,0,0|2,0,0]=4 4678 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [1,1,0,0,0,0|2,0,0]=4 4679 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [1,1,0,0,0,0|2,0,0]=4 4680 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [1,1,0,0,0,0|2,0,0]=4 4681 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [1,1,0,0,0,0|2,0,0]=4 4682 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [1,1,0,0,0,0|2,0,0]=4 4683 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [1,1,0,0,0,0|2,0,0]=4 4684 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [1,1,0,0,0,0|2,0,0]=4 4685 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [1,1,0,0,0,0|2,0,0]=4 4686 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [1,1,0,0,0,0|2,0,0]=4 4687 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [1,1,0,0,0,0|2,0,0]=4 4688 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [1,1,0,0,0,0|2,0,0]=4 4689 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [1,1,0,0,0,0|2,0,0]=4 4690 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [1,1,0,0,0,0|2,0,0]=4 4691 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [1,1,0,0,0,0|2,0,0]=4 4692 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [1,1,0,0,0,0|2,0,0]=4 4693 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [1,1,0,0,0,0|2,0,0]=4 4694 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [1,1,0,0,0,0|2,0,0]=4 4695 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [1,1,0,0,0,0|2,0,0]=4 4696 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [1,1,0,0,0,0|2,0,0]=4 4697 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [1,1,0,0,0,0|1,0,0]=3 4698 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [1,1,0,0,0,0|1,0,0]=3 4699 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [1,1,0,0,0,0|2,0,0]=4 4700 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,1,0,0,0,0|2,0,0]=4 4701 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [1,1,0,0,0,0|2,0,0]=4 4702 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [1,1,0,0,0,0|2,0,0]=4 4703 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [1,1,0,0,0,0|2,0,0]=4 4704 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,1,0,0,0,0|2,0,0]=4 4705 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [1,1,0,0,0,0|2,0,0]=4 4706 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [1,1,0,0,0,0|2,0,0]=4 4707 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [1,1,0,0,0,0|2,0,0]=4 4708 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,1,0,0,0,0|1,0,1]=4 4709 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,1,0,0,0,0|1,0,1]=4 4710 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 4711 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 4712 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 4713 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 4714 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [1,1,0,0,0,0|2,0,0]=4 4715 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|2,0,0]=4 4716 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [1,1,0,0,0,0|2,0,0]=4 4717 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [1,1,0,0,0,0|2,0,0]=4 4718 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|2,0,0]=4 4719 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [1,1,0,0,0,0|2,0,0]=4 4720 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [1,1,0,0,0,0|2,0,0]=4 4721 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [1,1,0,0,0,0|1,0,1]=4 4722 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|1,0,0]=3 4723 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|1,0,0]=3 4724 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|1,0,0]=3 4725 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [1,1,0,0,0,0|2,0,0]=4 4726 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [1,1,0,0,0,0|2,0,0]=4 4727 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [1,1,0,0,0,0|2,0,0]=4 4728 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [1,1,0,0,0,0|2,0,0]=4 4729 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [1,1,0,0,0,0|2,0,0]=4 4730 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [1,1,0,0,0,0|2,0,0]=4 4731 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,1,0,0,0,0|1,0,1]=4 4732 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,1,0,0,0,0|1,0,1]=4 4733 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 4734 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 4735 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 4736 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 4737 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,1,0,0,0,0|1,0,0]=3 4738 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,1,0,0,0,0|1,0,0]=3 4739 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,1,0,0,0,0|1,0,0]=3 4740 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [1,1,0,0,0,0|2,0,0]=4 4741 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [1,1,0,0,0,0|2,0,0]=4 4742 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [1,1,0,0,0,0|2,0,0]=4 4743 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [1,1,0,0,0,0|2,0,0]=4 4744 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [1,1,0,0,0,0|2,0,0]=4 4745 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [1,1,0,0,0,0|1,0,1]=4 4746 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [1,1,0,0,0,0|1,0,1]=4 4747 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [1,1,0,0,0,0|1,0,1]=4 4748 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [1,1,0,0,0,0|1,0,1]=4 4749 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [1,1,0,0,0,0|1,0,1]=4 4750 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [1,1,0,0,0,0|1,0,1]=4 4751 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [1,1,0,0,0,0|1,0,1]=4 4752 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [1,1,0,0,0,0|1,0,1]=4 4753 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,1,0,0,0,0|2,0,0]=4 4754 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,1,0,0,0,0|2,0,0]=4 4755 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,1,0,0,0,0|2,0,0]=4 4756 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,1,0,0,0,0|2,0,0]=4 4757 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,1,0,0,0,0|2,0,0]=4 4758 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [1,1,0,0,0,0|2,0,0]=4 4759 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 4760 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 4761 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 4762 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 4763 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [1,1,0,0,0,0|2,0,0]=4 4764 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 4765 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 4766 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 4767 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 4768 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [1,1,0,0,0,0|2,0,0]=4 4769 B8R0.11 C#CC(CC)OCCC 34a_100000758843_100000210303 [1,1,0,0,0,0|1,0,1]=4 4770 B8R0.11 C#CC(CC)OCCC 7a_100000758843_100000210303 [1,1,0,0,0,0|1,0,1]=4 4771 B8R0.11 C=CC(CC)OCCC 34a_100000766422_100000210303 [1,1,0,0,0,0|1,0,1]=4 4772 B8R0.11 C=CC(CC)OCCC 7a_100000766422_100000210303 [1,1,0,0,0,0|1,0,1]=4 4773 B8R0.11 CCCOC(CC)CC 7a_100000688536_100000210303 [1,1,0,0,0,0|1,0,1]=4 4774 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [1,1,0,0,0,0|1,0,1]=4 4775 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [1,1,0,0,0,0|1,0,1]=4 4776 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|1,0,0]=3 4777 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|1,0,0]=3 4778 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|1,0,0]=3 4779 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|1,0,0]=3 4780 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [1,1,0,0,0,0|2,0,0]=4 4781 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [1,1,0,0,0,0|2,0,0]=4 4782 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|1,0,0]=3 4783 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|2,0,0]=4 4784 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 4785 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 4786 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 4787 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 4788 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 4789 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 4790 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 4791 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 4792 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [1,1,0,0,0,0|2,0,0]=4 4793 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [1,1,0,0,0,0|2,0,0]=4 4794 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|2,0,0]=4 4795 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|2,0,0]=4 4796 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|2,0,0]=4 4797 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|2,0,0]=4 4798 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|2,0,0]=4 4799 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|2,0,0]=4 4800 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [1,1,0,0,0,0|2,0,0]=4 4801 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [1,1,0,0,0,0|2,0,0]=4 4802 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,1,0,0,0,0|2,0,0]=4 4803 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 4804 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 4805 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 4806 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 4807 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,1,0,0,0,0|2,0,0]=4 4808 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [1,1,0,0,0,0|1,0,1]=4 4809 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|2,0,0]=4 4810 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|2,0,0]=4 4811 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|2,0,0]=4 4812 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|2,0,0]=4 4813 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|2,0,0]=4 4814 B8R0.25 CCCNS(=O)(=O)CC 270084a_100020643023_100000211323 [1,1,0,0,0,0|2,0,0]=4 4815 B8R0.25 CCCNS(=O)(=O)CC 274078a_100020643023_100000211323 [1,1,0,0,0,0|2,0,0]=4 4816 B8R0.25 CCCNS(=O)(=O)CC 40a_100020643023_100000053943 [1,1,0,0,0,0|2,0,0]=4 4817 B8R0.25 CCCOC(C)(C)CC 7a_100000210230_100000210303 [1,1,0,0,0,0|1,0,1]=4 4818 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [1,1,0,0,0,0|0,0,2]=4 4819 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [1,1,0,0,0,0|0,0,2]=4 4820 B8R0.5 C#CCC(=O)CC(C)O 1458a_100011220946_100011218427 [1,1,0,0,0,0|0,0,2]=4 4821 B8R0.5 C#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000184674 [1,1,0,0,0,0|0,0,2]=4 4822 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,1,0,0,0,0|0,0,1]=3 4823 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [1,1,0,0,0,0|1,0,1]=4 4824 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [1,1,0,0,0,0|1,0,1]=4 4825 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [1,1,0,0,0,0|1,0,1]=4 4826 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|1,0,1]=4 4827 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|1,0,1]=4 4828 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [1,1,0,0,0,0|0,0,2]=4 4829 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [1,1,0,0,0,0|0,0,2]=4 4830 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [1,1,0,0,0,0|0,0,2]=4 4831 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [1,1,0,0,0,0|0,0,2]=4 4832 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [1,1,0,0,0,0|0,0,2]=4 4833 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [1,1,0,0,0,0|0,0,2]=4 4834 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [1,1,0,0,0,0|0,0,2]=4 4835 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [1,1,0,0,0,0|1,0,1]=4 4836 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [1,1,0,0,0,0|1,0,1]=4 4837 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [1,1,0,0,0,0|1,0,0]=3 4838 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [1,1,0,0,0,0|1,0,0]=3 4839 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [1,1,0,0,0,0|1,0,0]=3 4840 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [1,1,0,0,0,0|2,0,0]=4 4841 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [1,1,0,0,0,0|2,0,0]=4 4842 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [1,1,0,0,0,0|2,0,0]=4 4843 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [1,1,0,0,0,0|2,0,0]=4 4844 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [1,1,0,0,0,0|1,0,0]=3 4845 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [1,1,0,0,0,0|1,0,0]=3 4846 B8R0.5 CC(O)CC(=O)CC#N 1458a_100051588842_100011218427 [1,1,0,0,0,0|1,0,1]=4 4847 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [1,1,0,0,0,0|1,0,0]=3 4848 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [1,1,0,0,0,0|0,0,2]=4 4849 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [1,1,0,0,0,0|0,0,2]=4 4850 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [1,1,0,0,0,0|0,0,2]=4 4851 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [1,1,0,0,0,0|0,0,2]=4 4852 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [1,1,0,0,0,0|0,0,2]=4 4853 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|0,0,1]=3 4854 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,1,0,0,0,0|1,0,1]=4 4855 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,1,0,0,0,0|1,0,1]=4 4856 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,1,0,0,0,0|1,0,1]=4 4857 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [1,1,0,0,0,0|0,0,0]=2 4858 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [1,1,0,0,0,0|0,0,0]=2 4859 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [1,1,0,0,0,0|0,0,0]=2 4860 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [1,1,0,0,0,0|1,0,0]=3 4861 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [1,1,0,0,0,0|1,0,0]=3 4862 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [1,1,0,0,0,0|1,0,0]=3 4863 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [1,1,0,0,0,0|1,0,0]=3 4864 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [1,1,0,0,0,0|0,0,0]=2 4865 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [1,1,0,0,0,0|2,0,0]=4 4866 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [1,1,0,0,0,0|1,0,0]=3 4867 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [1,1,0,0,0,0|1,0,0]=3 4868 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [1,1,0,0,0,0|1,0,0]=3 4869 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [1,1,0,0,0,0|1,0,0]=3 4870 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [1,1,0,0,0,0|1,0,0]=3 4871 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [1,1,0,0,0,0|1,0,1]=4 4872 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [1,1,0,0,0,0|1,0,1]=4 4873 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [1,1,0,0,0,0|1,0,1]=4 4874 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [1,1,0,0,0,0|2,0,0]=4 4875 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [1,1,0,0,0,0|2,0,0]=4 4876 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [1,1,0,0,0,0|2,0,0]=4 4877 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [1,1,0,0,0,0|2,0,0]=4 4878 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [1,1,0,0,0,0|2,0,0]=4 4879 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [1,1,0,0,0,0|2,0,0]=4 4880 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [1,1,0,0,0,0|2,0,0]=4 4881 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [1,1,0,0,0,0|2,0,0]=4 4882 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [1,1,0,0,0,0|2,0,0]=4 4883 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [1,1,0,0,0,0|2,0,0]=4 4884 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [1,1,0,0,0,0|2,0,0]=4 4885 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|1,0,1]=4 4886 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|1,0,1]=4 4887 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [1,1,0,0,0,0|1,0,1]=4 4888 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [1,1,0,0,0,0|1,0,0]=3 4889 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [1,1,0,0,0,0|1,0,0]=3 4890 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [1,1,0,0,0,0|1,0,0]=3 4891 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [1,1,0,0,0,0|2,0,0]=4 4892 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [1,1,0,0,0,0|2,0,0]=4 4893 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [1,1,0,0,0,0|2,0,0]=4 4894 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [1,1,0,0,0,0|2,0,0]=4 4895 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [1,1,0,0,0,0|2,0,0]=4 4896 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [1,1,0,0,0,0|2,0,0]=4 4897 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [1,1,0,0,0,0|2,0,0]=4 4898 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [1,1,0,0,0,0|2,0,0]=4 4899 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [1,1,0,0,0,0|2,0,0]=4 4900 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [1,1,0,0,0,0|1,0,0]=3 4901 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [1,1,0,0,0,0|2,0,0]=4 4902 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [1,1,0,0,0,0|2,0,0]=4 4903 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [1,1,0,0,0,0|2,0,0]=4 4904 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [1,1,0,0,0,0|2,0,0]=4 4905 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [1,1,0,0,0,0|2,0,0]=4 4906 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [1,1,0,0,0,0|2,0,0]=4 4907 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [1,1,0,0,0,0|2,0,0]=4 4908 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [1,1,0,0,0,0|2,0,0]=4 4909 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,1,0,0,0,0|0,0,1]=3 4910 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,1,0,0,0,0|0,0,1]=3 4911 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,1,0,0,0,0|0,0,1]=3 4912 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [1,1,0,0,0,0|1,0,0]=3 4913 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [1,1,0,0,0,0|1,0,0]=3 4914 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [1,1,0,0,0,0|1,0,0]=3 4915 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [1,1,0,0,0,0|1,0,0]=3 4916 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [1,1,0,0,0,0|1,0,1]=4 4917 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [1,1,0,0,0,0|1,0,1]=4 4918 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [1,1,0,0,0,0|1,0,1]=4 4919 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [1,1,0,0,0,0|2,0,0]=4 4920 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [1,1,0,0,0,0|2,0,0]=4 4921 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [1,1,0,0,0,0|2,0,0]=4 4922 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [1,1,0,0,0,0|2,0,0]=4 4923 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [1,1,0,0,0,0|2,0,0]=4 4924 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [1,1,0,0,0,0|2,0,0]=4 4925 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [1,1,0,0,0,0|1,0,0]=3 4926 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [1,1,0,0,0,0|1,0,0]=3 4927 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [1,1,0,0,0,0|1,0,0]=3 4928 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [1,1,0,0,0,0|2,0,0]=4 4929 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [1,1,0,0,0,0|2,0,0]=4 4930 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [1,1,0,0,0,0|1,0,0]=3 4931 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [1,1,0,0,0,0|1,0,0]=3 4932 B8R0.5 COCC(=O)CC(F)F 1458a_100000210968_100011934356 [1,1,0,0,0,0|2,0,0]=4 4933 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [1,1,0,0,0,0|2,0,0]=4 4934 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [1,1,0,0,0,0|2,0,0]=4 4935 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [1,1,0,0,0,0|2,0,0]=4 4936 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [1,1,0,0,0,0|2,0,0]=4 4937 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [1,1,0,0,0,0|2,0,0]=4 4938 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [1,1,0,0,0,0|1,0,0]=3 4939 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [1,1,0,0,0,0|1,0,0]=3 4940 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [1,1,0,0,0,0|1,0,0]=3 4941 B8R0.5 CSCC(=O)CC(F)F 1458a_100000184570_100011934356 [1,1,0,0,0,0|2,0,0]=4 4942 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [1,1,0,0,0,0|2,0,0]=4 4943 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [1,1,0,0,0,0|2,0,0]=4 4944 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [1,1,0,0,0,0|2,0,0]=4 4945 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [1,1,0,0,0,0|2,0,0]=4 4946 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [1,1,0,0,0,0|2,0,0]=4 4947 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [1,1,0,0,0,0|2,0,0]=4 4948 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [1,1,0,0,0,0|1,0,0]=3 4949 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [1,1,0,0,0,0|1,0,0]=3 4950 B8R0.5 C[C@@H](O)CC(=O)CC#N 1458a_100011933948_100011214920 [1,1,0,0,0,0|1,0,1]=4 4951 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [1,1,0,0,0,0|1,0,0]=3 4952 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [1,1,0,0,0,0|1,0,0]=3 4953 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [1,1,0,0,0,0|2,0,0]=4 4954 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [1,1,0,0,0,0|2,0,0]=4 4955 B8R0.5 O=C(CCO)CC(F)F 1458a_100011216618_100011934356 [1,1,0,0,0,0|2,0,0]=4 4956 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [1,1,0,0,0,0|1,0,1]=4 4957 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [1,1,0,0,0,0|1,0,1]=4 4958 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [1,1,0,0,0,0|1,0,1]=4 4959 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [1,1,0,0,0,0|1,0,1]=4 4960 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [1,1,0,0,0,0|1,0,1]=4 4961 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [1,1,0,0,0,0|1,0,1]=4 4962 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [1,1,0,0,0,0|1,0,1]=4 4963 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [1,1,0,0,0,0|1,0,1]=4 4964 B8R0.22 CCCC(CCC)NC 2230a_100011207992_200000210301 [1,1,0,0,0,0|1,0,1]=4 4965 B8R0.22 CCCC(CCC)NC 270004a_106832991635_100000210088 [1,1,0,0,0,0|1,0,1]=4 4966 B8R0.22 CCCC(CCC)NC 34a_100011207992_200000210301 [1,1,0,0,0,0|1,0,1]=4 4967 B8R0.22 CCCC(CCC)NC 34a_100102657272_200011218217 [1,1,0,0,0,0|1,0,1]=4 4968 B8R0.22 CCCC(CCC)NC 7a_106832991635_200011218217 [1,1,0,0,0,0|1,0,1]=4 4969 B8R0.22 CCCC(CCC)N[13CH3] 2230a_100011207992_200025704644 [1,1,0,0,0,0|1,0,1]=4 4970 B8R0.22 CCCC(CCC)N[13CH3] 34a_100011207992_200025704644 [1,1,0,0,0,0|1,0,1]=4 4971 B8R0.22 CCCC(CCC)OC 34a_100138415774_200011218217 [1,1,0,0,0,0|0,0,2]=4 4972 B8R0.22 CCCC(CCC)OC 34a_200011218534_200000210301 [1,1,0,0,0,0|0,0,2]=4 4973 B8R0.22 CCCC(CCC)OC 7a_200011218534_200000210301 [1,1,0,0,0,0|0,0,2]=4 4974 B8R0.22 CCCC(CCC)O[13CH3] 34a_200011218534_200025704644 [1,1,0,0,0,0|0,0,2]=4 4975 B8R0.22 CCCC(CCC)O[13CH3] 7a_200011218534_200025704644 [1,1,0,0,0,0|0,0,2]=4 4976 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [1,1,0,0,0,0|0,1,1]=4 4977 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [1,1,0,0,0,0|0,1,1]=4 4978 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [1,1,0,0,0,0|0,1,1]=4 4979 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [1,1,0,0,0,0|0,1,1]=4 4980 B8R0.22 CCCN(CC)CCC 2230a_100000210455_100000210202 [1,1,0,0,0,0|2,0,0]=4 4981 B8R0.22 CCCN(CC)CCC 2230a_100000226822_100000210303 [1,1,0,0,0,0|2,0,0]=4 4982 B8R0.22 CCCN(CC)CCC 269982a_100000210455_100000204670 [1,1,0,0,0,0|2,0,0]=4 4983 B8R0.22 CCCN(CC)CCC 269982a_100000226822_100000210303 [1,1,0,0,0,0|2,0,0]=4 4984 B8R0.22 CCCN(CF)CCC 269982a_100000210455_100015361967 [1,1,0,0,0,0|2,0,0]=4 4985 B8R0.30 CCCC(C)(C)OCC 7a_100000748436_100000210202 [1,1,0,0,0,0|1,0,1]=4 4986 B8R0.30 CCCS(=O)(=O)NCC 270084a_100015525214_100000211391 [1,1,0,0,0,0|2,0,0]=4 4987 B8R0.30 CCCS(=O)(=O)NCC 274078a_100015525214_100000211391 [1,1,0,0,0,0|2,0,0]=4 4988 B8R0.30 CCCS(=O)(=O)NCC 40a_100015525214_100000054278 [1,1,0,0,0,0|2,0,0]=4 4989 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000210554_100000731252 [0,2,0,0,0,0|1,0,1]=4 4990 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000690238_100000210624 [0,2,0,0,0,0|1,0,1]=4 4991 B10R0.6 C#CCCCC(=O)CC(C)O 1458a_100000690238_100011218427 [0,2,0,0,0,0|1,0,1]=4 4992 B10R0.6 C#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000731252 [0,2,0,0,0,0|1,0,1]=4 4993 B10R0.6 C#CCCNC(=O)CC(C)C 11a_100000755551_100000210554 [0,2,0,0,0,0|1,0,1]=4 4994 B10R0.6 C#CCCNC(=O)CC(C)C 1626a_100000755551_100000210554 [0,2,0,0,0,0|1,0,1]=4 4995 B10R0.6 C#CCCNC(=O)CC(C)C 240690a_100000755551_100000210554 [0,2,0,0,0,0|1,0,1]=4 4996 B10R0.6 C#CCCNC(=O)CC(C)C 527a_100000755551_100000210554 [0,2,0,0,0,0|1,0,1]=4 4997 B10R0.6 C#CCCNC(=O)C[C@@H](C)O 240690a_100000755551_100011933948 [0,2,0,0,0,0|1,0,1]=4 4998 B10R0.6 C#CCOCC(=O)CC(C)C 1458a_100011251226_100000210624 [0,2,0,0,0,0|0,0,2]=4 4999 B10R0.6 C#CCOCC(=O)CC(C)O 1458a_100011251226_100011218427 [0,2,0,0,0,0|0,0,2]=4 5000 B10R0.6 C=C(C)CC(=O)C#CCCC 1458a_200011218047_100000748629 [0,2,0,0,0,0|1,0,1]=4 5001 B10R0.6 C=C(C)CC(=O)C=CCCC 1458a_100000212230_100000748629 [0,2,0,0,0,0|1,0,1]=4 5002 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,2,0,0,0,0|1,0,1]=4 5003 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [0,2,0,0,0,0|1,0,1]=4 5004 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [0,2,0,0,0,0|1,0,1]=4 5005 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,2,0,0,0,0|1,0,1]=4 5006 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [0,2,0,0,0,0|1,0,1]=4 5007 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [0,2,0,0,0,0|1,0,1]=4 5008 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [0,2,0,0,0,0|0,0,1]=3 5009 B10R0.6 C=C(C)CC(=O)COCCO 1458a_100000708028_100000748629 [0,2,0,0,0,0|1,0,1]=4 5010 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [0,2,0,0,0,0|0,1,1]=4 5011 B10R0.6 C=C(F)CC(=O)COCCC 1458a_100000745993_100009893438 [0,2,0,0,0,0|0,0,2]=4 5012 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000210554_100000757094 [0,2,0,0,0,0|1,0,1]=4 5013 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000766728_100000210624 [0,2,0,0,0,0|1,0,1]=4 5014 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [0,2,0,0,0,0|1,0,1]=4 5015 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [0,2,0,0,0,0|1,0,1]=4 5016 B10R0.6 C=CCCNC(=O)CC(C)C 11a_100015191253_100000210554 [0,2,0,0,0,0|1,0,1]=4 5017 B10R0.6 C=CCCNC(=O)CC(C)C 1626a_100015191253_100000210554 [0,2,0,0,0,0|1,0,1]=4 5018 B10R0.6 C=CCCNC(=O)CC(C)C 240690a_100015191253_100000210554 [0,2,0,0,0,0|1,0,1]=4 5019 B10R0.6 C=CCCNC(=O)CC(C)C 527a_100015191253_100000210554 [0,2,0,0,0,0|1,0,1]=4 5020 B10R0.6 C=CCCNC(=O)C[C@@H](C)O 240690a_100015191253_100011933948 [0,2,0,0,0,0|1,0,1]=4 5021 B10R0.6 CC#CCNC(=O)CC(C)C 11a_100000685387_100000210554 [0,2,0,0,0,0|1,0,1]=4 5022 B10R0.6 CC#CCNC(=O)CC(C)C 1626a_100000685387_100000210554 [0,2,0,0,0,0|1,0,1]=4 5023 B10R0.6 CC#CCNC(=O)CC(C)C 527a_100000685387_100000210554 [0,2,0,0,0,0|1,0,1]=4 5024 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [0,2,0,0,0,0|0,0,1]=3 5025 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [0,2,0,0,0,0|0,0,1]=3 5026 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000075515_100000210624 [0,2,0,0,0,0|1,0,1]=4 5027 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000210554_100000211468 [0,2,0,0,0,0|1,0,1]=4 5028 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,2,0,0,0,0|1,0,0]=3 5029 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,2,0,0,0,0|1,0,0]=3 5030 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,2,0,0,0,0|1,0,0]=3 5031 B10R0.6 CC(C)CC(=O)COCCO 1458a_100000708028_100000210624 [0,2,0,0,0,0|1,0,0]=3 5032 B10R0.6 CC(C)CC(=O)NCCC#N 11a_100000720768_100000210554 [0,2,0,0,0,0|1,0,1]=4 5033 B10R0.6 CC(C)CC(=O)NCCC#N 1626a_100000720768_100000210554 [0,2,0,0,0,0|1,0,1]=4 5034 B10R0.6 CC(C)CC(=O)NCCC#N 240690a_100000720768_100000210554 [0,2,0,0,0,0|1,0,1]=4 5035 B10R0.6 CC(C)CC(=O)NCCC#N 527a_100000720768_100000210554 [0,2,0,0,0,0|1,0,1]=4 5036 B10R0.6 CC(C)CC(=O)NCCCF 11a_100015189416_100000210554 [0,2,0,0,0,0|1,0,0]=3 5037 B10R0.6 CC(C)CC(=O)NCCCF 1626a_100015189416_100000210554 [0,2,0,0,0,0|1,0,0]=3 5038 B10R0.6 CC(C)CC(=O)NCCCF 240690a_100015189416_100000210554 [0,2,0,0,0,0|1,0,0]=3 5039 B10R0.6 CC(C)CC(=O)NCCCF 527a_100015189416_100000210554 [0,2,0,0,0,0|1,0,0]=3 5040 B10R0.6 CC(C)CC(=O)NCCCO 240690a_100000182051_100000210554 [0,2,0,0,0,0|1,0,0]=3 5041 B10R0.6 CC(C)CC(=O)NCCCO 527a_100000182051_100000210554 [0,2,0,0,0,0|1,0,0]=3 5042 B10R0.6 CC(C)CC(=O)NNCCO 22a_100000210001_100000210554 [0,2,0,0,0,0|2,0,0]=4 5043 B10R0.6 CC(C)CC(C)OCCCBr 34a_100011217188_100000731052 [0,2,0,0,0,0|1,0,1]=4 5044 B10R0.6 CC(C)CC(C)OCCCCl 34a_100000230001_100000731052 [0,2,0,0,0,0|1,0,1]=4 5045 B10R0.6 CC(C)CC(C)OCCCF 34a_100000211805_100011934791 [0,2,0,0,0,0|1,0,1]=4 5046 B10R0.6 CC(C)CC(C)OCCCF 34a_100000759539_100000731052 [0,2,0,0,0,0|1,0,1]=4 5047 B10R0.6 CC(C)CC(C)OCCCF 7a_100000211805_100011934791 [0,2,0,0,0,0|1,0,1]=4 5048 B10R0.6 CC(C)CC(C)OCCCN 34a_100000182051_100000731052 [0,2,0,0,0,0|1,0,1]=4 5049 B10R0.6 CC(C)CC(C)OCCCO 34a_100000211805_100000230001 [0,2,0,0,0,0|1,0,1]=4 5050 B10R0.6 CC(C)CC(C)OCCCO 7a_100000211805_100011215043 [0,2,0,0,0,0|1,0,1]=4 5051 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [0,2,0,0,0,0|2,0,0]=4 5052 B10R0.6 CC(C)NC(=O)COCCBr 34a_100000211926_100000183996 [0,2,0,0,0,0|2,0,0]=4 5053 B10R0.6 CC(C)NC(=O)COCCN 34a_100000210304_100000183996 [0,2,0,0,0,0|2,0,0]=4 5054 B10R0.6 CC(C)NC(=O)COCCO 1626a_100138425928_100000708028 [0,2,0,0,0,0|2,0,0]=4 5055 B10R0.6 CC(C)NC(=O)COCCO 240690a_100138425928_100000708028 [0,2,0,0,0,0|2,0,0]=4 5056 B10R0.6 CC(C)NC(=O)NCCCF 2708a_100015189416_100138425928 [0,2,0,0,0,0|2,0,0]=4 5057 B10R0.6 CC(C)NC(=O)NCCCF 2708a_100138425928_100015189416 [0,2,0,0,0,0|2,0,0]=4 5058 B10R0.6 CC(C)NC(=O)NCCCF 273464a_100138425928_100015189416 [0,2,0,0,0,0|2,0,0]=4 5059 B10R0.6 CC(C)NC(=O)NCCCF 512a_100015189416_100138425928 [0,2,0,0,0,0|2,0,0]=4 5060 B10R0.6 CC(C)NC(=O)NCCCF 512a_100138425928_100015189416 [0,2,0,0,0,0|2,0,0]=4 5061 B10R0.6 CC(C)NC(=O)NCCCO 2708a_100138425928_100000182051 [0,2,0,0,0,0|2,0,0]=4 5062 B10R0.6 CC(C)NC(=O)NCCCO 273464a_100138425928_100000182051 [0,2,0,0,0,0|2,0,0]=4 5063 B10R0.6 CC(C)NC(=O)NCCCO 512a_100138425928_100000182051 [0,2,0,0,0,0|2,0,0]=4 5064 B10R0.6 CC(C)OC(=O)COCCBr 34a_100000211926_100011215430 [0,2,0,0,0,0|2,0,0]=4 5065 B10R0.6 CC(C)OC(=O)COCCN 34a_100000210304_100011215430 [0,2,0,0,0,0|2,0,0]=4 5066 B10R0.6 CC(C)OC(=O)OCSCF 62a_100000003507_100015361967 [0,2,0,0,0,0|2,0,0]=4 5067 B10R0.6 CC(C)OC(=O)OCSCF 62a_100015361967_100000003507 [0,2,0,0,0,0|2,0,0]=4 5068 B10R0.6 CC(O)CC(=O)CCCC#N 1458a_100000075515_100011218427 [0,2,0,0,0,0|1,0,1]=4 5069 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,2,0,0,0,0|1,0,0]=3 5070 B10R0.6 CC(O)CC(=O)COCCO 1458a_100000708028_100011218427 [0,2,0,0,0,0|1,0,0]=3 5071 B10R0.6 CC/C=C/CC(=O)CC(C)C 1458a_100016274230_100000210624 [0,2,0,0,0,0|1,0,1]=4 5072 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [0,2,0,0,0,0|1,0,1]=4 5073 B10R0.6 CC/C=C\CC(=O)CC(C)C 1458a_100000210554_100103147603 [0,2,0,0,0,0|1,0,1]=4 5074 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [0,2,0,0,0,0|1,0,1]=4 5075 B10R0.6 CCC#CCC(=O)CC(C)C 1458a_100000210554_100009813939 [0,2,0,0,0,0|1,0,1]=4 5076 B10R0.6 CCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009813939 [0,2,0,0,0,0|1,0,1]=4 5077 B10R0.6 CCC=NNC(=O)CC(C)C 4a_100000189787_100000210100 [0,2,0,0,0,0|1,0,1]=4 5078 B10R0.6 CCCC#CC(=O)CC(C)C 1458a_200011218047_100000210624 [0,2,0,0,0,0|1,0,0]=3 5079 B10R0.6 CCCC#CC(=O)CC(C)O 1458a_200011218047_100011218427 [0,2,0,0,0,0|1,0,0]=3 5080 B10R0.6 CCCC#CC(=O)CC(F)F 1458a_200011218047_100011934356 [0,2,0,0,0,0|2,0,0]=4 5081 B10R0.6 CCCC#CC(=O)NC(C)C 240690a_100138425928_200011218047 [0,2,0,0,0,0|2,0,0]=4 5082 B10R0.6 CCCC=CC(=O)CC(C)C 1458a_100000212230_100000210624 [0,2,0,0,0,0|1,0,0]=3 5083 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [0,2,0,0,0,0|1,0,0]=3 5084 B10R0.6 CCCC=CC(=O)CC(F)F 1458a_100000212230_100011934356 [0,2,0,0,0,0|2,0,0]=4 5085 B10R0.6 CCCC=CC(=O)NC(C)C 11a_100138425928_100000212230 [0,2,0,0,0,0|2,0,0]=4 5086 B10R0.6 CCCC=CC(=O)NC(C)C 1626a_100138425928_100000212230 [0,2,0,0,0,0|2,0,0]=4 5087 B10R0.6 CCCC=CC(=O)NC(C)C 240690a_100138425928_100000212230 [0,2,0,0,0,0|2,0,0]=4 5088 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,2,0,0,0,0|1,0,1]=4 5089 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,2,0,0,0,0|1,0,0]=3 5090 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,2,0,0,0,0|1,0,0]=3 5091 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,2,0,0,0,0|1,0,0]=3 5092 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [0,2,0,0,0,0|2,0,0]=4 5093 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,2,0,0,0,0|2,0,0]=4 5094 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,2,0,0,0,0|2,0,0]=4 5095 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,2,0,0,0,0|2,0,0]=4 5096 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,2,0,0,0,0|1,0,0]=3 5097 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,2,0,0,0,0|2,0,0]=4 5098 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 5099 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 5100 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 5101 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 5102 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,2,0,0,0,0|1,0,1]=4 5103 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,2,0,0,0,0|1,0,0]=3 5104 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,2,0,0,0,0|1,0,0]=3 5105 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,2,0,0,0,0|1,0,0]=3 5106 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,2,0,0,0,0|1,0,0]=3 5107 B10R0.6 CCCCNC(=O)CN(C)C 11a_100000102301_100000750896 [0,2,0,0,0,0|2,0,0]=4 5108 B10R0.6 CCCCNC(=O)CN(C)C 2230a_100102631434_100000182744 [0,2,0,0,0,0|2,0,0]=4 5109 B10R0.6 CCCCNC(=O)CN(C)C 2230a_200000213093_200000210301 [0,2,0,0,0,0|2,0,0]=4 5110 B10R0.6 CCCCNC(=O)CN(C)C 240690a_100000102301_100000750896 [0,2,0,0,0,0|2,0,0]=4 5111 B10R0.6 CCCCNC(=O)CN(C)C 269982a_100102631434_100000182744 [0,2,0,0,0,0|2,0,0]=4 5112 B10R0.6 CCCCNC(=O)CN(C)C 269982a_200000213093_200000210301 [0,2,0,0,0,0|2,0,0]=4 5113 B10R0.6 CCCCNC(=O)CN(C)C 527a_100000102301_100000750896 [0,2,0,0,0,0|2,0,0]=4 5114 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 2230a_200000213093_200025704644 [0,2,0,0,0,0|2,0,0]=4 5115 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 269982a_200000213093_200025704644 [0,2,0,0,0,0|2,0,0]=4 5116 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,2,0,0,0,0|1,0,0]=3 5117 B10R0.6 CCCCNC(=O)C[S+](C)C 11a_100000102301_200159257847 [0,2,0,0,0,0|2,0,0]=4 5118 B10R0.6 CCCCNC(=O)C[S+](C)C 1626a_100000102301_200159257847 [0,2,0,0,0,0|2,0,0]=4 5119 B10R0.6 CCCCNC(=O)C[S+](C)C 240690a_100000102301_200159257847 [0,2,0,0,0,0|2,0,0]=4 5120 B10R0.6 CCCCNC(=O)C[S+](C)C 527a_100000102301_200159257847 [0,2,0,0,0,0|2,0,0]=4 5121 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [0,2,0,0,0,0|2,0,0]=4 5122 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [0,2,0,0,0,0|2,0,0]=4 5123 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [0,2,0,0,0,0|2,0,0]=4 5124 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [0,2,0,0,0,0|2,0,0]=4 5125 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [0,2,0,0,0,0|2,0,0]=4 5126 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,2,0,0,0,0|0,0,1]=3 5127 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [0,2,0,0,0,0|1,0,0]=3 5128 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [0,2,0,0,0,0|1,0,0]=3 5129 B10R0.6 CCCCOC(C)CC(C)C 34a_100000210227_100000731052 [0,2,0,0,0,0|1,0,1]=4 5130 B10R0.6 CCCCOC(C)CC(C)C 34a_100000211805_100000210210 [0,2,0,0,0,0|1,0,1]=4 5131 B10R0.6 CCCCOC(C)CC(C)C 7a_100000210227_100000731052 [0,2,0,0,0,0|1,0,1]=4 5132 B10R0.6 CCCCOC(C)CC(C)C 7a_100000211805_100000210211 [0,2,0,0,0,0|1,0,1]=4 5133 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [0,2,0,0,0,0|2,0,0]=4 5134 B10R0.6 CCCNNC(=O)CC(C)C 22a_100000740057_100000210554 [0,2,0,0,0,0|1,0,0]=3 5135 B10R0.6 CCCNNC(=O)CN(C)C 22a_100000740057_100000750896 [0,2,0,0,0,0|2,0,0]=4 5136 B10R0.6 CCCNNC(=O)C[C@@H](C)O 22a_100000740057_100011933948 [0,2,0,0,0,0|1,0,0]=3 5137 B10R0.6 CCCNNC(=O)C[S+](C)C 22a_100000740057_200159257847 [0,2,0,0,0,0|2,0,0]=4 5138 B10R0.6 CCCNNC(=O)NC(C)C 273464a_100138425928_100000740057 [0,2,0,0,0,0|2,0,0]=4 5139 B10R0.6 CCCNNC(=O)NC(C)C 512a_100000740057_100138425928 [0,2,0,0,0,0|2,0,0]=4 5140 B10R0.6 CCCNNC(=O)NC(C)C 512a_100138425928_100000740057 [0,2,0,0,0,0|2,0,0]=4 5141 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [0,2,0,0,0,0|1,0,1]=4 5142 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [0,2,0,0,0,0|1,0,1]=4 5143 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,2,0,0,0,0|0,0,0]=2 5144 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,2,0,0,0,0|0,0,0]=2 5145 B10R0.6 CCCOCC(=O)CC(F)F 1458a_100000745993_100011934356 [0,2,0,0,0,0|1,0,0]=3 5146 B10R0.6 CCCOCC(=O)C[N+](=O)[O-] 1458a_100000745993_100000761209 [0,2,0,0,0,0|2,0,0]=4 5147 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [0,2,0,0,0,0|1,0,0]=3 5148 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [0,2,0,0,0,0|1,0,0]=3 5149 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [0,2,0,0,0,0|1,0,0]=3 5150 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [0,2,0,0,0,0|1,0,0]=3 5151 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [0,2,0,0,0,0|1,0,0]=3 5152 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,2,0,0,0,0|1,0,0]=3 5153 B10R0.6 CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210303 [0,2,0,0,0,0|1,0,1]=4 5154 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [0,2,0,0,0,0|0,1,0]=3 5155 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,2,0,0,0,0|0,1,0]=3 5156 B10R0.6 CCCSCC(=O)CC(F)F 1458a_100000217233_100011934356 [0,2,0,0,0,0|1,1,0]=4 5157 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [0,2,0,0,0,0|1,1,0]=4 5158 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [0,2,0,0,0,0|1,1,0]=4 5159 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [0,2,0,0,0,0|1,1,0]=4 5160 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [0,2,0,0,0,0|1,1,0]=4 5161 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [0,2,0,0,0,0|1,1,0]=4 5162 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [0,2,0,0,0,0|1,1,0]=4 5163 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,2,0,0,0,0|1,1,0]=4 5164 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,2,0,0,0,0|1,1,0]=4 5165 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [0,2,0,0,0,0|2,0,0]=4 5166 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,2,0,0,0,0|2,0,0]=4 5167 B10R0.6 CCOC=CC(=O)CC(C)C 1458a_100016266692_100000210624 [0,2,0,0,0,0|1,0,1]=4 5168 B10R0.6 CCOC=CC(=O)CC(C)O 1458a_100016266692_100011218427 [0,2,0,0,0,0|1,0,1]=4 5169 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,2,0,0,0,0|1,0,0]=3 5170 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,2,0,0,0,0|1,0,0]=3 5171 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,2,0,0,0,0|1,0,0]=3 5172 B10R0.6 CCOCCC(=O)CC(F)F 1458a_100000749530_100011934356 [0,2,0,0,0,0|2,0,0]=4 5173 B10R0.6 CCOCCC(=O)CN(C)C 1458a_100000750896_100011215890 [0,2,0,0,0,0|2,0,0]=4 5174 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,2,0,0,0,0|1,0,0]=3 5175 B10R0.6 CCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215890 [0,2,0,0,0,0|2,0,0]=4 5176 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [0,2,0,0,0,0|2,0,0]=4 5177 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [0,2,0,0,0,0|2,0,0]=4 5178 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [0,2,0,0,0,0|2,0,0]=4 5179 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [0,2,0,0,0,0|2,0,0]=4 5180 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [0,2,0,0,0,0|1,0,0]=3 5181 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [0,2,0,0,0,0|1,0,0]=3 5182 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,2,0,0,0,0|1,0,0]=3 5183 B10R0.6 CCSCCC(=O)CC(F)F 1458a_100000230768_100011934356 [0,2,0,0,0,0|2,0,0]=4 5184 B10R0.6 CCSCCC(=O)CN(C)C 1458a_100000750896_100000757381 [0,2,0,0,0,0|2,0,0]=4 5185 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,2,0,0,0,0|1,0,0]=3 5186 B10R0.6 CCSCCC(=O)C[S+](C)C 1458a_200159257847_100000757381 [0,2,0,0,0,0|2,0,0]=4 5187 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [0,2,0,0,0,0|2,0,0]=4 5188 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [0,2,0,0,0,0|2,0,0]=4 5189 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [0,2,0,0,0,0|2,0,0]=4 5190 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [0,2,0,0,0,0|2,0,0]=4 5191 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [0,2,0,0,0,0|2,0,0]=4 5192 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [0,2,0,0,0,0|2,0,0]=4 5193 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,2,0,0,0,0|2,0,0]=4 5194 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,2,0,0,0,0|2,0,0]=4 5195 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [0,2,0,0,0,0|1,0,0]=3 5196 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [0,2,0,0,0,0|1,0,0]=3 5197 B10R0.6 CN(C)CC(=O)CCCCF 1458a_100000750896_100000729493 [0,2,0,0,0,0|2,0,0]=4 5198 B10R0.6 CN(C)CC(=O)CCCCO 1458a_100000750896_100000210776 [0,2,0,0,0,0|2,0,0]=4 5199 B10R0.6 CN(C)CC(=O)NCCCF 11a_100015189416_100000750896 [0,2,0,0,0,0|2,0,0]=4 5200 B10R0.6 CN(C)CC(=O)NCCCF 240690a_100015189416_100000750896 [0,2,0,0,0,0|2,0,0]=4 5201 B10R0.6 CN(C)CC(=O)NCCCF 527a_100015189416_100000750896 [0,2,0,0,0,0|2,0,0]=4 5202 B10R0.6 CN(C)CC(=O)NCCCO 240690a_100000182051_100000750896 [0,2,0,0,0,0|2,0,0]=4 5203 B10R0.6 CN(C)CC(=O)NCCCO 527a_100000182051_100000750896 [0,2,0,0,0,0|2,0,0]=4 5204 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [0,2,0,0,0,0|0,0,1]=3 5205 B10R0.6 COCC=CC(=O)CC(C)C 1458a_100016285016_100000210624 [0,2,0,0,0,0|1,0,1]=4 5206 B10R0.6 COCC=CC(=O)CC(C)O 1458a_100016285016_100011218427 [0,2,0,0,0,0|1,0,1]=4 5207 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,2,0,0,0,0|1,0,0]=3 5208 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,2,0,0,0,0|1,0,0]=3 5209 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,2,0,0,0,0|1,0,0]=3 5210 B10R0.6 COCCCC(=O)CC(F)F 1458a_100000741012_100011934356 [0,2,0,0,0,0|2,0,0]=4 5211 B10R0.6 COCCCC(=O)CN(C)C 1458a_100000750896_100000740836 [0,2,0,0,0,0|2,0,0]=4 5212 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,2,0,0,0,0|1,0,0]=3 5213 B10R0.6 COCCCC(=O)C[S+](C)C 1458a_200159257847_100000740836 [0,2,0,0,0,0|2,0,0]=4 5214 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [0,2,0,0,0,0|2,0,0]=4 5215 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [0,2,0,0,0,0|2,0,0]=4 5216 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [0,2,0,0,0,0|2,0,0]=4 5217 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [0,2,0,0,0,0|2,0,0]=4 5218 B10R0.6 COCCNC(=O)CC(=O)C 1458a_100000070787_100000183275 [0,2,0,0,0,0|1,0,1]=4 5219 B10R0.6 COCCNC(=O)CC(C)C 1626a_100000209980_100000210554 [0,2,0,0,0,0|1,0,0]=3 5220 B10R0.6 COCCNC(=O)CC(C)C 240690a_100000209980_100000210554 [0,2,0,0,0,0|1,0,0]=3 5221 B10R0.6 COCCNC(=O)CC(C)C 527a_100000209980_100000210554 [0,2,0,0,0,0|1,0,0]=3 5222 B10R0.6 COCCNC(=O)CN(C)C 2230a_100020672463_200000210301 [0,2,0,0,0,0|2,0,0]=4 5223 B10R0.6 COCCNC(=O)CN(C)C 2230a_100102631434_100000183275 [0,2,0,0,0,0|2,0,0]=4 5224 B10R0.6 COCCNC(=O)CN(C)C 240690a_100000209980_100000750896 [0,2,0,0,0,0|2,0,0]=4 5225 B10R0.6 COCCNC(=O)CN(C)C 269982a_100020672463_200000210301 [0,2,0,0,0,0|2,0,0]=4 5226 B10R0.6 COCCNC(=O)CN(C)C 269982a_100102631434_100000183275 [0,2,0,0,0,0|2,0,0]=4 5227 B10R0.6 COCCNC(=O)CN(C)C 527a_100000209980_100000750896 [0,2,0,0,0,0|2,0,0]=4 5228 B10R0.6 COCCNC(=O)CN(C)[13CH3] 2230a_100020672463_200025704644 [0,2,0,0,0,0|2,0,0]=4 5229 B10R0.6 COCCNC(=O)CN(C)[13CH3] 269982a_100020672463_200025704644 [0,2,0,0,0,0|2,0,0]=4 5230 B10R0.6 COCCNC(=O)C[C@@H](C)O 240690a_100000209980_100011933948 [0,2,0,0,0,0|1,0,0]=3 5231 B10R0.6 COCCNC(=O)C[S+](C)C 1626a_100000209980_200159257847 [0,2,0,0,0,0|2,0,0]=4 5232 B10R0.6 COCCNC(=O)C[S+](C)C 240690a_100000209980_200159257847 [0,2,0,0,0,0|2,0,0]=4 5233 B10R0.6 COCCNC(=O)C[S+](C)C 527a_100000209980_200159257847 [0,2,0,0,0,0|2,0,0]=4 5234 B10R0.6 COCCNC(=O)NC(C)C 2708a_100138425928_100000209980 [0,2,0,0,0,0|2,0,0]=4 5235 B10R0.6 COCCNC(=O)NC(C)C 273464a_100138425928_100000209980 [0,2,0,0,0,0|2,0,0]=4 5236 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [0,2,0,0,0,0|0,0,1]=3 5237 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [0,2,0,0,0,0|0,0,1]=3 5238 B10R0.6 COCCOC(=O)CN(C)C 2230a_100102631434_200000040189 [0,2,0,0,0,0|1,0,0]=3 5239 B10R0.6 COCCOC(=O)CN(C)C 269982a_100102631434_200000040189 [0,2,0,0,0,0|1,0,0]=3 5240 B10R0.6 COCCOC(C)CC(C)C 34a_100000210237_100000731052 [0,2,0,0,0,0|1,0,1]=4 5241 B10R0.6 COCCOC(C)CC(C)C 34a_100000211805_100011201679 [0,2,0,0,0,0|1,0,1]=4 5242 B10R0.6 COCCOC(C)CC(C)C 7a_100000211805_100000233755 [0,2,0,0,0,0|1,0,1]=4 5243 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,2,0,0,0,0|1,0,0]=3 5244 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,2,0,0,0,0|1,0,0]=3 5245 B10R0.6 CSCCCC(=O)CC(F)F 1458a_100000173376_100011934356 [0,2,0,0,0,0|2,0,0]=4 5246 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [0,2,0,0,0,0|2,0,0]=4 5247 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [0,2,0,0,0,0|2,0,0]=4 5248 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [0,2,0,0,0,0|2,0,0]=4 5249 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [0,2,0,0,0,0|2,0,0]=4 5250 B10R0.6 CSCCNC(=O)CC(C)C 11a_100020590264_100000210554 [0,2,0,0,0,0|1,0,0]=3 5251 B10R0.6 CSCCNC(=O)CC(C)C 1626a_100020590264_100000210554 [0,2,0,0,0,0|1,0,0]=3 5252 B10R0.6 CSCCNC(=O)CC(C)C 240690a_100020590264_100000210554 [0,2,0,0,0,0|1,0,0]=3 5253 B10R0.6 CSCCNC(=O)CC(C)C 527a_100020590264_100000210554 [0,2,0,0,0,0|1,0,0]=3 5254 B10R0.6 CSCCNC(=O)CN(C)C 11a_100020590264_100000750896 [0,2,0,0,0,0|2,0,0]=4 5255 B10R0.6 CSCCNC(=O)CN(C)C 240690a_100020590264_100000750896 [0,2,0,0,0,0|2,0,0]=4 5256 B10R0.6 CSCCNC(=O)CN(C)C 527a_100020590264_100000750896 [0,2,0,0,0,0|2,0,0]=4 5257 B10R0.6 CSCCNC(=O)C[C@@H](C)O 240690a_100020590264_100011933948 [0,2,0,0,0,0|1,0,0]=3 5258 B10R0.6 CSCCNC(=O)C[S+](C)C 11a_100020590264_200159257847 [0,2,0,0,0,0|2,0,0]=4 5259 B10R0.6 CSCCNC(=O)C[S+](C)C 1626a_100020590264_200159257847 [0,2,0,0,0,0|2,0,0]=4 5260 B10R0.6 CSCCNC(=O)C[S+](C)C 240690a_100020590264_200159257847 [0,2,0,0,0,0|2,0,0]=4 5261 B10R0.6 CSCCNC(=O)C[S+](C)C 527a_100020590264_200159257847 [0,2,0,0,0,0|2,0,0]=4 5262 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100020590264_100138425928 [0,2,0,0,0,0|2,0,0]=4 5263 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100138425928_100020590264 [0,2,0,0,0,0|2,0,0]=4 5264 B10R0.6 CSCCNC(=O)NC(C)C 273464a_100138425928_100020590264 [0,2,0,0,0,0|2,0,0]=4 5265 B10R0.6 CSCCNC(=O)NC(C)C 512a_100020590264_100138425928 [0,2,0,0,0,0|2,0,0]=4 5266 B10R0.6 CSCCNC(=O)NC(C)C 512a_100138425928_100020590264 [0,2,0,0,0,0|2,0,0]=4 5267 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [0,2,0,0,0,0|0,0,1]=3 5268 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [0,2,0,0,0,0|0,0,1]=3 5269 B10R0.6 CSCCOC(C)CC(C)C 34a_100000211805_100000212216 [0,2,0,0,0,0|1,0,1]=4 5270 B10R0.6 CSCCOC(C)CC(C)C 34a_100000230434_100000731052 [0,2,0,0,0,0|1,0,1]=4 5271 B10R0.6 CSCCOC(C)CC(C)C 7a_100000211805_100000212216 [0,2,0,0,0,0|1,0,1]=4 5272 B10R0.6 CSCCOC(C)CC(C)C 7a_100000230434_100000731052 [0,2,0,0,0,0|1,0,1]=4 5273 B10R0.6 C[C@@H](O)CC(=O)CCCC#N 1458a_100011933948_100000211468 [0,2,0,0,0,0|1,0,1]=4 5274 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,2,0,0,0,0|1,0,0]=3 5275 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,2,0,0,0,0|1,0,0]=3 5276 B10R0.6 C[C@@H](O)CC(=O)NCCC#N 240690a_100000720768_100011933948 [0,2,0,0,0,0|1,0,1]=4 5277 B10R0.6 C[C@@H](O)CC(=O)NCCCF 240690a_100015189416_100011933948 [0,2,0,0,0,0|1,0,0]=3 5278 B10R0.6 C[C@@H](O)CC(=O)NCCCO 240690a_100000182051_100011933948 [0,2,0,0,0,0|1,0,0]=3 5279 B10R0.6 C[C@@H](O)CC(=O)NNCCO 22a_100000210001_100011933948 [0,2,0,0,0,0|2,0,0]=4 5280 B10R0.6 C[S+](C)CC(=O)CCCCF 1458a_200159257847_100000729493 [0,2,0,0,0,0|2,0,0]=4 5281 B10R0.6 C[S+](C)CC(=O)CCCCO 1458a_200159257847_100000210776 [0,2,0,0,0,0|2,0,0]=4 5282 B10R0.6 C[S+](C)CC(=O)NCCCF 11a_100015189416_200159257847 [0,2,0,0,0,0|2,0,0]=4 5283 B10R0.6 C[S+](C)CC(=O)NCCCF 1626a_100015189416_200159257847 [0,2,0,0,0,0|2,0,0]=4 5284 B10R0.6 C[S+](C)CC(=O)NCCCF 240690a_100015189416_200159257847 [0,2,0,0,0,0|2,0,0]=4 5285 B10R0.6 C[S+](C)CC(=O)NCCCF 527a_100015189416_200159257847 [0,2,0,0,0,0|2,0,0]=4 5286 B10R0.6 C[S+](C)CC(=O)NCCCO 240690a_100000182051_200159257847 [0,2,0,0,0,0|2,0,0]=4 5287 B10R0.6 C[S+](C)CC(=O)NCCCO 527a_100000182051_200159257847 [0,2,0,0,0,0|2,0,0]=4 5288 B10R0.6 O=C(CCCCO)CC(F)F 1458a_100000695505_100011934356 [0,2,0,0,0,0|2,0,0]=4 5289 B10R0.6 O=C(COCCO)CC(F)F 1458a_100000708028_100011934356 [0,2,0,0,0,0|2,0,0]=4 5290 B10R0.18 C#CC(=O)CC(=O)OCCC 1458a_100000211873_200011215008 [0,2,0,0,0,0|0,0,2]=4 5291 B10R0.18 C#CC(C)NC(=O)CCCC 11a_100000707721_100000210183 [0,2,0,0,0,0|2,0,0]=4 5292 B10R0.18 C#CC(C)NC(=O)CCCC 1626a_100000707721_100000210183 [0,2,0,0,0,0|2,0,0]=4 5293 B10R0.18 C#CC(C)NC(=O)CCCC 240690a_100000707721_100000210183 [0,2,0,0,0,0|2,0,0]=4 5294 B10R0.18 C#CC(C)NC(=O)CCCC 527a_100000707721_100000210183 [0,2,0,0,0,0|2,0,0]=4 5295 B10R0.18 C#CC(C)NC(=O)NCCC 2708a_100000707721_100020643023 [0,2,0,0,0,0|2,0,0]=4 5296 B10R0.18 C#CC(C)NC(=O)NCCC 2708a_100020643023_100000707721 [0,2,0,0,0,0|2,0,0]=4 5297 B10R0.18 C#CC(C)NC(=O)NCCC 273464a_100000707721_100020643023 [0,2,0,0,0,0|2,0,0]=4 5298 B10R0.18 C#CC(C)NC(=O)NCCC 273464a_100020643023_100000707721 [0,2,0,0,0,0|2,0,0]=4 5299 B10R0.18 C#CC(C)NC(=O)NCCC 512a_100000707721_100020643023 [0,2,0,0,0,0|2,0,0]=4 5300 B10R0.18 C#CC(C)NC(=O)NCCC 512a_100020643023_100000707721 [0,2,0,0,0,0|2,0,0]=4 5301 B10R0.18 C#CCCC(=O)CC(C)CC 1458a_100000692101_100000748023 [0,2,0,0,0,0|1,0,1]=4 5302 B10R0.18 C#CCCC(=O)CC(C)CC 1458a_100000708755_100000753159 [0,2,0,0,0,0|1,0,1]=4 5303 B10R0.18 C#CCCC(=O)CC(O)CC 1458a_100000692101_100011218378 [0,2,0,0,0,0|1,0,1]=4 5304 B10R0.18 C#CCCC(=O)CC(O)CC 1458a_100011667805_100000753159 [0,2,0,0,0,0|1,0,1]=4 5305 B10R0.18 C#CCCC(=O)C[C@@H](C)CC 1458a_100000692101_100009816398 [0,2,0,0,0,0|1,0,1]=4 5306 B10R0.18 C#CCCC(=O)NC(C)CC 11a_100000209981_100000692101 [0,2,0,0,0,0|1,0,1]=4 5307 B10R0.18 C#CCCC(=O)NC(C)CC 1626a_100000209981_100000692101 [0,2,0,0,0,0|1,0,1]=4 5308 B10R0.18 C#CCCC(=O)NC(C)CC 240690a_100000209981_100000692101 [0,2,0,0,0,0|1,0,1]=4 5309 B10R0.18 C#CCCC(=O)NC(C)CC 527a_100000209981_100000692101 [0,2,0,0,0,0|1,0,1]=4 5310 B10R0.18 C/C=C/CC(=O)CC(C)CC 1458a_100000708755_100102629194 [0,2,0,0,0,0|1,0,1]=4 5311 B10R0.18 C/C=C/CC(=O)CC(O)CC 1458a_100011667805_100102629194 [0,2,0,0,0,0|1,0,1]=4 5312 B10R0.18 C=C(CC(=O)CC)OCOC 1458a_100000210414_100000042856 [0,2,0,0,0,0|2,0,0]=4 5313 B10R0.18 C=C(CN(C)CC)OCOC 269982a_100000225621_100000042856 [0,2,0,0,0,0|2,0,0]=4 5314 B10R0.18 C=CC(=O)CC(=O)OCCC 1458a_100000185746_200011215008 [0,2,0,0,0,0|0,0,2]=4 5315 B10R0.18 C=CC(C)CC(=O)CCCC 1458a_100011934298_100000210211 [0,2,0,0,0,0|1,0,0]=3 5316 B10R0.18 C=CC(C)CC(=O)CCCF 1458a_100011934298_100011934791 [0,2,0,0,0,0|2,0,0]=4 5317 B10R0.18 C=CC(C)CC(=O)CCCO 1458a_100011934298_100011215043 [0,2,0,0,0,0|2,0,0]=4 5318 B10R0.18 C=CC(C)CC(=O)CCOC 1458a_100011934298_100000233755 [0,2,0,0,0,0|2,0,0]=4 5319 B10R0.18 C=CC(C)CC(=O)CCSC 1458a_100011934298_100000751147 [0,2,0,0,0,0|2,0,0]=4 5320 B10R0.18 C=CC(C)CC(=O)NCCC 11a_100020643023_100011934298 [0,2,0,0,0,0|1,0,0]=3 5321 B10R0.18 C=CC(C)CC(=O)NCCC 1626a_100020643023_100011934298 [0,2,0,0,0,0|1,0,0]=3 5322 B10R0.18 C=CC(C)CC(=O)NCCC 240690a_100020643023_100011934298 [0,2,0,0,0,0|1,0,0]=3 5323 B10R0.18 C=CC(C)CC(=O)NCCC 527a_100020643023_100011934298 [0,2,0,0,0,0|1,0,0]=3 5324 B10R0.18 C=CC(C)CC(=O)NCCF 11a_100000724931_100011934298 [0,2,0,0,0,0|2,0,0]=4 5325 B10R0.18 C=CC(C)CC(=O)NCCF 1626a_100000724931_100011934298 [0,2,0,0,0,0|2,0,0]=4 5326 B10R0.18 C=CC(C)CC(=O)NCCF 240690a_100000724931_100011934298 [0,2,0,0,0,0|2,0,0]=4 5327 B10R0.18 C=CC(C)CC(=O)NCCF 527a_100000724931_100011934298 [0,2,0,0,0,0|2,0,0]=4 5328 B10R0.18 C=CC(C)CC(=O)NCCO 240690a_100000210304_100011934298 [0,2,0,0,0,0|2,0,0]=4 5329 B10R0.18 C=CC(C)CC(=O)NCCO 527a_100000210304_100011934298 [0,2,0,0,0,0|2,0,0]=4 5330 B10R0.18 C=CC(C)CC(=O)NNCC 22a_100000756455_100011934298 [0,2,0,0,0,0|2,0,0]=4 5331 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000708755_100000754431 [0,2,0,0,0,0|1,0,1]=4 5332 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000749702_100000748023 [0,2,0,0,0,0|1,0,1]=4 5333 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100000749702_100011218378 [0,2,0,0,0,0|1,0,1]=4 5334 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100011667805_100000754431 [0,2,0,0,0,0|1,0,1]=4 5335 B10R0.18 C=CCCC(=O)C[C@@H](C)CC 1458a_100000749702_100009816398 [0,2,0,0,0,0|1,0,1]=4 5336 B10R0.18 C=CCCC(=O)NC(C)CC 11a_100000209981_100000749702 [0,2,0,0,0,0|1,0,1]=4 5337 B10R0.18 C=CCCC(=O)NC(C)CC 1626a_100000209981_100000749702 [0,2,0,0,0,0|1,0,1]=4 5338 B10R0.18 C=CCCC(=O)NC(C)CC 240690a_100000209981_100000749702 [0,2,0,0,0,0|1,0,1]=4 5339 B10R0.18 C=CCCC(=O)NC(C)CC 527a_100000209981_100000749702 [0,2,0,0,0,0|1,0,1]=4 5340 B10R0.18 C=CCOC(=O)CC(=O)CC 1458a_100000210414_100000033060 [0,2,0,0,0,0|0,0,2]=4 5341 B10R0.18 C=CCOC(=O)CN(C)CC 2230a_100000225621_100000033060 [0,2,0,0,0,0|0,0,2]=4 5342 B10R0.18 C=CCOC(=O)CN(C)CC 269982a_100000225621_100000033060 [0,2,0,0,0,0|0,0,2]=4 5343 B10R0.18 CC#CCC(=O)CC(C)CC 1458a_100000708755_100000748600 [0,2,0,0,0,0|1,0,1]=4 5344 B10R0.18 CC#CCC(=O)CC(O)CC 1458a_100011667805_100000748600 [0,2,0,0,0,0|1,0,1]=4 5345 B10R0.18 CC=CCC(=O)CC(C)CC 1458a_100000708755_100000070051 [0,2,0,0,0,0|1,0,1]=4 5346 B10R0.18 CC=CCC(=O)CC(C)CC 1458a_100121576822_100000748023 [0,2,0,0,0,0|1,0,1]=4 5347 B10R0.18 CC=CCC(=O)CC(O)CC 1458a_100011667805_100000070051 [0,2,0,0,0,0|1,0,1]=4 5348 B10R0.18 CC=CCC(=O)CC(O)CC 1458a_100121576822_100011218378 [0,2,0,0,0,0|1,0,1]=4 5349 B10R0.18 CC=CCC(=O)C[C@@H](C)CC 1458a_100121576822_100009816398 [0,2,0,0,0,0|1,0,1]=4 5350 B10R0.18 CC=CCC(=O)NC(C)CC 11a_100000209981_100121576822 [0,2,0,0,0,0|1,0,1]=4 5351 B10R0.18 CC=CCC(=O)NC(C)CC 1626a_100000209981_100121576822 [0,2,0,0,0,0|1,0,1]=4 5352 B10R0.18 CC=CCC(=O)NC(C)CC 240690a_100000209981_100121576822 [0,2,0,0,0,0|1,0,1]=4 5353 B10R0.18 CC=CCC(=O)NC(C)CC 527a_100000209981_100121576822 [0,2,0,0,0,0|1,0,1]=4 5354 B10R0.18 CCC#CC(=O)CC(=O)CC 1458a_100011827653_100000747405 [0,2,0,0,0,0|1,0,1]=4 5355 B10R0.18 CCC#CC(=O)CC(C)CC 1458a_100011827653_100000748023 [0,2,0,0,0,0|1,0,1]=4 5356 B10R0.18 CCC#CC(=O)CC(O)CC 1458a_100011827653_100011218378 [0,2,0,0,0,0|1,0,1]=4 5357 B10R0.18 CCC#CC(=O)C[C@@H](C)CC 1458a_100011827653_100009816398 [0,2,0,0,0,0|1,0,1]=4 5358 B10R0.18 CCC#CC(=O)C[C@@H](C)CO 1458a_100011827653_100000059175 [0,2,0,0,0,0|1,0,1]=4 5359 B10R0.18 CCC(=CC(=O)CCCF)C 1458a_100020758463_100011934791 [0,2,0,0,0,0|1,0,1]=4 5360 B10R0.18 CCC(=CC(=O)CCCO)C 1458a_100020758463_100011215043 [0,2,0,0,0,0|1,0,1]=4 5361 B10R0.18 CCC(=CC(=O)CCOC)C 1458a_100020758463_100000233755 [0,2,0,0,0,0|1,0,1]=4 5362 B10R0.18 CCC(=CC(=O)CCSC)C 1458a_100020758463_100000751147 [0,2,0,0,0,0|1,0,1]=4 5363 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [0,2,0,0,0,0|1,0,1]=4 5364 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [0,2,0,0,0,0|1,0,1]=4 5365 B10R0.18 CCC(C)CC(=O)CCC#N 1458a_100000708755_100011215226 [0,2,0,0,0,0|1,0,1]=4 5366 B10R0.18 CCC(C)CC(=O)CCC#N 1458a_100011934036_100000748023 [0,2,0,0,0,0|1,0,1]=4 5367 B10R0.18 CCC(C)CC(=O)CCCF 1458a_100000708755_100011934791 [0,2,0,0,0,0|1,0,0]=3 5368 B10R0.18 CCC(C)CC(=O)CCCO 1458a_100000708755_100011215043 [0,2,0,0,0,0|1,0,0]=3 5369 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000708755_100000233755 [0,2,0,0,0,0|1,0,0]=3 5370 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000749529_100000748023 [0,2,0,0,0,0|1,0,0]=3 5371 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000174002_100000748023 [0,2,0,0,0,0|1,0,0]=3 5372 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000708755_100000751147 [0,2,0,0,0,0|1,0,0]=3 5373 B10R0.18 CCC(C)CC(=O)NCCF 11a_100000724931_100000708755 [0,2,0,0,0,0|2,0,0]=4 5374 B10R0.18 CCC(C)CC(=O)NCCF 1626a_100000724931_100000708755 [0,2,0,0,0,0|2,0,0]=4 5375 B10R0.18 CCC(C)CC(=O)NCCF 240690a_100000724931_100000708755 [0,2,0,0,0,0|2,0,0]=4 5376 B10R0.18 CCC(C)CC(=O)NCCF 527a_100000724931_100000708755 [0,2,0,0,0,0|2,0,0]=4 5377 B10R0.18 CCC(C)CC(=O)NCCO 240690a_100000210304_100000708755 [0,2,0,0,0,0|2,0,0]=4 5378 B10R0.18 CCC(C)CC(=O)NCCO 527a_100000210304_100000708755 [0,2,0,0,0,0|2,0,0]=4 5379 B10R0.18 CCC(C)NC(=O)CCC#N 11a_100000209981_100011934036 [0,2,0,0,0,0|1,0,1]=4 5380 B10R0.18 CCC(C)NC(=O)CCC#N 1626a_100000209981_100011934036 [0,2,0,0,0,0|1,0,1]=4 5381 B10R0.18 CCC(C)NC(=O)CCC#N 240690a_100000209981_100011934036 [0,2,0,0,0,0|1,0,1]=4 5382 B10R0.18 CCC(C)NC(=O)CCC#N 527a_100000209981_100011934036 [0,2,0,0,0,0|1,0,1]=4 5383 B10R0.18 CCC(C)NC(=O)CCOC 11a_100000209981_100000749529 [0,2,0,0,0,0|1,0,0]=3 5384 B10R0.18 CCC(C)NC(=O)CCOC 1626a_100000209981_100000749529 [0,2,0,0,0,0|1,0,0]=3 5385 B10R0.18 CCC(C)NC(=O)CCOC 240690a_100000209981_100000749529 [0,2,0,0,0,0|1,0,0]=3 5386 B10R0.18 CCC(C)NC(=O)CCOC 527a_100000209981_100000749529 [0,2,0,0,0,0|1,0,0]=3 5387 B10R0.18 CCC(C)NC(=O)CCSC 11a_100000209981_100000174002 [0,2,0,0,0,0|1,0,0]=3 5388 B10R0.18 CCC(C)NC(=O)CCSC 1626a_100000209981_100000174002 [0,2,0,0,0,0|1,0,0]=3 5389 B10R0.18 CCC(C)NC(=O)CCSC 240690a_100000209981_100000174002 [0,2,0,0,0,0|1,0,0]=3 5390 B10R0.18 CCC(C)NC(=O)CCSC 527a_100000209981_100000174002 [0,2,0,0,0,0|1,0,0]=3 5391 B10R0.18 CCC(C)NC(=O)CSCF 62a_100000182745_100015361967 [0,2,0,0,0,0|2,0,0]=4 5392 B10R0.18 CCC(C)NC(=O)CSCF 62a_100015361967_100000182745 [0,2,0,0,0,0|2,0,0]=4 5393 B10R0.18 CCC(C)NC(=O)NCCF 2708a_100000209981_100000724931 [0,2,0,0,0,0|2,0,0]=4 5394 B10R0.18 CCC(C)NC(=O)NCCF 273464a_100000209981_100000724931 [0,2,0,0,0,0|2,0,0]=4 5395 B10R0.18 CCC(C)NC(=O)NCCF 273464a_100000724931_100000209981 [0,2,0,0,0,0|2,0,0]=4 5396 B10R0.18 CCC(C)NC(=O)NCCF 512a_100000209981_100000724931 [0,2,0,0,0,0|2,0,0]=4 5397 B10R0.18 CCC(C)NC(=O)NCCO 2708a_100000209981_100000210304 [0,2,0,0,0,0|2,0,0]=4 5398 B10R0.18 CCC(C)NC(=O)NCCO 273464a_100000209981_100000210304 [0,2,0,0,0,0|2,0,0]=4 5399 B10R0.18 CCC(C)NC(=O)NCCO 273464a_100000210304_100000209981 [0,2,0,0,0,0|2,0,0]=4 5400 B10R0.18 CCC(C)NC(=O)NCCO 512a_100000209981_100000210304 [0,2,0,0,0,0|2,0,0]=4 5401 B10R0.18 CCC(C)OC(C)CCCCl 34a_200000718107_100011215416 [0,2,0,0,0,0|1,0,1]=4 5402 B10R0.18 CCC(C)OC(C)CCCCl 7a_200000718107_100000758301 [0,2,0,0,0,0|1,0,1]=4 5403 B10R0.18 CCC(O)CC(=O)CCC#N 1458a_100011667805_100011215226 [0,2,0,0,0,0|1,0,1]=4 5404 B10R0.18 CCC(O)CC(=O)CCC#N 1458a_100011934036_100011218378 [0,2,0,0,0,0|1,0,1]=4 5405 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [0,2,0,0,0,0|1,0,0]=3 5406 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [0,2,0,0,0,0|1,0,0]=3 5407 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [0,2,0,0,0,0|1,0,0]=3 5408 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [0,2,0,0,0,0|1,0,0]=3 5409 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [0,2,0,0,0,0|1,0,0]=3 5410 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [0,2,0,0,0,0|1,0,0]=3 5411 B10R0.18 CCC(O)CC(=O)NCCF 1626a_100000724931_100011667805 [0,2,0,0,0,0|2,0,0]=4 5412 B10R0.18 CCC(O)CC(=O)NCCF 240690a_100000724931_100011667805 [0,2,0,0,0,0|2,0,0]=4 5413 B10R0.18 CCC(O)CC(=O)NCCO 240690a_100000210304_100011667805 [0,2,0,0,0,0|2,0,0]=4 5414 B10R0.18 CCC=CC(=O)CC(=O)CC 1458a_100000212282_100000747405 [0,2,0,0,0,0|1,0,1]=4 5415 B10R0.18 CCC=CC(=O)CC(C)CC 1458a_100000212282_100000748023 [0,2,0,0,0,0|1,0,1]=4 5416 B10R0.18 CCC=CC(=O)CC(O)CC 1458a_100000212282_100011218378 [0,2,0,0,0,0|1,0,1]=4 5417 B10R0.18 CCC=CC(=O)C[C@@H](C)CC 1458a_100000212282_100009816398 [0,2,0,0,0,0|1,0,1]=4 5418 B10R0.18 CCC=CC(=O)C[C@@H](C)CO 1458a_100000212282_100000059175 [0,2,0,0,0,0|1,0,1]=4 5419 B10R0.18 CCC=CC(=O)NC(C)CC 11a_100000209981_100000212282 [0,2,0,0,0,0|1,0,1]=4 5420 B10R0.18 CCC=CC(=O)NC(C)CC 1626a_100000209981_100000212282 [0,2,0,0,0,0|1,0,1]=4 5421 B10R0.18 CCC=CC(=O)NC(C)CC 240690a_100000209981_100000212282 [0,2,0,0,0,0|1,0,1]=4 5422 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [0,2,0,0,0,0|1,0,1]=4 5423 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,2,0,0,0,0|1,0,0]=3 5424 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [0,2,0,0,0,0|1,0,1]=4 5425 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,2,0,0,0,0|1,0,1]=4 5426 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,2,0,0,0,0|1,0,1]=4 5427 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [0,2,0,0,0,0|1,0,0]=3 5428 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [0,2,0,0,0,0|1,0,0]=3 5429 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,2,0,0,0,0|1,0,0]=3 5430 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,2,0,0,0,0|1,0,0]=3 5431 B10R0.18 CCCCC(=O)CN(C)CC 1458a_100116209913_100000210211 [0,2,0,0,0,0|1,0,0]=3 5432 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [0,2,0,0,0,0|1,0,0]=3 5433 B10R0.18 CCCCC(=O)C[C@@H](C)CO 1458a_100000210183_100000059175 [0,2,0,0,0,0|1,0,0]=3 5434 B10R0.18 CCCCC(=O)NC(C)C#N 11a_100000737613_100000210183 [0,2,0,0,0,0|2,0,0]=4 5435 B10R0.18 CCCCC(=O)NC(C)C#N 1626a_100000737613_100000210183 [0,2,0,0,0,0|2,0,0]=4 5436 B10R0.18 CCCCC(=O)NC(C)C#N 527a_100000737613_100000210183 [0,2,0,0,0,0|2,0,0]=4 5437 B10R0.18 CCCCC(=O)NC(C)CC 11a_100000209981_100000210183 [0,2,0,0,0,0|1,0,0]=3 5438 B10R0.18 CCCCC(=O)NC(C)CC 1626a_100000209981_100000210183 [0,2,0,0,0,0|1,0,0]=3 5439 B10R0.18 CCCCC(=O)NC(C)CC 240690a_100000209981_100000210183 [0,2,0,0,0,0|1,0,0]=3 5440 B10R0.18 CCCCC(=O)NC(C)CC 527a_100000209981_100000210183 [0,2,0,0,0,0|1,0,0]=3 5441 B10R0.18 CCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210183 [0,2,0,0,0,0|2,0,0]=4 5442 B10R0.18 CCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210183 [0,2,0,0,0,0|2,0,0]=4 5443 B10R0.18 CCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210183 [0,2,0,0,0,0|2,0,0]=4 5444 B10R0.18 CCCCC(=O)N[C@H](C)CF 527a_100102880703_100000210183 [0,2,0,0,0,0|2,0,0]=4 5445 B10R0.18 CCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210183 [0,2,0,0,0,0|2,0,0]=4 5446 B10R0.18 CCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210183 [0,2,0,0,0,0|2,0,0]=4 5447 B10R0.18 CCCCC(C)OC(C)CC 34a_100000687866_100011215416 [0,2,0,0,0,0|1,0,1]=4 5448 B10R0.18 CCCCC(C)OC(C)CC 7a_100000210228_200011215066 [0,2,0,0,0,0|1,0,1]=4 5449 B10R0.18 CCCCC(C)OC(C)CC 7a_100000687866_100000758301 [0,2,0,0,0,0|1,0,1]=4 5450 B10R0.18 CCCNC(=O)C=C(C)CC 11a_100020643023_100020758463 [0,2,0,0,0,0|1,0,1]=4 5451 B10R0.18 CCCNC(=O)C=C(C)CC 1626a_100020643023_100020758463 [0,2,0,0,0,0|1,0,1]=4 5452 B10R0.18 CCCNC(=O)C=C(C)CC 240690a_100020643023_100020758463 [0,2,0,0,0,0|1,0,1]=4 5453 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [0,2,0,0,0,0|1,0,0]=3 5454 B10R0.18 CCCNC(=O)CC(=O)CO 1458a_100000210174_100000183358 [0,2,0,0,0,0|1,0,1]=4 5455 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [0,2,0,0,0,0|1,0,1]=4 5456 B10R0.18 CCCNC(=O)CC(C)CC 11a_100020643023_100000708755 [0,2,0,0,0,0|1,0,0]=3 5457 B10R0.18 CCCNC(=O)CC(C)CC 1626a_100020643023_100000708755 [0,2,0,0,0,0|1,0,0]=3 5458 B10R0.18 CCCNC(=O)CC(C)CC 240690a_100020643023_100000708755 [0,2,0,0,0,0|1,0,0]=3 5459 B10R0.18 CCCNC(=O)CC(C)CC 527a_100020643023_100000708755 [0,2,0,0,0,0|1,0,0]=3 5460 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [0,2,0,0,0,0|1,0,0]=3 5461 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [0,2,0,0,0,0|1,0,0]=3 5462 B10R0.18 CCCNC(=O)CN(C)CC 2230a_100000225621_100000183358 [0,2,0,0,0,0|1,0,0]=3 5463 B10R0.18 CCCNC(=O)CN(C)CC 2230a_100000684209_100000210202 [0,2,0,0,0,0|1,0,0]=3 5464 B10R0.18 CCCNC(=O)CN(C)CC 240690a_100020643023_100116209913 [0,2,0,0,0,0|1,0,0]=3 5465 B10R0.18 CCCNC(=O)CN(C)CC 269982a_100000225621_100000183358 [0,2,0,0,0,0|1,0,0]=3 5466 B10R0.18 CCCNC(=O)CN(C)CC 269982a_100000684209_100000204670 [0,2,0,0,0,0|1,0,0]=3 5467 B10R0.18 CCCNC(=O)CN(C)CC 527a_100020643023_100116209913 [0,2,0,0,0,0|1,0,0]=3 5468 B10R0.18 CCCNC(=O)CN(C)CF 269982a_100000684209_100015361967 [0,2,0,0,0,0|2,0,0]=4 5469 B10R0.18 CCCNC(=O)NC(C)C#N 2708a_100000737613_100020643023 [0,2,0,0,0,0|2,0,0]=4 5470 B10R0.18 CCCNC(=O)NC(C)C#N 2708a_100020643023_100000737613 [0,2,0,0,0,0|2,0,0]=4 5471 B10R0.18 CCCNC(=O)NC(C)C#N 273464a_100000737613_100020643023 [0,2,0,0,0,0|2,0,0]=4 5472 B10R0.18 CCCNC(=O)NC(C)C#N 273464a_100020643023_100000737613 [0,2,0,0,0,0|2,0,0]=4 5473 B10R0.18 CCCNC(=O)NC(C)C#N 512a_100000737613_100020643023 [0,2,0,0,0,0|2,0,0]=4 5474 B10R0.18 CCCNC(=O)NC(C)C#N 512a_100020643023_100000737613 [0,2,0,0,0,0|2,0,0]=4 5475 B10R0.18 CCCNC(=O)NC(C)CC 2708a_100000209981_100020643023 [0,2,0,0,0,0|1,0,0]=3 5476 B10R0.18 CCCNC(=O)NC(C)CC 2708a_100020643023_100000209981 [0,2,0,0,0,0|1,0,0]=3 5477 B10R0.18 CCCNC(=O)NC(C)CC 273464a_100000209981_100020643023 [0,2,0,0,0,0|1,0,0]=3 5478 B10R0.18 CCCNC(=O)NC(C)CC 273464a_100020643023_100000209981 [0,2,0,0,0,0|1,0,0]=3 5479 B10R0.18 CCCNC(=O)NC(C)CC 512a_100000209981_100020643023 [0,2,0,0,0,0|1,0,0]=3 5480 B10R0.18 CCCNC(=O)NC(C)CC 512a_100020643023_100000209981 [0,2,0,0,0,0|1,0,0]=3 5481 B10R0.18 CCCNC(=O)N[C@H](C)CF 2708a_100020643023_100102880703 [0,2,0,0,0,0|2,0,0]=4 5482 B10R0.18 CCCNC(=O)N[C@H](C)CF 273464a_100020643023_100102880703 [0,2,0,0,0,0|2,0,0]=4 5483 B10R0.18 CCCNC(=O)N[C@H](C)CF 273464a_100102880703_100020643023 [0,2,0,0,0,0|2,0,0]=4 5484 B10R0.18 CCCNC(=O)N[C@H](C)CF 512a_100020643023_100102880703 [0,2,0,0,0,0|2,0,0]=4 5485 B10R0.18 CCCNC(=O)N[C@H](C)CF 512a_100102880703_100020643023 [0,2,0,0,0,0|2,0,0]=4 5486 B10R0.18 CCCNC(=O)N[C@H](C)CO 2708a_100020643023_100000737577 [0,2,0,0,0,0|2,0,0]=4 5487 B10R0.18 CCCNC(=O)N[C@H](C)CO 273464a_100000737577_100020643023 [0,2,0,0,0,0|2,0,0]=4 5488 B10R0.18 CCCNC(=O)N[C@H](C)CO 512a_100000737577_100020643023 [0,2,0,0,0,0|2,0,0]=4 5489 B10R0.18 CCCNC(=O)N[C@H](C)CO 512a_100020643023_100000737577 [0,2,0,0,0,0|2,0,0]=4 5490 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,2,0,0,0,0|0,0,0]=2 5491 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [0,2,0,0,0,0|0,0,1]=3 5492 B10R0.18 CCCOC(=O)CN(C)CC 2230a_100000225621_200011215008 [0,2,0,0,0,0|0,0,0]=2 5493 B10R0.18 CCCOC(=O)CN(C)CC 269982a_100000225621_200011215008 [0,2,0,0,0,0|0,0,0]=2 5494 B10R0.18 CCN(C)CC(=O)CCCF 1458a_100116209913_100011934791 [0,2,0,0,0,0|2,0,0]=4 5495 B10R0.18 CCN(C)CC(=O)CCCO 1458a_100116209913_100011215043 [0,2,0,0,0,0|2,0,0]=4 5496 B10R0.18 CCN(C)CC(=O)CCOC 1458a_100116209913_100000233755 [0,2,0,0,0,0|2,0,0]=4 5497 B10R0.18 CCN(C)CC(=O)CCSC 1458a_100116209913_100000751147 [0,2,0,0,0,0|2,0,0]=4 5498 B10R0.18 CCN(C)CC(=O)NCCF 240690a_100000724931_100116209913 [0,2,0,0,0,0|2,0,0]=4 5499 B10R0.18 CCN(C)CC(=O)NCCF 527a_100000724931_100116209913 [0,2,0,0,0,0|2,0,0]=4 5500 B10R0.18 CCN(C)CC(=O)NCCO 240690a_100000210304_100116209913 [0,2,0,0,0,0|2,0,0]=4 5501 B10R0.18 CCN(C)CC(=O)NCCO 527a_100000210304_100116209913 [0,2,0,0,0,0|2,0,0]=4 5502 B10R0.18 CCNCC(=O)NC(C)CC 2230a_100015525214_100000182745 [0,2,0,0,0,0|1,0,0]=3 5503 B10R0.18 CCNNC(=O)CC(C)CC 22a_100000756455_100000708755 [0,2,0,0,0,0|2,0,0]=4 5504 B10R0.18 CCNNC(=O)CC(O)CC 22a_100000756455_100011667805 [0,2,0,0,0,0|2,0,0]=4 5505 B10R0.18 CCNNC(=O)CN(C)CC 22a_100000756455_100116209913 [0,2,0,0,0,0|2,0,0]=4 5506 B10R0.18 CCNNC(=O)NC(C)CC 273464a_100000209981_100000756455 [0,2,0,0,0,0|2,0,0]=4 5507 B10R0.18 CCNNC(=O)NC(C)CC 512a_100000209981_100000756455 [0,2,0,0,0,0|2,0,0]=4 5508 B10R0.18 CCNNC(=O)NC(C)CC 512a_100000756455_100000209981 [0,2,0,0,0,0|2,0,0]=4 5509 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,2,0,0,0,0|1,0,1]=4 5510 B10R0.18 CCOCC(=O)CC(C)CC 1458a_100000211967_100000748023 [0,2,0,0,0,0|1,0,0]=3 5511 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [0,2,0,0,0,0|1,0,0]=3 5512 B10R0.18 CCOCC(=O)C[C@@H](C)CC 1458a_100000211967_100009816398 [0,2,0,0,0,0|1,0,0]=3 5513 B10R0.18 CCOCC(=O)C[C@@H](C)CO 1458a_100000211967_100000059175 [0,2,0,0,0,0|2,0,0]=4 5514 B10R0.18 CCOCC(=O)NC(C)CC 11a_100000209981_100000211967 [0,2,0,0,0,0|1,0,0]=3 5515 B10R0.18 CCOCC(=O)NC(C)CC 1626a_100000209981_100000211967 [0,2,0,0,0,0|1,0,0]=3 5516 B10R0.18 CCOCC(=O)NC(C)CC 240690a_100000209981_100000211967 [0,2,0,0,0,0|1,0,0]=3 5517 B10R0.18 CCOCC(=O)NC(C)CC 34a_100121572206_100000182745 [0,2,0,0,0,0|1,0,0]=3 5518 B10R0.18 CCOCC(=O)NC(C)CC 527a_100000209981_100000211967 [0,2,0,0,0,0|1,0,0]=3 5519 B10R0.18 CCOCC(=O)N[C@H](C)CF 11a_100102880703_100000211967 [0,2,0,0,0,0|2,0,0]=4 5520 B10R0.18 CCOCC(=O)N[C@H](C)CF 1626a_100102880703_100000211967 [0,2,0,0,0,0|2,0,0]=4 5521 B10R0.18 CCOCC(=O)N[C@H](C)CF 240690a_100102880703_100000211967 [0,2,0,0,0,0|2,0,0]=4 5522 B10R0.18 CCOCC(=O)N[C@H](C)CF 527a_100102880703_100000211967 [0,2,0,0,0,0|2,0,0]=4 5523 B10R0.18 CCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000211967 [0,2,0,0,0,0|2,0,0]=4 5524 B10R0.18 CCOCC(=O)N[C@H](C)CO 527a_100000737577_100000211967 [0,2,0,0,0,0|2,0,0]=4 5525 B10R0.18 CCOCC(C)OC(C)CC 34a_100000718985_100011215416 [0,2,0,0,0,0|1,0,1]=4 5526 B10R0.18 CCOCC(C)OC(C)CC 7a_100000718985_100000758301 [0,2,0,0,0,0|1,0,1]=4 5527 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [0,2,0,0,0,0|1,0,1]=4 5528 B10R0.18 CCSCC(=O)CC(C)CC 1458a_100000230394_100000748023 [0,2,0,0,0,0|1,0,0]=3 5529 B10R0.18 CCSCC(=O)CC(O)CC 1458a_100000230394_100011218378 [0,2,0,0,0,0|1,0,0]=3 5530 B10R0.18 CCSCC(=O)C[C@@H](C)CC 1458a_100000230394_100009816398 [0,2,0,0,0,0|1,0,0]=3 5531 B10R0.18 CCSCC(=O)C[C@@H](C)CO 1458a_100000230394_100000059175 [0,2,0,0,0,0|2,0,0]=4 5532 B10R0.18 CCSCC(=O)NC(C)CC 11a_100000209981_100000230394 [0,2,0,0,0,0|1,0,0]=3 5533 B10R0.18 CCSCC(=O)NC(C)CC 1626a_100000209981_100000230394 [0,2,0,0,0,0|1,0,0]=3 5534 B10R0.18 CCSCC(=O)NC(C)CC 240690a_100000209981_100000230394 [0,2,0,0,0,0|1,0,0]=3 5535 B10R0.18 CCSCC(=O)NC(C)CC 527a_100000209981_100000230394 [0,2,0,0,0,0|1,0,0]=3 5536 B10R0.18 CCSCC(=O)NC(C)CC 62a_100000182745_100000210202 [0,2,0,0,0,0|1,0,0]=3 5537 B10R0.18 CCSCC(=O)NC(C)CC 62a_100000210202_100000182745 [0,2,0,0,0,0|1,0,0]=3 5538 B10R0.18 CCSCC(=O)N[C@H](C)CF 11a_100102880703_100000230394 [0,2,0,0,0,0|2,0,0]=4 5539 B10R0.18 CCSCC(=O)N[C@H](C)CF 1626a_100102880703_100000230394 [0,2,0,0,0,0|2,0,0]=4 5540 B10R0.18 CCSCC(=O)N[C@H](C)CF 240690a_100102880703_100000230394 [0,2,0,0,0,0|2,0,0]=4 5541 B10R0.18 CCSCC(=O)N[C@H](C)CF 527a_100102880703_100000230394 [0,2,0,0,0,0|2,0,0]=4 5542 B10R0.18 CCSCC(=O)N[C@H](C)CO 240690a_100000737577_100000230394 [0,2,0,0,0,0|2,0,0]=4 5543 B10R0.18 CCSCC(=O)N[C@H](C)CO 527a_100000737577_100000230394 [0,2,0,0,0,0|2,0,0]=4 5544 B10R0.18 CC[C@H](C)CC(=O)CCC#N 1458a_100011934036_100009816398 [0,2,0,0,0,0|1,0,1]=4 5545 B10R0.18 CC[C@H](C)CC(=O)CCOC 1458a_100000749529_100009816398 [0,2,0,0,0,0|1,0,0]=3 5546 B10R0.18 CC[C@H](C)CC(=O)CCSC 1458a_100000174002_100009816398 [0,2,0,0,0,0|1,0,0]=3 5547 B10R0.18 COCCC(=O)C[C@@H](C)CO 1458a_100000749529_100000059175 [0,2,0,0,0,0|2,0,0]=4 5548 B10R0.18 COCCC(=O)N[C@H](C)CF 11a_100102880703_100000749529 [0,2,0,0,0,0|2,0,0]=4 5549 B10R0.18 COCCC(=O)N[C@H](C)CF 1626a_100102880703_100000749529 [0,2,0,0,0,0|2,0,0]=4 5550 B10R0.18 COCCC(=O)N[C@H](C)CF 240690a_100102880703_100000749529 [0,2,0,0,0,0|2,0,0]=4 5551 B10R0.18 COCCC(=O)N[C@H](C)CF 527a_100102880703_100000749529 [0,2,0,0,0,0|2,0,0]=4 5552 B10R0.18 COCCC(=O)N[C@H](C)CO 240690a_100000737577_100000749529 [0,2,0,0,0,0|2,0,0]=4 5553 B10R0.18 COCCC(=O)N[C@H](C)CO 527a_100000737577_100000749529 [0,2,0,0,0,0|2,0,0]=4 5554 B10R0.18 CSCCC(=O)C[C@@H](C)CO 1458a_100000174002_100000059175 [0,2,0,0,0,0|2,0,0]=4 5555 B10R0.18 CSCCC(=O)N[C@H](C)CF 11a_100102880703_100000174002 [0,2,0,0,0,0|2,0,0]=4 5556 B10R0.18 CSCCC(=O)N[C@H](C)CF 1626a_100102880703_100000174002 [0,2,0,0,0,0|2,0,0]=4 5557 B10R0.18 CSCCC(=O)N[C@H](C)CF 240690a_100102880703_100000174002 [0,2,0,0,0,0|2,0,0]=4 5558 B10R0.18 CSCCC(=O)N[C@H](C)CF 527a_100102880703_100000174002 [0,2,0,0,0,0|2,0,0]=4 5559 B10R0.18 CSCCC(=O)N[C@H](C)CO 240690a_100000737577_100000174002 [0,2,0,0,0,0|2,0,0]=4 5560 B10R0.18 CSCCC(=O)N[C@H](C)CO 527a_100000737577_100000174002 [0,2,0,0,0,0|2,0,0]=4 5561 B10R0.28 CC(C)(C)CC(=O)CCCF 1458a_100000211214_100011934791 [0,2,0,0,0,0|2,0,0]=4 5562 B10R0.28 CC(C)(C)CC(=O)CCCO 1458a_100000211214_100011215043 [0,2,0,0,0,0|2,0,0]=4 5563 B10R0.28 CC(C)(C)CC(=O)NCCF 11a_100000724931_100000211214 [0,2,0,0,0,0|2,0,0]=4 5564 B10R0.28 CC(C)(C)CC(=O)NCCF 1626a_100000724931_100000211214 [0,2,0,0,0,0|2,0,0]=4 5565 B10R0.28 CC(C)(C)CC(=O)NCCF 240690a_100000724931_100000211214 [0,2,0,0,0,0|2,0,0]=4 5566 B10R0.28 CC(C)(C)CC(=O)NCCF 527a_100000724931_100000211214 [0,2,0,0,0,0|2,0,0]=4 5567 B10R0.28 CC(C)(C)CC(=O)NCCO 240690a_100000210304_100000211214 [0,2,0,0,0,0|2,0,0]=4 5568 B10R0.28 CC(C)(C)CC(=O)NCCO 527a_100000210304_100000211214 [0,2,0,0,0,0|2,0,0]=4 5569 B10R0.28 CC(C)(C)CC(=O)OCS[13CH3] 62a_200010999194_200025704644 [0,2,0,0,0,0|1,0,0]=3 5570 B10R0.28 CC(C)(C)CC(=O)OCS[13CH3] 62a_200025704644_200010999194 [0,2,0,0,0,0|1,0,0]=3 5571 B10R0.28 CC(C)(O)CC(=O)CCCF 1458a_100000693243_100011934791 [0,2,0,0,0,0|2,0,0]=4 5572 B10R0.28 CC(C)(O)CC(=O)CCCO 1458a_100000693243_100011215043 [0,2,0,0,0,0|2,0,0]=4 5573 B10R0.28 CC(C)(O)CC(=O)NCCF 527a_100000724931_100000693243 [0,2,0,0,0,0|2,0,0]=4 5574 B10R0.28 CC(C)(O)CC(=O)NCCO 527a_100000210304_100000693243 [0,2,0,0,0,0|2,0,0]=4 5575 B10R0.28 CCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210211 [0,2,0,0,0,0|1,0,0]=3 5576 B10R0.28 CCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210211 [0,2,0,0,0,0|1,0,0]=3 5577 B10R0.28 CCCCC(=O)CC(F)(F)F 1458a_100000245130_100000210211 [0,2,0,0,0,0|2,0,0]=4 5578 B10R0.28 CCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210211 [0,2,0,0,0,0|2,0,0]=4 5579 B10R0.28 CCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210211 [0,2,0,0,0,0|2,0,0]=4 5580 B10R0.28 CCCCC(=O)C[Si](C)(C)C 1458a_100000210183_100000233785 [0,2,0,0,0,0|1,1,0]=4 5581 B10R0.28 CCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210211 [0,2,0,0,0,0|1,1,0]=4 5582 B10R0.28 CCCCC(=O)NC(C)(C)C 11a_100000715429_100000210183 [0,2,0,0,0,0|2,0,0]=4 5583 B10R0.28 CCCCC(=O)NC(C)(C)C 1626a_100000715429_100000210183 [0,2,0,0,0,0|2,0,0]=4 5584 B10R0.28 CCCCC(=O)NC(C)(C)C 240690a_100000715429_100000210183 [0,2,0,0,0,0|2,0,0]=4 5585 B10R0.28 CCCCC(=O)NC(C)(C)C 527a_100000715429_100000210183 [0,2,0,0,0,0|2,0,0]=4 5586 B10R0.28 CCCNC(=O)CC(C)(C)C 11a_100020643023_100000211214 [0,2,0,0,0,0|1,0,0]=3 5587 B10R0.28 CCCNC(=O)CC(C)(C)C 1626a_100020643023_100000211214 [0,2,0,0,0,0|1,0,0]=3 5588 B10R0.28 CCCNC(=O)CC(C)(C)C 240690a_100020643023_100000211214 [0,2,0,0,0,0|1,0,0]=3 5589 B10R0.28 CCCNC(=O)CC(C)(C)C 527a_100020643023_100000211214 [0,2,0,0,0,0|1,0,0]=3 5590 B10R0.28 CCCNC(=O)CC(C)(C)O 527a_100020643023_100000693243 [0,2,0,0,0,0|1,0,0]=3 5591 B10R0.28 CCCNC(=O)CC(F)(F)F 11a_100020643023_100000245130 [0,2,0,0,0,0|2,0,0]=4 5592 B10R0.28 CCCNC(=O)CC(F)(F)F 1626a_100020643023_100000245130 [0,2,0,0,0,0|2,0,0]=4 5593 B10R0.28 CCCNC(=O)CC(F)(F)F 527a_100020643023_100000245130 [0,2,0,0,0,0|2,0,0]=4 5594 B10R0.28 CCCNC(=O)CS(=O)(=O)C 11a_100020643023_100000744497 [0,2,0,0,0,0|2,0,0]=4 5595 B10R0.28 CCCNC(=O)CS(=O)(=O)C 240690a_100020643023_100000744497 [0,2,0,0,0,0|2,0,0]=4 5596 B10R0.28 CCCNC(=O)CS(=O)(=O)C 527a_100020643023_100000744497 [0,2,0,0,0,0|2,0,0]=4 5597 B10R0.28 CCCNC(=O)C[N+](C)(C)C 11a_100020643023_100000033712 [0,2,0,0,0,0|2,0,0]=4 5598 B10R0.28 CCCNC(=O)C[N+](C)(C)C 1626a_100020643023_100000033712 [0,2,0,0,0,0|2,0,0]=4 5599 B10R0.28 CCCNC(=O)C[N+](C)(C)C 240690a_100020643023_100000033712 [0,2,0,0,0,0|2,0,0]=4 5600 B10R0.28 CCCNC(=O)C[N+](C)(C)C 527a_100020643023_100000033712 [0,2,0,0,0,0|2,0,0]=4 5601 B10R0.28 CCCNC(=O)C[Si](C)(C)C 11a_100020643023_100011218504 [0,2,0,0,0,0|1,1,0]=4 5602 B10R0.28 CCCNC(=O)C[Si](C)(C)C 1626a_100020643023_100011218504 [0,2,0,0,0,0|1,1,0]=4 5603 B10R0.28 CCCNC(=O)NC(C)(C)C 2708a_100020643023_100000715429 [0,2,0,0,0,0|2,0,0]=4 5604 B10R0.28 CCCNC(=O)NC(C)(C)C 273464a_100000715429_100020643023 [0,2,0,0,0,0|2,0,0]=4 5605 B10R0.28 CCCNC(=O)NC(C)(C)C 273464a_100020643023_100000715429 [0,2,0,0,0,0|2,0,0]=4 5606 B10R0.28 CCCNC(=O)NC(C)(C)C 512a_100000715429_100020643023 [0,2,0,0,0,0|2,0,0]=4 5607 B10R0.28 CCCOC(C)CC(C)(C)C 7a_200011218616_100000210303 [0,2,0,0,0,0|1,0,1]=4 5608 B10R0.28 CCNNC(=O)CC(C)(C)C 22a_100000756455_100000211214 [0,2,0,0,0,0|2,0,0]=4 5609 B10R0.28 CCNNC(=O)CC(C)(C)O 22a_100000756455_100000693243 [0,2,0,0,0,0|2,0,0]=4 5610 B10R0.28 CNCOC(=O)CC(C)(C)C 2230a_106832991635_200010999194 [0,2,0,0,0,0|1,0,0]=3 5611 B10R0.28 CNCOC(=O)CC(C)(C)C 34a_100102657272_200010999194 [0,2,0,0,0,0|1,0,0]=3 5612 B10R0.28 CNCOC(=O)CC(C)(C)C 7a_106832991635_200010999194 [0,2,0,0,0,0|1,0,0]=3 5613 B10R0.28 COCCC(=O)CC(C)(C)C 1458a_100000211214_100000233755 [0,2,0,0,0,0|2,0,0]=4 5614 B10R0.28 COCCC(=O)CC(C)(C)O 1458a_100000693243_100000233755 [0,2,0,0,0,0|2,0,0]=4 5615 B10R0.28 COCOC(=O)CC(C)(C)C 34a_100138415774_200010999194 [0,2,0,0,0,0|1,0,0]=3 5616 B10R0.28 CSCCC(=O)CC(C)(C)C 1458a_100000211214_100000751147 [0,2,0,0,0,0|2,0,0]=4 5617 B10R0.28 CSCCC(=O)CC(C)(C)O 1458a_100000693243_100000751147 [0,2,0,0,0,0|2,0,0]=4 5618 B10R0.28 CSCOC(=O)CC(C)(C)C 62a_200000210301_200010999194 [0,2,0,0,0,0|1,0,0]=3 5619 B10R0.28 CSCOC(=O)CC(C)(C)C 62a_200010999194_200000210301 [0,2,0,0,0,0|1,0,0]=3 5620 B10R0.32 C=C(C)CC(=O)C(C)CCC 1458a_100000210906_100000748629 [0,2,0,0,0,0|1,0,1]=4 5621 B10R0.32 C=C(C)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000748629 [0,2,0,0,0,0|1,0,1]=4 5622 B10R0.32 C=C(C)CN(C)C(=O)CCC 11a_100000225649_100000211992 [0,2,0,0,0,0|1,0,1]=4 5623 B10R0.32 C=C(C)CN(C)C(=O)CCC 1626a_100000225649_100000211992 [0,2,0,0,0,0|1,0,1]=4 5624 B10R0.32 C=C(C)CN(C)C(=O)CCC 527a_100000225649_100000211992 [0,2,0,0,0,0|1,0,1]=4 5625 B10R0.32 CC(C)CC(=O)C(C)CCO 1458a_100000210554_100009893172 [0,2,0,0,0,0|2,0,0]=4 5626 B10R0.32 CC(C)CC(=O)N(C)CCO 240690a_100000210263_100000210554 [0,2,0,0,0,0|2,0,0]=4 5627 B10R0.32 CC(C)CC(=O)N(C)CCO 527a_100000210263_100000210554 [0,2,0,0,0,0|2,0,0]=4 5628 B10R0.32 CC(C)CC(C)C(=O)CCO 1458a_100011216618_100000731052 [0,2,0,0,0,0|2,0,0]=4 5629 B10R0.32 CC(C)CN(C)C(=O)CCO 240690a_100000747067_100011216618 [0,2,0,0,0,0|2,0,0]=4 5630 B10R0.32 CC(C)C[C@H](O)C(=O)CCF 1458a_100012027011_100011217306 [0,2,0,0,0,0|2,0,0]=4 5631 B10R0.32 CC(C)C[C@H](O)C(=O)CCO 1458a_100012027011_100000211926 [0,2,0,0,0,0|2,0,0]=4 5632 B10R0.32 CC(CCO)C(=O)C[C@@H](C)O 1458a_100011933948_100009893172 [0,2,0,0,0,0|2,0,0]=4 5633 B10R0.32 CC(O)CN(C)C(=O)CCO 240690a_100000227577_100011216618 [0,2,0,0,0,0|2,0,0]=4 5634 B10R0.32 CC/C=C(\C)/C(=O)CC(C)C 1458a_100016988807_100000210624 [0,2,0,0,0,0|1,0,1]=4 5635 B10R0.32 CC/C=C(\C)/C(=O)CC(C)O 1458a_100016988807_100011218427 [0,2,0,0,0,0|1,0,1]=4 5636 B10R0.32 CCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210303 [0,2,0,0,0,0|2,0,0]=4 5637 B10R0.32 CCCC(=O)C(C)CC(C)C 1458a_100000211992_100000731052 [0,2,0,0,0,0|1,0,0]=3 5638 B10R0.32 CCCC(=O)C(C)CN(C)C 1458a_200015186601_100000210303 [0,2,0,0,0,0|2,0,0]=4 5639 B10R0.32 CCCC(=O)N(C)CC(C)C 11a_100000747067_100000211992 [0,2,0,0,0,0|1,0,0]=3 5640 B10R0.32 CCCC(=O)N(C)CC(C)C 1626a_100000747067_100000211992 [0,2,0,0,0,0|1,0,0]=3 5641 B10R0.32 CCCC(=O)N(C)CC(C)C 240690a_100000747067_100000211992 [0,2,0,0,0,0|1,0,0]=3 5642 B10R0.32 CCCC(=O)N(C)CC(C)C 527a_100000747067_100000211992 [0,2,0,0,0,0|1,0,0]=3 5643 B10R0.32 CCCC(=O)N(C)CC(C)O 240690a_100000227577_100000211992 [0,2,0,0,0,0|1,0,0]=3 5644 B10R0.32 CCCC(=O)N(C)CC(C)O 527a_100000227577_100000211992 [0,2,0,0,0,0|1,0,0]=3 5645 B10R0.32 CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210303 [0,2,0,0,0,0|1,0,0]=3 5646 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210554_100000766640 [0,2,0,0,0,0|1,0,0]=3 5647 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210906_100000210624 [0,2,0,0,0,0|1,0,0]=3 5648 B10R0.32 CCCC(C)C(=O)CC(C)O 1458a_100000210906_100011218427 [0,2,0,0,0,0|1,0,0]=3 5649 B10R0.32 CCCC(C)C(=O)CC(F)F 1458a_100000210906_100011934356 [0,2,0,0,0,0|2,0,0]=4 5650 B10R0.32 CCCC(C)C(=O)CN(C)C 1458a_100000750896_100000766640 [0,2,0,0,0,0|2,0,0]=4 5651 B10R0.32 CCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000766640 [0,2,0,0,0,0|1,0,0]=3 5652 B10R0.32 CCCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000766640 [0,2,0,0,0,0|2,0,0]=4 5653 B10R0.32 CCCC(C)C(=O)NC(C)C 11a_100138425928_100000210906 [0,2,0,0,0,0|2,0,0]=4 5654 B10R0.32 CCCC(C)C(=O)NC(C)C 1626a_100138425928_100000210906 [0,2,0,0,0,0|2,0,0]=4 5655 B10R0.32 CCCC(C)C(=O)NC(C)C 240690a_100138425928_100000210906 [0,2,0,0,0,0|2,0,0]=4 5656 B10R0.32 CCCC(C)C(=O)NC(C)C 527a_100138425928_100000210906 [0,2,0,0,0,0|2,0,0]=4 5657 B10R0.32 CCCN(C)C(=O)CC(C)C 11a_100000747261_100000210554 [0,2,0,0,0,0|1,0,0]=3 5658 B10R0.32 CCCN(C)C(=O)CC(C)C 1626a_100000747261_100000210554 [0,2,0,0,0,0|1,0,0]=3 5659 B10R0.32 CCCN(C)C(=O)CC(C)C 240690a_100000747261_100000210554 [0,2,0,0,0,0|1,0,0]=3 5660 B10R0.32 CCCN(C)C(=O)CC(C)C 527a_100000747261_100000210554 [0,2,0,0,0,0|1,0,0]=3 5661 B10R0.32 CCCN(C)C(=O)CN(C)C 11a_100000747261_100000750896 [0,2,0,0,0,0|2,0,0]=4 5662 B10R0.32 CCCN(C)C(=O)CN(C)C 240690a_100000747261_100000750896 [0,2,0,0,0,0|2,0,0]=4 5663 B10R0.32 CCCN(C)C(=O)CN(C)C 527a_100000747261_100000750896 [0,2,0,0,0,0|2,0,0]=4 5664 B10R0.32 CCCN(C)C(=O)C[C@@H](C)O 240690a_100000747261_100011933948 [0,2,0,0,0,0|1,0,0]=3 5665 B10R0.32 CCCN(C)C(=O)C[S+](C)C 11a_100000747261_200159257847 [0,2,0,0,0,0|2,0,0]=4 5666 B10R0.32 CCCN(C)C(=O)C[S+](C)C 1626a_100000747261_200159257847 [0,2,0,0,0,0|2,0,0]=4 5667 B10R0.32 CCCN(C)C(=O)C[S+](C)C 240690a_100000747261_200159257847 [0,2,0,0,0,0|2,0,0]=4 5668 B10R0.32 CCCN(C)C(=O)C[S+](C)C 527a_100000747261_200159257847 [0,2,0,0,0,0|2,0,0]=4 5669 B10R0.32 CCCN(C)C(=O)NC(C)C 2708a_100138425928_100000747261 [0,2,0,0,0,0|2,0,0]=4 5670 B10R0.32 CCCN(C)C(=O)NC(C)C 273464a_100138425928_100000747261 [0,2,0,0,0,0|2,0,0]=4 5671 B10R0.32 CCC[C@H](O)C(=O)CC(C)C 1458a_100009822183_100000210624 [0,2,0,0,0,0|1,0,0]=3 5672 B10R0.32 CCC[C@H](O)C(=O)CC(C)O 1458a_100009822183_100011218427 [0,2,0,0,0,0|1,0,0]=3 5673 B10R0.32 CCC[C@H](O)C(=O)CC(F)F 1458a_100009822183_100011934356 [0,2,0,0,0,0|2,0,0]=4 5674 B10R0.32 CCC[C@H](O)C(=O)NC(C)C 240690a_100138425928_100009822183 [0,2,0,0,0,0|2,0,0]=4 5675 B10R0.32 CCNC(=O)C(=O)CC(C)C 1458a_200011297158_100000210624 [0,2,0,0,0,0|2,0,0]=4 5676 B10R0.32 CCNC(=O)C(=O)CC(C)O 1458a_200011297158_100011218427 [0,2,0,0,0,0|2,0,0]=4 5677 B10R0.32 CCNC(=O)N(C)CC(C)C 2708a_100015525214_100000747067 [0,2,0,0,0,0|2,0,0]=4 5678 B10R0.32 CCNC(=O)N(C)CC(C)C 273464a_100015525214_100000747067 [0,2,0,0,0,0|2,0,0]=4 5679 B10R0.32 CCNC(=O)N(C)CC(C)O 2708a_100015525214_100000227577 [0,2,0,0,0,0|2,0,0]=4 5680 B10R0.32 CCNC(=O)[C@@H](O)CC(C)C 240690a_100015525214_100012027011 [0,2,0,0,0,0|2,0,0]=4 5681 B10R0.32 CCOC(C)C(=O)CC(C)C 1458a_100000739345_100000210624 [0,2,0,0,0,0|2,0,0]=4 5682 B10R0.32 CCOC(C)C(=O)CC(C)O 1458a_100000739345_100011218427 [0,2,0,0,0,0|2,0,0]=4 5683 B10R0.32 CCSC(C)C(=O)CC(C)C 1458a_100000230601_100000210624 [0,2,0,0,0,0|2,0,0]=4 5684 B10R0.32 CCSC(C)C(=O)CC(C)O 1458a_100000230601_100011218427 [0,2,0,0,0,0|2,0,0]=4 5685 B10R0.32 COCC(=O)C(C)CC(C)C 1458a_100000210968_100000731052 [0,2,0,0,0,0|2,0,0]=4 5686 B10R0.32 COCC(=O)N(C)CC(C)C 11a_100000747067_100000210968 [0,2,0,0,0,0|2,0,0]=4 5687 B10R0.32 COCC(=O)N(C)CC(C)C 1626a_100000747067_100000210968 [0,2,0,0,0,0|2,0,0]=4 5688 B10R0.32 COCC(=O)N(C)CC(C)C 240690a_100000747067_100000210968 [0,2,0,0,0,0|2,0,0]=4 5689 B10R0.32 COCC(=O)N(C)CC(C)C 527a_100000747067_100000210968 [0,2,0,0,0,0|2,0,0]=4 5690 B10R0.32 COCC(=O)N(C)CC(C)O 240690a_100000227577_100000210968 [0,2,0,0,0,0|2,0,0]=4 5691 B10R0.32 COCC(=O)N(C)CC(C)O 527a_100000227577_100000210968 [0,2,0,0,0,0|2,0,0]=4 5692 B10R0.32 COCC(C)C(=O)CC(C)C 1458a_100000210554_100000765312 [0,2,0,0,0,0|2,0,0]=4 5693 B10R0.32 COCC(C)C(=O)CC(C)C 1458a_100000751857_100000210624 [0,2,0,0,0,0|2,0,0]=4 5694 B10R0.32 COCC(C)C(=O)CC(C)O 1458a_100000751857_100011218427 [0,2,0,0,0,0|2,0,0]=4 5695 B10R0.32 COCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000765312 [0,2,0,0,0,0|2,0,0]=4 5696 B10R0.32 CSCC(=O)C(C)CC(C)C 1458a_100000184570_100000731052 [0,2,0,0,0,0|2,0,0]=4 5697 B10R0.32 CSCC(=O)N(C)CC(C)C 11a_100000747067_100000184570 [0,2,0,0,0,0|2,0,0]=4 5698 B10R0.32 CSCC(=O)N(C)CC(C)C 1626a_100000747067_100000184570 [0,2,0,0,0,0|2,0,0]=4 5699 B10R0.32 CSCC(=O)N(C)CC(C)C 240690a_100000747067_100000184570 [0,2,0,0,0,0|2,0,0]=4 5700 B10R0.32 CSCC(=O)N(C)CC(C)C 527a_100000747067_100000184570 [0,2,0,0,0,0|2,0,0]=4 5701 B10R0.32 CSCC(=O)N(C)CC(C)O 240690a_100000227577_100000184570 [0,2,0,0,0,0|2,0,0]=4 5702 B10R0.32 CSCC(=O)N(C)CC(C)O 527a_100000227577_100000184570 [0,2,0,0,0,0|2,0,0]=4 5703 B10R0.32 CSCC(C)C(=O)CC(C)C 1458a_100000753918_100000210624 [0,2,0,0,0,0|2,0,0]=4 5704 B10R0.32 CSCC(C)C(=O)CC(C)O 1458a_100000753918_100011218427 [0,2,0,0,0,0|2,0,0]=4 5705 B10R0.32 C[C@@H](O)CC(=O)N(C)CCO 240690a_100000210263_100011933948 [0,2,0,0,0,0|2,0,0]=4 5706 B10R0.44 C=C(C)CC(=O)CC(C)CC 1458a_100000708755_100000748629 [0,2,0,0,0,0|1,0,1]=4 5707 B10R0.44 C=C(C)CC(=O)CC(O)CC 1458a_100011667805_100000748629 [0,2,0,0,0,0|1,0,1]=4 5708 B10R0.44 CC(C)CC(=O)C[C@@H](C)CO 1458a_100000210554_100000059175 [0,2,0,0,0,0|2,0,0]=4 5709 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 11a_100102880703_100000210554 [0,2,0,0,0,0|2,0,0]=4 5710 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 1626a_100102880703_100000210554 [0,2,0,0,0,0|2,0,0]=4 5711 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100000210554 [0,2,0,0,0,0|2,0,0]=4 5712 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 527a_100102880703_100000210554 [0,2,0,0,0,0|2,0,0]=4 5713 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000210554 [0,2,0,0,0,0|2,0,0]=4 5714 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000210554 [0,2,0,0,0,0|2,0,0]=4 5715 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_100000067433_200025704644 [0,2,0,0,0,0|2,0,0]=4 5716 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_200025704644_100000067433 [0,2,0,0,0,0|2,0,0]=4 5717 B10R0.44 CCC(=CC(=O)CC(C)C)C 1458a_100020758463_100000210624 [0,2,0,0,0,0|1,0,1]=4 5718 B10R0.44 CCC(=CC(=O)CC(C)O)C 1458a_100020758463_100011218427 [0,2,0,0,0,0|1,0,1]=4 5719 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [0,2,0,0,0,0|1,0,1]=4 5720 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [0,2,0,0,0,0|1,0,1]=4 5721 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [0,2,0,0,0,0|1,0,0]=3 5722 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [0,2,0,0,0,0|1,0,0]=3 5723 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [0,2,0,0,0,0|1,0,0]=3 5724 B10R0.44 CCC(C)CC(=O)CC(F)F 1458a_100000708755_100011934356 [0,2,0,0,0,0|2,0,0]=4 5725 B10R0.44 CCC(C)CC(=O)CN(C)C 1458a_100000750896_100000748023 [0,2,0,0,0,0|2,0,0]=4 5726 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [0,2,0,0,0,0|1,0,0]=3 5727 B10R0.44 CCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748023 [0,2,0,0,0,0|2,0,0]=4 5728 B10R0.44 CCC(C)CC(=O)NC(C)C 11a_100138425928_100000708755 [0,2,0,0,0,0|2,0,0]=4 5729 B10R0.44 CCC(C)CC(=O)NC(C)C 1626a_100138425928_100000708755 [0,2,0,0,0,0|2,0,0]=4 5730 B10R0.44 CCC(C)CC(=O)NC(C)C 240690a_100138425928_100000708755 [0,2,0,0,0,0|2,0,0]=4 5731 B10R0.44 CCC(C)CC(=O)NC(C)C 527a_100138425928_100000708755 [0,2,0,0,0,0|2,0,0]=4 5732 B10R0.44 CCC(C)NC(=O)CC(=O)C 1458a_100000070787_100000182745 [0,2,0,0,0,0|1,0,1]=4 5733 B10R0.44 CCC(C)NC(=O)CC(C)C 11a_100000209981_100000210554 [0,2,0,0,0,0|1,0,0]=3 5734 B10R0.44 CCC(C)NC(=O)CC(C)C 1626a_100000209981_100000210554 [0,2,0,0,0,0|1,0,0]=3 5735 B10R0.44 CCC(C)NC(=O)CC(C)C 240690a_100000209981_100000210554 [0,2,0,0,0,0|1,0,0]=3 5736 B10R0.44 CCC(C)NC(=O)CC(C)C 527a_100000209981_100000210554 [0,2,0,0,0,0|1,0,0]=3 5737 B10R0.44 CCC(C)NC(=O)CN(C)C 11a_100000209981_100000750896 [0,2,0,0,0,0|2,0,0]=4 5738 B10R0.44 CCC(C)NC(=O)CN(C)C 2230a_100102631434_100000182745 [0,2,0,0,0,0|2,0,0]=4 5739 B10R0.44 CCC(C)NC(=O)CN(C)C 240690a_100000209981_100000750896 [0,2,0,0,0,0|2,0,0]=4 5740 B10R0.44 CCC(C)NC(=O)CN(C)C 269982a_100102631434_100000182745 [0,2,0,0,0,0|2,0,0]=4 5741 B10R0.44 CCC(C)NC(=O)CN(C)C 527a_100000209981_100000750896 [0,2,0,0,0,0|2,0,0]=4 5742 B10R0.44 CCC(C)NC(=O)C[C@@H](C)O 240690a_100000209981_100011933948 [0,2,0,0,0,0|1,0,0]=3 5743 B10R0.44 CCC(C)NC(=O)C[S+](C)C 11a_100000209981_200159257847 [0,2,0,0,0,0|2,0,0]=4 5744 B10R0.44 CCC(C)NC(=O)C[S+](C)C 1626a_100000209981_200159257847 [0,2,0,0,0,0|2,0,0]=4 5745 B10R0.44 CCC(C)NC(=O)C[S+](C)C 240690a_100000209981_200159257847 [0,2,0,0,0,0|2,0,0]=4 5746 B10R0.44 CCC(C)NC(=O)C[S+](C)C 527a_100000209981_200159257847 [0,2,0,0,0,0|2,0,0]=4 5747 B10R0.44 CCC(C)NC(=O)NC(C)C 2708a_100000209981_100138425928 [0,2,0,0,0,0|2,0,0]=4 5748 B10R0.44 CCC(C)NC(=O)NC(C)C 2708a_100138425928_100000209981 [0,2,0,0,0,0|2,0,0]=4 5749 B10R0.44 CCC(C)NC(=O)NC(C)C 273464a_100138425928_100000209981 [0,2,0,0,0,0|2,0,0]=4 5750 B10R0.44 CCC(C)NC(=O)NC(C)C 512a_100000209981_100138425928 [0,2,0,0,0,0|2,0,0]=4 5751 B10R0.44 CCC(C)NC(=O)NC(C)C 512a_100138425928_100000209981 [0,2,0,0,0,0|2,0,0]=4 5752 B10R0.44 CCC(C)OC(C)CC(C)C 34a_100000211805_100011215416 [0,2,0,0,0,0|1,0,1]=4 5753 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000210228_100000731052 [0,2,0,0,0,0|1,0,1]=4 5754 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000211805_100000758301 [0,2,0,0,0,0|1,0,1]=4 5755 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [0,2,0,0,0,0|1,0,0]=3 5756 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [0,2,0,0,0,0|1,0,0]=3 5757 B10R0.44 CCC(O)CC(=O)CC(C)O 1458a_100011667805_100011218427 [0,2,0,0,0,0|1,0,0]=3 5758 B10R0.44 CCC(O)CC(=O)CC(F)F 1458a_100011667805_100011934356 [0,2,0,0,0,0|2,0,0]=4 5759 B10R0.44 CCC(O)CC(=O)CN(C)C 1458a_100000750896_100011218378 [0,2,0,0,0,0|2,0,0]=4 5760 B10R0.44 CCC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218378 [0,2,0,0,0,0|1,0,0]=3 5761 B10R0.44 CCC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218378 [0,2,0,0,0,0|2,0,0]=4 5762 B10R0.44 CCC(O)CC(=O)NC(C)C 1626a_100138425928_100011667805 [0,2,0,0,0,0|2,0,0]=4 5763 B10R0.44 CCC(O)CC(=O)NC(C)C 240690a_100138425928_100011667805 [0,2,0,0,0,0|2,0,0]=4 5764 B10R0.44 CCN(C)CC(=O)CC(C)C 1458a_100116209913_100000210624 [0,2,0,0,0,0|2,0,0]=4 5765 B10R0.44 CCN(C)CC(=O)CC(C)O 1458a_100116209913_100011218427 [0,2,0,0,0,0|2,0,0]=4 5766 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [0,2,0,0,0,0|1,0,0]=3 5767 B10R0.44 CC[C@H](C)CC(=O)CN(C)C 1458a_100000750896_100009816398 [0,2,0,0,0,0|2,0,0]=4 5768 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [0,2,0,0,0,0|1,0,0]=3 5769 B10R0.44 CC[C@H](C)CC(=O)C[S+](C)C 1458a_200159257847_100009816398 [0,2,0,0,0,0|2,0,0]=4 5770 B10R0.44 CNC(C)OC(=O)OC(C)C 7a_106832991635_100000067433 [0,2,0,0,0,0|2,0,0]=4 5771 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_100000067433_200000210301 [0,2,0,0,0,0|2,0,0]=4 5772 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_200000210301_100000067433 [0,2,0,0,0,0|2,0,0]=4 5773 B10R0.44 C[C@@H](CO)CC(=O)C[C@@H](C)O 1458a_100011933948_100000059175 [0,2,0,0,0,0|2,0,0]=4 5774 B10R0.44 C[C@H](CF)NC(=O)C[C@@H](C)O 240690a_100102880703_100011933948 [0,2,0,0,0,0|2,0,0]=4 5775 B10R0.44 C[C@H](CO)NC(=O)C[C@@H](C)O 240690a_100000737577_100011933948 [0,2,0,0,0,0|2,0,0]=4 5776 B10R0.81 CC(C)C(C)C(=O)CCCF 1458a_100000755409_100011934791 [0,2,0,0,0,0|2,0,0]=4 5777 B10R0.81 CC(C)C(C)C(=O)CCCO 1458a_100000755409_100011215043 [0,2,0,0,0,0|2,0,0]=4 5778 B10R0.81 CC(C)C(C)C(=O)NCCF 11a_100000724931_100000755409 [0,2,0,0,0,0|2,0,0]=4 5779 B10R0.81 CC(C)C(C)C(=O)NCCF 1626a_100000724931_100000755409 [0,2,0,0,0,0|2,0,0]=4 5780 B10R0.81 CC(C)C(C)C(=O)NCCF 240690a_100000724931_100000755409 [0,2,0,0,0,0|2,0,0]=4 5781 B10R0.81 CC(C)C(C)C(=O)NCCF 527a_100000724931_100000755409 [0,2,0,0,0,0|2,0,0]=4 5782 B10R0.81 CC(C)C(C)C(=O)NCCO 240690a_100000210304_100000755409 [0,2,0,0,0,0|2,0,0]=4 5783 B10R0.81 CC(C)C(C)C(=O)NCCO 527a_100000210304_100000755409 [0,2,0,0,0,0|2,0,0]=4 5784 B10R0.81 CC(C)[C@@H](O)C(=O)CCCF 1458a_100000691806_100011934791 [0,2,0,0,0,0|2,0,0]=4 5785 B10R0.81 CC(C)[C@@H](O)C(=O)CCCO 1458a_100000691806_100011215043 [0,2,0,0,0,0|2,0,0]=4 5786 B10R0.81 CC(C)[C@@H](O)C(=O)NCCF 240690a_100000724931_100000691806 [0,2,0,0,0,0|2,0,0]=4 5787 B10R0.81 CC(C)[C@@H](O)C(=O)NCCO 240690a_100000210304_100000691806 [0,2,0,0,0,0|2,0,0]=4 5788 B10R0.81 CCCCC(=O)C(C)C(=O)C 1458a_100000210183_100000179758 [0,2,0,0,0,0|1,0,1]=4 5789 B10R0.81 CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210211 [0,2,0,0,0,0|1,0,0]=3 5790 B10R0.81 CCCCC(=O)N(C)C(C)C 11a_200000211004_100000210183 [0,2,0,0,0,0|2,0,0]=4 5791 B10R0.81 CCCCC(=O)N(C)C(C)C 1626a_200000211004_100000210183 [0,2,0,0,0,0|2,0,0]=4 5792 B10R0.81 CCCCC(=O)N(C)C(C)C 240690a_200000211004_100000210183 [0,2,0,0,0,0|2,0,0]=4 5793 B10R0.81 CCCCC(=O)N(C)C(C)C 527a_200000211004_100000210183 [0,2,0,0,0,0|2,0,0]=4 5794 B10R0.81 CCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210211 [0,2,0,0,0,0|2,0,0]=4 5795 B10R0.81 CCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210211 [0,2,0,0,0,0|1,0,0]=3 5796 B10R0.81 CCCNC(=O)C(=O)C(C)C 1458a_200011297150_100000210206 [0,2,0,0,0,0|1,0,1]=4 5797 B10R0.81 CCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230305 [0,2,0,0,0,0|1,0,1]=4 5798 B10R0.81 CCCNC(=O)C(C)C(C)C 11a_100020643023_100000755409 [0,2,0,0,0,0|1,0,0]=3 5799 B10R0.81 CCCNC(=O)C(C)C(C)C 1626a_100020643023_100000755409 [0,2,0,0,0,0|1,0,0]=3 5800 B10R0.81 CCCNC(=O)C(C)C(C)C 240690a_100020643023_100000755409 [0,2,0,0,0,0|1,0,0]=3 5801 B10R0.81 CCCNC(=O)C(C)C(C)C 527a_100020643023_100000755409 [0,2,0,0,0,0|1,0,0]=3 5802 B10R0.81 CCCNC(=O)C(C)N(C)C 2230a_100102631434_100000230305 [0,2,0,0,0,0|2,0,0]=4 5803 B10R0.81 CCCNC(=O)C(C)N(C)C 269982a_100102631434_100000230305 [0,2,0,0,0,0|2,0,0]=4 5804 B10R0.81 CCCNC(=O)N(C)C(C)C 2708a_100020643023_200000211004 [0,2,0,0,0,0|2,0,0]=4 5805 B10R0.81 CCCNC(=O)N(C)C(C)C 273464a_100020643023_200000211004 [0,2,0,0,0,0|2,0,0]=4 5806 B10R0.81 CCCNC(=O)[C@H](C)N(C)C 240690a_100020643023_100009822176 [0,2,0,0,0,0|2,0,0]=4 5807 B10R0.81 CCCNC(=O)[C@H](C)N(C)C 527a_100020643023_100009822176 [0,2,0,0,0,0|2,0,0]=4 5808 B10R0.81 CCCNC(=O)[C@H](O)C(C)C 240690a_100020643023_100000691806 [0,2,0,0,0,0|1,0,0]=3 5809 B10R0.81 CCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000760410 [0,2,0,0,0,0|0,0,1]=3 5810 B10R0.81 CCCOC(=O)C(C)N(C)C 2230a_100102631434_100000760410 [0,2,0,0,0,0|1,0,0]=3 5811 B10R0.81 CCCOC(=O)C(C)N(C)C 269982a_100102631434_100000760410 [0,2,0,0,0,0|1,0,0]=3 5812 B10R0.81 CCNNC(=O)C(C)C(C)C 22a_100000756455_100000755409 [0,2,0,0,0,0|2,0,0]=4 5813 B10R0.81 CCNNC(=O)[C@H](O)C(C)C 22a_100000756455_100000691806 [0,2,0,0,0,0|2,0,0]=4 5814 B10R0.81 COCCC(=O)C(C)C(C)C 1458a_100000755409_100000233755 [0,2,0,0,0,0|2,0,0]=4 5815 B10R0.81 COCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000233755 [0,2,0,0,0,0|2,0,0]=4 5816 B10R0.81 CSCCC(=O)C(C)C(C)C 1458a_100000755409_100000751147 [0,2,0,0,0,0|2,0,0]=4 5817 B10R0.81 CSCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000751147 [0,2,0,0,0,0|2,0,0]=4 5818 B10R0.87 C#CC(CC(C)C)OCCC 34a_100011215986_100000210303 [0,2,0,0,0,0|1,0,1]=4 5819 B10R0.87 C#CC(CC(C)C)OCCC 7a_100011215986_100000210303 [0,2,0,0,0,0|1,0,1]=4 5820 B10R0.87 C=CC(CC(C)C)OCCC 34a_100012186643_100000210303 [0,2,0,0,0,0|1,0,1]=4 5821 B10R0.87 C=CC(CC(C)C)OCCC 7a_100012186643_100000210303 [0,2,0,0,0,0|1,0,1]=4 5822 B10R0.87 CCCOC(C#N)CC(C)C 34a_200011294978_100000210303 [0,2,0,0,0,0|1,0,1]=4 5823 B10R0.87 CCCOC(C#N)CC(C)C 7a_200011294978_100000210303 [0,2,0,0,0,0|1,0,1]=4 5824 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [0,2,0,0,0,0|1,0,1]=4 5825 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_100000210554_100000730704 [0,2,0,0,0,0|1,0,1]=4 5826 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_200000688413_100000210624 [0,2,0,0,0,0|1,0,1]=4 5827 B10R0.96 C=C(C)CCC(=O)CC(C)O 1458a_200000688413_100011218427 [0,2,0,0,0,0|1,0,1]=4 5828 B10R0.96 C=C(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000730704 [0,2,0,0,0,0|1,0,1]=4 5829 B10R0.96 C=C(C)CNC(=O)CC(C)C 11a_100000765925_100000210554 [0,2,0,0,0,0|1,0,1]=4 5830 B10R0.96 C=C(C)CNC(=O)CC(C)C 1626a_100000765925_100000210554 [0,2,0,0,0,0|1,0,1]=4 5831 B10R0.96 C=C(C)CNC(=O)CC(C)C 240690a_100000765925_100000210554 [0,2,0,0,0,0|1,0,1]=4 5832 B10R0.96 C=C(C)CNC(=O)CC(C)C 527a_100000765925_100000210554 [0,2,0,0,0,0|1,0,1]=4 5833 B10R0.96 C=C(C)CNC(=O)C[C@@H](C)O 240690a_100000765925_100011933948 [0,2,0,0,0,0|1,0,1]=4 5834 B10R0.96 CC(=O)CC(=O)NCC(C)C 1458a_100000070787_100000183291 [0,2,0,0,0,0|1,0,1]=4 5835 B10R0.96 CC(=O)CNC(=O)CC(C)C 1458a_100000194594_200000210301 [0,2,0,0,0,0|1,0,1]=4 5836 B10R0.96 CC(=O)COC(=O)OC(C)C 1458a_100000070787_100000003507 [0,2,0,0,0,0|1,0,1]=4 5837 B10R0.96 CC(C)C=CC(=O)CC(C)C 1458a_100016268746_100000210624 [0,2,0,0,0,0|1,0,1]=4 5838 B10R0.96 CC(C)C=CC(=O)CC(C)O 1458a_100016268746_100011218427 [0,2,0,0,0,0|1,0,1]=4 5839 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,2,0,0,0,0|1,0,0]=3 5840 B10R0.96 CC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000210624 [0,2,0,0,0,0|2,0,0]=4 5841 B10R0.96 CC(C)CC(=O)COC(C)C 1458a_100000745533_100000210624 [0,2,0,0,0,0|2,0,0]=4 5842 B10R0.96 CC(C)CC(=O)CSC(C)C 1458a_100000241585_100000210624 [0,2,0,0,0,0|2,0,0]=4 5843 B10R0.96 CC(C)CC(=O)NCC(=O)[13CH3] 1458a_100000194594_200025704644 [0,2,0,0,0,0|1,0,1]=4 5844 B10R0.96 CC(C)CC(=O)NCC(C)O 11a_100000210904_100000210554 [0,2,0,0,0,0|1,0,0]=3 5845 B10R0.96 CC(C)CC(=O)NCC(C)O 240690a_100000210904_100000210554 [0,2,0,0,0,0|1,0,0]=3 5846 B10R0.96 CC(C)CC(=O)NCC(C)O 527a_100000210904_100000210554 [0,2,0,0,0,0|1,0,0]=3 5847 B10R0.96 CC(C)CC(=O)NCC(F)F 11a_100000765723_100000210554 [0,2,0,0,0,0|2,0,0]=4 5848 B10R0.96 CC(C)CC(=O)NCC(F)F 1626a_100000765723_100000210554 [0,2,0,0,0,0|2,0,0]=4 5849 B10R0.96 CC(C)CC(=O)NCC(F)F 240690a_100000765723_100000210554 [0,2,0,0,0,0|2,0,0]=4 5850 B10R0.96 CC(C)CC(=O)NCC(F)F 527a_100000765723_100000210554 [0,2,0,0,0,0|2,0,0]=4 5851 B10R0.96 CC(C)CC(=O)NNC(C)C 22a_100000741168_100000210554 [0,2,0,0,0,0|2,0,0]=4 5852 B10R0.96 CC(C)CC(C)OCC(C)Br 34a_100012180447_100000731052 [0,2,0,0,0,0|1,0,1]=4 5853 B10R0.96 CC(C)CC(C)OCC(C)F 34a_100015925927_100000731052 [0,2,0,0,0,0|1,0,1]=4 5854 B10R0.96 CC(C)CC(C)OCC(C)O 34a_100000211805_100011218427 [0,2,0,0,0,0|1,0,1]=4 5855 B10R0.96 CC(C)CC(C)OCC(C)O 7a_100000211805_100011218427 [0,2,0,0,0,0|1,0,1]=4 5856 B10R0.96 CC(C)CC(C)OC[C@@H](C)Cl 34a_100016084084_100000731052 [0,2,0,0,0,0|1,0,1]=4 5857 B10R0.96 CC(C)CC(C)OC[C@@H](C)N 34a_100000737577_100000731052 [0,2,0,0,0,0|1,0,1]=4 5858 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 34a_100000211805_100009817552 [0,2,0,0,0,0|1,0,1]=4 5859 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 7a_100000211805_100009817552 [0,2,0,0,0,0|1,0,1]=4 5860 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [0,2,0,0,0,0|1,0,0]=3 5861 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [0,2,0,0,0,0|1,0,0]=3 5862 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,2,0,0,0,0|1,0,0]=3 5863 B10R0.96 CC(C)CCC(=O)CC(F)F 1458a_100000181311_100011934356 [0,2,0,0,0,0|2,0,0]=4 5864 B10R0.96 CC(C)CCC(=O)CN(C)C 1458a_100000750896_100000210312 [0,2,0,0,0,0|2,0,0]=4 5865 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,2,0,0,0,0|1,0,0]=3 5866 B10R0.96 CC(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000210312 [0,2,0,0,0,0|2,0,0]=4 5867 B10R0.96 CC(C)CCC(=O)NC(C)C 11a_100138425928_100000181311 [0,2,0,0,0,0|2,0,0]=4 5868 B10R0.96 CC(C)CCC(=O)NC(C)C 1626a_100138425928_100000181311 [0,2,0,0,0,0|2,0,0]=4 5869 B10R0.96 CC(C)CCC(=O)NC(C)C 240690a_100138425928_100000181311 [0,2,0,0,0,0|2,0,0]=4 5870 B10R0.96 CC(C)CCC(=O)NC(C)C 527a_100138425928_100000181311 [0,2,0,0,0,0|2,0,0]=4 5871 B10R0.96 CC(C)CNC(=O)CC(C)C 11a_100000210953_100000210554 [0,2,0,0,0,0|1,0,0]=3 5872 B10R0.96 CC(C)CNC(=O)CC(C)C 1626a_100000210953_100000210554 [0,2,0,0,0,0|1,0,0]=3 5873 B10R0.96 CC(C)CNC(=O)CC(C)C 240690a_100000210953_100000210554 [0,2,0,0,0,0|1,0,0]=3 5874 B10R0.96 CC(C)CNC(=O)CC(C)C 527a_100000210953_100000210554 [0,2,0,0,0,0|1,0,0]=3 5875 B10R0.96 CC(C)CNC(=O)CN(C)C 11a_100000210953_100000750896 [0,2,0,0,0,0|2,0,0]=4 5876 B10R0.96 CC(C)CNC(=O)CN(C)C 2230a_100102631434_100000183291 [0,2,0,0,0,0|2,0,0]=4 5877 B10R0.96 CC(C)CNC(=O)CN(C)C 240690a_100000210953_100000750896 [0,2,0,0,0,0|2,0,0]=4 5878 B10R0.96 CC(C)CNC(=O)CN(C)C 269982a_100102631434_100000183291 [0,2,0,0,0,0|2,0,0]=4 5879 B10R0.96 CC(C)CNC(=O)CN(C)C 527a_100000210953_100000750896 [0,2,0,0,0,0|2,0,0]=4 5880 B10R0.96 CC(C)CNC(=O)C[C@@H](C)O 240690a_100000210953_100011933948 [0,2,0,0,0,0|1,0,0]=3 5881 B10R0.96 CC(C)CNC(=O)C[S+](C)C 11a_100000210953_200159257847 [0,2,0,0,0,0|2,0,0]=4 5882 B10R0.96 CC(C)CNC(=O)C[S+](C)C 1626a_100000210953_200159257847 [0,2,0,0,0,0|2,0,0]=4 5883 B10R0.96 CC(C)CNC(=O)C[S+](C)C 240690a_100000210953_200159257847 [0,2,0,0,0,0|2,0,0]=4 5884 B10R0.96 CC(C)CNC(=O)C[S+](C)C 527a_100000210953_200159257847 [0,2,0,0,0,0|2,0,0]=4 5885 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100000210953_100138425928 [0,2,0,0,0,0|2,0,0]=4 5886 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100138425928_100000210953 [0,2,0,0,0,0|2,0,0]=4 5887 B10R0.96 CC(C)CNC(=O)NC(C)C 273464a_100138425928_100000210953 [0,2,0,0,0,0|2,0,0]=4 5888 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100000210953_100138425928 [0,2,0,0,0,0|2,0,0]=4 5889 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100138425928_100000210953 [0,2,0,0,0,0|2,0,0]=4 5890 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000210257_100000731052 [0,2,0,0,0,0|1,0,1]=4 5891 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000211805_100000210624 [0,2,0,0,0,0|1,0,1]=4 5892 B10R0.96 CC(C)COC(C)CC(C)C 7a_100000211805_100000210760 [0,2,0,0,0,0|1,0,1]=4 5893 B10R0.96 CC(C)NNC(=O)C[C@@H](C)O 22a_100000741168_100011933948 [0,2,0,0,0,0|2,0,0]=4 5894 B10R0.96 CC(C)OC(=O)OCN(C)C 269982a_100102631434_100010125566 [0,2,0,0,0,0|2,0,0]=4 5895 B10R0.96 CC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218427 [0,2,0,0,0,0|2,0,0]=4 5896 B10R0.96 CC(O)CC(=O)COC(C)C 1458a_100000745533_100011218427 [0,2,0,0,0,0|2,0,0]=4 5897 B10R0.96 CC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218427 [0,2,0,0,0,0|2,0,0]=4 5898 B10R0.96 CC(O)CCC(=O)CN(C)C 1458a_100000750896_100012276601 [0,2,0,0,0,0|2,0,0]=4 5899 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,2,0,0,0,0|1,0,0]=3 5900 B10R0.96 CC(O)CCC(=O)C[S+](C)C 1458a_200159257847_100012276601 [0,2,0,0,0,0|2,0,0]=4 5901 B10R0.96 CC(O)CCC(=O)NC(C)C 1626a_100138425928_100000718519 [0,2,0,0,0,0|2,0,0]=4 5902 B10R0.96 CC(O)CNC(=O)CN(C)C 11a_100000210904_100000750896 [0,2,0,0,0,0|2,0,0]=4 5903 B10R0.96 CC(O)CNC(=O)CN(C)C 240690a_100000210904_100000750896 [0,2,0,0,0,0|2,0,0]=4 5904 B10R0.96 CC(O)CNC(=O)CN(C)C 527a_100000210904_100000750896 [0,2,0,0,0,0|2,0,0]=4 5905 B10R0.96 CC(O)CNC(=O)C[C@@H](C)O 240690a_100000210904_100011933948 [0,2,0,0,0,0|1,0,0]=3 5906 B10R0.96 CC(O)CNC(=O)C[S+](C)C 11a_100000210904_200159257847 [0,2,0,0,0,0|2,0,0]=4 5907 B10R0.96 CC(O)CNC(=O)C[S+](C)C 240690a_100000210904_200159257847 [0,2,0,0,0,0|2,0,0]=4 5908 B10R0.96 CC(O)CNC(=O)C[S+](C)C 527a_100000210904_200159257847 [0,2,0,0,0,0|2,0,0]=4 5909 B10R0.96 CC(O)CNC(=O)NC(C)C 2708a_100138425928_100000210904 [0,2,0,0,0,0|2,0,0]=4 5910 B10R0.96 CC(O)CNC(=O)NC(C)C 273464a_100138425928_100000210904 [0,2,0,0,0,0|2,0,0]=4 5911 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100000210904_100138425928 [0,2,0,0,0,0|2,0,0]=4 5912 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100138425928_100000210904 [0,2,0,0,0,0|2,0,0]=4 5913 B10R0.96 C[C@@H](O)CC(=O)NCC(F)F 240690a_100000765723_100011933948 [0,2,0,0,0,0|2,0,0]=4 5914 B10R0.122 CCCNS(=O)(=O)CC(C)C 270084a_100020643023_100000748289 [0,2,0,0,0,0|2,0,0]=4 5915 B10R0.122 CCCNS(=O)(=O)CC(C)C 274078a_100020643023_100000748289 [0,2,0,0,0,0|2,0,0]=4 5916 B10R0.1 C#CCC(=O)CCOCCC 1458a_100011220946_100011215938 [0,2,0,0,0,0|0,0,2]=4 5917 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [0,2,0,0,0,0|0,0,2]=4 5918 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [0,2,0,0,0,0|0,0,2]=4 5919 B10R0.1 C#CCC(=O)COCCOC 1458a_100000211095_100000184674 [0,2,0,0,0,0|0,0,2]=4 5920 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,2,0,0,0,0|1,0,0]=3 5921 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,2,0,0,0,0|1,0,0]=3 5922 B10R0.1 C#CCCCCC(=O)CCF 1458a_100000696528_100011217306 [0,2,0,0,0,0|2,0,0]=4 5923 B10R0.1 C#CCCCCC(=O)CCO 1458a_100000696528_100000211926 [0,2,0,0,0,0|2,0,0]=4 5924 B10R0.1 C#CCCCCC(=O)CCO 1458a_100011216618_100010269958 [0,2,0,0,0,0|2,0,0]=4 5925 B10R0.1 C#CCCCCC(=O)COC 1458a_100000210968_100010269958 [0,2,0,0,0,0|2,0,0]=4 5926 B10R0.1 C#CCCCCC(=O)CSC 1458a_100000184570_100010269958 [0,2,0,0,0,0|2,0,0]=4 5927 B10R0.1 C#CCCCCC(=O)NCC 11a_100015525214_100000696528 [0,2,0,0,0,0|2,0,0]=4 5928 B10R0.1 C#CCCCCC(=O)NCC 240690a_100015525214_100000696528 [0,2,0,0,0,0|2,0,0]=4 5929 B10R0.1 C#CCCCCC(=O)NCC 527a_100015525214_100000696528 [0,2,0,0,0,0|2,0,0]=4 5930 B10R0.1 C#CCCCNC(=O)CCC 11a_100000718082_100000211992 [0,2,0,0,0,0|1,0,0]=3 5931 B10R0.1 C#CCCCNC(=O)CCC 1626a_100000718082_100000211992 [0,2,0,0,0,0|1,0,0]=3 5932 B10R0.1 C#CCCCNC(=O)CCC 240690a_100000718082_100000211992 [0,2,0,0,0,0|1,0,0]=3 5933 B10R0.1 C#CCCCNC(=O)CCC 527a_100000718082_100000211992 [0,2,0,0,0,0|1,0,0]=3 5934 B10R0.1 C#CCCCNC(=O)CCO 240690a_100000718082_100011216618 [0,2,0,0,0,0|2,0,0]=4 5935 B10R0.1 C#CCCCNC(=O)COC 11a_100000718082_100000210968 [0,2,0,0,0,0|2,0,0]=4 5936 B10R0.1 C#CCCCNC(=O)COC 1626a_100000718082_100000210968 [0,2,0,0,0,0|2,0,0]=4 5937 B10R0.1 C#CCCCNC(=O)COC 240690a_100000718082_100000210968 [0,2,0,0,0,0|2,0,0]=4 5938 B10R0.1 C#CCCCNC(=O)COC 527a_100000718082_100000210968 [0,2,0,0,0,0|2,0,0]=4 5939 B10R0.1 C#CCCCNC(=O)CSC 11a_100000718082_100000184570 [0,2,0,0,0,0|2,0,0]=4 5940 B10R0.1 C#CCCCNC(=O)CSC 1626a_100000718082_100000184570 [0,2,0,0,0,0|2,0,0]=4 5941 B10R0.1 C#CCCCNC(=O)CSC 240690a_100000718082_100000184570 [0,2,0,0,0,0|2,0,0]=4 5942 B10R0.1 C#CCCCNC(=O)CSC 527a_100000718082_100000184570 [0,2,0,0,0,0|2,0,0]=4 5943 B10R0.1 C#CCCCNC(=O)NCC 2708a_100000718082_100015525214 [0,2,0,0,0,0|2,0,0]=4 5944 B10R0.1 C#CCCCNC(=O)NCC 2708a_100015525214_100000718082 [0,2,0,0,0,0|2,0,0]=4 5945 B10R0.1 C#CCCCNC(=O)NCC 273464a_100000718082_100015525214 [0,2,0,0,0,0|2,0,0]=4 5946 B10R0.1 C#CCCCNC(=O)NCC 273464a_100015525214_100000718082 [0,2,0,0,0,0|2,0,0]=4 5947 B10R0.1 C#CCCCNC(=O)NCC 512a_100000718082_100015525214 [0,2,0,0,0,0|2,0,0]=4 5948 B10R0.1 C#CCCCNC(=O)NCC 512a_100015525214_100000718082 [0,2,0,0,0,0|2,0,0]=4 5949 B10R0.1 C#CCCCOC(C)CCC 34a_100000215630_100000766640 [0,2,0,0,0,0|1,0,1]=4 5950 B10R0.1 C#CCCCOC(C)CCC 34a_100000764384_100000695029 [0,2,0,0,0,0|1,0,1]=4 5951 B10R0.1 C#CCCCOC(C)CCC 7a_100000215630_100000766640 [0,2,0,0,0,0|1,0,1]=4 5952 B10R0.1 C#CCCCOC(C)CCC 7a_100000764384_100011215417 [0,2,0,0,0,0|1,0,1]=4 5953 B10R0.1 C#CCCOCC(=O)NCC 34a_100011215631_100000183381 [0,2,0,0,0,0|1,0,1]=4 5954 B10R0.1 C#CCCOCC(=O)OCC 34a_100011215631_100000188475 [0,2,0,0,0,0|1,0,1]=4 5955 B10R0.1 C#CCCSCC(=O)CCC 62a_100000688953_100000747444 [0,2,0,0,0,0|0,1,1]=4 5956 B10R0.1 C#CCCSCC(=O)CCC 62a_100000747444_100000688953 [0,2,0,0,0,0|0,1,1]=4 5957 B10R0.1 C#CCNCOC(=O)CCC 34a_100000212058_100000034017 [0,2,0,0,0,0|0,0,1]=3 5958 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000211992_100010402529 [0,2,0,0,0,0|0,0,2]=4 5959 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000693358_100000210303 [0,2,0,0,0,0|0,0,2]=4 5960 B10R0.1 C#CCOCOC(=O)CCC 34a_100000210247_100000034017 [0,2,0,0,0,0|0,0,1]=3 5961 B10R0.1 C#CCSCOC(=O)CCC 62a_100000038162_100000034017 [0,2,0,0,0,0|0,0,1]=3 5962 B10R0.1 C#CCSCOC(=O)OCC 62a_100000038162_100000075025 [0,2,0,0,0,0|1,0,1]=4 5963 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [0,2,0,0,0,0|1,0,1]=4 5964 B10R0.1 C/C=C/COCC(=O)NCC 34a_100016270725_100000183381 [0,2,0,0,0,0|1,0,1]=4 5965 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [0,2,0,0,0,0|1,0,1]=4 5966 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100000747444_100102629194 [0,2,0,0,0,0|0,1,1]=4 5967 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100102629194_100000747444 [0,2,0,0,0,0|0,1,1]=4 5968 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [0,2,0,0,0,0|0,0,2]=4 5969 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,2,0,0,0,0|0,0,2]=4 5970 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,2,0,0,0,0|0,0,2]=4 5971 B10R0.1 C=CCC(=O)COCCOC 1458a_100000211095_100000210623 [0,2,0,0,0,0|0,0,2]=4 5972 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,2,0,0,0,0|1,0,0]=3 5973 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,2,0,0,0,0|1,0,0]=3 5974 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [0,2,0,0,0,0|2,0,0]=4 5975 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,2,0,0,0,0|2,0,0]=4 5976 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,2,0,0,0,0|2,0,0]=4 5977 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,2,0,0,0,0|2,0,0]=4 5978 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [0,2,0,0,0,0|2,0,0]=4 5979 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,2,0,0,0,0|2,0,0]=4 5980 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,2,0,0,0,0|2,0,0]=4 5981 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,2,0,0,0,0|2,0,0]=4 5982 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [0,2,0,0,0,0|1,0,0]=3 5983 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [0,2,0,0,0,0|1,0,0]=3 5984 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [0,2,0,0,0,0|1,0,0]=3 5985 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [0,2,0,0,0,0|1,0,0]=3 5986 B10R0.1 C=CCCCNC(=O)CCO 240690a_100000700776_100011216618 [0,2,0,0,0,0|2,0,0]=4 5987 B10R0.1 C=CCCCNC(=O)COC 11a_100000700776_100000210968 [0,2,0,0,0,0|2,0,0]=4 5988 B10R0.1 C=CCCCNC(=O)COC 1626a_100000700776_100000210968 [0,2,0,0,0,0|2,0,0]=4 5989 B10R0.1 C=CCCCNC(=O)COC 240690a_100000700776_100000210968 [0,2,0,0,0,0|2,0,0]=4 5990 B10R0.1 C=CCCCNC(=O)COC 527a_100000700776_100000210968 [0,2,0,0,0,0|2,0,0]=4 5991 B10R0.1 C=CCCCNC(=O)CSC 11a_100000700776_100000184570 [0,2,0,0,0,0|2,0,0]=4 5992 B10R0.1 C=CCCCNC(=O)CSC 1626a_100000700776_100000184570 [0,2,0,0,0,0|2,0,0]=4 5993 B10R0.1 C=CCCCNC(=O)CSC 240690a_100000700776_100000184570 [0,2,0,0,0,0|2,0,0]=4 5994 B10R0.1 C=CCCCNC(=O)CSC 527a_100000700776_100000184570 [0,2,0,0,0,0|2,0,0]=4 5995 B10R0.1 C=CCCCNC(=O)NCC 2708a_100000700776_100015525214 [0,2,0,0,0,0|2,0,0]=4 5996 B10R0.1 C=CCCCNC(=O)NCC 2708a_100015525214_100000700776 [0,2,0,0,0,0|2,0,0]=4 5997 B10R0.1 C=CCCCNC(=O)NCC 273464a_100000700776_100015525214 [0,2,0,0,0,0|2,0,0]=4 5998 B10R0.1 C=CCCCNC(=O)NCC 273464a_100015525214_100000700776 [0,2,0,0,0,0|2,0,0]=4 5999 B10R0.1 C=CCCCNC(=O)NCC 512a_100000700776_100015525214 [0,2,0,0,0,0|2,0,0]=4 6000 B10R0.1 C=CCCCNC(=O)NCC 512a_100015525214_100000700776 [0,2,0,0,0,0|2,0,0]=4 6001 B10R0.1 C=CCCCOC(C)CCC 34a_100000758997_100000766640 [0,2,0,0,0,0|1,0,1]=4 6002 B10R0.1 C=CCCCOC(C)CCC 34a_100000764384_100000757094 [0,2,0,0,0,0|1,0,1]=4 6003 B10R0.1 C=CCCCOC(C)CCC 7a_100000758997_100000766640 [0,2,0,0,0,0|1,0,1]=4 6004 B10R0.1 C=CCCCOC(C)CCC 7a_100000764384_100000757094 [0,2,0,0,0,0|1,0,1]=4 6005 B10R0.1 C=CCCNCC(=O)CCC 2230a_100015191253_100000747444 [0,2,0,0,0,0|1,0,1]=4 6006 B10R0.1 C=CCCOCC(=O)NCC 34a_100011205117_100000183381 [0,2,0,0,0,0|1,0,1]=4 6007 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [0,2,0,0,0,0|1,0,1]=4 6008 B10R0.1 C=CCCSCC(=O)CCC 62a_100000747444_100000754431 [0,2,0,0,0,0|0,1,1]=4 6009 B10R0.1 C=CCCSCC(=O)CCC 62a_100000754431_100000747444 [0,2,0,0,0,0|0,1,1]=4 6010 B10R0.1 C=CCNCOC(=O)CCC 2230a_100020586998_100000034017 [0,2,0,0,0,0|0,0,1]=3 6011 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [0,2,0,0,0,0|0,0,2]=4 6012 B10R0.1 C=CCOCOC(=O)CCC 34a_200000210373_100000034017 [0,2,0,0,0,0|0,0,1]=3 6013 B10R0.1 C=CCSCOC(=O)CCC 62a_100000210623_100000034017 [0,2,0,0,0,0|0,0,1]=3 6014 B10R0.1 C=CCSCOC(=O)OCC 62a_100000210623_100000075025 [0,2,0,0,0,0|1,0,1]=4 6015 B10R0.1 CC#CC(=O)CCOCCC 1458a_100000763181_100011215938 [0,2,0,0,0,0|0,0,2]=4 6016 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [0,2,0,0,0,0|0,0,2]=4 6017 B10R0.1 CC#CCCOC(C)CCC 34a_100000750427_100000766640 [0,2,0,0,0,0|1,0,1]=4 6018 B10R0.1 CC#CCNCC(=O)CCC 2230a_100000685387_100000747444 [0,2,0,0,0,0|1,0,1]=4 6019 B10R0.1 CC#CCOCC(=O)NCC 34a_100000761923_100000183381 [0,2,0,0,0,0|1,0,1]=4 6020 B10R0.1 CC#CCOCC(=O)OCC 34a_100000761923_100000188475 [0,2,0,0,0,0|1,0,1]=4 6021 B10R0.1 CC#CCSCC(=O)CCC 62a_100000747444_100000748600 [0,2,0,0,0,0|0,1,1]=4 6022 B10R0.1 CC#CCSCC(=O)CCC 62a_100000748600_100000747444 [0,2,0,0,0,0|0,1,1]=4 6023 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,2,0,0,0,0|1,0,0]=3 6024 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,2,0,0,0,0|2,0,0]=4 6025 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,2,0,0,0,0|2,0,0]=4 6026 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [0,2,0,0,0,0|2,0,0]=4 6027 B10R0.1 CC/C=C\COC(C)CCC 34a_100000764384_100103147603 [0,2,0,0,0,0|1,0,1]=4 6028 B10R0.1 CC/C=C\COC(C)CCC 34a_100016268518_100000766640 [0,2,0,0,0,0|1,0,1]=4 6029 B10R0.1 CC/C=C\COC(C)CCC 7a_100000764384_100103147603 [0,2,0,0,0,0|1,0,1]=4 6030 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [0,2,0,0,0,0|0,0,2]=4 6031 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,2,0,0,0,0|0,0,2]=4 6032 B10R0.1 CC=CCSCC(=O)CCC 62a_100000070051_100000747444 [0,2,0,0,0,0|0,1,1]=4 6033 B10R0.1 CC=CCSCC(=O)CCC 62a_100000747444_100000070051 [0,2,0,0,0,0|0,1,1]=4 6034 B10R0.1 CCC#CCOC(C)CCC 34a_100000032950_100000766640 [0,2,0,0,0,0|1,0,1]=4 6035 B10R0.1 CCC#CCOC(C)CCC 34a_100000764384_100009813939 [0,2,0,0,0,0|1,0,1]=4 6036 B10R0.1 CCC#CCOC(C)CCC 7a_100000764384_100009813939 [0,2,0,0,0,0|1,0,1]=4 6037 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,2,0,0,0,0|1,0,0]=3 6038 B10R0.1 CCC/C=C/CC(=O)CCF 1458a_200016266809_100011217306 [0,2,0,0,0,0|2,0,0]=4 6039 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,2,0,0,0,0|2,0,0]=4 6040 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [0,2,0,0,0,0|2,0,0]=4 6041 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [0,2,0,0,0,0|2,0,0]=4 6042 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [0,2,0,0,0,0|2,0,0]=4 6043 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,2,0,0,0,0|1,0,0]=3 6044 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,2,0,0,0,0|1,0,0]=3 6045 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,2,0,0,0,0|1,0,0]=3 6046 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,2,0,0,0,0|1,0,0]=3 6047 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,2,0,0,0,0|1,0,0]=3 6048 B10R0.1 CCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210303 [0,2,0,0,0,0|2,0,0]=4 6049 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,2,0,0,0,0|1,0,0]=3 6050 B10R0.1 CCCC(=O)CCOCC#N 1458a_100000211992_200000047693 [0,2,0,0,0,0|1,0,1]=4 6051 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,2,0,0,0,0|1,0,0]=3 6052 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,2,0,0,0,0|1,0,0]=3 6053 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,2,0,0,0,0|1,0,0]=3 6054 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,2,0,0,0,0|1,0,0]=3 6055 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,2,0,0,0,0|1,0,0]=3 6056 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,2,0,0,0,0|0,0,0]=2 6057 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,2,0,0,0,0|0,0,0]=2 6058 B10R0.1 CCCC(=O)CSCCC#N 62a_100000747444_100011215226 [0,2,0,0,0,0|0,1,1]=4 6059 B10R0.1 CCCC(=O)CSCCC#N 62a_100011215226_100000747444 [0,2,0,0,0,0|0,1,1]=4 6060 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,2,0,0,0,0|0,1,0]=3 6061 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,2,0,0,0,0|0,1,0]=3 6062 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,2,0,0,0,0|0,1,0]=3 6063 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,2,0,0,0,0|0,1,0]=3 6064 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,2,0,0,0,0|0,1,0]=3 6065 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,2,0,0,0,0|0,1,0]=3 6066 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,2,0,0,0,0|0,1,0]=3 6067 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,2,0,0,0,0|0,1,0]=3 6068 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [0,2,0,0,0,0|0,1,0]=3 6069 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [0,2,0,0,0,0|0,1,0]=3 6070 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,2,0,0,0,0|1,0,0]=3 6071 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,2,0,0,0,0|1,0,0]=3 6072 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,2,0,0,0,0|1,0,0]=3 6073 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,2,0,0,0,0|1,0,0]=3 6074 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,2,0,0,0,0|1,0,0]=3 6075 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 6076 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 6077 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 6078 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 6079 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [0,2,0,0,0,0|1,0,0]=3 6080 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [0,2,0,0,0,0|1,0,0]=3 6081 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [0,2,0,0,0,0|1,0,0]=3 6082 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [0,2,0,0,0,0|1,0,0]=3 6083 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,2,0,0,0,0|1,0,0]=3 6084 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,2,0,0,0,0|1,0,0]=3 6085 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,2,0,0,0,0|1,0,0]=3 6086 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,2,0,0,0,0|1,0,0]=3 6087 B10R0.1 CCCC(=O)NNCCC#N 22a_100000229987_100000211992 [0,2,0,0,0,0|1,0,1]=4 6088 B10R0.1 CCCC(=O)NNCCOC 22a_100000741390_100000211992 [0,2,0,0,0,0|1,0,0]=3 6089 B10R0.1 CCCC(=O)OCNCCF 34a_100000724931_100000034017 [0,2,0,0,0,0|0,0,0]=2 6090 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [0,2,0,0,0,0|0,0,0]=2 6091 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [0,2,0,0,0,0|0,0,0]=2 6092 B10R0.1 CCCC(=O)OCOCCBr 34a_100000211926_100000034017 [0,2,0,0,0,0|0,0,0]=2 6093 B10R0.1 CCCC(=O)OCOCCN 34a_100000210304_100000034017 [0,2,0,0,0,0|0,0,0]=2 6094 B10R0.1 CCCC(=O)OCSCC#N 62a_100011215382_100000034017 [0,2,0,0,0,0|0,0,1]=3 6095 B10R0.1 CCCC(=O)OCSCC=O 62a_200015260668_100000034017 [0,2,0,0,0,0|0,0,1]=3 6096 B10R0.1 CCCC(=O)OCSCCF 62a_100011217306_100000034017 [0,2,0,0,0,0|0,0,0]=2 6097 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [0,2,0,0,0,0|0,0,0]=2 6098 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [0,2,0,0,0,0|0,0,0]=2 6099 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [0,2,0,0,0,0|0,0,0]=2 6100 B10R0.1 CCCC(C)COCCCBr 34a_100011217188_100011216630 [0,2,0,0,0,0|1,0,1]=4 6101 B10R0.1 CCCC(C)COCCCCl 34a_100000230001_100011216630 [0,2,0,0,0,0|1,0,1]=4 6102 B10R0.1 CCCC(C)COCCCF 34a_100000688023_100011934791 [0,2,0,0,0,0|1,0,1]=4 6103 B10R0.1 CCCC(C)COCCCF 34a_100000759539_100011216630 [0,2,0,0,0,0|1,0,1]=4 6104 B10R0.1 CCCC(C)COCCCF 7a_100000688023_100011934791 [0,2,0,0,0,0|1,0,1]=4 6105 B10R0.1 CCCC(C)COCCCN 34a_100000182051_100011216630 [0,2,0,0,0,0|1,0,1]=4 6106 B10R0.1 CCCC(C)COCCCO 34a_100000688023_100000230001 [0,2,0,0,0,0|1,0,1]=4 6107 B10R0.1 CCCC(C)COCCCO 7a_100000688023_100011215043 [0,2,0,0,0,0|1,0,1]=4 6108 B10R0.1 CCCC(C)COCCOC 34a_100000210237_100011216630 [0,2,0,0,0,0|1,0,1]=4 6109 B10R0.1 CCCC(C)COCCOC 34a_100000688023_100011201679 [0,2,0,0,0,0|1,0,1]=4 6110 B10R0.1 CCCC(C)COCCOC 7a_100000688023_100000233755 [0,2,0,0,0,0|1,0,1]=4 6111 B10R0.1 CCCC(C)COCCSC 34a_100000230434_100011216630 [0,2,0,0,0,0|1,0,1]=4 6112 B10R0.1 CCCC(C)COCCSC 34a_100000688023_100000212216 [0,2,0,0,0,0|1,0,1]=4 6113 B10R0.1 CCCC(C)COCCSC 7a_100000230434_100011216630 [0,2,0,0,0,0|1,0,1]=4 6114 B10R0.1 CCCC(C)COCCSC 7a_100000688023_100000212216 [0,2,0,0,0,0|1,0,1]=4 6115 B10R0.1 CCCC(C)OCCCC#N 7a_100000764384_100000687738 [0,2,0,0,0,0|1,0,1]=4 6116 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [0,2,0,0,0,0|1,0,1]=4 6117 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [0,2,0,0,0,0|1,0,1]=4 6118 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [0,2,0,0,0,0|1,0,1]=4 6119 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [0,2,0,0,0,0|1,0,1]=4 6120 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [0,2,0,0,0,0|1,0,1]=4 6121 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [0,2,0,0,0,0|1,0,1]=4 6122 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [0,2,0,0,0,0|1,0,1]=4 6123 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [0,2,0,0,0,0|1,0,1]=4 6124 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [0,2,0,0,0,0|1,0,1]=4 6125 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [0,2,0,0,0,0|1,0,1]=4 6126 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [0,2,0,0,0,0|1,0,1]=4 6127 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [0,2,0,0,0,0|1,0,1]=4 6128 B10R0.1 CCCC(C)OCCCNC 34a_100000213112_100000766640 [0,2,0,0,0,0|1,0,1]=4 6129 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [0,2,0,0,0,0|1,0,1]=4 6130 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [0,2,0,0,0,0|1,0,1]=4 6131 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [0,2,0,0,0,0|1,0,1]=4 6132 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [0,2,0,0,0,0|1,0,1]=4 6133 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [0,2,0,0,0,0|1,0,1]=4 6134 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [0,2,0,0,0,0|1,0,1]=4 6135 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [0,2,0,0,0,0|1,0,1]=4 6136 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [0,2,0,0,0,0|1,0,1]=4 6137 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [0,2,0,0,0,0|1,0,1]=4 6138 B10R0.1 CCCC(C)OCCSCC 34a_100000212035_100000766640 [0,2,0,0,0,0|1,0,1]=4 6139 B10R0.1 CCCC(C)OCCSCC 34a_100000764384_100000757381 [0,2,0,0,0,0|1,0,1]=4 6140 B10R0.1 CCCC(C)OCCSCC 7a_100000212035_100000766640 [0,2,0,0,0,0|1,0,1]=4 6141 B10R0.1 CCCC(C)OCCSCC 7a_100000764384_100000757381 [0,2,0,0,0,0|1,0,1]=4 6142 B10R0.1 CCCC=NNC(=O)CCC 4a_100000189770_100000185831 [0,2,0,0,0,0|1,0,0]=3 6143 B10R0.1 CCCC=NNC(=O)COC 4a_100000216845_100000185831 [0,2,0,0,0,0|2,0,0]=4 6144 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,2,0,0,0,0|1,0,0]=3 6145 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [0,2,0,0,0,0|2,0,0]=4 6146 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,2,0,0,0,0|2,0,0]=4 6147 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,2,0,0,0,0|2,0,0]=4 6148 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,2,0,0,0,0|2,0,0]=4 6149 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|1,0,0]=3 6150 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|1,0,0]=3 6151 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,2,0,0,0,0|2,0,0]=4 6152 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,2,0,0,0,0|2,0,0]=4 6153 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,2,0,0,0,0|2,0,0]=4 6154 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|2,0,0]=4 6155 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,2,0,0,0,0|2,0,0]=4 6156 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,2,0,0,0,0|2,0,0]=4 6157 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,2,0,0,0,0|2,0,0]=4 6158 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,2,0,0,0,0|2,0,0]=4 6159 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,2,0,0,0,0|1,0,0]=3 6160 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,2,0,0,0,0|1,0,0]=3 6161 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,2,0,0,0,0|1,0,0]=3 6162 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,2,0,0,0,0|1,0,0]=3 6163 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,2,0,0,0,0|2,0,0]=4 6164 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,2,0,0,0,0|2,0,0]=4 6165 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,2,0,0,0,0|2,0,0]=4 6166 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,2,0,0,0,0|2,0,0]=4 6167 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,2,0,0,0,0|2,0,0]=4 6168 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,2,0,0,0,0|2,0,0]=4 6169 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,2,0,0,0,0|2,0,0]=4 6170 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,2,0,0,0,0|2,0,0]=4 6171 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,2,0,0,0,0|2,0,0]=4 6172 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,2,0,0,0,0|2,0,0]=4 6173 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,2,0,0,0,0|2,0,0]=4 6174 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,2,0,0,0,0|2,0,0]=4 6175 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,2,0,0,0,0|2,0,0]=4 6176 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,2,0,0,0,0|2,0,0]=4 6177 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,2,0,0,0,0|2,0,0]=4 6178 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,2,0,0,0,0|2,0,0]=4 6179 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,2,0,0,0,0|2,0,0]=4 6180 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 6181 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 6182 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 6183 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 6184 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 6185 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 6186 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,2,0,0,0,0|1,0,1]=4 6187 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,2,0,0,0,0|1,0,1]=4 6188 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,2,0,0,0,0|1,0,1]=4 6189 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,2,0,0,0,0|1,0,1]=4 6190 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,2,0,0,0,0|1,0,0]=3 6191 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,2,0,0,0,0|1,0,0]=3 6192 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,2,0,0,0,0|2,0,0]=4 6193 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,2,0,0,0,0|2,0,0]=4 6194 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,2,0,0,0,0|2,0,0]=4 6195 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,2,0,0,0,0|2,0,0]=4 6196 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,2,0,0,0,0|2,0,0]=4 6197 B10R0.1 CCCCNN=C(C)CCC 4a_100025702795_100000211909 [0,2,0,0,0,0|2,0,0]=4 6198 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [0,2,0,0,0,0|1,0,0]=3 6199 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,2,0,0,0,0|2,0,0]=4 6200 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,2,0,0,0,0|2,0,0]=4 6201 B10R0.1 CCCCNNC(=O)CSC 22a_100025702795_100000184570 [0,2,0,0,0,0|2,0,0]=4 6202 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [0,2,0,0,0,0|2,0,0]=4 6203 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [0,2,0,0,0,0|2,0,0]=4 6204 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [0,2,0,0,0,0|2,0,0]=4 6205 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [0,2,0,0,0,0|1,0,1]=4 6206 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [0,2,0,0,0,0|1,0,1]=4 6207 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,2,0,0,0,0|0,0,0]=2 6208 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,2,0,0,0,0|0,0,0]=2 6209 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,2,0,0,0,0|0,0,0]=2 6210 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,2,0,0,0,0|1,0,0]=3 6211 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,2,0,0,0,0|1,0,0]=3 6212 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,2,0,0,0,0|1,0,0]=3 6213 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,2,0,0,0,0|1,0,0]=3 6214 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,2,0,0,0,0|1,0,0]=3 6215 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,2,0,0,0,0|1,0,0]=3 6216 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,2,0,0,0,0|1,0,0]=3 6217 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,2,0,0,0,0|1,0,0]=3 6218 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,2,0,0,0,0|1,0,0]=3 6219 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,2,0,0,0,0|1,0,0]=3 6220 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,2,0,0,0,0|2,0,0]=4 6221 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,2,0,0,0,0|2,0,0]=4 6222 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [0,2,0,0,0,0|2,0,0]=4 6223 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,2,0,0,0,0|1,0,0]=3 6224 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,2,0,0,0,0|1,0,0]=3 6225 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,2,0,0,0,0|1,0,1]=4 6226 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,2,0,0,0,0|1,0,1]=4 6227 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,2,0,0,0,0|1,0,1]=4 6228 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,2,0,0,0,0|1,0,1]=4 6229 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [0,2,0,0,0,0|2,0,0]=4 6230 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [0,2,0,0,0,0|2,0,0]=4 6231 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,2,0,0,0,0|1,0,1]=4 6232 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,2,0,0,0,0|0,1,0]=3 6233 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,2,0,0,0,0|0,1,0]=3 6234 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,2,0,0,0,0|0,1,0]=3 6235 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,2,0,0,0,0|1,1,0]=4 6236 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,2,0,0,0,0|1,1,0]=4 6237 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,2,0,0,0,0|1,1,0]=4 6238 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,2,0,0,0,0|1,1,0]=4 6239 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,2,0,0,0,0|1,1,0]=4 6240 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,2,0,0,0,0|1,1,0]=4 6241 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,2,0,0,0,0|1,1,0]=4 6242 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,2,0,0,0,0|1,1,0]=4 6243 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,2,0,0,0,0|1,1,0]=4 6244 B10R0.1 CCCN(C)COCCOC 2230a_100000747261_100000231047 [0,2,0,0,0,0|2,0,0]=4 6245 B10R0.1 CCCN(C)COCCOC 269982a_100000747261_100000231047 [0,2,0,0,0,0|2,0,0]=4 6246 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,2,0,0,0,0|2,0,0]=4 6247 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [0,2,0,0,0,0|2,0,0]=4 6248 B10R0.1 CCCOCCC(=O)CC#N 1458a_100051588842_100011215938 [0,2,0,0,0,0|1,0,1]=4 6249 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,2,0,0,0,0|0,0,0]=2 6250 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,2,0,0,0,0|1,0,0]=3 6251 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,2,0,0,0,0|1,0,0]=3 6252 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [0,2,0,0,0,0|1,0,0]=3 6253 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,2,0,0,0,0|1,0,0]=3 6254 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,2,0,0,0,0|1,0,1]=4 6255 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,2,0,0,0,0|1,0,1]=4 6256 B10R0.1 CCCOCCN(C)CCC 2230a_100000747261_100011215938 [0,2,0,0,0,0|2,0,0]=4 6257 B10R0.1 CCCOCCN(C)CCC 269982a_100000747261_100011215938 [0,2,0,0,0,0|2,0,0]=4 6258 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,2,0,0,0,0|1,0,1]=4 6259 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,2,0,0,0,0|0,0,0]=2 6260 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,2,0,0,0,0|1,1,0]=4 6261 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,2,0,0,0,0|1,1,0]=4 6262 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,2,0,0,0,0|1,1,0]=4 6263 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,2,0,0,0,0|1,1,0]=4 6264 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,2,0,0,0,0|0,0,0]=2 6265 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,2,0,0,0,0|1,0,0]=3 6266 B10R0.1 CCC[C@H](N)COCCCF 34a_100000732646_100011934791 [0,2,0,0,0,0|1,0,1]=4 6267 B10R0.1 CCC[C@H](N)COCCCO 34a_100000732646_100000230001 [0,2,0,0,0,0|1,0,1]=4 6268 B10R0.1 CCC[C@H](N)COCCOC 34a_100000732646_100011201679 [0,2,0,0,0,0|1,0,1]=4 6269 B10R0.1 CCC[C@H](N)COCCSC 34a_100000732646_100000212216 [0,2,0,0,0,0|1,0,1]=4 6270 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,2,0,0,0,0|2,0,0]=4 6271 B10R0.1 CCNC(=O)CCNCCF 34a_100025743525_100011217306 [0,2,0,0,0,0|2,0,0]=4 6272 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [0,2,0,0,0,0|2,0,0]=4 6273 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [0,2,0,0,0,0|2,0,0]=4 6274 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [0,2,0,0,0,0|2,0,0]=4 6275 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [0,2,0,0,0,0|2,0,0]=4 6276 B10R0.1 CCNC(=O)CCSCCF 62a_100000737597_100011217306 [0,2,0,0,0,0|2,0,0]=4 6277 B10R0.1 CCNC(=O)CCSCCF 62a_100011217306_100000737597 [0,2,0,0,0,0|2,0,0]=4 6278 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [0,2,0,0,0,0|2,0,0]=4 6279 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [0,2,0,0,0,0|2,0,0]=4 6280 B10R0.1 CCNC(=O)CCSCOC 62a_100000737597_100000766300 [0,2,0,0,0,0|2,0,0]=4 6281 B10R0.1 CCNC(=O)CCSCOC 62a_100000766300_100000737597 [0,2,0,0,0,0|2,0,0]=4 6282 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [0,2,0,0,0,0|2,0,0]=4 6283 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [0,2,0,0,0,0|2,0,0]=4 6284 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [0,2,0,0,0,0|2,0,0]=4 6285 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [0,2,0,0,0,0|2,0,0]=4 6286 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [0,2,0,0,0,0|2,0,0]=4 6287 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [0,2,0,0,0,0|2,0,0]=4 6288 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [0,2,0,0,0,0|2,0,0]=4 6289 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [0,2,0,0,0,0|2,0,0]=4 6290 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [0,2,0,0,0,0|2,0,0]=4 6291 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [0,2,0,0,0,0|2,0,0]=4 6292 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [0,2,0,0,0,0|1,0,0]=3 6293 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [0,2,0,0,0,0|1,0,0]=3 6294 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [0,2,0,0,0,0|1,0,0]=3 6295 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [0,2,0,0,0,0|1,0,0]=3 6296 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [0,2,0,0,0,0|1,0,0]=3 6297 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [0,2,0,0,0,0|1,0,0]=3 6298 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [0,2,0,0,0,0|1,0,0]=3 6299 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [0,2,0,0,0,0|1,0,0]=3 6300 B10R0.1 CCNC(=O)COCCON 34a_100000700252_100000183381 [0,2,0,0,0,0|2,0,0]=4 6301 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [0,2,0,0,0,0|1,0,0]=3 6302 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [0,2,0,0,0,0|1,0,0]=3 6303 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [0,2,0,0,0,0|1,1,0]=4 6304 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [0,2,0,0,0,0|1,1,0]=4 6305 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [0,2,0,0,0,0|1,1,0]=4 6306 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [0,2,0,0,0,0|1,1,0]=4 6307 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [0,2,0,0,0,0|1,1,0]=4 6308 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [0,2,0,0,0,0|1,1,0]=4 6309 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [0,2,0,0,0,0|1,1,0]=4 6310 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [0,2,0,0,0,0|1,1,0]=4 6311 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [0,2,0,0,0,0|1,1,0]=4 6312 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [0,2,0,0,0,0|1,1,0]=4 6313 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,2,0,0,0,0|2,0,0]=4 6314 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,2,0,0,0,0|2,0,0]=4 6315 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,2,0,0,0,0|2,0,0]=4 6316 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,2,0,0,0,0|2,0,0]=4 6317 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,2,0,0,0,0|2,0,0]=4 6318 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,2,0,0,0,0|2,0,0]=4 6319 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [0,2,0,0,0,0|2,0,0]=4 6320 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [0,2,0,0,0,0|2,0,0]=4 6321 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [0,2,0,0,0,0|2,0,0]=4 6322 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [0,2,0,0,0,0|2,0,0]=4 6323 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [0,2,0,0,0,0|2,0,0]=4 6324 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [0,2,0,0,0,0|2,0,0]=4 6325 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [0,2,0,0,0,0|2,0,0]=4 6326 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [0,2,0,0,0,0|2,0,0]=4 6327 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [0,2,0,0,0,0|2,0,0]=4 6328 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [0,2,0,0,0,0|2,0,0]=4 6329 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [0,2,0,0,0,0|2,0,0]=4 6330 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [0,2,0,0,0,0|2,0,0]=4 6331 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [0,2,0,0,0,0|2,0,0]=4 6332 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [0,2,0,0,0,0|2,0,0]=4 6333 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [0,2,0,0,0,0|2,0,0]=4 6334 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [0,2,0,0,0,0|2,0,0]=4 6335 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [0,2,0,0,0,0|2,0,0]=4 6336 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [0,2,0,0,0,0|2,0,0]=4 6337 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [0,2,0,0,0,0|2,0,0]=4 6338 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [0,2,0,0,0,0|2,0,0]=4 6339 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [0,2,0,0,0,0|2,0,0]=4 6340 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [0,2,0,0,0,0|2,0,0]=4 6341 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [0,2,0,0,0,0|2,0,0]=4 6342 B10R0.1 CCNC(=O)NNCCOC 273464a_100015525214_100000741390 [0,2,0,0,0,0|2,0,0]=4 6343 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [0,2,0,0,0,0|2,0,0]=4 6344 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,2,0,0,0,0|2,0,0]=4 6345 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [0,2,0,0,0,0|2,0,0]=4 6346 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [0,2,0,0,0,0|2,0,0]=4 6347 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,2,0,0,0,0|2,0,0]=4 6348 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,2,0,0,0,0|2,0,0]=4 6349 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,2,0,0,0,0|2,0,0]=4 6350 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|2,0,0]=4 6351 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,2,0,0,0,0|2,0,0]=4 6352 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,2,0,0,0,0|2,0,0]=4 6353 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,2,0,0,0,0|2,0,0]=4 6354 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,2,0,0,0,0|2,0,0]=4 6355 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,2,0,0,0,0|2,0,0]=4 6356 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,2,0,0,0,0|2,0,0]=4 6357 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,2,0,0,0,0|2,0,0]=4 6358 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,2,0,0,0,0|2,0,0]=4 6359 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,2,0,0,0,0|2,0,0]=4 6360 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,2,0,0,0,0|2,0,0]=4 6361 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,2,0,0,0,0|2,0,0]=4 6362 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,2,0,0,0,0|2,0,0]=4 6363 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,2,0,0,0,0|2,0,0]=4 6364 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,2,0,0,0,0|2,0,0]=4 6365 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,2,0,0,0,0|2,0,0]=4 6366 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,2,0,0,0,0|2,0,0]=4 6367 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,2,0,0,0,0|2,0,0]=4 6368 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,2,0,0,0,0|2,0,0]=4 6369 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [0,2,0,0,0,0|2,0,0]=4 6370 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [0,2,0,0,0,0|2,0,0]=4 6371 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,2,0,0,0,0|2,0,0]=4 6372 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,2,0,0,0,0|2,0,0]=4 6373 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,2,0,0,0,0|2,0,0]=4 6374 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,2,0,0,0,0|2,0,0]=4 6375 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,2,0,0,0,0|2,0,0]=4 6376 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,2,0,0,0,0|2,0,0]=4 6377 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,2,0,0,0,0|1,0,0]=3 6378 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,2,0,0,0,0|1,0,0]=3 6379 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,2,0,0,0,0|1,0,0]=3 6380 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,2,0,0,0,0|1,0,0]=3 6381 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,2,0,0,0,0|1,0,0]=3 6382 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,2,0,0,0,0|1,0,0]=3 6383 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,2,0,0,0,0|1,0,0]=3 6384 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,2,0,0,0,0|1,0,0]=3 6385 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,2,0,0,0,0|1,0,0]=3 6386 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [0,2,0,0,0,0|2,0,0]=4 6387 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,2,0,0,0,0|1,0,0]=3 6388 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,2,0,0,0,0|1,0,0]=3 6389 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,2,0,0,0,0|1,0,0]=3 6390 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,2,0,0,0,0|1,0,0]=3 6391 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,2,0,0,0,0|1,0,0]=3 6392 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,2,0,0,0,0|1,0,0]=3 6393 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,2,0,0,0,0|1,1,0]=4 6394 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,2,0,0,0,0|1,1,0]=4 6395 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,2,0,0,0,0|1,1,0]=4 6396 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,2,0,0,0,0|1,1,0]=4 6397 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,2,0,0,0,0|1,1,0]=4 6398 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,2,0,0,0,0|1,1,0]=4 6399 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,2,0,0,0,0|1,1,0]=4 6400 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,2,0,0,0,0|1,1,0]=4 6401 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,2,0,0,0,0|1,1,0]=4 6402 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,2,0,0,0,0|1,1,0]=4 6403 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [0,2,0,0,0,0|2,0,0]=4 6404 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,2,0,0,0,0|2,0,0]=4 6405 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [0,2,0,0,0,0|2,0,0]=4 6406 B10R0.1 CCOC(=O)OCSCC#N 62a_100011215382_100000075025 [0,2,0,0,0,0|1,0,1]=4 6407 B10R0.1 CCOC(=O)OCSCC=O 62a_200015260668_100000075025 [0,2,0,0,0,0|1,0,1]=4 6408 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [0,2,0,0,0,0|1,0,0]=3 6409 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [0,2,0,0,0,0|1,0,0]=3 6410 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,2,0,0,0,0|1,0,0]=3 6411 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,2,0,0,0,0|1,0,0]=3 6412 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [0,2,0,0,0,0|2,0,0]=4 6413 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,2,0,0,0,0|2,0,0]=4 6414 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,2,0,0,0,0|2,0,0]=4 6415 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [0,2,0,0,0,0|2,0,0]=4 6416 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,2,0,0,0,0|2,0,0]=4 6417 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,2,0,0,0,0|2,0,0]=4 6418 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [0,2,0,0,0,0|2,0,0]=4 6419 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,2,0,0,0,0|2,0,0]=4 6420 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,2,0,0,0,0|2,0,0]=4 6421 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,2,0,0,0,0|2,0,0]=4 6422 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,2,0,0,0,0|2,0,0]=4 6423 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [0,2,0,0,0,0|2,0,0]=4 6424 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [0,2,0,0,0,0|2,0,0]=4 6425 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [0,2,0,0,0,0|2,0,0]=4 6426 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [0,2,0,0,0,0|2,0,0]=4 6427 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,2,0,0,0,0|2,0,0]=4 6428 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [0,2,0,0,0,0|1,0,0]=3 6429 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [0,2,0,0,0,0|1,0,0]=3 6430 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [0,2,0,0,0,0|1,0,0]=3 6431 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,2,0,0,0,0|1,0,0]=3 6432 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [0,2,0,0,0,0|1,0,0]=3 6433 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [0,2,0,0,0,0|1,0,0]=3 6434 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [0,2,0,0,0,0|1,0,0]=3 6435 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [0,2,0,0,0,0|1,0,0]=3 6436 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [0,2,0,0,0,0|1,1,0]=4 6437 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [0,2,0,0,0,0|1,1,0]=4 6438 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,2,0,0,0,0|2,0,0]=4 6439 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 6440 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 6441 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 6442 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 6443 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [0,2,0,0,0,0|2,0,0]=4 6444 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [0,2,0,0,0,0|2,0,0]=4 6445 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [0,2,0,0,0,0|2,0,0]=4 6446 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [0,2,0,0,0,0|2,0,0]=4 6447 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [0,2,0,0,0,0|2,0,0]=4 6448 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [0,2,0,0,0,0|2,0,0]=4 6449 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [0,2,0,0,0,0|2,0,0]=4 6450 B10R0.1 CNNC(=O)COCCOC 22a_100016993582_100000211095 [0,2,0,0,0,0|2,0,0]=4 6451 B10R0.1 COCC(=O)CCCCC#N 1458a_100000210968_100000211819 [0,2,0,0,0,0|2,0,0]=4 6452 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,2,0,0,0,0|2,0,0]=4 6453 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,2,0,0,0,0|2,0,0]=4 6454 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [0,2,0,0,0,0|2,0,0]=4 6455 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,2,0,0,0,0|2,0,0]=4 6456 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,2,0,0,0,0|2,0,0]=4 6457 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 6458 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 6459 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 6460 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 6461 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,2,0,0,0,0|2,0,0]=4 6462 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,2,0,0,0,0|2,0,0]=4 6463 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,2,0,0,0,0|2,0,0]=4 6464 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,2,0,0,0,0|2,0,0]=4 6465 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,2,0,0,0,0|2,0,0]=4 6466 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,2,0,0,0,0|2,0,0]=4 6467 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,2,0,0,0,0|2,0,0]=4 6468 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,2,0,0,0,0|2,0,0]=4 6469 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [0,2,0,0,0,0|2,0,0]=4 6470 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [0,2,0,0,0,0|2,0,0]=4 6471 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [0,2,0,0,0,0|2,0,0]=4 6472 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [0,2,0,0,0,0|2,0,0]=4 6473 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [0,2,0,0,0,0|2,0,0]=4 6474 B10R0.1 COCCNNC(=O)CCO 22a_100000741390_100011216618 [0,2,0,0,0,0|2,0,0]=4 6475 B10R0.1 COCCNNC(=O)COC 22a_100000741390_100000210968 [0,2,0,0,0,0|2,0,0]=4 6476 B10R0.1 COCCNNC(=O)CSC 22a_100000741390_100000184570 [0,2,0,0,0,0|2,0,0]=4 6477 B10R0.1 COCCOCC(=O)CC#N 1458a_100000211095_100011214920 [0,2,0,0,0,0|1,0,1]=4 6478 B10R0.1 COCCOCC(=O)CCF 1458a_100000211095_100011217306 [0,2,0,0,0,0|1,0,0]=3 6479 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,2,0,0,0,0|1,0,0]=3 6480 B10R0.1 COCCOCC(=O)NCO 34a_100000210237_100000185155 [0,2,0,0,0,0|2,0,0]=4 6481 B10R0.1 CSCC(=O)CCCCC#N 1458a_100000184570_100000211819 [0,2,0,0,0,0|2,0,0]=4 6482 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,2,0,0,0,0|2,0,0]=4 6483 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,2,0,0,0,0|2,0,0]=4 6484 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [0,2,0,0,0,0|2,0,0]=4 6485 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [0,2,0,0,0,0|2,0,0]=4 6486 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [0,2,0,0,0,0|2,0,0]=4 6487 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,2,0,0,0,0|2,0,0]=4 6488 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [0,2,0,0,0,0|2,0,0]=4 6489 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [0,2,0,0,0,0|2,0,0]=4 6490 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [0,2,0,0,0,0|2,0,0]=4 6491 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [0,2,0,0,0,0|2,0,0]=4 6492 B10R0.1 CSCCOCC(=O)NCO 34a_100000230434_100000185155 [0,2,0,0,0,0|2,0,0]=4 6493 B10R0.1 CSCCOCC(=O)NCO 7a_100000230434_100000185155 [0,2,0,0,0,0|2,0,0]=4 6494 B10R0.1 N#CCCCCC(=O)CCO 1458a_100011216618_100000211819 [0,2,0,0,0,0|2,0,0]=4 6495 B10R0.1 NCCCOCC(=O)NCO 34a_100000182051_100000185155 [0,2,0,0,0,0|2,0,0]=4 6496 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,2,0,0,0,0|2,0,0]=4 6497 B10R0.1 O=C(CCF)CCOCCO 1458a_100011229844_100011217306 [0,2,0,0,0,0|2,0,0]=4 6498 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,2,0,0,0,0|2,0,0]=4 6499 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,2,0,0,0,0|2,0,0]=4 6500 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,2,0,0,0,0|2,0,0]=4 6501 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [0,2,0,0,0,0|2,0,0]=4 6502 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [0,2,0,0,0,0|2,0,0]=4 6503 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,2,0,0,0,0|2,0,0]=4 6504 B10R0.1 O=C(COCCCBr)NCO 34a_100011217188_100000185155 [0,2,0,0,0,0|2,0,0]=4 6505 B10R0.1 O=C(COCCCCl)NCO 34a_100000230001_100000185155 [0,2,0,0,0,0|2,0,0]=4 6506 B10R0.1 O=C(COCCCF)NCO 34a_100000759539_100000185155 [0,2,0,0,0,0|2,0,0]=4 6507 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,2,0,0,0,0|1,0,0]=3 6508 B10R0.2 C=C(CCC)CC(=O)CCF 1458a_100000138376_100011217306 [0,2,0,0,0,0|2,0,0]=4 6509 B10R0.2 C=C(CCC)CC(=O)CCO 1458a_100000138376_100000211926 [0,2,0,0,0,0|2,0,0]=4 6510 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [0,2,0,0,0,0|2,0,0]=4 6511 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [0,2,0,0,0,0|2,0,0]=4 6512 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [0,2,0,0,0,0|2,0,0]=4 6513 B10R0.2 CCCC(=CC(=O)CCF)C 1458a_100020676950_100011217306 [0,2,0,0,0,0|2,0,0]=4 6514 B10R0.2 CCCC(=CC(=O)CCO)C 1458a_100020676950_100000211926 [0,2,0,0,0,0|2,0,0]=4 6515 B10R0.2 CCCC(=CC(=O)NCC)C 11a_100015525214_100020676950 [0,2,0,0,0,0|2,0,0]=4 6516 B10R0.2 CCCC(=CC(=O)NCC)C 240690a_100015525214_100020676950 [0,2,0,0,0,0|2,0,0]=4 6517 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [0,2,0,0,0,0|1,0,0]=3 6518 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,2,0,0,0,0|1,0,0]=3 6519 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [0,2,0,0,0,0|1,0,1]=4 6520 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,2,0,0,0,0|1,0,1]=4 6521 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,2,0,0,0,0|1,0,1]=4 6522 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [0,2,0,0,0,0|1,0,1]=4 6523 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,2,0,0,0,0|1,0,1]=4 6524 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,2,0,0,0,0|1,0,1]=4 6525 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,2,0,0,0,0|1,0,0]=3 6526 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,2,0,0,0,0|1,0,0]=3 6527 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,2,0,0,0,0|1,0,0]=3 6528 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,2,0,0,0,0|1,0,0]=3 6529 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,2,0,0,0,0|1,0,0]=3 6530 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [0,2,0,0,0,0|2,0,0]=4 6531 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [0,2,0,0,0,0|2,0,0]=4 6532 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [0,2,0,0,0,0|0,1,0]=3 6533 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [0,2,0,0,0,0|1,0,0]=3 6534 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [0,2,0,0,0,0|1,0,0]=3 6535 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [0,2,0,0,0,0|1,0,0]=3 6536 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [0,2,0,0,0,0|1,0,0]=3 6537 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 11a_100016994482_100000211992 [0,2,0,0,0,0|1,0,1]=4 6538 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000211992 [0,2,0,0,0,0|1,0,1]=4 6539 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000211992 [0,2,0,0,0,0|1,0,1]=4 6540 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 527a_100016994482_100000211992 [0,2,0,0,0,0|1,0,1]=4 6541 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [0,2,0,0,0,0|1,0,0]=3 6542 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [0,2,0,0,0,0|1,0,0]=3 6543 B10R0.2 CCCC(=O)N[C@H](C)COC 11a_100000764878_100000211992 [0,2,0,0,0,0|1,0,0]=3 6544 B10R0.2 CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211992 [0,2,0,0,0,0|1,0,0]=3 6545 B10R0.2 CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211992 [0,2,0,0,0,0|1,0,0]=3 6546 B10R0.2 CCCC(=O)N[C@H](C)COC 527a_100000764878_100000211992 [0,2,0,0,0,0|1,0,0]=3 6547 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,2,0,0,0,0|2,0,0]=4 6548 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,2,0,0,0,0|2,0,0]=4 6549 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,2,0,0,0,0|2,0,0]=4 6550 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,2,0,0,0,0|2,0,0]=4 6551 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,2,0,0,0,0|2,0,0]=4 6552 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,2,0,0,0,0|2,0,0]=4 6553 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,2,0,0,0,0|2,0,0]=4 6554 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,2,0,0,0,0|2,0,0]=4 6555 B10R0.2 CCCC(C)NC(=O)CCO 240690a_100000741246_100011216618 [0,2,0,0,0,0|2,0,0]=4 6556 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [0,2,0,0,0,0|2,0,0]=4 6557 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [0,2,0,0,0,0|2,0,0]=4 6558 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [0,2,0,0,0,0|2,0,0]=4 6559 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [0,2,0,0,0,0|2,0,0]=4 6560 B10R0.2 CCCC(C)NC(=O)CSC 11a_100000741246_100000184570 [0,2,0,0,0,0|2,0,0]=4 6561 B10R0.2 CCCC(C)NC(=O)CSC 1626a_100000741246_100000184570 [0,2,0,0,0,0|2,0,0]=4 6562 B10R0.2 CCCC(C)NC(=O)CSC 240690a_100000741246_100000184570 [0,2,0,0,0,0|2,0,0]=4 6563 B10R0.2 CCCC(C)NC(=O)CSC 527a_100000741246_100000184570 [0,2,0,0,0,0|2,0,0]=4 6564 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [0,2,0,0,0,0|2,0,0]=4 6565 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [0,2,0,0,0,0|2,0,0]=4 6566 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [0,2,0,0,0,0|2,0,0]=4 6567 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [0,2,0,0,0,0|2,0,0]=4 6568 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [0,2,0,0,0,0|2,0,0]=4 6569 B10R0.2 CCCC(C)OC(C)CCBr 34a_100012276601_100000766640 [0,2,0,0,0,0|1,0,1]=4 6570 B10R0.2 CCCC(C)OC(C)CCC 34a_100000764384_100000766640 [0,2,0,0,0,0|1,0,1]=4 6571 B10R0.2 CCCC(C)OC(C)CCC 7a_100000764384_100000766640 [0,2,0,0,0,0|1,0,1]=4 6572 B10R0.2 CCCC(C)OC(C)CCO 34a_100000764384_100009893172 [0,2,0,0,0,0|1,0,1]=4 6573 B10R0.2 CCCC(C)OC(C)CCO 7a_100000764384_100009893172 [0,2,0,0,0,0|1,0,1]=4 6574 B10R0.2 CCCC(C)OC(C)COC 34a_100000764384_100000765312 [0,2,0,0,0,0|1,0,1]=4 6575 B10R0.2 CCCC(C)OC(C)COC 7a_100000764384_100000765312 [0,2,0,0,0,0|1,0,1]=4 6576 B10R0.2 CCCC(C)O[C@H](C)COC 34a_100011934205_100000766640 [0,2,0,0,0,0|1,0,1]=4 6577 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [0,2,0,0,0,0|2,0,0]=4 6578 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [0,2,0,0,0,0|2,0,0]=4 6579 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [0,2,0,0,0,0|2,0,0]=4 6580 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [0,2,0,0,0,0|2,0,0]=4 6581 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,2,0,0,0,0|2,0,0]=4 6582 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,2,0,0,0,0|2,0,0]=4 6583 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,2,0,0,0,0|2,0,0]=4 6584 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,2,0,0,0,0|2,0,0]=4 6585 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,2,0,0,0,0|2,0,0]=4 6586 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,2,0,0,0,0|2,0,0]=4 6587 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,2,0,0,0,0|2,0,0]=4 6588 B10R0.2 CCCS(=O)CC(=O)CCF 1458a_100011387404_100011217306 [0,2,0,0,0,0|1,1,0]=4 6589 B10R0.2 CCCS(=O)CC(=O)CCO 1458a_100011387404_100000211926 [0,2,0,0,0,0|1,1,0]=4 6590 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [0,2,0,0,0,0|1,1,0]=4 6591 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [0,2,0,0,0,0|1,1,0]=4 6592 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [0,2,0,0,0,0|1,1,0]=4 6593 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [0,2,0,0,0,0|2,0,0]=4 6594 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [0,2,0,0,0,0|2,0,0]=4 6595 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [0,2,0,0,0,0|2,0,0]=4 6596 B10R0.2 CCNC(=O)N[C@H](C)CCO 2708a_100015525214_100000706166 [0,2,0,0,0,0|2,0,0]=4 6597 B10R0.2 CCNC(=O)N[C@H](C)CCO 273464a_100000706166_100015525214 [0,2,0,0,0,0|2,0,0]=4 6598 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100000706166_100015525214 [0,2,0,0,0,0|2,0,0]=4 6599 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100015525214_100000706166 [0,2,0,0,0,0|2,0,0]=4 6600 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100000764878_100015525214 [0,2,0,0,0,0|2,0,0]=4 6601 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100015525214_100000764878 [0,2,0,0,0,0|2,0,0]=4 6602 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100000764878_100015525214 [0,2,0,0,0,0|2,0,0]=4 6603 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100015525214_100000764878 [0,2,0,0,0,0|2,0,0]=4 6604 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100000764878_100015525214 [0,2,0,0,0,0|2,0,0]=4 6605 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100015525214_100000764878 [0,2,0,0,0,0|2,0,0]=4 6606 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,2,0,0,0,0|2,0,0]=4 6607 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,2,0,0,0,0|2,0,0]=4 6608 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,2,0,0,0,0|2,0,0]=4 6609 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,2,0,0,0,0|2,0,0]=4 6610 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,2,0,0,0,0|2,0,0]=4 6611 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,2,0,0,0,0|2,0,0]=4 6612 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,2,0,0,0,0|2,0,0]=4 6613 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,2,0,0,0,0|2,0,0]=4 6614 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,2,0,0,0,0|2,0,0]=4 6615 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,2,0,0,0,0|2,0,0]=4 6616 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,2,0,0,0,0|2,0,0]=4 6617 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [0,2,0,0,0,0|1,0,0]=3 6618 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [0,2,0,0,0,0|1,0,0]=3 6619 B10R0.2 CCOC(=O)OC(C)SCF 62a_100000036008_100015361967 [0,2,0,0,0,0|2,0,0]=4 6620 B10R0.2 CCOC(=O)OC(C)SCF 62a_100015361967_100000036008 [0,2,0,0,0,0|2,0,0]=4 6621 B10R0.2 CCSC(C)CC(=O)CCF 1458a_200011311441_100011217306 [0,2,0,0,0,0|2,0,0]=4 6622 B10R0.2 CCSC(C)CC(=O)CCO 1458a_200011311441_100000211926 [0,2,0,0,0,0|2,0,0]=4 6623 B10R0.2 COCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210968 [0,2,0,0,0,0|2,0,0]=4 6624 B10R0.2 COCC(=O)N[C@H](C)CCO 527a_100000706166_100000210968 [0,2,0,0,0,0|2,0,0]=4 6625 B10R0.2 COCC(=O)N[C@H](C)COC 11a_100000764878_100000210968 [0,2,0,0,0,0|2,0,0]=4 6626 B10R0.2 COCC(=O)N[C@H](C)COC 1626a_100000764878_100000210968 [0,2,0,0,0,0|2,0,0]=4 6627 B10R0.2 COCC(=O)N[C@H](C)COC 240690a_100000764878_100000210968 [0,2,0,0,0,0|2,0,0]=4 6628 B10R0.2 COCC(=O)N[C@H](C)COC 527a_100000764878_100000210968 [0,2,0,0,0,0|2,0,0]=4 6629 B10R0.2 COC[C@@H](C)NC(=O)CCO 240690a_100000764878_100011216618 [0,2,0,0,0,0|2,0,0]=4 6630 B10R0.2 COC[C@@H](C)NC(=O)CSC 11a_100000764878_100000184570 [0,2,0,0,0,0|2,0,0]=4 6631 B10R0.2 COC[C@@H](C)NC(=O)CSC 1626a_100000764878_100000184570 [0,2,0,0,0,0|2,0,0]=4 6632 B10R0.2 COC[C@@H](C)NC(=O)CSC 240690a_100000764878_100000184570 [0,2,0,0,0,0|2,0,0]=4 6633 B10R0.2 COC[C@@H](C)NC(=O)CSC 527a_100000764878_100000184570 [0,2,0,0,0,0|2,0,0]=4 6634 B10R0.2 CSCC(=O)N[C@H](C)CCO 240690a_100000706166_100000184570 [0,2,0,0,0,0|2,0,0]=4 6635 B10R0.2 CSCC(=O)N[C@H](C)CCO 527a_100000706166_100000184570 [0,2,0,0,0,0|2,0,0]=4 6636 B10R0.2 C[C@H](CCO)NC(=O)CCO 240690a_100000706166_100011216618 [0,2,0,0,0,0|2,0,0]=4 6637 B10R0.3 C#CCC(=O)COCC(C)C 1458a_100011223364_100000184674 [0,2,0,0,0,0|0,0,2]=4 6638 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764384_100000730704 [0,2,0,0,0,0|1,0,1]=4 6639 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764851_100000766640 [0,2,0,0,0,0|1,0,1]=4 6640 B10R0.3 C=C(C)CCOC(C)CCC 7a_100000764384_100000730704 [0,2,0,0,0,0|1,0,1]=4 6641 B10R0.3 C=C(C)CNNC(=O)CCC 22a_100000729518_100000211992 [0,2,0,0,0,0|1,0,1]=4 6642 B10R0.3 C=C(C)COCC(=O)NCC 34a_100000210245_100000183381 [0,2,0,0,0,0|1,0,1]=4 6643 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,2,0,0,0,0|1,0,1]=4 6644 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000747444_100000211660 [0,2,0,0,0,0|0,1,1]=4 6645 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000748629_100000747444 [0,2,0,0,0,0|0,1,1]=4 6646 B10R0.3 C=CCC(=O)COCC(C)C 1458a_100011223364_100000210623 [0,2,0,0,0,0|0,0,2]=4 6647 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,2,0,0,0,0|2,0,0]=4 6648 B10R0.3 CC(Br)COCC(=O)NCO 34a_100012180447_100000185155 [0,2,0,0,0,0|2,0,0]=4 6649 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,2,0,0,0,0|2,0,0]=4 6650 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,2,0,0,0,0|2,0,0]=4 6651 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,2,0,0,0,0|2,0,0]=4 6652 B10R0.3 CC(C)CCNC(=O)CCO 240690a_100000210545_100011216618 [0,2,0,0,0,0|2,0,0]=4 6653 B10R0.3 CC(C)CNNC(=O)CCO 22a_100000696102_100011216618 [0,2,0,0,0,0|2,0,0]=4 6654 B10R0.3 CC(C)COCC(=O)CC#N 1458a_100011223364_100011214920 [0,2,0,0,0,0|1,0,1]=4 6655 B10R0.3 CC(C)COCC(=O)CCF 1458a_100011223364_100011217306 [0,2,0,0,0,0|1,0,0]=3 6656 B10R0.3 CC(C)COCC(=O)CCO 1458a_100011223364_100000211926 [0,2,0,0,0,0|1,0,0]=3 6657 B10R0.3 CC(C)COCC(=O)NCO 34a_100000210257_100000185155 [0,2,0,0,0,0|2,0,0]=4 6658 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [0,2,0,0,0,0|2,0,0]=4 6659 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [0,2,0,0,0,0|2,0,0]=4 6660 B10R0.3 CC(F)COCC(=O)NCO 34a_100015925927_100000185155 [0,2,0,0,0,0|2,0,0]=4 6661 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,2,0,0,0,0|2,0,0]=4 6662 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,2,0,0,0,0|2,0,0]=4 6663 B10R0.3 CC(O)CNNC(=O)CCO 22a_200000730056_100011216618 [0,2,0,0,0,0|2,0,0]=4 6664 B10R0.3 CCCC(=NNCC(C)O)C 4a_200000730056_100000211909 [0,2,0,0,0,0|2,0,0]=4 6665 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [0,2,0,0,0,0|1,0,1]=4 6666 B10R0.3 CCCC(=O)C=CCN(C)C 1458a_100000754359_100000210303 [0,2,0,0,0,0|1,0,1]=4 6667 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,2,0,0,0,0|1,0,1]=4 6668 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,2,0,0,0,0|1,0,0]=3 6669 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,2,0,0,0,0|1,0,1]=4 6670 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,2,0,0,0,0|1,0,0]=3 6671 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,2,0,0,0,0|1,0,0]=3 6672 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,2,0,0,0,0|1,0,0]=3 6673 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,2,0,0,0,0|1,0,0]=3 6674 B10R0.3 CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210303 [0,2,0,0,0,0|2,0,0]=4 6675 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,2,0,0,0,0|1,0,1]=4 6676 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,2,0,0,0,0|1,0,1]=4 6677 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,2,0,0,0,0|1,0,1]=4 6678 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,2,0,0,0,0|1,0,0]=3 6679 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,2,0,0,0,0|1,0,1]=4 6680 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,2,0,0,0,0|1,0,0]=3 6681 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,2,0,0,0,0|1,0,0]=3 6682 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,2,0,0,0,0|1,0,0]=3 6683 B10R0.3 CCCC(=O)COCC(=O)N 1458a_100011219004_100000210303 [0,2,0,0,0,0|1,0,1]=4 6684 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,2,0,0,0,0|0,0,0]=2 6685 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,2,0,0,0,0|0,1,0]=3 6686 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,2,0,0,0,0|0,1,0]=3 6687 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,2,0,0,0,0|0,1,0]=3 6688 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,2,0,0,0,0|0,1,0]=3 6689 B10R0.3 CCCC(=O)CSCC(F)F 62a_100000747444_100011934356 [0,2,0,0,0,0|1,1,0]=4 6690 B10R0.3 CCCC(=O)CSCC(F)F 62a_100011934356_100000747444 [0,2,0,0,0,0|1,1,0]=4 6691 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,2,0,0,0,0|0,1,0]=3 6692 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,2,0,0,0,0|0,1,0]=3 6693 B10R0.3 CCCC(=O)NCC=C(C)C 11a_100000718196_100000211992 [0,2,0,0,0,0|1,0,1]=4 6694 B10R0.3 CCCC(=O)NCC=C(C)C 1626a_100000718196_100000211992 [0,2,0,0,0,0|1,0,1]=4 6695 B10R0.3 CCCC(=O)NCC=C(C)C 527a_100000718196_100000211992 [0,2,0,0,0,0|1,0,1]=4 6696 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [0,2,0,0,0,0|1,0,1]=4 6697 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [0,2,0,0,0,0|1,0,1]=4 6698 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [0,2,0,0,0,0|1,0,1]=4 6699 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,2,0,0,0,0|1,0,0]=3 6700 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,2,0,0,0,0|1,0,0]=3 6701 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,2,0,0,0,0|1,0,0]=3 6702 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,2,0,0,0,0|1,0,0]=3 6703 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,2,0,0,0,0|1,0,0]=3 6704 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,2,0,0,0,0|1,0,0]=3 6705 B10R0.3 CCCC(=O)NCCN(C)C 240690a_100000210585_100000211992 [0,2,0,0,0,0|1,0,0]=3 6706 B10R0.3 CCCC(=O)NCCN(C)C 527a_100000210585_100000211992 [0,2,0,0,0,0|1,0,0]=3 6707 B10R0.3 CCCC(=O)NN=CC(C)C 4a_100000189770_100000210432 [0,2,0,0,0,0|1,0,1]=4 6708 B10R0.3 CCCC(=O)NNCC(C)C 22a_100000696102_100000211992 [0,2,0,0,0,0|1,0,0]=3 6709 B10R0.3 CCCC(=O)NNCC(C)O 22a_200000730056_100000211992 [0,2,0,0,0,0|1,0,0]=3 6710 B10R0.3 CCCC(=O)OCNC(C)C 2230a_100138425928_100000034017 [0,2,0,0,0,0|0,0,0]=2 6711 B10R0.3 CCCC(=O)OCNC(C)C 34a_100138425928_100000034017 [0,2,0,0,0,0|0,0,0]=2 6712 B10R0.3 CCCC(=O)OCOC(C)C 34a_100000212225_100000034017 [0,2,0,0,0,0|0,0,0]=2 6713 B10R0.3 CCCC(=O)OCSC(C)C 62a_100000210206_100000034017 [0,2,0,0,0,0|0,0,0]=2 6714 B10R0.3 CCCC(C)COCC(C)Br 34a_100012180447_100011216630 [0,2,0,0,0,0|1,0,1]=4 6715 B10R0.3 CCCC(C)COCC(C)C 34a_100000210257_100011216630 [0,2,0,0,0,0|1,0,1]=4 6716 B10R0.3 CCCC(C)COCC(C)C 34a_100000688023_100000210624 [0,2,0,0,0,0|1,0,1]=4 6717 B10R0.3 CCCC(C)COCC(C)C 7a_100000688023_100000210760 [0,2,0,0,0,0|1,0,1]=4 6718 B10R0.3 CCCC(C)COCC(C)F 34a_100015925927_100011216630 [0,2,0,0,0,0|1,0,1]=4 6719 B10R0.3 CCCC(C)COCC(C)O 34a_100000688023_100011218427 [0,2,0,0,0,0|1,0,1]=4 6720 B10R0.3 CCCC(C)COCC(C)O 7a_100000688023_100011218427 [0,2,0,0,0,0|1,0,1]=4 6721 B10R0.3 CCCC(C)COC[C@@H](C)Cl 34a_100016084084_100011216630 [0,2,0,0,0,0|1,0,1]=4 6722 B10R0.3 CCCC(C)COC[C@@H](C)N 34a_100000737577_100011216630 [0,2,0,0,0,0|1,0,1]=4 6723 B10R0.3 CCCC(C)COC[C@@H](C)O 34a_100000688023_100009817552 [0,2,0,0,0,0|1,0,1]=4 6724 B10R0.3 CCCC(C)COC[C@@H](C)O 7a_100000688023_100009817552 [0,2,0,0,0,0|1,0,1]=4 6725 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,2,0,0,0,0|1,0,1]=4 6726 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,2,0,0,0,0|1,0,1]=4 6727 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,2,0,0,0,0|1,0,1]=4 6728 B10R0.3 CCCC(C)OCCC(C)Br 34a_100009893172_100000766640 [0,2,0,0,0,0|1,0,1]=4 6729 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [0,2,0,0,0,0|1,0,1]=4 6730 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [0,2,0,0,0,0|1,0,1]=4 6731 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [0,2,0,0,0,0|1,0,1]=4 6732 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [0,2,0,0,0,0|1,0,1]=4 6733 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [0,2,0,0,0,0|1,0,1]=4 6734 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [0,2,0,0,0,0|1,0,1]=4 6735 B10R0.3 CCCC(C)OCCC(F)F 34a_100103093639_100000766640 [0,2,0,0,0,0|1,0,1]=4 6736 B10R0.3 CCCC(C)OCCN(C)C 7a_100000764384_100000755713 [0,2,0,0,0,0|1,0,1]=4 6737 B10R0.3 CCCC(C)OCC[C@@H](C)N 34a_100000706166_100000766640 [0,2,0,0,0,0|1,0,1]=4 6738 B10R0.3 CCCC(C)OCOC(C)C 34a_100000764384_100000709892 [0,2,0,0,0,0|1,0,1]=4 6739 B10R0.3 CCC[C@H](N)COCC(C)C 34a_100000732646_100000210624 [0,2,0,0,0,0|1,0,1]=4 6740 B10R0.3 CCC[C@H](N)COCC(C)O 34a_100000732646_100011218427 [0,2,0,0,0,0|1,0,1]=4 6741 B10R0.3 CCC[C@H](N)COC[C@@H](C)O 34a_100000732646_100009817552 [0,2,0,0,0,0|1,0,1]=4 6742 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,2,0,0,0,0|2,0,0]=4 6743 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,2,0,0,0,0|2,0,0]=4 6744 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,2,0,0,0,0|2,0,0]=4 6745 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,2,0,0,0,0|2,0,0]=4 6746 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,2,0,0,0,0|2,0,0]=4 6747 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,2,0,0,0,0|2,0,0]=4 6748 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [0,2,0,0,0,0|2,0,0]=4 6749 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [0,2,0,0,0,0|2,0,0]=4 6750 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [0,2,0,0,0,0|2,0,0]=4 6751 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [0,2,0,0,0,0|2,0,0]=4 6752 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [0,2,0,0,0,0|2,0,0]=4 6753 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [0,2,0,0,0,0|2,0,0]=4 6754 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [0,2,0,0,0,0|2,0,0]=4 6755 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [0,2,0,0,0,0|2,0,0]=4 6756 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [0,2,0,0,0,0|2,0,0]=4 6757 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [0,2,0,0,0,0|2,0,0]=4 6758 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [0,2,0,0,0,0|2,0,0]=4 6759 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [0,2,0,0,0,0|2,0,0]=4 6760 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [0,2,0,0,0,0|2,0,0]=4 6761 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [0,2,0,0,0,0|2,0,0]=4 6762 B10R0.3 CCNC(=O)COCC(=O)C 34a_100000211253_100000183381 [0,2,0,0,0,0|1,0,1]=4 6763 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [0,2,0,0,0,0|1,0,0]=3 6764 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [0,2,0,0,0,0|1,0,0]=3 6765 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [0,2,0,0,0,0|1,0,0]=3 6766 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [0,2,0,0,0,0|1,0,0]=3 6767 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [0,2,0,0,0,0|1,0,0]=3 6768 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [0,2,0,0,0,0|1,0,0]=3 6769 B10R0.3 CCNC(=O)COCC(F)F 34a_100000743014_100000183381 [0,2,0,0,0,0|2,0,0]=4 6770 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [0,2,0,0,0,0|1,0,0]=3 6771 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [0,2,0,0,0,0|1,0,0]=3 6772 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [0,2,0,0,0,0|1,1,0]=4 6773 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [0,2,0,0,0,0|1,1,0]=4 6774 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [0,2,0,0,0,0|1,1,0]=4 6775 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [0,2,0,0,0,0|1,1,0]=4 6776 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [0,2,0,0,0,0|1,1,0]=4 6777 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [0,2,0,0,0,0|1,1,0]=4 6778 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [0,2,0,0,0,0|2,0,0]=4 6779 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [0,2,0,0,0,0|2,0,0]=4 6780 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [0,2,0,0,0,0|2,0,0]=4 6781 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [0,2,0,0,0,0|2,0,0]=4 6782 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [0,2,0,0,0,0|2,0,0]=4 6783 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [0,2,0,0,0,0|2,0,0]=4 6784 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,2,0,0,0,0|2,0,0]=4 6785 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,2,0,0,0,0|2,0,0]=4 6786 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,2,0,0,0,0|2,0,0]=4 6787 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,2,0,0,0,0|2,0,0]=4 6788 B10R0.3 CCNC(=O)NCCN(C)C 2708a_100015525214_100000210585 [0,2,0,0,0,0|2,0,0]=4 6789 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100000210585_100015525214 [0,2,0,0,0,0|2,0,0]=4 6790 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100015525214_100000210585 [0,2,0,0,0,0|2,0,0]=4 6791 B10R0.3 CCNC(=O)NCCN(C)C 512a_100015525214_100000210585 [0,2,0,0,0,0|2,0,0]=4 6792 B10R0.3 CCNC(=O)NNCC(C)C 273464a_100015525214_100000696102 [0,2,0,0,0,0|2,0,0]=4 6793 B10R0.3 CCNC(=O)NNCC(C)C 512a_100000696102_100015525214 [0,2,0,0,0,0|2,0,0]=4 6794 B10R0.3 CCNC(=O)NNCC(C)C 512a_100015525214_100000696102 [0,2,0,0,0,0|2,0,0]=4 6795 B10R0.3 CCNC(=O)NNCC(C)O 512a_100015525214_200000730056 [0,2,0,0,0,0|2,0,0]=4 6796 B10R0.3 CCNC(=O)NNCC(C)O 512a_200000730056_100015525214 [0,2,0,0,0,0|2,0,0]=4 6797 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,2,0,0,0,0|2,0,0]=4 6798 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,2,0,0,0,0|2,0,0]=4 6799 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,2,0,0,0,0|2,0,0]=4 6800 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,2,0,0,0,0|2,0,0]=4 6801 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,2,0,0,0,0|2,0,0]=4 6802 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,2,0,0,0,0|2,0,0]=4 6803 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,2,0,0,0,0|2,0,0]=4 6804 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,2,0,0,0,0|2,0,0]=4 6805 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,2,0,0,0,0|2,0,0]=4 6806 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,2,0,0,0,0|2,0,0]=4 6807 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,2,0,0,0,0|2,0,0]=4 6808 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,2,0,0,0,0|2,0,0]=4 6809 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,2,0,0,0,0|2,0,0]=4 6810 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,2,0,0,0,0|2,0,0]=4 6811 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,2,0,0,0,0|1,0,1]=4 6812 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,2,0,0,0,0|1,0,0]=3 6813 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,2,0,0,0,0|1,0,0]=3 6814 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,2,0,0,0,0|1,0,0]=3 6815 B10R0.3 CCOC(=O)COCC(F)F 34a_100000743014_100000188475 [0,2,0,0,0,0|2,0,0]=4 6816 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,2,0,0,0,0|1,0,0]=3 6817 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,2,0,0,0,0|1,0,0]=3 6818 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,2,0,0,0,0|1,1,0]=4 6819 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,2,0,0,0,0|1,1,0]=4 6820 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,2,0,0,0,0|1,1,0]=4 6821 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,2,0,0,0,0|1,1,0]=4 6822 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,2,0,0,0,0|1,1,0]=4 6823 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,2,0,0,0,0|1,1,0]=4 6824 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,2,0,0,0,0|2,0,0]=4 6825 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,2,0,0,0,0|2,0,0]=4 6826 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [0,2,0,0,0,0|1,0,0]=3 6827 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [0,2,0,0,0,0|2,0,0]=4 6828 B10R0.3 CN(C)CCNC(=O)CCO 240690a_100000210585_100011216618 [0,2,0,0,0,0|2,0,0]=4 6829 B10R0.3 CNNC(=O)COCC(C)C 22a_100016993582_100011223364 [0,2,0,0,0,0|2,0,0]=4 6830 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,2,0,0,0,0|2,0,0]=4 6831 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,2,0,0,0,0|2,0,0]=4 6832 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,2,0,0,0,0|2,0,0]=4 6833 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [0,2,0,0,0,0|2,0,0]=4 6834 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [0,2,0,0,0,0|2,0,0]=4 6835 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [0,2,0,0,0,0|2,0,0]=4 6836 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [0,2,0,0,0,0|2,0,0]=4 6837 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [0,2,0,0,0,0|2,0,0]=4 6838 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [0,2,0,0,0,0|2,0,0]=4 6839 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [0,2,0,0,0,0|2,0,0]=4 6840 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,2,0,0,0,0|2,0,0]=4 6841 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,2,0,0,0,0|2,0,0]=4 6842 B10R0.3 COCC(=O)NCCN(C)C 240690a_100000210585_100000210968 [0,2,0,0,0,0|2,0,0]=4 6843 B10R0.3 COCC(=O)NCCN(C)C 527a_100000210585_100000210968 [0,2,0,0,0,0|2,0,0]=4 6844 B10R0.3 COCC(=O)NNCC(C)C 22a_100000696102_100000210968 [0,2,0,0,0,0|2,0,0]=4 6845 B10R0.3 COCC(=O)NNCC(C)O 22a_200000730056_100000210968 [0,2,0,0,0,0|2,0,0]=4 6846 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,2,0,0,0,0|2,0,0]=4 6847 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,2,0,0,0,0|2,0,0]=4 6848 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,2,0,0,0,0|2,0,0]=4 6849 B10R0.3 CSCC(=O)CCCN(C)C 1458a_100000184570_100000695564 [0,2,0,0,0,0|2,0,0]=4 6850 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [0,2,0,0,0,0|2,0,0]=4 6851 B10R0.3 CSCC(=O)CCSC(C)C 1458a_100000184570_100000730970 [0,2,0,0,0,0|2,0,0]=4 6852 B10R0.3 CSCC(=O)NCCC(C)C 11a_100000210545_100000184570 [0,2,0,0,0,0|2,0,0]=4 6853 B10R0.3 CSCC(=O)NCCC(C)C 1626a_100000210545_100000184570 [0,2,0,0,0,0|2,0,0]=4 6854 B10R0.3 CSCC(=O)NCCC(C)C 240690a_100000210545_100000184570 [0,2,0,0,0,0|2,0,0]=4 6855 B10R0.3 CSCC(=O)NCCC(C)C 527a_100000210545_100000184570 [0,2,0,0,0,0|2,0,0]=4 6856 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [0,2,0,0,0,0|2,0,0]=4 6857 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [0,2,0,0,0,0|2,0,0]=4 6858 B10R0.3 CSCC(=O)NCCN(C)C 240690a_100000210585_100000184570 [0,2,0,0,0,0|2,0,0]=4 6859 B10R0.3 CSCC(=O)NCCN(C)C 527a_100000210585_100000184570 [0,2,0,0,0,0|2,0,0]=4 6860 B10R0.3 CSCC(=O)NNCC(C)C 22a_100000696102_100000184570 [0,2,0,0,0,0|2,0,0]=4 6861 B10R0.3 CSCC(=O)NNCC(C)O 22a_200000730056_100000184570 [0,2,0,0,0,0|2,0,0]=4 6862 B10R0.3 C[C@@H](Cl)COCC(=O)NCO 34a_100016084084_100000185155 [0,2,0,0,0,0|2,0,0]=4 6863 B10R0.3 C[C@@H](N)COCC(=O)NCO 34a_100000737577_100000185155 [0,2,0,0,0,0|2,0,0]=4 6864 B10R0.19 C#CCCC(=O)C(C)CCC 1458a_100000210906_100000753159 [0,2,0,0,0,0|1,0,1]=4 6865 B10R0.19 C#CCCC(=O)C(C)CCC 1458a_100000692101_100000766640 [0,2,0,0,0,0|1,0,1]=4 6866 B10R0.19 C#CCCC(=O)N(C)CCC 11a_100000747261_100000692101 [0,2,0,0,0,0|1,0,1]=4 6867 B10R0.19 C#CCCC(=O)N(C)CCC 1626a_100000747261_100000692101 [0,2,0,0,0,0|1,0,1]=4 6868 B10R0.19 C#CCCC(=O)N(C)CCC 240690a_100000747261_100000692101 [0,2,0,0,0,0|1,0,1]=4 6869 B10R0.19 C#CCCC(=O)N(C)CCC 527a_100000747261_100000692101 [0,2,0,0,0,0|1,0,1]=4 6870 B10R0.19 C#CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000753159 [0,2,0,0,0,0|1,0,1]=4 6871 B10R0.19 C/C=C/CC(=O)C(C)CCC 1458a_100000210906_100102629194 [0,2,0,0,0,0|1,0,1]=4 6872 B10R0.19 C/C=C/CC(=O)[C@@H](O)CCC 1458a_100009822183_100102629194 [0,2,0,0,0,0|1,0,1]=4 6873 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [0,2,0,0,0,0|2,0,0]=4 6874 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [0,2,0,0,0,0|2,0,0]=4 6875 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [0,2,0,0,0,0|2,0,0]=4 6876 B10R0.19 C=CCC(C)C(=O)CCCC 1458a_100011216819_100000210211 [0,2,0,0,0,0|1,0,1]=4 6877 B10R0.19 C=CCC(C)C(=O)NCCC 11a_100020643023_100011216819 [0,2,0,0,0,0|1,0,1]=4 6878 B10R0.19 C=CCC(C)C(=O)NCCC 1626a_100020643023_100011216819 [0,2,0,0,0,0|1,0,1]=4 6879 B10R0.19 C=CCC(C)C(=O)NCCC 240690a_100020643023_100011216819 [0,2,0,0,0,0|1,0,1]=4 6880 B10R0.19 C=CCC(C)C(=O)NCCC 527a_100020643023_100011216819 [0,2,0,0,0,0|1,0,1]=4 6881 B10R0.19 C=CCCC(=O)C(C)CCC 1458a_100000210906_100000754431 [0,2,0,0,0,0|1,0,1]=4 6882 B10R0.19 C=CCCC(=O)C(C)CCC 1458a_100000749702_100000766640 [0,2,0,0,0,0|1,0,1]=4 6883 B10R0.19 C=CCCC(=O)N(C)CCC 11a_100000747261_100000749702 [0,2,0,0,0,0|1,0,1]=4 6884 B10R0.19 C=CCCC(=O)N(C)CCC 1626a_100000747261_100000749702 [0,2,0,0,0,0|1,0,1]=4 6885 B10R0.19 C=CCCC(=O)N(C)CCC 240690a_100000747261_100000749702 [0,2,0,0,0,0|1,0,1]=4 6886 B10R0.19 C=CCCC(=O)N(C)CCC 527a_100000747261_100000749702 [0,2,0,0,0,0|1,0,1]=4 6887 B10R0.19 C=CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000754431 [0,2,0,0,0,0|1,0,1]=4 6888 B10R0.19 C=CCCN(C)C(=O)CCC 11a_100020639649_100000211992 [0,2,0,0,0,0|1,0,1]=4 6889 B10R0.19 C=CCCN(C)C(=O)CCC 1626a_100020639649_100000211992 [0,2,0,0,0,0|1,0,1]=4 6890 B10R0.19 C=CCCN(C)C(=O)CCC 240690a_100020639649_100000211992 [0,2,0,0,0,0|1,0,1]=4 6891 B10R0.19 C=CCCN(C)C(=O)CCC 527a_100020639649_100000211992 [0,2,0,0,0,0|1,0,1]=4 6892 B10R0.19 CC#CCC(=O)C(C)CCC 1458a_100000210906_100000748600 [0,2,0,0,0,0|1,0,1]=4 6893 B10R0.19 CC#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000748600 [0,2,0,0,0,0|1,0,1]=4 6894 B10R0.19 CC/C=C(\C)/C(=O)CCCC 1458a_100016988807_100000210211 [0,2,0,0,0,0|1,0,1]=4 6895 B10R0.19 CC/C=C(\C)/C(=O)CCCF 1458a_100016988807_100011934791 [0,2,0,0,0,0|1,0,1]=4 6896 B10R0.19 CC/C=C(\C)/C(=O)CCCO 1458a_100016988807_100011215043 [0,2,0,0,0,0|1,0,1]=4 6897 B10R0.19 CC/C=C(\C)/C(=O)CCOC 1458a_100016988807_100000233755 [0,2,0,0,0,0|1,0,1]=4 6898 B10R0.19 CC/C=C(\C)/C(=O)CCSC 1458a_100016988807_100000751147 [0,2,0,0,0,0|1,0,1]=4 6899 B10R0.19 CC/C=C(\C)/C(=O)NCCC 11a_100020643023_100016988807 [0,2,0,0,0,0|1,0,1]=4 6900 B10R0.19 CC/C=C(\C)/C(=O)NCCC 1626a_100020643023_100016988807 [0,2,0,0,0,0|1,0,1]=4 6901 B10R0.19 CC/C=C(\C)/C(=O)NCCC 240690a_100020643023_100016988807 [0,2,0,0,0,0|1,0,1]=4 6902 B10R0.19 CC/C=C(\C)/C(=O)NCCC 527a_100020643023_100016988807 [0,2,0,0,0,0|1,0,1]=4 6903 B10R0.19 CC=CCC(=O)C(C)CCC 1458a_100000210906_100000070051 [0,2,0,0,0,0|1,0,1]=4 6904 B10R0.19 CC=CCC(=O)C(C)CCC 1458a_100121576822_100000766640 [0,2,0,0,0,0|1,0,1]=4 6905 B10R0.19 CC=CCC(=O)N(C)CCC 11a_100000747261_100121576822 [0,2,0,0,0,0|1,0,1]=4 6906 B10R0.19 CC=CCC(=O)N(C)CCC 1626a_100000747261_100121576822 [0,2,0,0,0,0|1,0,1]=4 6907 B10R0.19 CC=CCC(=O)N(C)CCC 240690a_100000747261_100121576822 [0,2,0,0,0,0|1,0,1]=4 6908 B10R0.19 CC=CCC(=O)N(C)CCC 527a_100000747261_100121576822 [0,2,0,0,0,0|1,0,1]=4 6909 B10R0.19 CC=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000070051 [0,2,0,0,0,0|1,0,1]=4 6910 B10R0.19 CCC#CC(=O)C(C)CCC 1458a_100011827653_100000766640 [0,2,0,0,0,0|1,0,1]=4 6911 B10R0.19 CCC#CC(=O)C(C)CCO 1458a_100011827653_100009893172 [0,2,0,0,0,0|1,0,1]=4 6912 B10R0.19 CCC#CC(=O)C(C)COC 1458a_100011827653_100000765312 [0,2,0,0,0,0|1,0,1]=4 6913 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [0,2,0,0,0,0|1,0,0]=3 6914 B10R0.19 CCC/C=C(\C)/C(=O)CCF 1458a_200020648666_100011217306 [0,2,0,0,0,0|2,0,0]=4 6915 B10R0.19 CCC/C=C(\C)/C(=O)CCO 1458a_200020648666_100000211926 [0,2,0,0,0,0|2,0,0]=4 6916 B10R0.19 CCC/C=C(\C)/C(=O)NCC 11a_100015525214_200020648666 [0,2,0,0,0,0|2,0,0]=4 6917 B10R0.19 CCC/C=C(\C)/C(=O)NCC 240690a_100015525214_200020648666 [0,2,0,0,0,0|2,0,0]=4 6918 B10R0.19 CCC=CC(=O)C(C)CCC 1458a_100000212282_100000766640 [0,2,0,0,0,0|1,0,1]=4 6919 B10R0.19 CCC=CC(=O)C(C)CCO 1458a_100000212282_100009893172 [0,2,0,0,0,0|1,0,1]=4 6920 B10R0.19 CCC=CC(=O)C(C)COC 1458a_100000212282_100000765312 [0,2,0,0,0,0|1,0,1]=4 6921 B10R0.19 CCC=CC(=O)N(C)CCC 11a_100000747261_100000212282 [0,2,0,0,0,0|1,0,1]=4 6922 B10R0.19 CCC=CC(=O)N(C)CCC 1626a_100000747261_100000212282 [0,2,0,0,0,0|1,0,1]=4 6923 B10R0.19 CCC=CC(=O)N(C)CCC 240690a_100000747261_100000212282 [0,2,0,0,0,0|1,0,1]=4 6924 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [0,2,0,0,0,0|1,0,0]=3 6925 B10R0.19 CCCC(=O)N(C)CCC#N 11a_100000184479_100000211992 [0,2,0,0,0,0|1,0,1]=4 6926 B10R0.19 CCCC(=O)N(C)CCC#N 1626a_100000184479_100000211992 [0,2,0,0,0,0|1,0,1]=4 6927 B10R0.19 CCCC(=O)N(C)CCC#N 240690a_100000184479_100000211992 [0,2,0,0,0,0|1,0,1]=4 6928 B10R0.19 CCCC(=O)N(C)CCC#N 527a_100000184479_100000211992 [0,2,0,0,0,0|1,0,1]=4 6929 B10R0.19 CCCC(=O)N(C)CCCO 240690a_100000213112_100000211992 [0,2,0,0,0,0|1,0,0]=3 6930 B10R0.19 CCCC(=O)N(C)CCCO 527a_100000213112_100000211992 [0,2,0,0,0,0|1,0,0]=3 6931 B10R0.19 CCCC(=O)N(C)CCOC 11a_100000743101_100000211992 [0,2,0,0,0,0|1,0,0]=3 6932 B10R0.19 CCCC(=O)N(C)CCOC 1626a_100000743101_100000211992 [0,2,0,0,0,0|1,0,0]=3 6933 B10R0.19 CCCC(=O)N(C)CCOC 240690a_100000743101_100000211992 [0,2,0,0,0,0|1,0,0]=3 6934 B10R0.19 CCCC(=O)N(C)CCOC 527a_100000743101_100000211992 [0,2,0,0,0,0|1,0,0]=3 6935 B10R0.19 CCCC(=O)N(C)CCSC 11a_100000686725_100000211992 [0,2,0,0,0,0|1,0,0]=3 6936 B10R0.19 CCCC(=O)N(C)CCSC 1626a_100000686725_100000211992 [0,2,0,0,0,0|1,0,0]=3 6937 B10R0.19 CCCC(=O)N(C)CCSC 240690a_100000686725_100000211992 [0,2,0,0,0,0|1,0,0]=3 6938 B10R0.19 CCCC(=O)N(C)CCSC 527a_100000686725_100000211992 [0,2,0,0,0,0|1,0,0]=3 6939 B10R0.19 CCCC(C)C(=O)CCC#N 1458a_100000210906_100011215226 [0,2,0,0,0,0|1,0,1]=4 6940 B10R0.19 CCCC(C)C(=O)CCC#N 1458a_100011934036_100000766640 [0,2,0,0,0,0|1,0,1]=4 6941 B10R0.19 CCCC(C)C(=O)CCCF 1458a_100000210906_100011934791 [0,2,0,0,0,0|1,0,0]=3 6942 B10R0.19 CCCC(C)C(=O)CCCO 1458a_100000210906_100011215043 [0,2,0,0,0,0|1,0,0]=3 6943 B10R0.19 CCCC(C)C(=O)CCOC 1458a_100000210906_100000233755 [0,2,0,0,0,0|1,0,0]=3 6944 B10R0.19 CCCC(C)C(=O)CCOC 1458a_100000749529_100000766640 [0,2,0,0,0,0|1,0,0]=3 6945 B10R0.19 CCCC(C)C(=O)CCSC 1458a_100000174002_100000766640 [0,2,0,0,0,0|1,0,0]=3 6946 B10R0.19 CCCC(C)C(=O)CCSC 1458a_100000210906_100000751147 [0,2,0,0,0,0|1,0,0]=3 6947 B10R0.19 CCCC(C)C(=O)COCC 1458a_100000211967_100000766640 [0,2,0,0,0,0|1,0,0]=3 6948 B10R0.19 CCCC(C)C(=O)CSCC 1458a_100000230394_100000766640 [0,2,0,0,0,0|1,0,0]=3 6949 B10R0.19 CCCC(C)C(=O)NCCF 11a_100000724931_100000210906 [0,2,0,0,0,0|2,0,0]=4 6950 B10R0.19 CCCC(C)C(=O)NCCF 1626a_100000724931_100000210906 [0,2,0,0,0,0|2,0,0]=4 6951 B10R0.19 CCCC(C)C(=O)NCCF 240690a_100000724931_100000210906 [0,2,0,0,0,0|2,0,0]=4 6952 B10R0.19 CCCC(C)C(=O)NCCF 527a_100000724931_100000210906 [0,2,0,0,0,0|2,0,0]=4 6953 B10R0.19 CCCC(C)C(=O)NCCO 240690a_100000210304_100000210906 [0,2,0,0,0,0|2,0,0]=4 6954 B10R0.19 CCCC(C)C(=O)NCCO 527a_100000210304_100000210906 [0,2,0,0,0,0|2,0,0]=4 6955 B10R0.19 CCCC(C)C(=O)NNCC 22a_100000756455_100000210906 [0,2,0,0,0,0|2,0,0]=4 6956 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [0,2,0,0,0,0|1,0,1]=4 6957 B10R0.19 CCCCC(=O)C(C)CC#N 1458a_100000210183_100009813641 [0,2,0,0,0,0|1,0,1]=4 6958 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210183_100000766640 [0,2,0,0,0,0|1,0,0]=3 6959 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210906_100000210211 [0,2,0,0,0,0|1,0,0]=3 6960 B10R0.19 CCCCC(=O)C(C)CCO 1458a_100000210183_100009893172 [0,2,0,0,0,0|1,0,0]=3 6961 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000210183_100000765312 [0,2,0,0,0,0|1,0,0]=3 6962 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000751857_100000210211 [0,2,0,0,0,0|1,0,0]=3 6963 B10R0.19 CCCCC(=O)C(C)CSC 1458a_100000753918_100000210211 [0,2,0,0,0,0|1,0,0]=3 6964 B10R0.19 CCCCC(=O)C(C)OCC 1458a_100000739345_100000210211 [0,2,0,0,0,0|1,0,0]=3 6965 B10R0.19 CCCCC(=O)C(C)SCC 1458a_100000230601_100000210211 [0,2,0,0,0,0|1,0,0]=3 6966 B10R0.19 CCCCC(=O)N(C)CCC 11a_100000747261_100000210183 [0,2,0,0,0,0|1,0,0]=3 6967 B10R0.19 CCCCC(=O)N(C)CCC 1626a_100000747261_100000210183 [0,2,0,0,0,0|1,0,0]=3 6968 B10R0.19 CCCCC(=O)N(C)CCC 240690a_100000747261_100000210183 [0,2,0,0,0,0|1,0,0]=3 6969 B10R0.19 CCCCC(=O)N(C)CCC 527a_100000747261_100000210183 [0,2,0,0,0,0|1,0,0]=3 6970 B10R0.19 CCCCC(=O)N(C)CCO 240690a_100000210263_100000210183 [0,2,0,0,0,0|2,0,0]=4 6971 B10R0.19 CCCCC(=O)N(C)CCO 527a_100000210263_100000210183 [0,2,0,0,0,0|2,0,0]=4 6972 B10R0.19 CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210211 [0,2,0,0,0,0|1,0,0]=3 6973 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,2,0,0,0,0|1,0,0]=3 6974 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,2,0,0,0,0|1,0,0]=3 6975 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [0,2,0,0,0,0|2,0,0]=4 6976 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,2,0,0,0,0|2,0,0]=4 6977 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,2,0,0,0,0|2,0,0]=4 6978 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,2,0,0,0,0|2,0,0]=4 6979 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [0,2,0,0,0,0|2,0,0]=4 6980 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,2,0,0,0,0|2,0,0]=4 6981 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,2,0,0,0,0|2,0,0]=4 6982 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,2,0,0,0,0|2,0,0]=4 6983 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,2,0,0,0,0|1,0,0]=3 6984 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [0,2,0,0,0,0|2,0,0]=4 6985 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,2,0,0,0,0|2,0,0]=4 6986 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,2,0,0,0,0|2,0,0]=4 6987 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,2,0,0,0,0|2,0,0]=4 6988 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [0,2,0,0,0,0|1,0,0]=3 6989 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [0,2,0,0,0,0|1,0,0]=3 6990 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [0,2,0,0,0,0|1,0,0]=3 6991 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [0,2,0,0,0,0|1,0,0]=3 6992 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [0,2,0,0,0,0|2,0,0]=4 6993 B10R0.19 CCCCN(C)C(=O)CNC 2230a_106832991635_100000230175 [0,2,0,0,0,0|2,0,0]=4 6994 B10R0.19 CCCCN(C)C(=O)CNC 34a_100102657272_100000230175 [0,2,0,0,0,0|2,0,0]=4 6995 B10R0.19 CCCCN(C)C(=O)CNC 7a_106832991635_100000230175 [0,2,0,0,0,0|2,0,0]=4 6996 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [0,2,0,0,0,0|2,0,0]=4 6997 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [0,2,0,0,0,0|2,0,0]=4 6998 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [0,2,0,0,0,0|2,0,0]=4 6999 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [0,2,0,0,0,0|2,0,0]=4 7000 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [0,2,0,0,0,0|2,0,0]=4 7001 B10R0.19 CCCCN(C)C(=O)CSC 11a_100000207549_100000184570 [0,2,0,0,0,0|2,0,0]=4 7002 B10R0.19 CCCCN(C)C(=O)CSC 1626a_100000207549_100000184570 [0,2,0,0,0,0|2,0,0]=4 7003 B10R0.19 CCCCN(C)C(=O)CSC 240690a_100000207549_100000184570 [0,2,0,0,0,0|2,0,0]=4 7004 B10R0.19 CCCCN(C)C(=O)CSC 527a_100000207549_100000184570 [0,2,0,0,0,0|2,0,0]=4 7005 B10R0.19 CCCCN(C)C(=O)CSC 62a_100000230175_200000210301 [0,2,0,0,0,0|2,0,0]=4 7006 B10R0.19 CCCCN(C)C(=O)CSC 62a_200000210301_100000230175 [0,2,0,0,0,0|2,0,0]=4 7007 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_100000230175_200025704644 [0,2,0,0,0,0|2,0,0]=4 7008 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_200025704644_100000230175 [0,2,0,0,0,0|2,0,0]=4 7009 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [0,2,0,0,0,0|2,0,0]=4 7010 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [0,2,0,0,0,0|2,0,0]=4 7011 B10R0.19 CCCN(C)C(=O)CCC#N 11a_100000747261_100011934036 [0,2,0,0,0,0|1,0,1]=4 7012 B10R0.19 CCCN(C)C(=O)CCC#N 1626a_100000747261_100011934036 [0,2,0,0,0,0|1,0,1]=4 7013 B10R0.19 CCCN(C)C(=O)CCC#N 240690a_100000747261_100011934036 [0,2,0,0,0,0|1,0,1]=4 7014 B10R0.19 CCCN(C)C(=O)CCC#N 527a_100000747261_100011934036 [0,2,0,0,0,0|1,0,1]=4 7015 B10R0.19 CCCN(C)C(=O)CCOC 11a_100000747261_100000749529 [0,2,0,0,0,0|1,0,0]=3 7016 B10R0.19 CCCN(C)C(=O)CCOC 1626a_100000747261_100000749529 [0,2,0,0,0,0|1,0,0]=3 7017 B10R0.19 CCCN(C)C(=O)CCOC 240690a_100000747261_100000749529 [0,2,0,0,0,0|1,0,0]=3 7018 B10R0.19 CCCN(C)C(=O)CCOC 527a_100000747261_100000749529 [0,2,0,0,0,0|1,0,0]=3 7019 B10R0.19 CCCN(C)C(=O)CCSC 11a_100000747261_100000174002 [0,2,0,0,0,0|1,0,0]=3 7020 B10R0.19 CCCN(C)C(=O)CCSC 1626a_100000747261_100000174002 [0,2,0,0,0,0|1,0,0]=3 7021 B10R0.19 CCCN(C)C(=O)CCSC 240690a_100000747261_100000174002 [0,2,0,0,0,0|1,0,0]=3 7022 B10R0.19 CCCN(C)C(=O)CCSC 527a_100000747261_100000174002 [0,2,0,0,0,0|1,0,0]=3 7023 B10R0.19 CCCN(C)C(=O)COCC 11a_100000747261_100000211967 [0,2,0,0,0,0|1,0,0]=3 7024 B10R0.19 CCCN(C)C(=O)COCC 1626a_100000747261_100000211967 [0,2,0,0,0,0|1,0,0]=3 7025 B10R0.19 CCCN(C)C(=O)COCC 240690a_100000747261_100000211967 [0,2,0,0,0,0|1,0,0]=3 7026 B10R0.19 CCCN(C)C(=O)COCC 527a_100000747261_100000211967 [0,2,0,0,0,0|1,0,0]=3 7027 B10R0.19 CCCN(C)C(=O)CSCC 11a_100000747261_100000230394 [0,2,0,0,0,0|1,0,0]=3 7028 B10R0.19 CCCN(C)C(=O)CSCC 1626a_100000747261_100000230394 [0,2,0,0,0,0|1,0,0]=3 7029 B10R0.19 CCCN(C)C(=O)CSCC 240690a_100000747261_100000230394 [0,2,0,0,0,0|1,0,0]=3 7030 B10R0.19 CCCN(C)C(=O)CSCC 527a_100000747261_100000230394 [0,2,0,0,0,0|1,0,0]=3 7031 B10R0.19 CCCN(C)C(=O)NCCF 273464a_100000724931_100000747261 [0,2,0,0,0,0|2,0,0]=4 7032 B10R0.19 CCCN(C)C(=O)NCCO 273464a_100000210304_100000747261 [0,2,0,0,0,0|2,0,0]=4 7033 B10R0.19 CCCNC(=O)C(=O)CCC 1458a_200011297150_100000210303 [0,2,0,0,0,0|1,0,0]=3 7034 B10R0.19 CCCNC(=O)C(=O)CCF 1458a_200011297150_100011217306 [0,2,0,0,0,0|1,0,1]=4 7035 B10R0.19 CCCNC(=O)C(=O)CCO 1458a_200011297150_100000211926 [0,2,0,0,0,0|1,0,1]=4 7036 B10R0.19 CCCNC(=O)C(=O)NCC 1626a_100020643023_200011297158 [0,2,0,0,0,0|1,0,1]=4 7037 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100015525214_200011297150 [0,2,0,0,0,0|1,0,1]=4 7038 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100020643023_200011297158 [0,2,0,0,0,0|1,0,1]=4 7039 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100015525214_200011297150 [0,2,0,0,0,0|1,0,1]=4 7040 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100020643023_200011297158 [0,2,0,0,0,0|1,0,1]=4 7041 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 7042 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 7043 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 7044 B10R0.19 CCCNC(=O)C(C)CCC 11a_100020643023_100000210906 [0,2,0,0,0,0|1,0,0]=3 7045 B10R0.19 CCCNC(=O)C(C)CCC 1626a_100020643023_100000210906 [0,2,0,0,0,0|1,0,0]=3 7046 B10R0.19 CCCNC(=O)C(C)CCC 240690a_100020643023_100000210906 [0,2,0,0,0,0|1,0,0]=3 7047 B10R0.19 CCCNC(=O)C(C)CCC 527a_100020643023_100000210906 [0,2,0,0,0,0|1,0,0]=3 7048 B10R0.19 CCCNC(=O)C(C)COC 11a_100020643023_100000751857 [0,2,0,0,0,0|1,0,0]=3 7049 B10R0.19 CCCNC(=O)C(C)COC 1626a_100020643023_100000751857 [0,2,0,0,0,0|1,0,0]=3 7050 B10R0.19 CCCNC(=O)C(C)COC 240690a_100020643023_100000751857 [0,2,0,0,0,0|1,0,0]=3 7051 B10R0.19 CCCNC(=O)C(C)COC 527a_100020643023_100000751857 [0,2,0,0,0,0|1,0,0]=3 7052 B10R0.19 CCCNC(=O)C(C)CSC 11a_100020643023_100000753918 [0,2,0,0,0,0|1,0,0]=3 7053 B10R0.19 CCCNC(=O)C(C)CSC 1626a_100020643023_100000753918 [0,2,0,0,0,0|1,0,0]=3 7054 B10R0.19 CCCNC(=O)C(C)CSC 240690a_100020643023_100000753918 [0,2,0,0,0,0|1,0,0]=3 7055 B10R0.19 CCCNC(=O)C(C)CSC 527a_100020643023_100000753918 [0,2,0,0,0,0|1,0,0]=3 7056 B10R0.19 CCCNC(=O)C(C)NCC 2230a_100015525214_100000230305 [0,2,0,0,0,0|1,0,0]=3 7057 B10R0.19 CCCNC(=O)C(C)NCC 2230a_100025744714_100000210202 [0,2,0,0,0,0|1,0,0]=3 7058 B10R0.19 CCCNC(=O)C(C)NCC 34a_100025744714_100000210202 [0,2,0,0,0,0|1,0,0]=3 7059 B10R0.19 CCCNC(=O)C(C)NCF 34a_100025744714_100015361967 [0,2,0,0,0,0|2,0,0]=4 7060 B10R0.19 CCCNC(=O)C(C)OCC 11a_100020643023_100000739345 [0,2,0,0,0,0|1,0,0]=3 7061 B10R0.19 CCCNC(=O)C(C)OCC 1626a_100020643023_100000739345 [0,2,0,0,0,0|1,0,0]=3 7062 B10R0.19 CCCNC(=O)C(C)OCC 240690a_100020643023_100000739345 [0,2,0,0,0,0|1,0,0]=3 7063 B10R0.19 CCCNC(=O)C(C)OCC 34a_100121572206_100000230305 [0,2,0,0,0,0|1,0,0]=3 7064 B10R0.19 CCCNC(=O)C(C)OCC 527a_100020643023_100000739345 [0,2,0,0,0,0|1,0,0]=3 7065 B10R0.19 CCCNC(=O)C(C)SCC 11a_100020643023_100000230601 [0,2,0,0,0,0|1,0,0]=3 7066 B10R0.19 CCCNC(=O)C(C)SCC 1626a_100020643023_100000230601 [0,2,0,0,0,0|1,0,0]=3 7067 B10R0.19 CCCNC(=O)C(C)SCC 240690a_100020643023_100000230601 [0,2,0,0,0,0|1,0,0]=3 7068 B10R0.19 CCCNC(=O)C(C)SCC 527a_100020643023_100000230601 [0,2,0,0,0,0|1,0,0]=3 7069 B10R0.19 CCCNC(=O)C(C)SCC 62a_100000210202_100000230305 [0,2,0,0,0,0|1,0,0]=3 7070 B10R0.19 CCCNC(=O)C(C)SCC 62a_100000230305_100000210202 [0,2,0,0,0,0|1,0,0]=3 7071 B10R0.19 CCCNC(=O)C(C)SCF 62a_100000230305_100015361967 [0,2,0,0,0,0|2,0,0]=4 7072 B10R0.19 CCCNC(=O)C(C)SCF 62a_100015361967_100000230305 [0,2,0,0,0,0|2,0,0]=4 7073 B10R0.19 CCCNC(=O)N(C)CCC 2708a_100020643023_100000747261 [0,2,0,0,0,0|1,0,0]=3 7074 B10R0.19 CCCNC(=O)N(C)CCC 273464a_100020643023_100000747261 [0,2,0,0,0,0|1,0,0]=3 7075 B10R0.19 CCCNC(=O)N(C)CCO 2708a_100020643023_100000210263 [0,2,0,0,0,0|2,0,0]=4 7076 B10R0.19 CCCNC(=O)N(C)CCO 273464a_100020643023_100000210263 [0,2,0,0,0,0|2,0,0]=4 7077 B10R0.19 CCCNC(=O)[C@@H](O)CCC 240690a_100020643023_100009822183 [0,2,0,0,0,0|1,0,0]=3 7078 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [0,2,0,0,0,0|2,0,0]=4 7079 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [0,2,0,0,0,0|2,0,0]=4 7080 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [0,2,0,0,0,0|2,0,0]=4 7081 B10R0.19 CCCOC(=O)C(C)NCC 2230a_100015525214_100000760410 [0,2,0,0,0,0|0,0,0]=2 7082 B10R0.19 CCCOC(=O)C(C)OCC 34a_100000037348_100000210202 [0,2,0,0,0,0|0,0,0]=2 7083 B10R0.19 CCCOC(=O)C(C)OCC 34a_100121572206_100000760410 [0,2,0,0,0,0|0,0,0]=2 7084 B10R0.19 CCCOC(=O)C(C)OCC 7a_100000037348_100000210202 [0,2,0,0,0,0|0,0,0]=2 7085 B10R0.19 CCCOC(=O)C(C)OCF 34a_100000037348_100015361967 [0,2,0,0,0,0|1,0,0]=3 7086 B10R0.19 CCCOC(=O)C(C)OCF 7a_100000037348_100015361967 [0,2,0,0,0,0|1,0,0]=3 7087 B10R0.19 CCCOC(=O)C(C)SCC 62a_100000210202_100000760410 [0,2,0,0,0,0|0,0,0]=2 7088 B10R0.19 CCCOC(=O)C(C)SCC 62a_100000760410_100000210202 [0,2,0,0,0,0|0,0,0]=2 7089 B10R0.19 CCCOC(=O)C(C)SCF 62a_100000760410_100015361967 [0,2,0,0,0,0|1,0,0]=3 7090 B10R0.19 CCCOC(=O)C(C)SCF 62a_100015361967_100000760410 [0,2,0,0,0,0|1,0,0]=3 7091 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [0,2,0,0,0,0|1,0,0]=3 7092 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,2,0,0,0,0|1,0,0]=3 7093 B10R0.19 CCCOC(C)C(C)CCC 34a_100000708338_100000210303 [0,2,0,0,0,0|1,0,1]=4 7094 B10R0.19 CCCOC(C)C(C)CCC 7a_100000708338_100000210303 [0,2,0,0,0,0|1,0,1]=4 7095 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,2,0,0,0,0|1,0,0]=3 7096 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,2,0,0,0,0|1,0,0]=3 7097 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [0,2,0,0,0,0|1,1,0]=4 7098 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [0,2,0,0,0,0|1,1,0]=4 7099 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,2,0,0,0,0|1,1,0]=4 7100 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,2,0,0,0,0|1,1,0]=4 7101 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,2,0,0,0,0|1,1,0]=4 7102 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,2,0,0,0,0|1,1,0]=4 7103 B10R0.19 CCC[C@H](O)C(=O)CCC#N 1458a_100009822183_100011215226 [0,2,0,0,0,0|1,0,1]=4 7104 B10R0.19 CCC[C@H](O)C(=O)CCCF 1458a_100009822183_100011934791 [0,2,0,0,0,0|1,0,0]=3 7105 B10R0.19 CCC[C@H](O)C(=O)CCCO 1458a_100009822183_100011215043 [0,2,0,0,0,0|1,0,0]=3 7106 B10R0.19 CCC[C@H](O)C(=O)CCOC 1458a_100009822183_100000233755 [0,2,0,0,0,0|1,0,0]=3 7107 B10R0.19 CCC[C@H](O)C(=O)CCSC 1458a_100009822183_100000751147 [0,2,0,0,0,0|1,0,0]=3 7108 B10R0.19 CCC[C@H](O)C(=O)NCCF 240690a_100000724931_100009822183 [0,2,0,0,0,0|2,0,0]=4 7109 B10R0.19 CCC[C@H](O)C(=O)NCCO 240690a_100000210304_100009822183 [0,2,0,0,0,0|2,0,0]=4 7110 B10R0.19 CCC[C@H](O)C(=O)NNCC 22a_100000756455_100009822183 [0,2,0,0,0,0|2,0,0]=4 7111 B10R0.19 CCNC(=O)C(=O)CCCF 1458a_200011297158_100011934791 [0,2,0,0,0,0|2,0,0]=4 7112 B10R0.19 CCNC(=O)C(=O)CCCO 1458a_200011297158_100011215043 [0,2,0,0,0,0|2,0,0]=4 7113 B10R0.19 CCNC(=O)C(=O)CCOC 1458a_200011297158_100000233755 [0,2,0,0,0,0|2,0,0]=4 7114 B10R0.19 CCNC(=O)C(=O)CCSC 1458a_200011297158_100000751147 [0,2,0,0,0,0|2,0,0]=4 7115 B10R0.19 CCNC(=O)C(C)OCCBr 34a_100000211926_100000230173 [0,2,0,0,0,0|2,0,0]=4 7116 B10R0.19 CCNC(=O)C(C)OCCN 34a_100000210304_100000230173 [0,2,0,0,0,0|2,0,0]=4 7117 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [0,2,0,0,0,0|2,0,0]=4 7118 B10R0.19 CCNC(=O)N(C)CCCO 2708a_100015525214_100000213112 [0,2,0,0,0,0|2,0,0]=4 7119 B10R0.19 CCNC(=O)N(C)CCCO 273464a_100015525214_100000213112 [0,2,0,0,0,0|2,0,0]=4 7120 B10R0.19 CCNC(=O)N(C)CCOC 2708a_100015525214_100000743101 [0,2,0,0,0,0|2,0,0]=4 7121 B10R0.19 CCNC(=O)N(C)CCOC 273464a_100015525214_100000743101 [0,2,0,0,0,0|2,0,0]=4 7122 B10R0.19 CCNC(=O)N(C)CCSC 2708a_100015525214_100000686725 [0,2,0,0,0,0|2,0,0]=4 7123 B10R0.19 CCNC(=O)N(C)CCSC 273464a_100015525214_100000686725 [0,2,0,0,0,0|2,0,0]=4 7124 B10R0.19 CCNNC(=O)C(C)COC 22a_100000756455_100000751857 [0,2,0,0,0,0|2,0,0]=4 7125 B10R0.19 CCNNC(=O)C(C)CSC 22a_100000756455_100000753918 [0,2,0,0,0,0|2,0,0]=4 7126 B10R0.19 CCNNC(=O)C(C)OCC 22a_100000756455_100000739345 [0,2,0,0,0,0|2,0,0]=4 7127 B10R0.19 CCNNC(=O)C(C)SCC 22a_100000756455_100000230601 [0,2,0,0,0,0|2,0,0]=4 7128 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [0,2,0,0,0,0|2,0,0]=4 7129 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [0,2,0,0,0,0|2,0,0]=4 7130 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [0,2,0,0,0,0|2,0,0]=4 7131 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [0,2,0,0,0,0|2,0,0]=4 7132 B10R0.19 CCOC(=O)C(F)OCCBr 34a_100000211926_100000760018 [0,2,0,0,0,0|2,0,0]=4 7133 B10R0.19 CCOC(=O)C(F)OCCN 34a_100000210304_100000760018 [0,2,0,0,0,0|2,0,0]=4 7134 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [0,2,0,0,0,0|2,0,0]=4 7135 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [0,2,0,0,0,0|2,0,0]=4 7136 B10R0.19 CCOC(C)C(=O)CCCF 1458a_100000739345_100011934791 [0,2,0,0,0,0|2,0,0]=4 7137 B10R0.19 CCOC(C)C(=O)CCCO 1458a_100000739345_100011215043 [0,2,0,0,0,0|2,0,0]=4 7138 B10R0.19 CCOC(C)C(=O)CCOC 1458a_100000739345_100000233755 [0,2,0,0,0,0|2,0,0]=4 7139 B10R0.19 CCOC(C)C(=O)CCSC 1458a_100000739345_100000751147 [0,2,0,0,0,0|2,0,0]=4 7140 B10R0.19 CCOC(C)C(=O)NCCF 11a_100000724931_100000739345 [0,2,0,0,0,0|2,0,0]=4 7141 B10R0.19 CCOC(C)C(=O)NCCF 1626a_100000724931_100000739345 [0,2,0,0,0,0|2,0,0]=4 7142 B10R0.19 CCOC(C)C(=O)NCCF 240690a_100000724931_100000739345 [0,2,0,0,0,0|2,0,0]=4 7143 B10R0.19 CCOC(C)C(=O)NCCF 527a_100000724931_100000739345 [0,2,0,0,0,0|2,0,0]=4 7144 B10R0.19 CCOC(C)C(=O)NCCO 240690a_100000210304_100000739345 [0,2,0,0,0,0|2,0,0]=4 7145 B10R0.19 CCOC(C)C(=O)NCCO 527a_100000210304_100000739345 [0,2,0,0,0,0|2,0,0]=4 7146 B10R0.19 CCOCC(=O)C(C)CCO 1458a_100000211967_100009893172 [0,2,0,0,0,0|2,0,0]=4 7147 B10R0.19 CCOCC(=O)C(C)COC 1458a_100000211967_100000765312 [0,2,0,0,0,0|2,0,0]=4 7148 B10R0.19 CCOCC(=O)N(C)CCO 240690a_100000210263_100000211967 [0,2,0,0,0,0|2,0,0]=4 7149 B10R0.19 CCOCC(=O)N(C)CCO 527a_100000210263_100000211967 [0,2,0,0,0,0|2,0,0]=4 7150 B10R0.19 CCSC(C)C(=O)CCCF 1458a_100000230601_100011934791 [0,2,0,0,0,0|2,0,0]=4 7151 B10R0.19 CCSC(C)C(=O)CCCO 1458a_100000230601_100011215043 [0,2,0,0,0,0|2,0,0]=4 7152 B10R0.19 CCSC(C)C(=O)CCOC 1458a_100000230601_100000233755 [0,2,0,0,0,0|2,0,0]=4 7153 B10R0.19 CCSC(C)C(=O)CCSC 1458a_100000230601_100000751147 [0,2,0,0,0,0|2,0,0]=4 7154 B10R0.19 CCSC(C)C(=O)NCCF 11a_100000724931_100000230601 [0,2,0,0,0,0|2,0,0]=4 7155 B10R0.19 CCSC(C)C(=O)NCCF 1626a_100000724931_100000230601 [0,2,0,0,0,0|2,0,0]=4 7156 B10R0.19 CCSC(C)C(=O)NCCF 240690a_100000724931_100000230601 [0,2,0,0,0,0|2,0,0]=4 7157 B10R0.19 CCSC(C)C(=O)NCCF 527a_100000724931_100000230601 [0,2,0,0,0,0|2,0,0]=4 7158 B10R0.19 CCSC(C)C(=O)NCCO 240690a_100000210304_100000230601 [0,2,0,0,0,0|2,0,0]=4 7159 B10R0.19 CCSC(C)C(=O)NCCO 527a_100000210304_100000230601 [0,2,0,0,0,0|2,0,0]=4 7160 B10R0.19 CCSCC(=O)C(C)CCO 1458a_100000230394_100009893172 [0,2,0,0,0,0|2,0,0]=4 7161 B10R0.19 CCSCC(=O)C(C)COC 1458a_100000230394_100000765312 [0,2,0,0,0,0|2,0,0]=4 7162 B10R0.19 CCSCC(=O)N(C)CCO 240690a_100000210263_100000230394 [0,2,0,0,0,0|2,0,0]=4 7163 B10R0.19 CCSCC(=O)N(C)CCO 527a_100000210263_100000230394 [0,2,0,0,0,0|2,0,0]=4 7164 B10R0.19 CN(CCCO)C(=O)CCO 240690a_100000213112_100011216618 [0,2,0,0,0,0|2,0,0]=4 7165 B10R0.19 COCC(=O)N(C)CCCO 240690a_100000213112_100000210968 [0,2,0,0,0,0|2,0,0]=4 7166 B10R0.19 COCC(=O)N(C)CCCO 527a_100000213112_100000210968 [0,2,0,0,0,0|2,0,0]=4 7167 B10R0.19 COCC(=O)N(C)CCSC 11a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 7168 B10R0.19 COCC(=O)N(C)CCSC 1626a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 7169 B10R0.19 COCC(=O)N(C)CCSC 240690a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 7170 B10R0.19 COCC(=O)N(C)CCSC 527a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 7171 B10R0.19 COCC(C)C(=O)CCCF 1458a_100000751857_100011934791 [0,2,0,0,0,0|2,0,0]=4 7172 B10R0.19 COCC(C)C(=O)CCCO 1458a_100000751857_100011215043 [0,2,0,0,0,0|2,0,0]=4 7173 B10R0.19 COCC(C)C(=O)CCSC 1458a_100000174002_100000765312 [0,2,0,0,0,0|2,0,0]=4 7174 B10R0.19 COCC(C)C(=O)CCSC 1458a_100000751857_100000751147 [0,2,0,0,0,0|2,0,0]=4 7175 B10R0.19 COCC(C)C(=O)NCCF 11a_100000724931_100000751857 [0,2,0,0,0,0|2,0,0]=4 7176 B10R0.19 COCC(C)C(=O)NCCF 1626a_100000724931_100000751857 [0,2,0,0,0,0|2,0,0]=4 7177 B10R0.19 COCC(C)C(=O)NCCF 240690a_100000724931_100000751857 [0,2,0,0,0,0|2,0,0]=4 7178 B10R0.19 COCC(C)C(=O)NCCF 527a_100000724931_100000751857 [0,2,0,0,0,0|2,0,0]=4 7179 B10R0.19 COCC(C)C(=O)NCCO 240690a_100000210304_100000751857 [0,2,0,0,0,0|2,0,0]=4 7180 B10R0.19 COCC(C)C(=O)NCCO 527a_100000210304_100000751857 [0,2,0,0,0,0|2,0,0]=4 7181 B10R0.19 COCCC(=O)C(C)CCO 1458a_100000749529_100009893172 [0,2,0,0,0,0|2,0,0]=4 7182 B10R0.19 COCCC(=O)C(C)COC 1458a_100000749529_100000765312 [0,2,0,0,0,0|2,0,0]=4 7183 B10R0.19 COCCC(=O)C(C)COC 1458a_100000751857_100000233755 [0,2,0,0,0,0|2,0,0]=4 7184 B10R0.19 COCCC(=O)C(C)CSC 1458a_100000753918_100000233755 [0,2,0,0,0,0|2,0,0]=4 7185 B10R0.19 COCCC(=O)N(C)CCO 240690a_100000210263_100000749529 [0,2,0,0,0,0|2,0,0]=4 7186 B10R0.19 COCCC(=O)N(C)CCO 527a_100000210263_100000749529 [0,2,0,0,0,0|2,0,0]=4 7187 B10R0.19 COCCN(C)C(=O)CCO 240690a_100000743101_100011216618 [0,2,0,0,0,0|2,0,0]=4 7188 B10R0.19 COCCN(C)C(=O)COC 11a_100000743101_100000210968 [0,2,0,0,0,0|2,0,0]=4 7189 B10R0.19 COCCN(C)C(=O)COC 1626a_100000743101_100000210968 [0,2,0,0,0,0|2,0,0]=4 7190 B10R0.19 COCCN(C)C(=O)COC 240690a_100000743101_100000210968 [0,2,0,0,0,0|2,0,0]=4 7191 B10R0.19 COCCN(C)C(=O)COC 527a_100000743101_100000210968 [0,2,0,0,0,0|2,0,0]=4 7192 B10R0.19 COCCN(C)C(=O)CSC 11a_100000743101_100000184570 [0,2,0,0,0,0|2,0,0]=4 7193 B10R0.19 COCCN(C)C(=O)CSC 1626a_100000743101_100000184570 [0,2,0,0,0,0|2,0,0]=4 7194 B10R0.19 COCCN(C)C(=O)CSC 240690a_100000743101_100000184570 [0,2,0,0,0,0|2,0,0]=4 7195 B10R0.19 COCCN(C)C(=O)CSC 527a_100000743101_100000184570 [0,2,0,0,0,0|2,0,0]=4 7196 B10R0.19 CSCC(=O)N(C)CCCO 240690a_100000213112_100000184570 [0,2,0,0,0,0|2,0,0]=4 7197 B10R0.19 CSCC(=O)N(C)CCCO 527a_100000213112_100000184570 [0,2,0,0,0,0|2,0,0]=4 7198 B10R0.19 CSCC(C)C(=O)CCCF 1458a_100000753918_100011934791 [0,2,0,0,0,0|2,0,0]=4 7199 B10R0.19 CSCC(C)C(=O)CCCO 1458a_100000753918_100011215043 [0,2,0,0,0,0|2,0,0]=4 7200 B10R0.19 CSCC(C)C(=O)NCCF 11a_100000724931_100000753918 [0,2,0,0,0,0|2,0,0]=4 7201 B10R0.19 CSCC(C)C(=O)NCCF 1626a_100000724931_100000753918 [0,2,0,0,0,0|2,0,0]=4 7202 B10R0.19 CSCC(C)C(=O)NCCF 240690a_100000724931_100000753918 [0,2,0,0,0,0|2,0,0]=4 7203 B10R0.19 CSCC(C)C(=O)NCCF 527a_100000724931_100000753918 [0,2,0,0,0,0|2,0,0]=4 7204 B10R0.19 CSCC(C)C(=O)NCCO 240690a_100000210304_100000753918 [0,2,0,0,0,0|2,0,0]=4 7205 B10R0.19 CSCC(C)C(=O)NCCO 527a_100000210304_100000753918 [0,2,0,0,0,0|2,0,0]=4 7206 B10R0.19 CSCCC(=O)C(C)CCO 1458a_100000174002_100009893172 [0,2,0,0,0,0|2,0,0]=4 7207 B10R0.19 CSCCC(=O)C(C)CSC 1458a_100000753918_100000751147 [0,2,0,0,0,0|2,0,0]=4 7208 B10R0.19 CSCCC(=O)N(C)CCO 240690a_100000210263_100000174002 [0,2,0,0,0,0|2,0,0]=4 7209 B10R0.19 CSCCC(=O)N(C)CCO 527a_100000210263_100000174002 [0,2,0,0,0,0|2,0,0]=4 7210 B10R0.19 CSCCC(O)C(=O)CCF 1458a_100000685904_100011217306 [0,2,0,0,0,0|2,0,0]=4 7211 B10R0.19 CSCCC(O)C(=O)CCO 1458a_100000685904_100000211926 [0,2,0,0,0,0|2,0,0]=4 7212 B10R0.19 CSCCN(C)C(=O)CCO 240690a_100000686725_100011216618 [0,2,0,0,0,0|2,0,0]=4 7213 B10R0.19 CSCCN(C)C(=O)CSC 11a_100000686725_100000184570 [0,2,0,0,0,0|2,0,0]=4 7214 B10R0.19 CSCCN(C)C(=O)CSC 1626a_100000686725_100000184570 [0,2,0,0,0,0|2,0,0]=4 7215 B10R0.19 CSCCN(C)C(=O)CSC 240690a_100000686725_100000184570 [0,2,0,0,0,0|2,0,0]=4 7216 B10R0.19 CSCCN(C)C(=O)CSC 527a_100000686725_100000184570 [0,2,0,0,0,0|2,0,0]=4 7217 B10R0.24 C#CC(CCC)OCCCC 34a_200011217317_100000210210 [0,2,0,0,0,0|1,0,1]=4 7218 B10R0.24 C#CC(CCC)OCCCC 7a_200011217317_100000210211 [0,2,0,0,0,0|1,0,1]=4 7219 B10R0.24 C#CC(CCC)OCCCF 34a_200011217317_100011934791 [0,2,0,0,0,0|1,0,1]=4 7220 B10R0.24 C#CC(CCC)OCCCF 7a_200011217317_100011934791 [0,2,0,0,0,0|1,0,1]=4 7221 B10R0.24 C#CC(CCC)OCCCO 34a_200011217317_100000230001 [0,2,0,0,0,0|1,0,1]=4 7222 B10R0.24 C#CC(CCC)OCCCO 7a_200011217317_100011215043 [0,2,0,0,0,0|1,0,1]=4 7223 B10R0.24 C#CC(CCC)OCCOC 34a_200011217317_100011201679 [0,2,0,0,0,0|1,0,1]=4 7224 B10R0.24 C#CC(CCC)OCCOC 7a_200011217317_100000233755 [0,2,0,0,0,0|1,0,1]=4 7225 B10R0.24 C#CC(CCC)OCCSC 34a_200011217317_100000212216 [0,2,0,0,0,0|1,0,1]=4 7226 B10R0.24 C#CC(CCC)OCCSC 7a_200011217317_100000212216 [0,2,0,0,0,0|1,0,1]=4 7227 B10R0.24 C=CC(=NNCCC)CCC 4a_100000740057_200011215120 [0,2,0,0,0,0|2,0,0]=4 7228 B10R0.24 C=CC(CCC)OCCCC 34a_100011216692_100000210210 [0,2,0,0,0,0|1,0,1]=4 7229 B10R0.24 C=CC(CCC)OCCCC 7a_100011216692_100000210211 [0,2,0,0,0,0|1,0,1]=4 7230 B10R0.24 C=CC(CCC)OCCCF 34a_100011216692_100011934791 [0,2,0,0,0,0|1,0,1]=4 7231 B10R0.24 C=CC(CCC)OCCCF 7a_100011216692_100011934791 [0,2,0,0,0,0|1,0,1]=4 7232 B10R0.24 C=CC(CCC)OCCCO 34a_100011216692_100000230001 [0,2,0,0,0,0|1,0,1]=4 7233 B10R0.24 C=CC(CCC)OCCCO 7a_100011216692_100011215043 [0,2,0,0,0,0|1,0,1]=4 7234 B10R0.24 C=CC(CCC)OCCOC 34a_100011216692_100011201679 [0,2,0,0,0,0|1,0,1]=4 7235 B10R0.24 C=CC(CCC)OCCOC 7a_100011216692_100000233755 [0,2,0,0,0,0|1,0,1]=4 7236 B10R0.24 C=CC(CCC)OCCSC 34a_100011216692_100000212216 [0,2,0,0,0,0|1,0,1]=4 7237 B10R0.24 C=CC(CCC)OCCSC 7a_100011216692_100000212216 [0,2,0,0,0,0|1,0,1]=4 7238 B10R0.24 CCCC(C#N)OCCCF 34a_100000686963_100011934791 [0,2,0,0,0,0|1,0,1]=4 7239 B10R0.24 CCCC(C#N)OCCCF 7a_100000686963_100011934791 [0,2,0,0,0,0|1,0,1]=4 7240 B10R0.24 CCCC(C#N)OCCCO 34a_100000686963_100000230001 [0,2,0,0,0,0|1,0,1]=4 7241 B10R0.24 CCCC(C#N)OCCCO 7a_100000686963_100011215043 [0,2,0,0,0,0|1,0,1]=4 7242 B10R0.24 CCCC(C#N)OCCOC 34a_100000686963_100011201679 [0,2,0,0,0,0|1,0,1]=4 7243 B10R0.24 CCCC(C#N)OCCOC 7a_100000686963_100000233755 [0,2,0,0,0,0|1,0,1]=4 7244 B10R0.24 CCCC(C#N)OCCSC 34a_100000686963_100000212216 [0,2,0,0,0,0|1,0,1]=4 7245 B10R0.24 CCCC(C#N)OCCSC 7a_100000686963_100000212216 [0,2,0,0,0,0|1,0,1]=4 7246 B10R0.24 CCCC(CC)OCCCF 34a_100000687864_100011934791 [0,2,0,0,0,0|1,0,1]=4 7247 B10R0.24 CCCC(CC)OCCCF 7a_100000687864_100011934791 [0,2,0,0,0,0|1,0,1]=4 7248 B10R0.24 CCCC(CC)OCCCO 34a_100000687864_100000230001 [0,2,0,0,0,0|1,0,1]=4 7249 B10R0.24 CCCC(CC)OCCCO 7a_100000687864_100011215043 [0,2,0,0,0,0|1,0,1]=4 7250 B10R0.24 CCCC(CC)OCCOC 34a_100000687864_100011201679 [0,2,0,0,0,0|1,0,1]=4 7251 B10R0.24 CCCC(CC)OCCOC 7a_100000687864_100000233755 [0,2,0,0,0,0|1,0,1]=4 7252 B10R0.24 CCCC(CC)OCCSC 34a_100000687864_100000212216 [0,2,0,0,0,0|1,0,1]=4 7253 B10R0.24 CCCC(CC)OCCSC 7a_100000230434_100011219200 [0,2,0,0,0,0|1,0,1]=4 7254 B10R0.24 CCCC(CC)OCCSC 7a_100000687864_100000212216 [0,2,0,0,0,0|1,0,1]=4 7255 B10R0.24 CCCCOC(C#N)CCC 34a_100000686963_100000210210 [0,2,0,0,0,0|1,0,1]=4 7256 B10R0.24 CCCCOC(C#N)CCC 7a_100000686963_100000210211 [0,2,0,0,0,0|1,0,1]=4 7257 B10R0.24 CCCCOC(CC)CCC 34a_100000687864_100000210210 [0,2,0,0,0,0|1,0,1]=4 7258 B10R0.24 CCCCOC(CC)CCC 7a_100000210227_100011219200 [0,2,0,0,0,0|1,0,1]=4 7259 B10R0.24 CCCCOC(CC)CCC 7a_100000687864_100000210211 [0,2,0,0,0,0|1,0,1]=4 7260 B10R0.24 CCCNN=C(CC)CCC 4a_100000740057_100000687865 [0,2,0,0,0,0|2,0,0]=4 7261 B10R0.83 C#CC(C)C(=O)COCCC 1458a_100000745993_200000035995 [0,2,0,0,0,0|0,0,2]=4 7262 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100000690238_100000758301 [0,2,0,0,0,0|1,0,1]=4 7263 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100011192722_100000731252 [0,2,0,0,0,0|1,0,1]=4 7264 B10R0.83 C#CCCCC(=O)C(O)CC 1458a_100011196387_100000731252 [0,2,0,0,0,0|1,0,1]=4 7265 B10R0.83 C#CCCNC(=O)C(C)CC 11a_100000755551_100011192722 [0,2,0,0,0,0|1,0,1]=4 7266 B10R0.83 C#CCCNC(=O)C(C)CC 1626a_100000755551_100011192722 [0,2,0,0,0,0|1,0,1]=4 7267 B10R0.83 C#CCCNC(=O)C(C)CC 240690a_100000755551_100011192722 [0,2,0,0,0,0|1,0,1]=4 7268 B10R0.83 C#CCCNC(=O)C(C)CC 527a_100000755551_100011192722 [0,2,0,0,0,0|1,0,1]=4 7269 B10R0.83 C#CCCNC(=O)C(O)CC 240690a_100000755551_100011196387 [0,2,0,0,0,0|1,0,1]=4 7270 B10R0.83 C#CCOCC(=O)C(C)CC 1458a_100011251226_100000758301 [0,2,0,0,0,0|0,0,2]=4 7271 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100000766728_100000758301 [0,2,0,0,0,0|1,0,1]=4 7272 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100011192722_100000757094 [0,2,0,0,0,0|1,0,1]=4 7273 B10R0.83 C=CCCCC(=O)C(O)CC 1458a_100011196387_100000757094 [0,2,0,0,0,0|1,0,1]=4 7274 B10R0.83 C=CCCNC(=O)C(C)CC 11a_100015191253_100011192722 [0,2,0,0,0,0|1,0,1]=4 7275 B10R0.83 C=CCCNC(=O)C(C)CC 1626a_100015191253_100011192722 [0,2,0,0,0,0|1,0,1]=4 7276 B10R0.83 C=CCCNC(=O)C(C)CC 240690a_100015191253_100011192722 [0,2,0,0,0,0|1,0,1]=4 7277 B10R0.83 C=CCCNC(=O)C(C)CC 527a_100015191253_100011192722 [0,2,0,0,0,0|1,0,1]=4 7278 B10R0.83 C=CCCNC(=O)C(O)CC 240690a_100015191253_100011196387 [0,2,0,0,0,0|1,0,1]=4 7279 B10R0.83 CC#CCNC(=O)C(C)CC 11a_100000685387_100011192722 [0,2,0,0,0,0|1,0,1]=4 7280 B10R0.83 CC#CCNC(=O)C(C)CC 1626a_100000685387_100011192722 [0,2,0,0,0,0|1,0,1]=4 7281 B10R0.83 CC#CCNC(=O)C(C)CC 527a_100000685387_100011192722 [0,2,0,0,0,0|1,0,1]=4 7282 B10R0.83 CC/C=C/CC(=O)C(C)CC 1458a_100016274230_100000758301 [0,2,0,0,0,0|1,0,1]=4 7283 B10R0.83 CC/C=C\CC(=O)C(C)CC 1458a_100011192722_100103147603 [0,2,0,0,0,0|1,0,1]=4 7284 B10R0.83 CC/C=C\CC(=O)C(O)CC 1458a_100011196387_100103147603 [0,2,0,0,0,0|1,0,1]=4 7285 B10R0.83 CCC#CCC(=O)C(C)CC 1458a_100011192722_100009813939 [0,2,0,0,0,0|1,0,1]=4 7286 B10R0.83 CCC#CCC(=O)C(O)CC 1458a_100011196387_100009813939 [0,2,0,0,0,0|1,0,1]=4 7287 B10R0.83 CCC(C)C(=O)C=CCOC 1458a_100016285016_100000758301 [0,2,0,0,0,0|1,0,1]=4 7288 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100000075515_100000758301 [0,2,0,0,0,0|1,0,1]=4 7289 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100011192722_100000211468 [0,2,0,0,0,0|1,0,1]=4 7290 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [0,2,0,0,0,0|1,0,0]=3 7291 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [0,2,0,0,0,0|1,0,0]=3 7292 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [0,2,0,0,0,0|1,0,0]=3 7293 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [0,2,0,0,0,0|1,0,0]=3 7294 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [0,2,0,0,0,0|1,0,0]=3 7295 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [0,2,0,0,0,0|1,0,0]=3 7296 B10R0.83 CCC(C)C(=O)COCCO 1458a_100000708028_100000758301 [0,2,0,0,0,0|1,0,0]=3 7297 B10R0.83 CCC(C)C(=O)NCCC#N 11a_100000720768_100011192722 [0,2,0,0,0,0|1,0,1]=4 7298 B10R0.83 CCC(C)C(=O)NCCC#N 1626a_100000720768_100011192722 [0,2,0,0,0,0|1,0,1]=4 7299 B10R0.83 CCC(C)C(=O)NCCC#N 240690a_100000720768_100011192722 [0,2,0,0,0,0|1,0,1]=4 7300 B10R0.83 CCC(C)C(=O)NCCC#N 527a_100000720768_100011192722 [0,2,0,0,0,0|1,0,1]=4 7301 B10R0.83 CCC(C)C(=O)NCCCF 11a_100015189416_100011192722 [0,2,0,0,0,0|1,0,0]=3 7302 B10R0.83 CCC(C)C(=O)NCCCF 1626a_100015189416_100011192722 [0,2,0,0,0,0|1,0,0]=3 7303 B10R0.83 CCC(C)C(=O)NCCCF 240690a_100015189416_100011192722 [0,2,0,0,0,0|1,0,0]=3 7304 B10R0.83 CCC(C)C(=O)NCCCF 527a_100015189416_100011192722 [0,2,0,0,0,0|1,0,0]=3 7305 B10R0.83 CCC(C)C(=O)NCCCO 240690a_100000182051_100011192722 [0,2,0,0,0,0|1,0,0]=3 7306 B10R0.83 CCC(C)C(=O)NCCCO 527a_100000182051_100011192722 [0,2,0,0,0,0|1,0,0]=3 7307 B10R0.83 CCC(C)C(=O)NCCOC 1626a_100000209980_100011192722 [0,2,0,0,0,0|1,0,0]=3 7308 B10R0.83 CCC(C)C(=O)NCCOC 240690a_100000209980_100011192722 [0,2,0,0,0,0|1,0,0]=3 7309 B10R0.83 CCC(C)C(=O)NCCOC 527a_100000209980_100011192722 [0,2,0,0,0,0|1,0,0]=3 7310 B10R0.83 CCC(C)C(=O)NCCSC 11a_100020590264_100011192722 [0,2,0,0,0,0|1,0,0]=3 7311 B10R0.83 CCC(C)C(=O)NCCSC 1626a_100020590264_100011192722 [0,2,0,0,0,0|1,0,0]=3 7312 B10R0.83 CCC(C)C(=O)NCCSC 240690a_100020590264_100011192722 [0,2,0,0,0,0|1,0,0]=3 7313 B10R0.83 CCC(C)C(=O)NCCSC 527a_100020590264_100011192722 [0,2,0,0,0,0|1,0,0]=3 7314 B10R0.83 CCC(C)C(=O)NNCCO 22a_100000210001_100011192722 [0,2,0,0,0,0|2,0,0]=4 7315 B10R0.83 CCC(C)C(C)OCCCF 7a_100011215189_100011934791 [0,2,0,0,0,0|1,0,1]=4 7316 B10R0.83 CCC(C)C(C)OCCCO 7a_100011215189_100011215043 [0,2,0,0,0,0|1,0,1]=4 7317 B10R0.83 CCC(C)C(C)OCCOC 7a_100011215189_100000233755 [0,2,0,0,0,0|1,0,1]=4 7318 B10R0.83 CCC(C)C(C)OCCSC 7a_100011215189_100000212216 [0,2,0,0,0,0|1,0,1]=4 7319 B10R0.83 CCC(O)C(=O)CCCC#N 1458a_100011196387_100000211468 [0,2,0,0,0,0|1,0,1]=4 7320 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,2,0,0,0,0|1,0,0]=3 7321 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,2,0,0,0,0|1,0,0]=3 7322 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,2,0,0,0,0|1,0,0]=3 7323 B10R0.83 CCC(O)C(=O)NCCC#N 240690a_100000720768_100011196387 [0,2,0,0,0,0|1,0,1]=4 7324 B10R0.83 CCC(O)C(=O)NCCCF 240690a_100015189416_100011196387 [0,2,0,0,0,0|1,0,0]=3 7325 B10R0.83 CCC(O)C(=O)NCCCO 240690a_100000182051_100011196387 [0,2,0,0,0,0|1,0,0]=3 7326 B10R0.83 CCC(O)C(=O)NCCOC 240690a_100000209980_100011196387 [0,2,0,0,0,0|1,0,0]=3 7327 B10R0.83 CCC(O)C(=O)NCCSC 240690a_100020590264_100011196387 [0,2,0,0,0,0|1,0,0]=3 7328 B10R0.83 CCC(O)C(=O)NNCCO 22a_100000210001_100011196387 [0,2,0,0,0,0|2,0,0]=4 7329 B10R0.83 CCC=NNC(=O)C(C)CC 4a_100000740736_100000210100 [0,2,0,0,0,0|1,0,1]=4 7330 B10R0.83 CCCC#CC(=O)C(C)CC 1458a_200011218047_100000758301 [0,2,0,0,0,0|1,0,0]=3 7331 B10R0.83 CCCC#CC(=O)N(C)CC 240690a_100000225621_200011218047 [0,2,0,0,0,0|2,0,0]=4 7332 B10R0.83 CCCC=CC(=O)C(C)CC 1458a_100000212230_100000758301 [0,2,0,0,0,0|1,0,0]=3 7333 B10R0.83 CCCC=CC(=O)N(C)CC 11a_100000225621_100000212230 [0,2,0,0,0,0|2,0,0]=4 7334 B10R0.83 CCCC=CC(=O)N(C)CC 1626a_100000225621_100000212230 [0,2,0,0,0,0|2,0,0]=4 7335 B10R0.83 CCCC=CC(=O)N(C)CC 240690a_100000225621_100000212230 [0,2,0,0,0,0|2,0,0]=4 7336 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,2,0,0,0,0|1,0,0]=3 7337 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,2,0,0,0,0|1,0,0]=3 7338 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [0,2,0,0,0,0|2,0,0]=4 7339 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [0,2,0,0,0,0|2,0,0]=4 7340 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,2,0,0,0,0|1,0,0]=3 7341 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,2,0,0,0,0|2,0,0]=4 7342 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 7343 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 7344 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 7345 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 7346 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [0,2,0,0,0,0|1,0,0]=3 7347 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [0,2,0,0,0,0|1,0,0]=3 7348 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [0,2,0,0,0,0|1,0,0]=3 7349 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [0,2,0,0,0,0|1,0,0]=3 7350 B10R0.83 CCCCNC(=O)C(C)NC 2230a_106832991635_100000735917 [0,2,0,0,0,0|2,0,0]=4 7351 B10R0.83 CCCCNC(=O)C(C)NC 34a_100102657272_100000735917 [0,2,0,0,0,0|2,0,0]=4 7352 B10R0.83 CCCCNC(=O)C(C)NC 7a_106832991635_100000735917 [0,2,0,0,0,0|2,0,0]=4 7353 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [0,2,0,0,0,0|2,0,0]=4 7354 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [0,2,0,0,0,0|2,0,0]=4 7355 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [0,2,0,0,0,0|2,0,0]=4 7356 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [0,2,0,0,0,0|2,0,0]=4 7357 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [0,2,0,0,0,0|2,0,0]=4 7358 B10R0.83 CCCCNC(=O)C(C)SC 11a_100000102301_100000149566 [0,2,0,0,0,0|2,0,0]=4 7359 B10R0.83 CCCCNC(=O)C(C)SC 1626a_100000102301_100000149566 [0,2,0,0,0,0|2,0,0]=4 7360 B10R0.83 CCCCNC(=O)C(C)SC 240690a_100000102301_100000149566 [0,2,0,0,0,0|2,0,0]=4 7361 B10R0.83 CCCCNC(=O)C(C)SC 527a_100000102301_100000149566 [0,2,0,0,0,0|2,0,0]=4 7362 B10R0.83 CCCCNC(=O)C(C)SC 62a_100000735917_200000210301 [0,2,0,0,0,0|2,0,0]=4 7363 B10R0.83 CCCCNC(=O)C(C)SC 62a_200000210301_100000735917 [0,2,0,0,0,0|2,0,0]=4 7364 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_100000735917_200025704644 [0,2,0,0,0,0|2,0,0]=4 7365 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735917 [0,2,0,0,0,0|2,0,0]=4 7366 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [0,2,0,0,0,0|1,0,0]=3 7367 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [0,2,0,0,0,0|2,0,0]=4 7368 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [0,2,0,0,0,0|2,0,0]=4 7369 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [0,2,0,0,0,0|2,0,0]=4 7370 B10R0.83 CCCCOC(=O)C(C)NC 2230a_106832991635_100000759602 [0,2,0,0,0,0|1,0,0]=3 7371 B10R0.83 CCCCOC(=O)C(C)NC 34a_100102657272_100000759602 [0,2,0,0,0,0|1,0,0]=3 7372 B10R0.83 CCCCOC(=O)C(C)NC 7a_106832991635_100000759602 [0,2,0,0,0,0|1,0,0]=3 7373 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [0,2,0,0,0,0|1,0,0]=3 7374 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [0,2,0,0,0,0|1,0,0]=3 7375 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [0,2,0,0,0,0|1,0,0]=3 7376 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [0,2,0,0,0,0|1,0,0]=3 7377 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [0,2,0,0,0,0|1,0,0]=3 7378 B10R0.83 CCCCOC(=O)C(C)SC 62a_100000759602_200000210301 [0,2,0,0,0,0|1,0,0]=3 7379 B10R0.83 CCCCOC(=O)C(C)SC 62a_200000210301_100000759602 [0,2,0,0,0,0|1,0,0]=3 7380 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_100000759602_200025704644 [0,2,0,0,0,0|1,0,0]=3 7381 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000759602 [0,2,0,0,0,0|1,0,0]=3 7382 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [0,2,0,0,0,0|1,0,1]=4 7383 B10R0.83 CCCNN=C(C)C(C)CC 4a_100000740057_100000210599 [0,2,0,0,0,0|2,0,0]=4 7384 B10R0.83 CCCNNC(=O)C(C)CC 22a_100000740057_100011192722 [0,2,0,0,0,0|1,0,0]=3 7385 B10R0.83 CCCNNC(=O)C(C)OC 22a_100000740057_100000743197 [0,2,0,0,0,0|2,0,0]=4 7386 B10R0.83 CCCNNC(=O)C(C)SC 22a_100000740057_100000149566 [0,2,0,0,0,0|2,0,0]=4 7387 B10R0.83 CCCNNC(=O)C(O)CC 22a_100000740057_100011196387 [0,2,0,0,0,0|1,0,0]=3 7388 B10R0.83 CCCNNC(=O)C(O)CO 22a_100000740057_100011215603 [0,2,0,0,0,0|2,0,0]=4 7389 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,2,0,0,0,0|1,0,1]=4 7390 B10R0.83 CCCOCC(=O)C(C)C#N 1458a_100000745993_100000703298 [0,2,0,0,0,0|1,0,1]=4 7391 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [0,2,0,0,0,0|0,0,0]=2 7392 B10R0.83 CCCOCC(=O)N(C)CC 11a_100000225621_100000745993 [0,2,0,0,0,0|1,0,0]=3 7393 B10R0.83 CCCOCC(=O)N(C)CC 1626a_100000225621_100000745993 [0,2,0,0,0,0|1,0,0]=3 7394 B10R0.83 CCCOCC(=O)N(C)CC 240690a_100000225621_100000745993 [0,2,0,0,0,0|1,0,0]=3 7395 B10R0.83 CCCOCC(=O)N(C)CC 34a_100000210258_100000738999 [0,2,0,0,0,0|1,0,0]=3 7396 B10R0.83 CCCOCC(=O)N(C)CC 527a_100000225621_100000745993 [0,2,0,0,0,0|1,0,0]=3 7397 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [0,2,0,0,0,0|0,1,0]=3 7398 B10R0.83 CCCSCC(=O)N(C)CC 11a_100000225621_100000217233 [0,2,0,0,0,0|1,1,0]=4 7399 B10R0.83 CCCSCC(=O)N(C)CC 1626a_100000225621_100000217233 [0,2,0,0,0,0|1,1,0]=4 7400 B10R0.83 CCCSCC(=O)N(C)CC 240690a_100000225621_100000217233 [0,2,0,0,0,0|1,1,0]=4 7401 B10R0.83 CCCSCC(=O)N(C)CC 527a_100000225621_100000217233 [0,2,0,0,0,0|1,1,0]=4 7402 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000210303_100000738999 [0,2,0,0,0,0|1,1,0]=4 7403 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000738999_100000210303 [0,2,0,0,0,0|1,1,0]=4 7404 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [0,2,0,0,0,0|2,0,0]=4 7405 B10R0.83 CCN(C)C(=O)CCCOC 11a_100000225621_100000741012 [0,2,0,0,0,0|2,0,0]=4 7406 B10R0.83 CCN(C)C(=O)CCCOC 1626a_100000225621_100000741012 [0,2,0,0,0,0|2,0,0]=4 7407 B10R0.83 CCN(C)C(=O)CCCOC 240690a_100000225621_100000741012 [0,2,0,0,0,0|2,0,0]=4 7408 B10R0.83 CCN(C)C(=O)CCCOC 527a_100000225621_100000741012 [0,2,0,0,0,0|2,0,0]=4 7409 B10R0.83 CCN(C)C(=O)CCCSC 11a_100000225621_100000173376 [0,2,0,0,0,0|2,0,0]=4 7410 B10R0.83 CCN(C)C(=O)CCCSC 1626a_100000225621_100000173376 [0,2,0,0,0,0|2,0,0]=4 7411 B10R0.83 CCN(C)C(=O)CCCSC 240690a_100000225621_100000173376 [0,2,0,0,0,0|2,0,0]=4 7412 B10R0.83 CCN(C)C(=O)CCCSC 527a_100000225621_100000173376 [0,2,0,0,0,0|2,0,0]=4 7413 B10R0.83 CCN(C)C(=O)COCCBr 34a_100000211926_100000738999 [0,2,0,0,0,0|2,0,0]=4 7414 B10R0.83 CCN(C)C(=O)COCCN 34a_100000210304_100000738999 [0,2,0,0,0,0|2,0,0]=4 7415 B10R0.83 CCN(C)C(=O)COCCO 1626a_100000225621_100000708028 [0,2,0,0,0,0|2,0,0]=4 7416 B10R0.83 CCN(C)C(=O)COCCO 240690a_100000225621_100000708028 [0,2,0,0,0,0|2,0,0]=4 7417 B10R0.83 CCN(C)C(=O)NCCCF 2708a_100015189416_100000225621 [0,2,0,0,0,0|2,0,0]=4 7418 B10R0.83 CCN(C)C(=O)NCCCF 273464a_100015189416_100000225621 [0,2,0,0,0,0|2,0,0]=4 7419 B10R0.83 CCN(C)C(=O)NCCCO 273464a_100000182051_100000225621 [0,2,0,0,0,0|2,0,0]=4 7420 B10R0.83 CCN(C)C(=O)NCCOC 273464a_100000209980_100000225621 [0,2,0,0,0,0|2,0,0]=4 7421 B10R0.83 CCN(C)C(=O)NCCSC 2708a_100020590264_100000225621 [0,2,0,0,0,0|2,0,0]=4 7422 B10R0.83 CCN(C)C(=O)NCCSC 273464a_100020590264_100000225621 [0,2,0,0,0,0|2,0,0]=4 7423 B10R0.83 CCOC=CC(=O)C(C)CC 1458a_100016266692_100000758301 [0,2,0,0,0,0|1,0,1]=4 7424 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [0,2,0,0,0,0|1,0,0]=3 7425 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [0,2,0,0,0,0|1,0,0]=3 7426 B10R0.83 CCOCCC(=O)C(C)OC 1458a_100000743197_100011215890 [0,2,0,0,0,0|2,0,0]=4 7427 B10R0.83 CCOCCC(=O)C(C)SC 1458a_100000149566_100011215890 [0,2,0,0,0,0|2,0,0]=4 7428 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [0,2,0,0,0,0|1,0,0]=3 7429 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [0,2,0,0,0,0|2,0,0]=4 7430 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [0,2,0,0,0,0|2,0,0]=4 7431 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [0,2,0,0,0,0|2,0,0]=4 7432 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [0,2,0,0,0,0|2,0,0]=4 7433 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [0,2,0,0,0,0|2,0,0]=4 7434 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [0,2,0,0,0,0|1,0,0]=3 7435 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [0,2,0,0,0,0|1,0,0]=3 7436 B10R0.83 CCSCCC(=O)C(C)OC 1458a_100000743197_100000757381 [0,2,0,0,0,0|2,0,0]=4 7437 B10R0.83 CCSCCC(=O)C(C)SC 1458a_100000149566_100000757381 [0,2,0,0,0,0|2,0,0]=4 7438 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,2,0,0,0,0|1,0,0]=3 7439 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [0,2,0,0,0,0|2,0,0]=4 7440 B10R0.83 CCSCCC(=O)N(C)CC 11a_100000225621_100000230768 [0,2,0,0,0,0|2,0,0]=4 7441 B10R0.83 CCSCCC(=O)N(C)CC 1626a_100000225621_100000230768 [0,2,0,0,0,0|2,0,0]=4 7442 B10R0.83 CCSCCC(=O)N(C)CC 240690a_100000225621_100000230768 [0,2,0,0,0,0|2,0,0]=4 7443 B10R0.83 CCSCCC(=O)N(C)CC 527a_100000225621_100000230768 [0,2,0,0,0,0|2,0,0]=4 7444 B10R0.83 CNC(C)C(=O)NCCOC 2230a_106832991635_100000230274 [0,2,0,0,0,0|2,0,0]=4 7445 B10R0.83 CNC(C)C(=O)NCCOC 7a_106832991635_100000230274 [0,2,0,0,0,0|2,0,0]=4 7446 B10R0.83 COC(C)C(=O)CCCCF 1458a_100000743197_100000729493 [0,2,0,0,0,0|2,0,0]=4 7447 B10R0.83 COC(C)C(=O)CCCCO 1458a_100000743197_100000210776 [0,2,0,0,0,0|2,0,0]=4 7448 B10R0.83 COC(C)C(=O)NCCCF 11a_100015189416_100000743197 [0,2,0,0,0,0|2,0,0]=4 7449 B10R0.83 COC(C)C(=O)NCCCF 1626a_100015189416_100000743197 [0,2,0,0,0,0|2,0,0]=4 7450 B10R0.83 COC(C)C(=O)NCCCF 240690a_100015189416_100000743197 [0,2,0,0,0,0|2,0,0]=4 7451 B10R0.83 COC(C)C(=O)NCCCF 527a_100015189416_100000743197 [0,2,0,0,0,0|2,0,0]=4 7452 B10R0.83 COC(C)C(=O)NCCCO 240690a_100000182051_100000743197 [0,2,0,0,0,0|2,0,0]=4 7453 B10R0.83 COC(C)C(=O)NCCCO 527a_100000182051_100000743197 [0,2,0,0,0,0|2,0,0]=4 7454 B10R0.83 COC(C)C(=O)NCCSC 11a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 7455 B10R0.83 COC(C)C(=O)NCCSC 1626a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 7456 B10R0.83 COC(C)C(=O)NCCSC 240690a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 7457 B10R0.83 COC(C)C(=O)NCCSC 527a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 7458 B10R0.83 COCCCC(=O)C(C)OC 1458a_100000743197_100000740836 [0,2,0,0,0,0|2,0,0]=4 7459 B10R0.83 COCCCC(=O)C(C)SC 1458a_100000149566_100000740836 [0,2,0,0,0,0|2,0,0]=4 7460 B10R0.83 COCCCC(=O)C(O)CO 1458a_100011215603_100000740836 [0,2,0,0,0,0|2,0,0]=4 7461 B10R0.83 COCCNC(=O)C(C)OC 1626a_100000209980_100000743197 [0,2,0,0,0,0|2,0,0]=4 7462 B10R0.83 COCCNC(=O)C(C)OC 240690a_100000209980_100000743197 [0,2,0,0,0,0|2,0,0]=4 7463 B10R0.83 COCCNC(=O)C(C)OC 527a_100000209980_100000743197 [0,2,0,0,0,0|2,0,0]=4 7464 B10R0.83 COCCNC(=O)C(C)SC 1626a_100000209980_100000149566 [0,2,0,0,0,0|2,0,0]=4 7465 B10R0.83 COCCNC(=O)C(C)SC 240690a_100000209980_100000149566 [0,2,0,0,0,0|2,0,0]=4 7466 B10R0.83 COCCNC(=O)C(C)SC 527a_100000209980_100000149566 [0,2,0,0,0,0|2,0,0]=4 7467 B10R0.83 COCCNC(=O)C(C)SC 62a_100000230274_200000210301 [0,2,0,0,0,0|2,0,0]=4 7468 B10R0.83 COCCNC(=O)C(C)SC 62a_200000210301_100000230274 [0,2,0,0,0,0|2,0,0]=4 7469 B10R0.83 COCCNC(=O)C(C)S[13CH3] 62a_100000230274_200025704644 [0,2,0,0,0,0|2,0,0]=4 7470 B10R0.83 COCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230274 [0,2,0,0,0,0|2,0,0]=4 7471 B10R0.83 COCCNC(=O)C(O)CO 240690a_100000209980_100011215603 [0,2,0,0,0,0|2,0,0]=4 7472 B10R0.83 CSC(C)C(=O)CCCCF 1458a_100000149566_100000729493 [0,2,0,0,0,0|2,0,0]=4 7473 B10R0.83 CSC(C)C(=O)CCCCO 1458a_100000149566_100000210776 [0,2,0,0,0,0|2,0,0]=4 7474 B10R0.83 CSC(C)C(=O)NCCCF 11a_100015189416_100000149566 [0,2,0,0,0,0|2,0,0]=4 7475 B10R0.83 CSC(C)C(=O)NCCCF 1626a_100015189416_100000149566 [0,2,0,0,0,0|2,0,0]=4 7476 B10R0.83 CSC(C)C(=O)NCCCF 240690a_100015189416_100000149566 [0,2,0,0,0,0|2,0,0]=4 7477 B10R0.83 CSC(C)C(=O)NCCCF 527a_100015189416_100000149566 [0,2,0,0,0,0|2,0,0]=4 7478 B10R0.83 CSC(C)C(=O)NCCCO 240690a_100000182051_100000149566 [0,2,0,0,0,0|2,0,0]=4 7479 B10R0.83 CSC(C)C(=O)NCCCO 527a_100000182051_100000149566 [0,2,0,0,0,0|2,0,0]=4 7480 B10R0.83 CSCCNC(=O)C(C)SC 11a_100020590264_100000149566 [0,2,0,0,0,0|2,0,0]=4 7481 B10R0.83 CSCCNC(=O)C(C)SC 1626a_100020590264_100000149566 [0,2,0,0,0,0|2,0,0]=4 7482 B10R0.83 CSCCNC(=O)C(C)SC 240690a_100020590264_100000149566 [0,2,0,0,0,0|2,0,0]=4 7483 B10R0.83 CSCCNC(=O)C(C)SC 527a_100020590264_100000149566 [0,2,0,0,0,0|2,0,0]=4 7484 B10R0.83 CSCCNC(=O)C(O)CO 240690a_100020590264_100011215603 [0,2,0,0,0,0|2,0,0]=4 7485 B10R0.83 O=C(CCCCF)C(O)CO 1458a_100011215603_100000729493 [0,2,0,0,0,0|2,0,0]=4 7486 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [0,2,0,0,0,0|2,0,0]=4 7487 B10R0.83 O=C(NCCCF)C(O)CO 240690a_100015189416_100011215603 [0,2,0,0,0,0|2,0,0]=4 7488 B10R0.83 O=C(NCCCO)C(O)CO 240690a_100000182051_100011215603 [0,2,0,0,0,0|2,0,0]=4 7489 B10R0.91 C#CCCC(=O)C#CCCC 1458a_200011218047_100000753159 [0,2,0,0,0,0|1,0,1]=4 7490 B10R0.91 C#CCCC(=O)C=CCCC 1458a_100000212230_100000753159 [0,2,0,0,0,0|1,0,1]=4 7491 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [0,2,0,0,0,0|1,0,1]=4 7492 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [0,2,0,0,0,0|1,0,1]=4 7493 B10R0.91 C#CCCC(=O)CCCCF 1458a_100000692101_100000729493 [0,2,0,0,0,0|1,0,1]=4 7494 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000692101_100000210776 [0,2,0,0,0,0|1,0,1]=4 7495 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000695505_100000753159 [0,2,0,0,0,0|1,0,1]=4 7496 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000692101_100000740836 [0,2,0,0,0,0|1,0,1]=4 7497 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000741012_100000753159 [0,2,0,0,0,0|1,0,1]=4 7498 B10R0.91 C#CCCC(=O)CCCSC 1458a_100000173376_100000753159 [0,2,0,0,0,0|1,0,1]=4 7499 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000692101_100011215890 [0,2,0,0,0,0|1,0,1]=4 7500 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000749530_100000753159 [0,2,0,0,0,0|1,0,1]=4 7501 B10R0.91 C#CCCC(=O)CCOCC 34a_100011064465_100000210202 [0,2,0,0,0,0|1,0,1]=4 7502 B10R0.91 C#CCCC(=O)CCOCC 7a_100011064465_100000210202 [0,2,0,0,0,0|1,0,1]=4 7503 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000230768_100000753159 [0,2,0,0,0,0|1,0,1]=4 7504 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000692101_100000757381 [0,2,0,0,0,0|1,0,1]=4 7505 B10R0.91 C#CCCC(=O)COCCC 1458a_100000745993_100000753159 [0,2,0,0,0,0|0,0,1]=3 7506 B10R0.91 C#CCCC(=O)COCCO 1458a_100000708028_100000753159 [0,2,0,0,0,0|1,0,1]=4 7507 B10R0.91 C#CCCC(=O)CSCCC 1458a_100000217233_100000753159 [0,2,0,0,0,0|0,1,1]=4 7508 B10R0.91 C#CCCC(=O)NCCCC 11a_100000102301_100000692101 [0,2,0,0,0,0|1,0,1]=4 7509 B10R0.91 C#CCCC(=O)NCCCC 1626a_100000102301_100000692101 [0,2,0,0,0,0|1,0,1]=4 7510 B10R0.91 C#CCCC(=O)NCCCC 240690a_100000102301_100000692101 [0,2,0,0,0,0|1,0,1]=4 7511 B10R0.91 C#CCCC(=O)NCCCC 527a_100000102301_100000692101 [0,2,0,0,0,0|1,0,1]=4 7512 B10R0.91 C#CCCC(=O)NCCCF 11a_100015189416_100000692101 [0,2,0,0,0,0|1,0,1]=4 7513 B10R0.91 C#CCCC(=O)NCCCF 1626a_100015189416_100000692101 [0,2,0,0,0,0|1,0,1]=4 7514 B10R0.91 C#CCCC(=O)NCCCF 240690a_100015189416_100000692101 [0,2,0,0,0,0|1,0,1]=4 7515 B10R0.91 C#CCCC(=O)NCCCF 527a_100015189416_100000692101 [0,2,0,0,0,0|1,0,1]=4 7516 B10R0.91 C#CCCC(=O)NCCCO 240690a_100000182051_100000692101 [0,2,0,0,0,0|1,0,1]=4 7517 B10R0.91 C#CCCC(=O)NCCCO 527a_100000182051_100000692101 [0,2,0,0,0,0|1,0,1]=4 7518 B10R0.91 C#CCCC(=O)NCCOC 1626a_100000209980_100000692101 [0,2,0,0,0,0|1,0,1]=4 7519 B10R0.91 C#CCCC(=O)NCCOC 240690a_100000209980_100000692101 [0,2,0,0,0,0|1,0,1]=4 7520 B10R0.91 C#CCCC(=O)NCCOC 527a_100000209980_100000692101 [0,2,0,0,0,0|1,0,1]=4 7521 B10R0.91 C#CCCC(=O)NCCSC 11a_100020590264_100000692101 [0,2,0,0,0,0|1,0,1]=4 7522 B10R0.91 C#CCCC(=O)NCCSC 1626a_100020590264_100000692101 [0,2,0,0,0,0|1,0,1]=4 7523 B10R0.91 C#CCCC(=O)NCCSC 240690a_100020590264_100000692101 [0,2,0,0,0,0|1,0,1]=4 7524 B10R0.91 C#CCCC(=O)NCCSC 527a_100020590264_100000692101 [0,2,0,0,0,0|1,0,1]=4 7525 B10R0.91 C#CCCC(=O)NNCCC 22a_100000740057_100000692101 [0,2,0,0,0,0|1,0,1]=4 7526 B10R0.91 C#CCCCC(=O)C#CCC 1458a_100011827653_100000731252 [0,2,0,0,0,0|1,0,1]=4 7527 B10R0.91 C#CCCCC(=O)C=CCC 1458a_100000212282_100000731252 [0,2,0,0,0,0|1,0,1]=4 7528 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [0,2,0,0,0,0|1,0,0]=3 7529 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [0,2,0,0,0,0|1,0,0]=3 7530 B10R0.91 C#CCCCC(=O)CCCF 1458a_100000690238_100011934791 [0,2,0,0,0,0|1,0,1]=4 7531 B10R0.91 C#CCCCC(=O)CCCO 1458a_100000690238_100011215043 [0,2,0,0,0,0|1,0,1]=4 7532 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000690238_100000233755 [0,2,0,0,0,0|1,0,1]=4 7533 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000749529_100000731252 [0,2,0,0,0,0|1,0,1]=4 7534 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000174002_100000731252 [0,2,0,0,0,0|1,0,1]=4 7535 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000690238_100000751147 [0,2,0,0,0,0|1,0,1]=4 7536 B10R0.91 C#CCCCC(=O)COCC 1458a_100000211967_100000731252 [0,2,0,0,0,0|1,0,1]=4 7537 B10R0.91 C#CCCCC(=O)CSCC 1458a_100000230394_100000731252 [0,2,0,0,0,0|1,0,1]=4 7538 B10R0.91 C#CCCCC(=O)NCCC 11a_100020643023_100000690238 [0,2,0,0,0,0|1,0,0]=3 7539 B10R0.91 C#CCCCC(=O)NCCC 1626a_100020643023_100000690238 [0,2,0,0,0,0|1,0,0]=3 7540 B10R0.91 C#CCCCC(=O)NCCC 240690a_100020643023_100000690238 [0,2,0,0,0,0|1,0,0]=3 7541 B10R0.91 C#CCCCC(=O)NCCC 527a_100020643023_100000690238 [0,2,0,0,0,0|1,0,0]=3 7542 B10R0.91 C#CCCCC(=O)NCCF 11a_100000724931_100000690238 [0,2,0,0,0,0|2,0,0]=4 7543 B10R0.91 C#CCCCC(=O)NCCF 1626a_100000724931_100000690238 [0,2,0,0,0,0|2,0,0]=4 7544 B10R0.91 C#CCCCC(=O)NCCF 240690a_100000724931_100000690238 [0,2,0,0,0,0|2,0,0]=4 7545 B10R0.91 C#CCCCC(=O)NCCF 527a_100000724931_100000690238 [0,2,0,0,0,0|2,0,0]=4 7546 B10R0.91 C#CCCCC(=O)NCCO 240690a_100000210304_100000690238 [0,2,0,0,0,0|2,0,0]=4 7547 B10R0.91 C#CCCCC(=O)NCCO 527a_100000210304_100000690238 [0,2,0,0,0,0|2,0,0]=4 7548 B10R0.91 C#CCCCC(=O)NNCC 22a_100000756455_100000690238 [0,2,0,0,0,0|2,0,0]=4 7549 B10R0.91 C#CCCNC(=O)CCCC 11a_100000755551_100000210183 [0,2,0,0,0,0|1,0,1]=4 7550 B10R0.91 C#CCCNC(=O)CCCC 1626a_100000755551_100000210183 [0,2,0,0,0,0|1,0,1]=4 7551 B10R0.91 C#CCCNC(=O)CCCC 240690a_100000755551_100000210183 [0,2,0,0,0,0|1,0,1]=4 7552 B10R0.91 C#CCCNC(=O)CCCC 527a_100000755551_100000210183 [0,2,0,0,0,0|1,0,1]=4 7553 B10R0.91 C#CCCNC(=O)CCOC 11a_100000755551_100000749529 [0,2,0,0,0,0|1,0,1]=4 7554 B10R0.91 C#CCCNC(=O)CCOC 1626a_100000755551_100000749529 [0,2,0,0,0,0|1,0,1]=4 7555 B10R0.91 C#CCCNC(=O)CCOC 240690a_100000755551_100000749529 [0,2,0,0,0,0|1,0,1]=4 7556 B10R0.91 C#CCCNC(=O)CCOC 527a_100000755551_100000749529 [0,2,0,0,0,0|1,0,1]=4 7557 B10R0.91 C#CCCNC(=O)CCSC 11a_100000755551_100000174002 [0,2,0,0,0,0|1,0,1]=4 7558 B10R0.91 C#CCCNC(=O)CCSC 1626a_100000755551_100000174002 [0,2,0,0,0,0|1,0,1]=4 7559 B10R0.91 C#CCCNC(=O)CCSC 240690a_100000755551_100000174002 [0,2,0,0,0,0|1,0,1]=4 7560 B10R0.91 C#CCCNC(=O)CCSC 527a_100000755551_100000174002 [0,2,0,0,0,0|1,0,1]=4 7561 B10R0.91 C#CCCNC(=O)COCC 11a_100000755551_100000211967 [0,2,0,0,0,0|1,0,1]=4 7562 B10R0.91 C#CCCNC(=O)COCC 1626a_100000755551_100000211967 [0,2,0,0,0,0|1,0,1]=4 7563 B10R0.91 C#CCCNC(=O)COCC 240690a_100000755551_100000211967 [0,2,0,0,0,0|1,0,1]=4 7564 B10R0.91 C#CCCNC(=O)COCC 527a_100000755551_100000211967 [0,2,0,0,0,0|1,0,1]=4 7565 B10R0.91 C#CCCNC(=O)CSCC 11a_100000755551_100000230394 [0,2,0,0,0,0|1,0,1]=4 7566 B10R0.91 C#CCCNC(=O)CSCC 1626a_100000755551_100000230394 [0,2,0,0,0,0|1,0,1]=4 7567 B10R0.91 C#CCCNC(=O)CSCC 240690a_100000755551_100000230394 [0,2,0,0,0,0|1,0,1]=4 7568 B10R0.91 C#CCCNC(=O)CSCC 527a_100000755551_100000230394 [0,2,0,0,0,0|1,0,1]=4 7569 B10R0.91 C#CCCNC(=O)NCCC 2708a_100000755551_100020643023 [0,2,0,0,0,0|1,0,1]=4 7570 B10R0.91 C#CCCNC(=O)NCCC 2708a_100020643023_100000755551 [0,2,0,0,0,0|1,0,1]=4 7571 B10R0.91 C#CCCNC(=O)NCCC 273464a_100000755551_100020643023 [0,2,0,0,0,0|1,0,1]=4 7572 B10R0.91 C#CCCNC(=O)NCCC 273464a_100020643023_100000755551 [0,2,0,0,0,0|1,0,1]=4 7573 B10R0.91 C#CCCNC(=O)NCCC 512a_100000755551_100020643023 [0,2,0,0,0,0|1,0,1]=4 7574 B10R0.91 C#CCCNC(=O)NCCC 512a_100020643023_100000755551 [0,2,0,0,0,0|1,0,1]=4 7575 B10R0.91 C#CCNC(=O)COCCC 11a_100000212058_100000745993 [0,2,0,0,0,0|0,0,2]=4 7576 B10R0.91 C#CCNC(=O)COCCC 1626a_100000212058_100000745993 [0,2,0,0,0,0|0,0,2]=4 7577 B10R0.91 C#CCNC(=O)COCCC 240690a_100000212058_100000745993 [0,2,0,0,0,0|0,0,2]=4 7578 B10R0.91 C#CCNC(=O)COCCC 527a_100000212058_100000745993 [0,2,0,0,0,0|0,0,2]=4 7579 B10R0.91 C#CCNCC(=O)NCCC 2230a_100000174927_100000038162 [0,2,0,0,0,0|1,0,1]=4 7580 B10R0.91 C#CCNCC(=O)NCCC 34a_100000212058_100000183358 [0,2,0,0,0,0|1,0,1]=4 7581 B10R0.91 C#CCNCC(=O)OCCC 34a_100000212058_200011215008 [0,2,0,0,0,0|0,0,1]=3 7582 B10R0.91 C#CCOCC(=O)CCCC 1458a_100011251226_100000210211 [0,2,0,0,0,0|0,0,2]=4 7583 B10R0.91 C#CCOCC(=O)CCCF 1458a_100011251226_100011934791 [0,2,0,0,0,0|0,0,2]=4 7584 B10R0.91 C#CCOCC(=O)CCCO 1458a_100011251226_100011215043 [0,2,0,0,0,0|0,0,2]=4 7585 B10R0.91 C#CCOCC(=O)CCOC 1458a_100011251226_100000233755 [0,2,0,0,0,0|0,0,2]=4 7586 B10R0.91 C#CCOCC(=O)CCSC 1458a_100011251226_100000751147 [0,2,0,0,0,0|0,0,2]=4 7587 B10R0.91 C#CCOCC(=O)NCCC 11a_100020643023_100011251226 [0,2,0,0,0,0|0,0,2]=4 7588 B10R0.91 C#CCOCC(=O)NCCC 1626a_100020643023_100011251226 [0,2,0,0,0,0|0,0,2]=4 7589 B10R0.91 C#CCOCC(=O)NCCC 34a_100000210247_100000183358 [0,2,0,0,0,0|0,0,2]=4 7590 B10R0.91 C#CCOCC(=O)NCCC 527a_100020643023_100011251226 [0,2,0,0,0,0|0,0,2]=4 7591 B10R0.91 C#CCOCC(=O)OCCC 34a_100000210247_200011215008 [0,2,0,0,0,0|0,0,1]=3 7592 B10R0.91 C#CCSCC(=O)NCCC 62a_100000038162_100000183358 [0,2,0,0,0,0|1,0,1]=4 7593 B10R0.91 C#CCSCC(=O)OCCC 62a_100000038162_200011215008 [0,2,0,0,0,0|0,0,1]=3 7594 B10R0.91 C/C=C/CC(=O)C#CCCC 1458a_200011218047_100102629194 [0,2,0,0,0,0|1,0,1]=4 7595 B10R0.91 C/C=C/CC(=O)C=CCCC 1458a_100000212230_100102629194 [0,2,0,0,0,0|1,0,1]=4 7596 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,2,0,0,0,0|1,0,1]=4 7597 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [0,2,0,0,0,0|1,0,1]=4 7598 B10R0.91 C/C=C/CC(=O)CCCOC 1458a_100000741012_100102629194 [0,2,0,0,0,0|1,0,1]=4 7599 B10R0.91 C/C=C/CC(=O)CCCSC 1458a_100000173376_100102629194 [0,2,0,0,0,0|1,0,1]=4 7600 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [0,2,0,0,0,0|1,0,1]=4 7601 B10R0.91 C/C=C/CC(=O)CCSCC 1458a_100000230768_100102629194 [0,2,0,0,0,0|1,0,1]=4 7602 B10R0.91 C/C=C/CC(=O)COCCC 1458a_100000745993_100102629194 [0,2,0,0,0,0|0,0,1]=3 7603 B10R0.91 C/C=C/CC(=O)COCCO 1458a_100000708028_100102629194 [0,2,0,0,0,0|1,0,1]=4 7604 B10R0.91 C/C=C/CC(=O)CSCCC 1458a_100000217233_100102629194 [0,2,0,0,0,0|0,1,1]=4 7605 B10R0.91 C=C(CNCCF)OCOC 34a_100000724931_100000042856 [0,2,0,0,0,0|2,0,0]=4 7606 B10R0.91 C=C(CNCCO)OCOC 34a_100016990907_100000042856 [0,2,0,0,0,0|2,0,0]=4 7607 B10R0.91 C=C(COCCBr)OCOC 34a_100000211926_100000042856 [0,2,0,0,0,0|2,0,0]=4 7608 B10R0.91 C=C(COCCC)OCOC 34a_100000210258_100000042856 [0,2,0,0,0,0|2,0,0]=4 7609 B10R0.91 C=C(COCCN)OCOC 34a_100000210304_100000042856 [0,2,0,0,0,0|2,0,0]=4 7610 B10R0.91 C=C(CSCCC)OCOC 62a_100000042856_100000210303 [0,2,0,0,0,0|2,0,0]=4 7611 B10R0.91 C=C(CSCCC)OCOC 62a_100000210303_100000042856 [0,2,0,0,0,0|2,0,0]=4 7612 B10R0.91 C=C(CSCCF)OCOC 62a_100000042856_100011217306 [0,2,0,0,0,0|2,0,0]=4 7613 B10R0.91 C=C(CSCCF)OCOC 62a_100011217306_100000042856 [0,2,0,0,0,0|2,0,0]=4 7614 B10R0.91 C=C(CSCCO)OCOC 62a_100000042856_100000211926 [0,2,0,0,0,0|2,0,0]=4 7615 B10R0.91 C=C(CSCCO)OCOC 62a_100000211926_100000042856 [0,2,0,0,0,0|2,0,0]=4 7616 B10R0.91 C=C(CSCOC)OCOC 62a_100000042856_100000766300 [0,2,0,0,0,0|2,0,0]=4 7617 B10R0.91 C=C(CSCOC)OCOC 62a_100000766300_100000042856 [0,2,0,0,0,0|2,0,0]=4 7618 B10R0.91 C=C(CSCSC)OCOC 62a_100000042856_100011218213 [0,2,0,0,0,0|2,0,0]=4 7619 B10R0.91 C=C(CSCSC)OCOC 62a_100011218213_100000042856 [0,2,0,0,0,0|2,0,0]=4 7620 B10R0.91 C=CCCC(=O)C#CCCC 1458a_200011218047_100000754431 [0,2,0,0,0,0|1,0,1]=4 7621 B10R0.91 C=CCCC(=O)C=CCCC 1458a_100000212230_100000754431 [0,2,0,0,0,0|1,0,1]=4 7622 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,2,0,0,0,0|1,0,1]=4 7623 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,2,0,0,0,0|1,0,1]=4 7624 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [0,2,0,0,0,0|1,0,1]=4 7625 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [0,2,0,0,0,0|1,0,1]=4 7626 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [0,2,0,0,0,0|1,0,1]=4 7627 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [0,2,0,0,0,0|1,0,1]=4 7628 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [0,2,0,0,0,0|1,0,1]=4 7629 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [0,2,0,0,0,0|1,0,1]=4 7630 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [0,2,0,0,0,0|1,0,1]=4 7631 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [0,2,0,0,0,0|1,0,1]=4 7632 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [0,2,0,0,0,0|1,0,1]=4 7633 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [0,2,0,0,0,0|1,0,1]=4 7634 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [0,2,0,0,0,0|0,0,1]=3 7635 B10R0.91 C=CCCC(=O)COCCO 1458a_100000708028_100000754431 [0,2,0,0,0,0|1,0,1]=4 7636 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [0,2,0,0,0,0|0,1,1]=4 7637 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [0,2,0,0,0,0|1,0,1]=4 7638 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [0,2,0,0,0,0|1,0,1]=4 7639 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [0,2,0,0,0,0|1,0,1]=4 7640 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [0,2,0,0,0,0|1,0,1]=4 7641 B10R0.91 C=CCCC(=O)NCCCF 11a_100015189416_100000749702 [0,2,0,0,0,0|1,0,1]=4 7642 B10R0.91 C=CCCC(=O)NCCCF 1626a_100015189416_100000749702 [0,2,0,0,0,0|1,0,1]=4 7643 B10R0.91 C=CCCC(=O)NCCCF 240690a_100015189416_100000749702 [0,2,0,0,0,0|1,0,1]=4 7644 B10R0.91 C=CCCC(=O)NCCCF 527a_100015189416_100000749702 [0,2,0,0,0,0|1,0,1]=4 7645 B10R0.91 C=CCCC(=O)NCCCO 240690a_100000182051_100000749702 [0,2,0,0,0,0|1,0,1]=4 7646 B10R0.91 C=CCCC(=O)NCCCO 527a_100000182051_100000749702 [0,2,0,0,0,0|1,0,1]=4 7647 B10R0.91 C=CCCC(=O)NCCOC 1626a_100000209980_100000749702 [0,2,0,0,0,0|1,0,1]=4 7648 B10R0.91 C=CCCC(=O)NCCOC 240690a_100000209980_100000749702 [0,2,0,0,0,0|1,0,1]=4 7649 B10R0.91 C=CCCC(=O)NCCOC 527a_100000209980_100000749702 [0,2,0,0,0,0|1,0,1]=4 7650 B10R0.91 C=CCCC(=O)NCCSC 11a_100020590264_100000749702 [0,2,0,0,0,0|1,0,1]=4 7651 B10R0.91 C=CCCC(=O)NCCSC 1626a_100020590264_100000749702 [0,2,0,0,0,0|1,0,1]=4 7652 B10R0.91 C=CCCC(=O)NCCSC 240690a_100020590264_100000749702 [0,2,0,0,0,0|1,0,1]=4 7653 B10R0.91 C=CCCC(=O)NCCSC 527a_100020590264_100000749702 [0,2,0,0,0,0|1,0,1]=4 7654 B10R0.91 C=CCCC(=O)NNCCC 22a_100000740057_100000749702 [0,2,0,0,0,0|1,0,1]=4 7655 B10R0.91 C=CCCCC(=O)C#CCC 1458a_100011827653_100000757094 [0,2,0,0,0,0|1,0,1]=4 7656 B10R0.91 C=CCCCC(=O)C=CCC 1458a_100000212282_100000757094 [0,2,0,0,0,0|1,0,1]=4 7657 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [0,2,0,0,0,0|1,0,0]=3 7658 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [0,2,0,0,0,0|1,0,0]=3 7659 B10R0.91 C=CCCCC(=O)CCCF 1458a_100000766728_100011934791 [0,2,0,0,0,0|1,0,1]=4 7660 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [0,2,0,0,0,0|1,0,1]=4 7661 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [0,2,0,0,0,0|1,0,1]=4 7662 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [0,2,0,0,0,0|1,0,1]=4 7663 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000174002_100000757094 [0,2,0,0,0,0|1,0,1]=4 7664 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000766728_100000751147 [0,2,0,0,0,0|1,0,1]=4 7665 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [0,2,0,0,0,0|1,0,1]=4 7666 B10R0.91 C=CCCCC(=O)CSCC 1458a_100000230394_100000757094 [0,2,0,0,0,0|1,0,1]=4 7667 B10R0.91 C=CCCCC(=O)NCCC 11a_100020643023_100000766728 [0,2,0,0,0,0|1,0,0]=3 7668 B10R0.91 C=CCCCC(=O)NCCC 1626a_100020643023_100000766728 [0,2,0,0,0,0|1,0,0]=3 7669 B10R0.91 C=CCCCC(=O)NCCC 240690a_100020643023_100000766728 [0,2,0,0,0,0|1,0,0]=3 7670 B10R0.91 C=CCCCC(=O)NCCC 527a_100020643023_100000766728 [0,2,0,0,0,0|1,0,0]=3 7671 B10R0.91 C=CCCCC(=O)NCCF 11a_100000724931_100000766728 [0,2,0,0,0,0|2,0,0]=4 7672 B10R0.91 C=CCCCC(=O)NCCF 1626a_100000724931_100000766728 [0,2,0,0,0,0|2,0,0]=4 7673 B10R0.91 C=CCCCC(=O)NCCF 240690a_100000724931_100000766728 [0,2,0,0,0,0|2,0,0]=4 7674 B10R0.91 C=CCCCC(=O)NCCF 527a_100000724931_100000766728 [0,2,0,0,0,0|2,0,0]=4 7675 B10R0.91 C=CCCCC(=O)NCCO 240690a_100000210304_100000766728 [0,2,0,0,0,0|2,0,0]=4 7676 B10R0.91 C=CCCCC(=O)NCCO 527a_100000210304_100000766728 [0,2,0,0,0,0|2,0,0]=4 7677 B10R0.91 C=CCCCC(=O)NNCC 22a_100000756455_100000766728 [0,2,0,0,0,0|2,0,0]=4 7678 B10R0.91 C=CCCNC(=O)CCCC 11a_100015191253_100000210183 [0,2,0,0,0,0|1,0,1]=4 7679 B10R0.91 C=CCCNC(=O)CCCC 1626a_100015191253_100000210183 [0,2,0,0,0,0|1,0,1]=4 7680 B10R0.91 C=CCCNC(=O)CCCC 240690a_100015191253_100000210183 [0,2,0,0,0,0|1,0,1]=4 7681 B10R0.91 C=CCCNC(=O)CCCC 527a_100015191253_100000210183 [0,2,0,0,0,0|1,0,1]=4 7682 B10R0.91 C=CCCNC(=O)CCOC 11a_100015191253_100000749529 [0,2,0,0,0,0|1,0,1]=4 7683 B10R0.91 C=CCCNC(=O)CCOC 1626a_100015191253_100000749529 [0,2,0,0,0,0|1,0,1]=4 7684 B10R0.91 C=CCCNC(=O)CCOC 240690a_100015191253_100000749529 [0,2,0,0,0,0|1,0,1]=4 7685 B10R0.91 C=CCCNC(=O)CCOC 527a_100015191253_100000749529 [0,2,0,0,0,0|1,0,1]=4 7686 B10R0.91 C=CCCNC(=O)CCSC 11a_100015191253_100000174002 [0,2,0,0,0,0|1,0,1]=4 7687 B10R0.91 C=CCCNC(=O)CCSC 1626a_100015191253_100000174002 [0,2,0,0,0,0|1,0,1]=4 7688 B10R0.91 C=CCCNC(=O)CCSC 240690a_100015191253_100000174002 [0,2,0,0,0,0|1,0,1]=4 7689 B10R0.91 C=CCCNC(=O)CCSC 527a_100015191253_100000174002 [0,2,0,0,0,0|1,0,1]=4 7690 B10R0.91 C=CCCNC(=O)COCC 11a_100015191253_100000211967 [0,2,0,0,0,0|1,0,1]=4 7691 B10R0.91 C=CCCNC(=O)COCC 1626a_100015191253_100000211967 [0,2,0,0,0,0|1,0,1]=4 7692 B10R0.91 C=CCCNC(=O)COCC 240690a_100015191253_100000211967 [0,2,0,0,0,0|1,0,1]=4 7693 B10R0.91 C=CCCNC(=O)COCC 527a_100015191253_100000211967 [0,2,0,0,0,0|1,0,1]=4 7694 B10R0.91 C=CCCNC(=O)CSCC 11a_100015191253_100000230394 [0,2,0,0,0,0|1,0,1]=4 7695 B10R0.91 C=CCCNC(=O)CSCC 1626a_100015191253_100000230394 [0,2,0,0,0,0|1,0,1]=4 7696 B10R0.91 C=CCCNC(=O)CSCC 240690a_100015191253_100000230394 [0,2,0,0,0,0|1,0,1]=4 7697 B10R0.91 C=CCCNC(=O)CSCC 527a_100015191253_100000230394 [0,2,0,0,0,0|1,0,1]=4 7698 B10R0.91 C=CCCNC(=O)NCCC 2708a_100015191253_100020643023 [0,2,0,0,0,0|1,0,1]=4 7699 B10R0.91 C=CCCNC(=O)NCCC 2708a_100020643023_100015191253 [0,2,0,0,0,0|1,0,1]=4 7700 B10R0.91 C=CCCNC(=O)NCCC 273464a_100015191253_100020643023 [0,2,0,0,0,0|1,0,1]=4 7701 B10R0.91 C=CCCNC(=O)NCCC 273464a_100020643023_100015191253 [0,2,0,0,0,0|1,0,1]=4 7702 B10R0.91 C=CCCNC(=O)NCCC 512a_100015191253_100020643023 [0,2,0,0,0,0|1,0,1]=4 7703 B10R0.91 C=CCCNC(=O)NCCC 512a_100020643023_100015191253 [0,2,0,0,0,0|1,0,1]=4 7704 B10R0.91 C=CCNC(=O)COCCC 1626a_100020586998_100000745993 [0,2,0,0,0,0|0,0,2]=4 7705 B10R0.91 C=CCNC(=O)COCCC 240690a_100020586998_100000745993 [0,2,0,0,0,0|0,0,2]=4 7706 B10R0.91 C=CCNC(=O)COCCC 527a_100020586998_100000745993 [0,2,0,0,0,0|0,0,2]=4 7707 B10R0.91 C=CCNCC(=O)NCCC 2230a_100000174927_100000210623 [0,2,0,0,0,0|1,0,1]=4 7708 B10R0.91 C=CCNCC(=O)NCCC 2230a_100020586998_100000183358 [0,2,0,0,0,0|1,0,1]=4 7709 B10R0.91 C=CCNCC(=O)OCCC 2230a_100020586998_200011215008 [0,2,0,0,0,0|0,0,1]=3 7710 B10R0.91 C=CCOC(=O)CNCCF 34a_100000724931_100000033060 [0,2,0,0,0,0|0,0,2]=4 7711 B10R0.91 C=CCOC(=O)CNCCO 2230a_100016997473_100000033060 [0,2,0,0,0,0|0,0,2]=4 7712 B10R0.91 C=CCOC(=O)CNCCO 34a_100016990907_100000033060 [0,2,0,0,0,0|0,0,2]=4 7713 B10R0.91 C=CCOC(=O)COCCBr 34a_100000211926_100000033060 [0,2,0,0,0,0|0,0,2]=4 7714 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [0,2,0,0,0,0|0,0,2]=4 7715 B10R0.91 C=CCOC(=O)COCCN 34a_100000210304_100000033060 [0,2,0,0,0,0|0,0,2]=4 7716 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [0,2,0,0,0,0|0,0,2]=4 7717 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [0,2,0,0,0,0|0,0,2]=4 7718 B10R0.91 C=CCOC(=O)CSCCF 62a_100000033060_100011217306 [0,2,0,0,0,0|0,0,2]=4 7719 B10R0.91 C=CCOC(=O)CSCCF 62a_100011217306_100000033060 [0,2,0,0,0,0|0,0,2]=4 7720 B10R0.91 C=CCOC(=O)CSCCO 62a_100000033060_100000211926 [0,2,0,0,0,0|0,0,2]=4 7721 B10R0.91 C=CCOC(=O)CSCCO 62a_100000211926_100000033060 [0,2,0,0,0,0|0,0,2]=4 7722 B10R0.91 C=CCOC(=O)CSCOC 62a_100000033060_100000766300 [0,2,0,0,0,0|0,0,2]=4 7723 B10R0.91 C=CCOC(=O)CSCOC 62a_100000766300_100000033060 [0,2,0,0,0,0|0,0,2]=4 7724 B10R0.91 C=CCOC(=O)CSCSC 62a_100000033060_100011218213 [0,2,0,0,0,0|0,0,2]=4 7725 B10R0.91 C=CCOC(=O)CSCSC 62a_100011218213_100000033060 [0,2,0,0,0,0|0,0,2]=4 7726 B10R0.91 C=CCOCC(=O)NCCC 34a_200000210373_100000183358 [0,2,0,0,0,0|0,0,2]=4 7727 B10R0.91 C=CCOCC(=O)OCCC 34a_200000210373_200011215008 [0,2,0,0,0,0|0,0,1]=3 7728 B10R0.91 C=CCSCC(=O)CCCC 1458a_100000230395_100000210211 [0,2,0,0,0,0|1,0,1]=4 7729 B10R0.91 C=CCSCC(=O)NCCC 11a_100020643023_100000230395 [0,2,0,0,0,0|1,0,1]=4 7730 B10R0.91 C=CCSCC(=O)NCCC 1626a_100020643023_100000230395 [0,2,0,0,0,0|1,0,1]=4 7731 B10R0.91 C=CCSCC(=O)NCCC 240690a_100020643023_100000230395 [0,2,0,0,0,0|1,0,1]=4 7732 B10R0.91 C=CCSCC(=O)NCCC 527a_100020643023_100000230395 [0,2,0,0,0,0|1,0,1]=4 7733 B10R0.91 C=CCSCC(=O)NCCC 62a_100000183358_100000210623 [0,2,0,0,0,0|1,0,1]=4 7734 B10R0.91 C=CCSCC(=O)NCCC 62a_100000210623_100000183358 [0,2,0,0,0,0|1,0,1]=4 7735 B10R0.91 C=CCSCC(=O)OCCC 62a_100000210623_200011215008 [0,2,0,0,0,0|0,0,1]=3 7736 B10R0.91 C=CCSCC(=O)OCCC 62a_200011215008_100000210623 [0,2,0,0,0,0|0,0,1]=3 7737 B10R0.91 C=COCCC(=O)CCCC 1458a_100000210183_100000039644 [0,2,0,0,0,0|1,0,1]=4 7738 B10R0.91 CC#CCC(=O)C#CCCC 1458a_200011218047_100000748600 [0,2,0,0,0,0|1,0,1]=4 7739 B10R0.91 CC#CCC(=O)C=CCCC 1458a_100000212230_100000748600 [0,2,0,0,0,0|1,0,1]=4 7740 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [0,2,0,0,0,0|1,0,1]=4 7741 B10R0.91 CC#CCC(=O)CCCCO 1458a_100000695505_100000748600 [0,2,0,0,0,0|1,0,1]=4 7742 B10R0.91 CC#CCC(=O)CCCOC 1458a_100000741012_100000748600 [0,2,0,0,0,0|1,0,1]=4 7743 B10R0.91 CC#CCC(=O)CCCSC 1458a_100000173376_100000748600 [0,2,0,0,0,0|1,0,1]=4 7744 B10R0.91 CC#CCC(=O)CCOCC 1458a_100000749530_100000748600 [0,2,0,0,0,0|1,0,1]=4 7745 B10R0.91 CC#CCC(=O)CCSCC 1458a_100000230768_100000748600 [0,2,0,0,0,0|1,0,1]=4 7746 B10R0.91 CC#CCC(=O)COCCC 1458a_100000745993_100000748600 [0,2,0,0,0,0|0,0,1]=3 7747 B10R0.91 CC#CCC(=O)COCCO 1458a_100000708028_100000748600 [0,2,0,0,0,0|1,0,1]=4 7748 B10R0.91 CC#CCC(=O)CSCCC 1458a_100000217233_100000748600 [0,2,0,0,0,0|0,1,1]=4 7749 B10R0.91 CC#CCNC(=O)CCCC 11a_100000685387_100000210183 [0,2,0,0,0,0|1,0,1]=4 7750 B10R0.91 CC#CCNC(=O)CCCC 1626a_100000685387_100000210183 [0,2,0,0,0,0|1,0,1]=4 7751 B10R0.91 CC#CCNC(=O)CCCC 527a_100000685387_100000210183 [0,2,0,0,0,0|1,0,1]=4 7752 B10R0.91 CC#CCNC(=O)CCOC 11a_100000685387_100000749529 [0,2,0,0,0,0|1,0,1]=4 7753 B10R0.91 CC#CCNC(=O)CCOC 1626a_100000685387_100000749529 [0,2,0,0,0,0|1,0,1]=4 7754 B10R0.91 CC#CCNC(=O)CCOC 527a_100000685387_100000749529 [0,2,0,0,0,0|1,0,1]=4 7755 B10R0.91 CC#CCNC(=O)CCSC 11a_100000685387_100000174002 [0,2,0,0,0,0|1,0,1]=4 7756 B10R0.91 CC#CCNC(=O)CCSC 1626a_100000685387_100000174002 [0,2,0,0,0,0|1,0,1]=4 7757 B10R0.91 CC#CCNC(=O)CCSC 527a_100000685387_100000174002 [0,2,0,0,0,0|1,0,1]=4 7758 B10R0.91 CC#CCNC(=O)COCC 11a_100000685387_100000211967 [0,2,0,0,0,0|1,0,1]=4 7759 B10R0.91 CC#CCNC(=O)COCC 1626a_100000685387_100000211967 [0,2,0,0,0,0|1,0,1]=4 7760 B10R0.91 CC#CCNC(=O)COCC 527a_100000685387_100000211967 [0,2,0,0,0,0|1,0,1]=4 7761 B10R0.91 CC#CCNC(=O)CSCC 11a_100000685387_100000230394 [0,2,0,0,0,0|1,0,1]=4 7762 B10R0.91 CC#CCNC(=O)CSCC 1626a_100000685387_100000230394 [0,2,0,0,0,0|1,0,1]=4 7763 B10R0.91 CC#CCNC(=O)CSCC 527a_100000685387_100000230394 [0,2,0,0,0,0|1,0,1]=4 7764 B10R0.91 CC#CCNC(=O)NCCC 2708a_100020643023_100000685387 [0,2,0,0,0,0|1,0,1]=4 7765 B10R0.91 CC#CCNC(=O)NCCC 273464a_100000685387_100020643023 [0,2,0,0,0,0|1,0,1]=4 7766 B10R0.91 CC#CCNC(=O)NCCC 273464a_100020643023_100000685387 [0,2,0,0,0,0|1,0,1]=4 7767 B10R0.91 CC#CCNC(=O)NCCC 512a_100000685387_100020643023 [0,2,0,0,0,0|1,0,1]=4 7768 B10R0.91 CC#CCNC(=O)NCCC 512a_100020643023_100000685387 [0,2,0,0,0,0|1,0,1]=4 7769 B10R0.91 CC(CCCCl)OCCCF 34a_200000718107_100011934791 [0,2,0,0,0,0|1,0,1]=4 7770 B10R0.91 CC(CCCCl)OCCCF 7a_200000718107_100011934791 [0,2,0,0,0,0|1,0,1]=4 7771 B10R0.91 CC(CCCCl)OCCCO 34a_200000718107_100000230001 [0,2,0,0,0,0|1,0,1]=4 7772 B10R0.91 CC(CCCCl)OCCCO 7a_200000718107_100011215043 [0,2,0,0,0,0|1,0,1]=4 7773 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [0,2,0,0,0,0|1,0,0]=3 7774 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [0,2,0,0,0,0|1,0,1]=4 7775 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [0,2,0,0,0,0|1,0,1]=4 7776 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [0,2,0,0,0,0|1,0,1]=4 7777 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [0,2,0,0,0,0|1,0,1]=4 7778 B10R0.91 CC/C=C/CC(=O)NCCC 11a_100020643023_100016274230 [0,2,0,0,0,0|1,0,0]=3 7779 B10R0.91 CC/C=C/CC(=O)NCCC 1626a_100020643023_100016274230 [0,2,0,0,0,0|1,0,0]=3 7780 B10R0.91 CC/C=C/CC(=O)NCCC 240690a_100020643023_100016274230 [0,2,0,0,0,0|1,0,0]=3 7781 B10R0.91 CC/C=C/CC(=O)NCCC 527a_100020643023_100016274230 [0,2,0,0,0,0|1,0,0]=3 7782 B10R0.91 CC/C=C/CC(=O)NCCF 11a_100000724931_100016274230 [0,2,0,0,0,0|2,0,0]=4 7783 B10R0.91 CC/C=C/CC(=O)NCCF 1626a_100000724931_100016274230 [0,2,0,0,0,0|2,0,0]=4 7784 B10R0.91 CC/C=C/CC(=O)NCCF 240690a_100000724931_100016274230 [0,2,0,0,0,0|2,0,0]=4 7785 B10R0.91 CC/C=C/CC(=O)NCCF 527a_100000724931_100016274230 [0,2,0,0,0,0|2,0,0]=4 7786 B10R0.91 CC/C=C/CC(=O)NCCO 240690a_100000210304_100016274230 [0,2,0,0,0,0|2,0,0]=4 7787 B10R0.91 CC/C=C/CC(=O)NCCO 527a_100000210304_100016274230 [0,2,0,0,0,0|2,0,0]=4 7788 B10R0.91 CC/C=C/CC(=O)NNCC 22a_100000756455_100016274230 [0,2,0,0,0,0|2,0,0]=4 7789 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [0,2,0,0,0,0|1,0,0]=3 7790 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [0,2,0,0,0,0|1,0,1]=4 7791 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [0,2,0,0,0,0|1,0,1]=4 7792 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [0,2,0,0,0,0|1,0,1]=4 7793 B10R0.91 CC/C=C\CC(=O)CSCC 1458a_100000230394_100103147603 [0,2,0,0,0,0|1,0,1]=4 7794 B10R0.91 CC=CCC(=O)C#CCCC 1458a_200011218047_100000070051 [0,2,0,0,0,0|1,0,1]=4 7795 B10R0.91 CC=CCC(=O)C=CCCC 1458a_100000212230_100000070051 [0,2,0,0,0,0|1,0,1]=4 7796 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,2,0,0,0,0|1,0,1]=4 7797 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,2,0,0,0,0|1,0,1]=4 7798 B10R0.91 CC=CCC(=O)CCCCF 1458a_100121576822_100000729493 [0,2,0,0,0,0|1,0,1]=4 7799 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [0,2,0,0,0,0|1,0,1]=4 7800 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [0,2,0,0,0,0|1,0,1]=4 7801 B10R0.91 CC=CCC(=O)CCCOC 1458a_100000741012_100000070051 [0,2,0,0,0,0|1,0,1]=4 7802 B10R0.91 CC=CCC(=O)CCCOC 1458a_100121576822_100000740836 [0,2,0,0,0,0|1,0,1]=4 7803 B10R0.91 CC=CCC(=O)CCCSC 1458a_100000173376_100000070051 [0,2,0,0,0,0|1,0,1]=4 7804 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [0,2,0,0,0,0|1,0,1]=4 7805 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [0,2,0,0,0,0|1,0,1]=4 7806 B10R0.91 CC=CCC(=O)CCSCC 1458a_100000230768_100000070051 [0,2,0,0,0,0|1,0,1]=4 7807 B10R0.91 CC=CCC(=O)CCSCC 1458a_100121576822_100000757381 [0,2,0,0,0,0|1,0,1]=4 7808 B10R0.91 CC=CCC(=O)COCCC 1458a_100000745993_100000070051 [0,2,0,0,0,0|0,0,1]=3 7809 B10R0.91 CC=CCC(=O)COCCO 1458a_100000708028_100000070051 [0,2,0,0,0,0|1,0,1]=4 7810 B10R0.91 CC=CCC(=O)CSCCC 1458a_100000217233_100000070051 [0,2,0,0,0,0|0,1,1]=4 7811 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [0,2,0,0,0,0|1,0,1]=4 7812 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [0,2,0,0,0,0|1,0,1]=4 7813 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [0,2,0,0,0,0|1,0,1]=4 7814 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [0,2,0,0,0,0|1,0,1]=4 7815 B10R0.91 CC=CCC(=O)NCCCF 11a_100015189416_100121576822 [0,2,0,0,0,0|1,0,1]=4 7816 B10R0.91 CC=CCC(=O)NCCCF 1626a_100015189416_100121576822 [0,2,0,0,0,0|1,0,1]=4 7817 B10R0.91 CC=CCC(=O)NCCCF 240690a_100015189416_100121576822 [0,2,0,0,0,0|1,0,1]=4 7818 B10R0.91 CC=CCC(=O)NCCCF 527a_100015189416_100121576822 [0,2,0,0,0,0|1,0,1]=4 7819 B10R0.91 CC=CCC(=O)NCCCO 240690a_100000182051_100121576822 [0,2,0,0,0,0|1,0,1]=4 7820 B10R0.91 CC=CCC(=O)NCCCO 527a_100000182051_100121576822 [0,2,0,0,0,0|1,0,1]=4 7821 B10R0.91 CC=CCC(=O)NCCOC 1626a_100000209980_100121576822 [0,2,0,0,0,0|1,0,1]=4 7822 B10R0.91 CC=CCC(=O)NCCOC 240690a_100000209980_100121576822 [0,2,0,0,0,0|1,0,1]=4 7823 B10R0.91 CC=CCC(=O)NCCOC 527a_100000209980_100121576822 [0,2,0,0,0,0|1,0,1]=4 7824 B10R0.91 CC=CCC(=O)NCCSC 11a_100020590264_100121576822 [0,2,0,0,0,0|1,0,1]=4 7825 B10R0.91 CC=CCC(=O)NCCSC 1626a_100020590264_100121576822 [0,2,0,0,0,0|1,0,1]=4 7826 B10R0.91 CC=CCC(=O)NCCSC 240690a_100020590264_100121576822 [0,2,0,0,0,0|1,0,1]=4 7827 B10R0.91 CC=CCC(=O)NCCSC 527a_100020590264_100121576822 [0,2,0,0,0,0|1,0,1]=4 7828 B10R0.91 CC=CCC(=O)NNCCC 22a_100000740057_100121576822 [0,2,0,0,0,0|1,0,1]=4 7829 B10R0.91 CCC#CC(=O)C/C=C\CC 1458a_100011827653_100103147603 [0,2,0,0,0,0|1,0,1]=4 7830 B10R0.91 CCC#CC(=O)CCCC#N 1458a_100011827653_100000211468 [0,2,0,0,0,0|1,0,1]=4 7831 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,2,0,0,0,0|1,0,1]=4 7832 B10R0.91 CCC#CC(=O)CCCCF 1458a_100011827653_100000729493 [0,2,0,0,0,0|1,0,1]=4 7833 B10R0.91 CCC#CC(=O)CCCCO 1458a_100011827653_100000210776 [0,2,0,0,0,0|1,0,1]=4 7834 B10R0.91 CCC#CC(=O)CCCOC 1458a_100011827653_100000740836 [0,2,0,0,0,0|1,0,1]=4 7835 B10R0.91 CCC#CC(=O)CCOCC 1458a_100011827653_100011215890 [0,2,0,0,0,0|1,0,1]=4 7836 B10R0.91 CCC#CC(=O)CCSCC 1458a_100011827653_100000757381 [0,2,0,0,0,0|1,0,1]=4 7837 B10R0.91 CCC#CC(=O)NNCCC 22a_100000740057_100011827653 [0,2,0,0,0,0|1,0,1]=4 7838 B10R0.91 CCC#CCC(=O)C#CCC 1458a_100011827653_100009813939 [0,2,0,0,0,0|1,0,1]=4 7839 B10R0.91 CCC#CCC(=O)C=CCC 1458a_100000212282_100009813939 [0,2,0,0,0,0|1,0,1]=4 7840 B10R0.91 CCC#CCC(=O)CCCC 1458a_100000210183_100009813939 [0,2,0,0,0,0|1,0,0]=3 7841 B10R0.91 CCC#CCC(=O)CCOC 1458a_100000749529_100009813939 [0,2,0,0,0,0|1,0,1]=4 7842 B10R0.91 CCC#CCC(=O)CCSC 1458a_100000174002_100009813939 [0,2,0,0,0,0|1,0,1]=4 7843 B10R0.91 CCC#CCC(=O)COCC 1458a_100000211967_100009813939 [0,2,0,0,0,0|1,0,1]=4 7844 B10R0.91 CCC#CCC(=O)CSCC 1458a_100000230394_100009813939 [0,2,0,0,0,0|1,0,1]=4 7845 B10R0.91 CCC#CCC(C)OCCC 34a_200000035118_100000210303 [0,2,0,0,0,0|1,0,1]=4 7846 B10R0.91 CCC#CCC(C)OCCC 7a_200000035118_100000210303 [0,2,0,0,0,0|1,0,1]=4 7847 B10R0.91 CCC=CC(=O)C/C=C\CC 1458a_100000212282_100103147603 [0,2,0,0,0,0|1,0,1]=4 7848 B10R0.91 CCC=CC(=O)CCCC#N 1458a_100000212282_100000211468 [0,2,0,0,0,0|1,0,1]=4 7849 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,2,0,0,0,0|1,0,1]=4 7850 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [0,2,0,0,0,0|1,0,1]=4 7851 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [0,2,0,0,0,0|1,0,1]=4 7852 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [0,2,0,0,0,0|1,0,1]=4 7853 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [0,2,0,0,0,0|1,0,1]=4 7854 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [0,2,0,0,0,0|1,0,1]=4 7855 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [0,2,0,0,0,0|1,0,1]=4 7856 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [0,2,0,0,0,0|1,0,1]=4 7857 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [0,2,0,0,0,0|1,0,1]=4 7858 B10R0.91 CCC=CC(=O)NCCCF 11a_100015189416_100000212282 [0,2,0,0,0,0|1,0,1]=4 7859 B10R0.91 CCC=CC(=O)NCCCF 1626a_100015189416_100000212282 [0,2,0,0,0,0|1,0,1]=4 7860 B10R0.91 CCC=CC(=O)NCCCF 240690a_100015189416_100000212282 [0,2,0,0,0,0|1,0,1]=4 7861 B10R0.91 CCC=CC(=O)NCCCO 240690a_100000182051_100000212282 [0,2,0,0,0,0|1,0,1]=4 7862 B10R0.91 CCC=CC(=O)NCCOC 1626a_100000209980_100000212282 [0,2,0,0,0,0|1,0,1]=4 7863 B10R0.91 CCC=CC(=O)NCCOC 240690a_100000209980_100000212282 [0,2,0,0,0,0|1,0,1]=4 7864 B10R0.91 CCC=CC(=O)NCCSC 11a_100020590264_100000212282 [0,2,0,0,0,0|1,0,1]=4 7865 B10R0.91 CCC=CC(=O)NCCSC 1626a_100020590264_100000212282 [0,2,0,0,0,0|1,0,1]=4 7866 B10R0.91 CCC=CC(=O)NCCSC 240690a_100020590264_100000212282 [0,2,0,0,0,0|1,0,1]=4 7867 B10R0.91 CCC=CC(=O)NNCCC 22a_100000740057_100000212282 [0,2,0,0,0,0|1,0,1]=4 7868 B10R0.91 CCC=NNC(=O)CCCC 4a_100000189769_100000210100 [0,2,0,0,0,0|1,0,1]=4 7869 B10R0.91 CCC=NNC(=O)CCOC 4a_100011260505_100000210100 [0,2,0,0,0,0|1,0,1]=4 7870 B10R0.91 CCC=NNC(=O)COCC 4a_100000216846_100000210100 [0,2,0,0,0,0|1,0,1]=4 7871 B10R0.91 CCCC#CC(=O)CCC#N 1458a_200011218047_100011215226 [0,2,0,0,0,0|1,0,1]=4 7872 B10R0.91 CCCC#CC(=O)CCCC 1458a_200011218047_100000210211 [0,2,0,0,0,0|1,0,0]=3 7873 B10R0.91 CCCC#CC(=O)CCCF 1458a_200011218047_100011934791 [0,2,0,0,0,0|1,0,0]=3 7874 B10R0.91 CCCC#CC(=O)CCCO 1458a_200011218047_100011215043 [0,2,0,0,0,0|1,0,0]=3 7875 B10R0.91 CCCC#CC(=O)CCOC 1458a_200011218047_100000233755 [0,2,0,0,0,0|1,0,0]=3 7876 B10R0.91 CCCC#CC(=O)CCSC 1458a_200011218047_100000751147 [0,2,0,0,0,0|1,0,0]=3 7877 B10R0.91 CCCC#CC(=O)NCCC 240690a_100020643023_200011218047 [0,2,0,0,0,0|1,0,0]=3 7878 B10R0.91 CCCC#CC(=O)NCCF 240690a_100000724931_200011218047 [0,2,0,0,0,0|2,0,0]=4 7879 B10R0.91 CCCC#CC(=O)NCCO 240690a_100000210304_200011218047 [0,2,0,0,0,0|2,0,0]=4 7880 B10R0.91 CCCC#CC(=O)NNCC 22a_100000756455_200011218047 [0,2,0,0,0,0|2,0,0]=4 7881 B10R0.91 CCCC=CC(=O)CCC#N 1458a_100000212230_100011215226 [0,2,0,0,0,0|1,0,1]=4 7882 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [0,2,0,0,0,0|1,0,0]=3 7883 B10R0.91 CCCC=CC(=O)CCCF 1458a_100000212230_100011934791 [0,2,0,0,0,0|1,0,0]=3 7884 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [0,2,0,0,0,0|1,0,0]=3 7885 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [0,2,0,0,0,0|1,0,0]=3 7886 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [0,2,0,0,0,0|1,0,0]=3 7887 B10R0.91 CCCC=CC(=O)NCCC 11a_100020643023_100000212230 [0,2,0,0,0,0|1,0,0]=3 7888 B10R0.91 CCCC=CC(=O)NCCC 1626a_100020643023_100000212230 [0,2,0,0,0,0|1,0,0]=3 7889 B10R0.91 CCCC=CC(=O)NCCC 240690a_100020643023_100000212230 [0,2,0,0,0,0|1,0,0]=3 7890 B10R0.91 CCCC=CC(=O)NCCF 11a_100000724931_100000212230 [0,2,0,0,0,0|2,0,0]=4 7891 B10R0.91 CCCC=CC(=O)NCCF 1626a_100000724931_100000212230 [0,2,0,0,0,0|2,0,0]=4 7892 B10R0.91 CCCC=CC(=O)NCCF 240690a_100000724931_100000212230 [0,2,0,0,0,0|2,0,0]=4 7893 B10R0.91 CCCC=CC(=O)NCCO 240690a_100000210304_100000212230 [0,2,0,0,0,0|2,0,0]=4 7894 B10R0.91 CCCC=CC(=O)NNCC 22a_100000756455_100000212230 [0,2,0,0,0,0|2,0,0]=4 7895 B10R0.91 CCCCC(=NNCCC)C 4a_100000740057_100000210087 [0,2,0,0,0,0|2,0,0]=4 7896 B10R0.91 CCCCC(=O)C=CCOC 1458a_100016285016_100000210211 [0,2,0,0,0,0|1,0,1]=4 7897 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [0,2,0,0,0,0|1,0,1]=4 7898 B10R0.91 CCCCC(=O)CC#CCO 1458a_100000210183_200000047223 [0,2,0,0,0,0|1,0,1]=4 7899 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [0,2,0,0,0,0|1,0,0]=3 7900 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [0,2,0,0,0,0|1,0,0]=3 7901 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [0,2,0,0,0,0|1,0,0]=3 7902 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,2,0,0,0,0|1,0,0]=3 7903 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,2,0,0,0,0|1,0,0]=3 7904 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,2,0,0,0,0|1,0,0]=3 7905 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,2,0,0,0,0|1,0,0]=3 7906 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,2,0,0,0,0|1,0,0]=3 7907 B10R0.91 CCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210211 [0,2,0,0,0,0|2,0,0]=4 7908 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,2,0,0,0,0|1,0,0]=3 7909 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,2,0,0,0,0|1,0,0]=3 7910 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [0,2,0,0,0,0|1,0,0]=3 7911 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [0,2,0,0,0,0|1,0,0]=3 7912 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [0,2,0,0,0,0|0,0,0]=2 7913 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [0,2,0,0,0,0|1,0,0]=3 7914 B10R0.91 CCCCC(=O)CSCC#N 1458a_100000150266_100000210211 [0,2,0,0,0,0|1,0,1]=4 7915 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [0,2,0,0,0,0|0,1,0]=3 7916 B10R0.91 CCCCC(=O)NCCC#N 11a_100000720768_100000210183 [0,2,0,0,0,0|1,0,1]=4 7917 B10R0.91 CCCCC(=O)NCCC#N 1626a_100000720768_100000210183 [0,2,0,0,0,0|1,0,1]=4 7918 B10R0.91 CCCCC(=O)NCCC#N 240690a_100000720768_100000210183 [0,2,0,0,0,0|1,0,1]=4 7919 B10R0.91 CCCCC(=O)NCCC#N 527a_100000720768_100000210183 [0,2,0,0,0,0|1,0,1]=4 7920 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [0,2,0,0,0,0|1,0,0]=3 7921 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [0,2,0,0,0,0|1,0,0]=3 7922 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [0,2,0,0,0,0|1,0,0]=3 7923 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [0,2,0,0,0,0|1,0,0]=3 7924 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [0,2,0,0,0,0|1,0,0]=3 7925 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [0,2,0,0,0,0|1,0,0]=3 7926 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [0,2,0,0,0,0|1,0,0]=3 7927 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [0,2,0,0,0,0|1,0,0]=3 7928 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [0,2,0,0,0,0|1,0,0]=3 7929 B10R0.91 CCCCC(=O)NCCSC 11a_100020590264_100000210183 [0,2,0,0,0,0|1,0,0]=3 7930 B10R0.91 CCCCC(=O)NCCSC 1626a_100020590264_100000210183 [0,2,0,0,0,0|1,0,0]=3 7931 B10R0.91 CCCCC(=O)NCCSC 240690a_100020590264_100000210183 [0,2,0,0,0,0|1,0,0]=3 7932 B10R0.91 CCCCC(=O)NCCSC 527a_100020590264_100000210183 [0,2,0,0,0,0|1,0,0]=3 7933 B10R0.91 CCCCC(=O)NNCCC 22a_100000740057_100000210183 [0,2,0,0,0,0|1,0,0]=3 7934 B10R0.91 CCCCC(=O)NNCCO 22a_100000210001_100000210183 [0,2,0,0,0,0|2,0,0]=4 7935 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [0,2,0,0,0,0|1,0,1]=4 7936 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [0,2,0,0,0,0|1,0,1]=4 7937 B10R0.91 CCCCC(C)OCCCBr 34a_100011217188_200011215066 [0,2,0,0,0,0|1,0,1]=4 7938 B10R0.91 CCCCC(C)OCCCCl 34a_100000230001_200011215066 [0,2,0,0,0,0|1,0,1]=4 7939 B10R0.91 CCCCC(C)OCCCF 34a_100000687866_100011934791 [0,2,0,0,0,0|1,0,1]=4 7940 B10R0.91 CCCCC(C)OCCCF 34a_100000759539_200011215066 [0,2,0,0,0,0|1,0,1]=4 7941 B10R0.91 CCCCC(C)OCCCF 7a_100000687866_100011934791 [0,2,0,0,0,0|1,0,1]=4 7942 B10R0.91 CCCCC(C)OCCCN 34a_100000182051_200011215066 [0,2,0,0,0,0|1,0,1]=4 7943 B10R0.91 CCCCC(C)OCCCO 34a_100000687866_100000230001 [0,2,0,0,0,0|1,0,1]=4 7944 B10R0.91 CCCCC(C)OCCCO 7a_100000687866_100011215043 [0,2,0,0,0,0|1,0,1]=4 7945 B10R0.91 CCCCC(C)OCCOC 34a_100000210237_200011215066 [0,2,0,0,0,0|1,0,1]=4 7946 B10R0.91 CCCCC(C)OCCOC 34a_100000687866_100011201679 [0,2,0,0,0,0|1,0,1]=4 7947 B10R0.91 CCCCC(C)OCCOC 7a_100000687866_100000233755 [0,2,0,0,0,0|1,0,1]=4 7948 B10R0.91 CCCCC(C)OCCSC 34a_100000230434_200011215066 [0,2,0,0,0,0|1,0,1]=4 7949 B10R0.91 CCCCC(C)OCCSC 34a_100000687866_100000212216 [0,2,0,0,0,0|1,0,1]=4 7950 B10R0.91 CCCCC(C)OCCSC 7a_100000230434_200011215066 [0,2,0,0,0,0|1,0,1]=4 7951 B10R0.91 CCCCC(C)OCCSC 7a_100000687866_100000212216 [0,2,0,0,0,0|1,0,1]=4 7952 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,2,0,0,0,0|1,0,1]=4 7953 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,2,0,0,0,0|1,0,1]=4 7954 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,2,0,0,0,0|1,0,0]=3 7955 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,2,0,0,0,0|1,0,0]=3 7956 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,2,0,0,0,0|1,0,0]=3 7957 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,2,0,0,0,0|1,0,0]=3 7958 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,2,0,0,0,0|1,0,0]=3 7959 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,2,0,0,0,0|1,0,0]=3 7960 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,2,0,0,0,0|1,0,0]=3 7961 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,2,0,0,0,0|1,0,0]=3 7962 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,2,0,0,0,0|1,0,0]=3 7963 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,2,0,0,0,0|1,0,0]=3 7964 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,2,0,0,0,0|1,0,0]=3 7965 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,2,0,0,0,0|1,0,0]=3 7966 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,2,0,0,0,0|1,0,0]=3 7967 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,2,0,0,0,0|1,0,0]=3 7968 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [0,2,0,0,0,0|2,0,0]=4 7969 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [0,2,0,0,0,0|2,0,0]=4 7970 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,2,0,0,0,0|1,0,0]=3 7971 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,2,0,0,0,0|1,0,0]=3 7972 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,2,0,0,0,0|1,0,0]=3 7973 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,2,0,0,0,0|1,0,0]=3 7974 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,2,0,0,0,0|2,0,0]=4 7975 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,2,0,0,0,0|2,0,0]=4 7976 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,2,0,0,0,0|2,0,0]=4 7977 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,2,0,0,0,0|2,0,0]=4 7978 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,2,0,0,0,0|2,0,0]=4 7979 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,2,0,0,0,0|2,0,0]=4 7980 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,2,0,0,0,0|2,0,0]=4 7981 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [0,2,0,0,0,0|1,0,1]=4 7982 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [0,2,0,0,0,0|1,0,1]=4 7983 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [0,2,0,0,0,0|1,0,1]=4 7984 B10R0.91 CCCCNC(=O)CCC#N 11a_100000102301_100011934036 [0,2,0,0,0,0|1,0,1]=4 7985 B10R0.91 CCCCNC(=O)CCC#N 1626a_100000102301_100011934036 [0,2,0,0,0,0|1,0,1]=4 7986 B10R0.91 CCCCNC(=O)CCC#N 240690a_100000102301_100011934036 [0,2,0,0,0,0|1,0,1]=4 7987 B10R0.91 CCCCNC(=O)CCC#N 527a_100000102301_100011934036 [0,2,0,0,0,0|1,0,1]=4 7988 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [0,2,0,0,0,0|1,0,0]=3 7989 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [0,2,0,0,0,0|1,0,0]=3 7990 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [0,2,0,0,0,0|1,0,0]=3 7991 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [0,2,0,0,0,0|1,0,0]=3 7992 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [0,2,0,0,0,0|1,0,0]=3 7993 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [0,2,0,0,0,0|1,0,0]=3 7994 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [0,2,0,0,0,0|1,0,0]=3 7995 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [0,2,0,0,0,0|1,0,0]=3 7996 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [0,2,0,0,0,0|1,0,0]=3 7997 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [0,2,0,0,0,0|1,0,0]=3 7998 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [0,2,0,0,0,0|1,0,0]=3 7999 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [0,2,0,0,0,0|1,0,0]=3 8000 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [0,2,0,0,0,0|1,0,0]=3 8001 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [0,2,0,0,0,0|1,0,0]=3 8002 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [0,2,0,0,0,0|1,0,0]=3 8003 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [0,2,0,0,0,0|1,0,0]=3 8004 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [0,2,0,0,0,0|1,0,0]=3 8005 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [0,2,0,0,0,0|1,0,0]=3 8006 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [0,2,0,0,0,0|1,0,0]=3 8007 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [0,2,0,0,0,0|1,0,0]=3 8008 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [0,2,0,0,0,0|1,0,0]=3 8009 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [0,2,0,0,0,0|1,0,0]=3 8010 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [0,2,0,0,0,0|1,0,0]=3 8011 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [0,2,0,0,0,0|1,0,0]=3 8012 B10R0.91 CCCCNC(=O)CSCF 62a_100000182744_100015361967 [0,2,0,0,0,0|2,0,0]=4 8013 B10R0.91 CCCCNC(=O)CSCF 62a_100015361967_100000182744 [0,2,0,0,0,0|2,0,0]=4 8014 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [0,2,0,0,0,0|1,0,0]=3 8015 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [0,2,0,0,0,0|1,0,0]=3 8016 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [0,2,0,0,0,0|1,0,0]=3 8017 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [0,2,0,0,0,0|1,0,0]=3 8018 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [0,2,0,0,0,0|1,0,0]=3 8019 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [0,2,0,0,0,0|1,0,0]=3 8020 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [0,2,0,0,0,0|2,0,0]=4 8021 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [0,2,0,0,0,0|2,0,0]=4 8022 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [0,2,0,0,0,0|2,0,0]=4 8023 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [0,2,0,0,0,0|2,0,0]=4 8024 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [0,2,0,0,0,0|2,0,0]=4 8025 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [0,2,0,0,0,0|2,0,0]=4 8026 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [0,2,0,0,0,0|2,0,0]=4 8027 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [0,2,0,0,0,0|2,0,0]=4 8028 B10R0.91 CCCCNC(=O)NNCC 273464a_100000102301_100000756455 [0,2,0,0,0,0|2,0,0]=4 8029 B10R0.91 CCCCNC(=O)NNCC 512a_100000102301_100000756455 [0,2,0,0,0,0|2,0,0]=4 8030 B10R0.91 CCCCNC(=O)NNCC 512a_100000756455_100000102301 [0,2,0,0,0,0|2,0,0]=4 8031 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [0,2,0,0,0,0|0,0,0]=2 8032 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [0,2,0,0,0,0|0,0,0]=2 8033 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [0,2,0,0,0,0|0,0,0]=2 8034 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [0,2,0,0,0,0|0,0,0]=2 8035 B10R0.91 CCCCOC(=O)CSCF 62a_100000211628_100015361967 [0,2,0,0,0,0|1,0,0]=3 8036 B10R0.91 CCCCOC(=O)CSCF 62a_100015361967_100000211628 [0,2,0,0,0,0|1,0,0]=3 8037 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [0,2,0,0,0,0|1,0,1]=4 8038 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [0,2,0,0,0,0|1,0,1]=4 8039 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [0,2,0,0,0,0|1,0,1]=4 8040 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [0,2,0,0,0,0|1,0,1]=4 8041 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [0,2,0,0,0,0|1,0,1]=4 8042 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [0,2,0,0,0,0|1,0,1]=4 8043 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [0,2,0,0,0,0|1,0,1]=4 8044 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [0,2,0,0,0,0|1,0,1]=4 8045 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [0,2,0,0,0,0|1,0,1]=4 8046 B10R0.91 CCCNC(=O)C=CCOC 11a_100020643023_100016285016 [0,2,0,0,0,0|1,0,1]=4 8047 B10R0.91 CCCNC(=O)C=CCOC 1626a_100020643023_100016285016 [0,2,0,0,0,0|1,0,1]=4 8048 B10R0.91 CCCNC(=O)C=CCOC 240690a_100020643023_100016285016 [0,2,0,0,0,0|1,0,1]=4 8049 B10R0.91 CCCNC(=O)C=COCC 11a_100020643023_100016266692 [0,2,0,0,0,0|1,0,1]=4 8050 B10R0.91 CCCNC(=O)C=COCC 1626a_100020643023_100016266692 [0,2,0,0,0,0|1,0,1]=4 8051 B10R0.91 CCCNC(=O)C=COCC 240690a_100020643023_100016266692 [0,2,0,0,0,0|1,0,1]=4 8052 B10R0.91 CCCNC(=O)CCCC#N 11a_100020643023_100000075515 [0,2,0,0,0,0|1,0,0]=3 8053 B10R0.91 CCCNC(=O)CCCC#N 1626a_100020643023_100000075515 [0,2,0,0,0,0|1,0,0]=3 8054 B10R0.91 CCCNC(=O)CCCC#N 240690a_100020643023_100000075515 [0,2,0,0,0,0|1,0,0]=3 8055 B10R0.91 CCCNC(=O)CCCC#N 527a_100020643023_100000075515 [0,2,0,0,0,0|1,0,0]=3 8056 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [0,2,0,0,0,0|1,0,0]=3 8057 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [0,2,0,0,0,0|1,0,0]=3 8058 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [0,2,0,0,0,0|1,0,0]=3 8059 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [0,2,0,0,0,0|1,0,0]=3 8060 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [0,2,0,0,0,0|1,0,0]=3 8061 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [0,2,0,0,0,0|1,0,0]=3 8062 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [0,2,0,0,0,0|1,0,0]=3 8063 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [0,2,0,0,0,0|1,0,0]=3 8064 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [0,2,0,0,0,0|1,0,0]=3 8065 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [0,2,0,0,0,0|1,0,0]=3 8066 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [0,2,0,0,0,0|1,0,0]=3 8067 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [0,2,0,0,0,0|1,0,0]=3 8068 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [0,2,0,0,0,0|1,0,0]=3 8069 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [0,2,0,0,0,0|1,0,0]=3 8070 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [0,2,0,0,0,0|1,0,0]=3 8071 B10R0.91 CCCNC(=O)CCN=[N+]=[N-] 11a_100020643023_100000688302 [0,2,0,0,0,0|2,0,0]=4 8072 B10R0.91 CCCNC(=O)CCN=[N+]=[N-] 240690a_100020643023_100000688302 [0,2,0,0,0,0|2,0,0]=4 8073 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [0,2,0,0,0,0|1,0,0]=3 8074 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [0,2,0,0,0,0|1,0,0]=3 8075 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [0,2,0,0,0,0|1,0,0]=3 8076 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [0,2,0,0,0,0|1,0,0]=3 8077 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [0,2,0,0,0,0|1,0,0]=3 8078 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [0,2,0,0,0,0|1,0,0]=3 8079 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [0,2,0,0,0,0|1,0,0]=3 8080 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [0,2,0,0,0,0|1,0,0]=3 8081 B10R0.91 CCCNC(=O)CNCC#N 2230a_100000174927_100011215382 [0,2,0,0,0,0|1,0,1]=4 8082 B10R0.91 CCCNC(=O)CNCC=O 2230a_100000174927_200015260668 [0,2,0,0,0,0|1,0,1]=4 8083 B10R0.91 CCCNC(=O)CNCCF 2230a_100000174927_100011217306 [0,2,0,0,0,0|1,0,0]=3 8084 B10R0.91 CCCNC(=O)CNCCF 34a_100000724931_100000183358 [0,2,0,0,0,0|1,0,0]=3 8085 B10R0.91 CCCNC(=O)CNCCO 2230a_100000174927_100000211926 [0,2,0,0,0,0|1,0,0]=3 8086 B10R0.91 CCCNC(=O)CNCCO 2230a_100016997473_100000183358 [0,2,0,0,0,0|1,0,0]=3 8087 B10R0.91 CCCNC(=O)CNCCO 34a_100016990907_100000183358 [0,2,0,0,0,0|1,0,0]=3 8088 B10R0.91 CCCNC(=O)CNCOC 2230a_100000174927_100000766300 [0,2,0,0,0,0|1,0,0]=3 8089 B10R0.91 CCCNC(=O)CNCSC 2230a_100000174927_100011218213 [0,2,0,0,0,0|1,0,0]=3 8090 B10R0.91 CCCNC(=O)COCCBr 34a_100000211926_100000183358 [0,2,0,0,0,0|1,0,0]=3 8091 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [0,2,0,0,0,0|0,0,0]=2 8092 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [0,2,0,0,0,0|0,0,0]=2 8093 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [0,2,0,0,0,0|0,0,0]=2 8094 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [0,2,0,0,0,0|0,0,0]=2 8095 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [0,2,0,0,0,0|0,0,0]=2 8096 B10R0.91 CCCNC(=O)COCCN 34a_100000210304_100000183358 [0,2,0,0,0,0|1,0,0]=3 8097 B10R0.91 CCCNC(=O)COCCO 1626a_100020643023_100000708028 [0,2,0,0,0,0|1,0,0]=3 8098 B10R0.91 CCCNC(=O)COCCO 240690a_100020643023_100000708028 [0,2,0,0,0,0|1,0,0]=3 8099 B10R0.91 CCCNC(=O)CSCC#N 11a_100020643023_100000150266 [0,2,0,0,0,0|1,0,1]=4 8100 B10R0.91 CCCNC(=O)CSCC#N 1626a_100020643023_100000150266 [0,2,0,0,0,0|1,0,1]=4 8101 B10R0.91 CCCNC(=O)CSCC#N 240690a_100020643023_100000150266 [0,2,0,0,0,0|1,0,1]=4 8102 B10R0.91 CCCNC(=O)CSCC#N 62a_100000183358_100011215382 [0,2,0,0,0,0|1,0,1]=4 8103 B10R0.91 CCCNC(=O)CSCC#N 62a_100011215382_100000183358 [0,2,0,0,0,0|1,0,1]=4 8104 B10R0.91 CCCNC(=O)CSCC=O 62a_100000183358_200015260668 [0,2,0,0,0,0|1,0,1]=4 8105 B10R0.91 CCCNC(=O)CSCC=O 62a_200015260668_100000183358 [0,2,0,0,0,0|1,0,1]=4 8106 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [0,2,0,0,0,0|0,1,0]=3 8107 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [0,2,0,0,0,0|0,1,0]=3 8108 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [0,2,0,0,0,0|0,1,0]=3 8109 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [0,2,0,0,0,0|0,1,0]=3 8110 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [0,2,0,0,0,0|0,1,0]=3 8111 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [0,2,0,0,0,0|0,1,0]=3 8112 B10R0.91 CCCNC(=O)CSCCF 62a_100000183358_100011217306 [0,2,0,0,0,0|1,0,0]=3 8113 B10R0.91 CCCNC(=O)CSCCF 62a_100011217306_100000183358 [0,2,0,0,0,0|1,0,0]=3 8114 B10R0.91 CCCNC(=O)CSCCO 62a_100000183358_100000211926 [0,2,0,0,0,0|1,0,0]=3 8115 B10R0.91 CCCNC(=O)CSCCO 62a_100000211926_100000183358 [0,2,0,0,0,0|1,0,0]=3 8116 B10R0.91 CCCNC(=O)CSCOC 62a_100000183358_100000766300 [0,2,0,0,0,0|1,0,0]=3 8117 B10R0.91 CCCNC(=O)CSCOC 62a_100000766300_100000183358 [0,2,0,0,0,0|1,0,0]=3 8118 B10R0.91 CCCNC(=O)CSCSC 62a_100000183358_100011218213 [0,2,0,0,0,0|1,0,0]=3 8119 B10R0.91 CCCNC(=O)CSCSC 62a_100011218213_100000183358 [0,2,0,0,0,0|1,0,0]=3 8120 B10R0.91 CCCNC(=O)NCCC#N 2708a_100000720768_100020643023 [0,2,0,0,0,0|1,0,1]=4 8121 B10R0.91 CCCNC(=O)NCCC#N 2708a_100020643023_100000720768 [0,2,0,0,0,0|1,0,1]=4 8122 B10R0.91 CCCNC(=O)NCCC#N 273464a_100000720768_100020643023 [0,2,0,0,0,0|1,0,1]=4 8123 B10R0.91 CCCNC(=O)NCCC#N 273464a_100020643023_100000720768 [0,2,0,0,0,0|1,0,1]=4 8124 B10R0.91 CCCNC(=O)NCCC#N 512a_100000720768_100020643023 [0,2,0,0,0,0|1,0,1]=4 8125 B10R0.91 CCCNC(=O)NCCC#N 512a_100020643023_100000720768 [0,2,0,0,0,0|1,0,1]=4 8126 B10R0.91 CCCNC(=O)NCCCF 2708a_100015189416_100020643023 [0,2,0,0,0,0|1,0,0]=3 8127 B10R0.91 CCCNC(=O)NCCCF 2708a_100020643023_100015189416 [0,2,0,0,0,0|1,0,0]=3 8128 B10R0.91 CCCNC(=O)NCCCF 273464a_100015189416_100020643023 [0,2,0,0,0,0|1,0,0]=3 8129 B10R0.91 CCCNC(=O)NCCCF 273464a_100020643023_100015189416 [0,2,0,0,0,0|1,0,0]=3 8130 B10R0.91 CCCNC(=O)NCCCF 512a_100015189416_100020643023 [0,2,0,0,0,0|1,0,0]=3 8131 B10R0.91 CCCNC(=O)NCCCF 512a_100020643023_100015189416 [0,2,0,0,0,0|1,0,0]=3 8132 B10R0.91 CCCNC(=O)NCCCO 2708a_100020643023_100000182051 [0,2,0,0,0,0|1,0,0]=3 8133 B10R0.91 CCCNC(=O)NCCCO 273464a_100000182051_100020643023 [0,2,0,0,0,0|1,0,0]=3 8134 B10R0.91 CCCNC(=O)NCCCO 273464a_100020643023_100000182051 [0,2,0,0,0,0|1,0,0]=3 8135 B10R0.91 CCCNC(=O)NCCCO 512a_100020643023_100000182051 [0,2,0,0,0,0|1,0,0]=3 8136 B10R0.91 CCCNC(=O)NCCOC 2708a_100020643023_100000209980 [0,2,0,0,0,0|1,0,0]=3 8137 B10R0.91 CCCNC(=O)NCCOC 273464a_100000209980_100020643023 [0,2,0,0,0,0|1,0,0]=3 8138 B10R0.91 CCCNC(=O)NCCOC 273464a_100020643023_100000209980 [0,2,0,0,0,0|1,0,0]=3 8139 B10R0.91 CCCNC(=O)NCCSC 2708a_100020590264_100020643023 [0,2,0,0,0,0|1,0,0]=3 8140 B10R0.91 CCCNC(=O)NCCSC 2708a_100020643023_100020590264 [0,2,0,0,0,0|1,0,0]=3 8141 B10R0.91 CCCNC(=O)NCCSC 273464a_100020590264_100020643023 [0,2,0,0,0,0|1,0,0]=3 8142 B10R0.91 CCCNC(=O)NCCSC 273464a_100020643023_100020590264 [0,2,0,0,0,0|1,0,0]=3 8143 B10R0.91 CCCNC(=O)NCCSC 512a_100020590264_100020643023 [0,2,0,0,0,0|1,0,0]=3 8144 B10R0.91 CCCNC(=O)NCCSC 512a_100020643023_100020590264 [0,2,0,0,0,0|1,0,0]=3 8145 B10R0.91 CCCNC(=O)NNCCO 273464a_100020643023_100000210001 [0,2,0,0,0,0|2,0,0]=4 8146 B10R0.91 CCCNC(=O)NNCCO 512a_100020643023_100000210001 [0,2,0,0,0,0|2,0,0]=4 8147 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [0,2,0,0,0,0|1,0,0]=3 8148 B10R0.91 CCCNCC(=O)NCCF 2230a_100000725713_100000210303 [0,2,0,0,0,0|2,0,0]=4 8149 B10R0.91 CCCNCC(C)OCCC 2230a_100015185124_100000210303 [0,2,0,0,0,0|1,0,1]=4 8150 B10R0.91 CCCNCC(C)OCCC 34a_100015185124_100000210303 [0,2,0,0,0,0|1,0,1]=4 8151 B10R0.91 CCCNN=C(C)CCCO 4a_100000740057_100000759063 [0,2,0,0,0,0|2,0,0]=4 8152 B10R0.91 CCCNN=C(C)CCOC 4a_100000740057_100000742357 [0,2,0,0,0,0|2,0,0]=4 8153 B10R0.91 CCCNN=C(C)CCSC 4a_100000740057_100011217047 [0,2,0,0,0,0|2,0,0]=4 8154 B10R0.91 CCCNN=C(C)CSCC 4a_100000740057_200011216171 [0,2,0,0,0,0|2,0,0]=4 8155 B10R0.91 CCCNNC(=O)CCC#N 22a_100000740057_100011934036 [0,2,0,0,0,0|1,0,1]=4 8156 B10R0.91 CCCNNC(=O)CCOC 22a_100000740057_100000749529 [0,2,0,0,0,0|1,0,0]=3 8157 B10R0.91 CCCNNC(=O)CCSC 22a_100000740057_100000174002 [0,2,0,0,0,0|1,0,0]=3 8158 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [0,2,0,0,0,0|1,0,0]=3 8159 B10R0.91 CCCNNC(=O)CSCC 22a_100000740057_100000230394 [0,2,0,0,0,0|1,0,0]=3 8160 B10R0.91 CCCNNC(=O)NCCC 273464a_100020643023_100000740057 [0,2,0,0,0,0|1,0,0]=3 8161 B10R0.91 CCCNNC(=O)NCCC 512a_100000740057_100020643023 [0,2,0,0,0,0|1,0,0]=3 8162 B10R0.91 CCCNNC(=O)NCCC 512a_100020643023_100000740057 [0,2,0,0,0,0|1,0,0]=3 8163 B10R0.91 CCCNNC(=O)NCCF 273464a_100000724931_100000740057 [0,2,0,0,0,0|2,0,0]=4 8164 B10R0.91 CCCNNC(=O)NCCF 512a_100000740057_100000724931 [0,2,0,0,0,0|2,0,0]=4 8165 B10R0.91 CCCNNC(=O)NCCO 273464a_100000210304_100000740057 [0,2,0,0,0,0|2,0,0]=4 8166 B10R0.91 CCCNNC(=O)NCCO 512a_100000740057_100000210304 [0,2,0,0,0,0|2,0,0]=4 8167 B10R0.91 CCCNNC(=O)NNCC 512a_100000740057_100000756455 [0,2,0,0,0,0|2,0,0]=4 8168 B10R0.91 CCCNNC(=O)NNCC 512a_100000756455_100000740057 [0,2,0,0,0,0|2,0,0]=4 8169 B10R0.91 CCCOC(=O)CNCCF 34a_100000724931_200011215008 [0,2,0,0,0,0|0,0,0]=2 8170 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [0,2,0,0,0,0|0,0,0]=2 8171 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [0,2,0,0,0,0|0,0,0]=2 8172 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [0,2,0,0,0,0|0,0,0]=2 8173 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [0,2,0,0,0,0|0,0,0]=2 8174 B10R0.91 CCCOC(=O)CSCC#N 62a_100011215382_200011215008 [0,2,0,0,0,0|0,0,1]=3 8175 B10R0.91 CCCOC(=O)CSCC#N 62a_200011215008_100011215382 [0,2,0,0,0,0|0,0,1]=3 8176 B10R0.91 CCCOC(=O)CSCC=O 62a_200011215008_200015260668 [0,2,0,0,0,0|0,0,1]=3 8177 B10R0.91 CCCOC(=O)CSCC=O 62a_200015260668_200011215008 [0,2,0,0,0,0|0,0,1]=3 8178 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [0,2,0,0,0,0|0,0,0]=2 8179 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [0,2,0,0,0,0|0,0,0]=2 8180 B10R0.91 CCCOC(=O)CSCCF 62a_100011217306_200011215008 [0,2,0,0,0,0|0,0,0]=2 8181 B10R0.91 CCCOC(=O)CSCCF 62a_200011215008_100011217306 [0,2,0,0,0,0|0,0,0]=2 8182 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [0,2,0,0,0,0|0,0,0]=2 8183 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [0,2,0,0,0,0|0,0,0]=2 8184 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [0,2,0,0,0,0|0,0,0]=2 8185 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [0,2,0,0,0,0|0,0,0]=2 8186 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [0,2,0,0,0,0|0,0,0]=2 8187 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [0,2,0,0,0,0|0,0,0]=2 8188 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [0,2,0,0,0,0|0,0,0]=2 8189 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [0,2,0,0,0,0|0,0,0]=2 8190 B10R0.91 CCCOC(=O)OCSCF 62a_100015361967_200000139673 [0,2,0,0,0,0|1,0,0]=3 8191 B10R0.91 CCCOC(C)CCCOC 34a_200011539412_100000210303 [0,2,0,0,0,0|1,0,1]=4 8192 B10R0.91 CCCOC(C)CCCOC 7a_200011539412_100000210303 [0,2,0,0,0,0|1,0,1]=4 8193 B10R0.91 CCCOC(C)CNCCF 2230a_100015185124_100011217306 [0,2,0,0,0,0|1,0,1]=4 8194 B10R0.91 CCCOC(C)CNCCF 34a_100015185124_100011217306 [0,2,0,0,0,0|1,0,1]=4 8195 B10R0.91 CCCOC(C)CNCCO 2230a_100015185124_100000211926 [0,2,0,0,0,0|1,0,1]=4 8196 B10R0.91 CCCOC(C)CNCCO 34a_100015185124_100000211926 [0,2,0,0,0,0|1,0,1]=4 8197 B10R0.91 CCCOC(C)CNCOC 2230a_100015185124_100000766300 [0,2,0,0,0,0|1,0,1]=4 8198 B10R0.91 CCCOC(C)CNCSC 2230a_100015185124_100011218213 [0,2,0,0,0,0|1,0,1]=4 8199 B10R0.91 CCCOC(C)CNCSC 34a_100015185124_100011218213 [0,2,0,0,0,0|1,0,1]=4 8200 B10R0.91 CCCOCC(=O)CCC#N 1458a_100000745993_100011215226 [0,2,0,0,0,0|0,0,1]=3 8201 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [0,2,0,0,0,0|0,0,0]=2 8202 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,2,0,0,0,0|0,0,0]=2 8203 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,2,0,0,0,0|0,0,0]=2 8204 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [0,2,0,0,0,0|0,0,0]=2 8205 B10R0.91 CCCOCC(=O)NCC#N 1626a_100000734998_100000745993 [0,2,0,0,0,0|1,0,1]=4 8206 B10R0.91 CCCOCC(=O)NCC#N 527a_100000734998_100000745993 [0,2,0,0,0,0|1,0,1]=4 8207 B10R0.91 CCCOCC(=O)NCCF 11a_100000724931_100000745993 [0,2,0,0,0,0|1,0,0]=3 8208 B10R0.91 CCCOCC(=O)NCCF 1626a_100000724931_100000745993 [0,2,0,0,0,0|1,0,0]=3 8209 B10R0.91 CCCOCC(=O)NCCF 240690a_100000724931_100000745993 [0,2,0,0,0,0|1,0,0]=3 8210 B10R0.91 CCCOCC(=O)NCCF 527a_100000724931_100000745993 [0,2,0,0,0,0|1,0,0]=3 8211 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [0,2,0,0,0,0|1,0,0]=3 8212 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [0,2,0,0,0,0|1,0,0]=3 8213 B10R0.91 CCCOCC(=O)NNCC 22a_100000756455_100000745993 [0,2,0,0,0,0|1,0,0]=3 8214 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,2,0,0,0,0|0,0,0]=2 8215 B10R0.91 CCCOC[C@@H](N)CCSC 34a_100011827619_100000210303 [0,2,0,0,0,0|1,0,1]=4 8216 B10R0.91 CCCSCC(=O)CCC#N 1458a_100000217233_100011215226 [0,2,0,0,0,0|0,1,1]=4 8217 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [0,2,0,0,0,0|0,1,0]=3 8218 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [0,2,0,0,0,0|0,1,0]=3 8219 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [0,2,0,0,0,0|0,1,0]=3 8220 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [0,2,0,0,0,0|0,1,0]=3 8221 B10R0.91 CCCSCC(=O)NCCF 11a_100000724931_100000217233 [0,2,0,0,0,0|1,1,0]=4 8222 B10R0.91 CCCSCC(=O)NCCF 1626a_100000724931_100000217233 [0,2,0,0,0,0|1,1,0]=4 8223 B10R0.91 CCCSCC(=O)NCCF 240690a_100000724931_100000217233 [0,2,0,0,0,0|1,1,0]=4 8224 B10R0.91 CCCSCC(=O)NCCF 527a_100000724931_100000217233 [0,2,0,0,0,0|1,1,0]=4 8225 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [0,2,0,0,0,0|1,1,0]=4 8226 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [0,2,0,0,0,0|1,1,0]=4 8227 B10R0.91 CCCSCC(=O)NNCC 22a_100000756455_100000217233 [0,2,0,0,0,0|1,1,0]=4 8228 B10R0.91 CCNCC(=O)NCCOC 2230a_100000754632_100000210202 [0,2,0,0,0,0|1,0,0]=3 8229 B10R0.91 CCNCC(=O)NCCOC 2230a_100015525214_100000183275 [0,2,0,0,0,0|1,0,0]=3 8230 B10R0.91 CCNCC(=O)OCCOC 2230a_100015525214_200000040189 [0,2,0,0,0,0|0,0,0]=2 8231 B10R0.91 CCNNC(=O)CCCC#N 22a_100000756455_100000075515 [0,2,0,0,0,0|2,0,0]=4 8232 B10R0.91 CCNNC(=O)CCCOC 22a_100000756455_100000741012 [0,2,0,0,0,0|2,0,0]=4 8233 B10R0.91 CCNNC(=O)CCCSC 22a_100000756455_100000173376 [0,2,0,0,0,0|2,0,0]=4 8234 B10R0.91 CCNNC(=O)CCOCC 22a_100000756455_100000749530 [0,2,0,0,0,0|2,0,0]=4 8235 B10R0.91 CCNNC(=O)CCSCC 22a_100000756455_100000230768 [0,2,0,0,0,0|2,0,0]=4 8236 B10R0.91 CCNNC(=O)NCCCF 273464a_100015189416_100000756455 [0,2,0,0,0,0|2,0,0]=4 8237 B10R0.91 CCNNC(=O)NCCCF 512a_100000756455_100015189416 [0,2,0,0,0,0|2,0,0]=4 8238 B10R0.91 CCNNC(=O)NCCCF 512a_100015189416_100000756455 [0,2,0,0,0,0|2,0,0]=4 8239 B10R0.91 CCNNC(=O)NCCCO 273464a_100000182051_100000756455 [0,2,0,0,0,0|2,0,0]=4 8240 B10R0.91 CCNNC(=O)NCCCO 512a_100000756455_100000182051 [0,2,0,0,0,0|2,0,0]=4 8241 B10R0.91 CCNNC(=O)NCCOC 273464a_100000209980_100000756455 [0,2,0,0,0,0|2,0,0]=4 8242 B10R0.91 CCNNC(=O)NCCSC 273464a_100020590264_100000756455 [0,2,0,0,0,0|2,0,0]=4 8243 B10R0.91 CCNNC(=O)NCCSC 512a_100000756455_100020590264 [0,2,0,0,0,0|2,0,0]=4 8244 B10R0.91 CCNNC(=O)NCCSC 512a_100020590264_100000756455 [0,2,0,0,0,0|2,0,0]=4 8245 B10R0.91 CCOC=CC(=O)CCCF 1458a_100016266692_100011934791 [0,2,0,0,0,0|1,0,1]=4 8246 B10R0.91 CCOC=CC(=O)CCCO 1458a_100016266692_100011215043 [0,2,0,0,0,0|1,0,1]=4 8247 B10R0.91 CCOC=CC(=O)CCOC 1458a_100016266692_100000233755 [0,2,0,0,0,0|1,0,1]=4 8248 B10R0.91 CCOC=CC(=O)CCSC 1458a_100016266692_100000751147 [0,2,0,0,0,0|1,0,1]=4 8249 B10R0.91 CCOCC(=O)CCCC#N 1458a_100000211967_100000211468 [0,2,0,0,0,0|1,0,1]=4 8250 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [0,2,0,0,0,0|1,0,0]=3 8251 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [0,2,0,0,0,0|1,0,0]=3 8252 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [0,2,0,0,0,0|1,0,0]=3 8253 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [0,2,0,0,0,0|1,0,0]=3 8254 B10R0.91 CCOCC(=O)NCCC#N 11a_100000720768_100000211967 [0,2,0,0,0,0|1,0,1]=4 8255 B10R0.91 CCOCC(=O)NCCC#N 1626a_100000720768_100000211967 [0,2,0,0,0,0|1,0,1]=4 8256 B10R0.91 CCOCC(=O)NCCC#N 240690a_100000720768_100000211967 [0,2,0,0,0,0|1,0,1]=4 8257 B10R0.91 CCOCC(=O)NCCC#N 527a_100000720768_100000211967 [0,2,0,0,0,0|1,0,1]=4 8258 B10R0.91 CCOCC(=O)NCCCF 11a_100015189416_100000211967 [0,2,0,0,0,0|1,0,0]=3 8259 B10R0.91 CCOCC(=O)NCCCF 1626a_100015189416_100000211967 [0,2,0,0,0,0|1,0,0]=3 8260 B10R0.91 CCOCC(=O)NCCCF 240690a_100015189416_100000211967 [0,2,0,0,0,0|1,0,0]=3 8261 B10R0.91 CCOCC(=O)NCCCF 527a_100015189416_100000211967 [0,2,0,0,0,0|1,0,0]=3 8262 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [0,2,0,0,0,0|1,0,0]=3 8263 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [0,2,0,0,0,0|1,0,0]=3 8264 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [0,2,0,0,0,0|1,0,0]=3 8265 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [0,2,0,0,0,0|1,0,0]=3 8266 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [0,2,0,0,0,0|1,0,0]=3 8267 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [0,2,0,0,0,0|1,0,0]=3 8268 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [0,2,0,0,0,0|1,0,0]=3 8269 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [0,2,0,0,0,0|1,0,0]=3 8270 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [0,2,0,0,0,0|1,0,0]=3 8271 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [0,2,0,0,0,0|1,0,0]=3 8272 B10R0.91 CCOCC(=O)NNCCO 22a_100000210001_100000211967 [0,2,0,0,0,0|2,0,0]=4 8273 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [0,2,0,0,0,0|0,0,0]=2 8274 B10R0.91 CCOCC(C)OCCCF 34a_100000718985_100011934791 [0,2,0,0,0,0|1,0,1]=4 8275 B10R0.91 CCOCC(C)OCCCF 7a_100000718985_100011934791 [0,2,0,0,0,0|1,0,1]=4 8276 B10R0.91 CCOCC(C)OCCCO 34a_100000718985_100000230001 [0,2,0,0,0,0|1,0,1]=4 8277 B10R0.91 CCOCC(C)OCCCO 7a_100000718985_100011215043 [0,2,0,0,0,0|1,0,1]=4 8278 B10R0.91 CCOCC(C)OCCOC 34a_100000718985_100011201679 [0,2,0,0,0,0|1,0,1]=4 8279 B10R0.91 CCOCC(C)OCCOC 7a_100000718985_100000233755 [0,2,0,0,0,0|1,0,1]=4 8280 B10R0.91 CCOCC(C)OCCSC 34a_100000718985_100000212216 [0,2,0,0,0,0|1,0,1]=4 8281 B10R0.91 CCOCC(C)OCCSC 7a_100000718985_100000212216 [0,2,0,0,0,0|1,0,1]=4 8282 B10R0.91 CCOCCC(=O)CCC#N 1458a_100000749530_100011215226 [0,2,0,0,0,0|1,0,1]=4 8283 B10R0.91 CCOCCC(=O)CCC#N 1458a_100011934036_100011215890 [0,2,0,0,0,0|1,0,1]=4 8284 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [0,2,0,0,0,0|1,0,0]=3 8285 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,2,0,0,0,0|1,0,0]=3 8286 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [0,2,0,0,0,0|1,0,0]=3 8287 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [0,2,0,0,0,0|1,0,0]=3 8288 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [0,2,0,0,0,0|1,0,0]=3 8289 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [0,2,0,0,0,0|1,0,0]=3 8290 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [0,2,0,0,0,0|1,0,0]=3 8291 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [0,2,0,0,0,0|1,0,0]=3 8292 B10R0.91 CCOCCC(=O)NCCF 11a_100000724931_100000749530 [0,2,0,0,0,0|2,0,0]=4 8293 B10R0.91 CCOCCC(=O)NCCF 1626a_100000724931_100000749530 [0,2,0,0,0,0|2,0,0]=4 8294 B10R0.91 CCOCCC(=O)NCCF 240690a_100000724931_100000749530 [0,2,0,0,0,0|2,0,0]=4 8295 B10R0.91 CCOCCC(=O)NCCF 527a_100000724931_100000749530 [0,2,0,0,0,0|2,0,0]=4 8296 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [0,2,0,0,0,0|2,0,0]=4 8297 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [0,2,0,0,0,0|2,0,0]=4 8298 B10R0.91 CCSCC(=O)CCCC#N 1458a_100000230394_100000211468 [0,2,0,0,0,0|1,0,1]=4 8299 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [0,2,0,0,0,0|1,0,0]=3 8300 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [0,2,0,0,0,0|1,0,0]=3 8301 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [0,2,0,0,0,0|1,0,0]=3 8302 B10R0.91 CCSCC(=O)NCCC#N 11a_100000720768_100000230394 [0,2,0,0,0,0|1,0,1]=4 8303 B10R0.91 CCSCC(=O)NCCC#N 1626a_100000720768_100000230394 [0,2,0,0,0,0|1,0,1]=4 8304 B10R0.91 CCSCC(=O)NCCC#N 240690a_100000720768_100000230394 [0,2,0,0,0,0|1,0,1]=4 8305 B10R0.91 CCSCC(=O)NCCC#N 527a_100000720768_100000230394 [0,2,0,0,0,0|1,0,1]=4 8306 B10R0.91 CCSCC(=O)NCCCF 11a_100015189416_100000230394 [0,2,0,0,0,0|1,0,0]=3 8307 B10R0.91 CCSCC(=O)NCCCF 1626a_100015189416_100000230394 [0,2,0,0,0,0|1,0,0]=3 8308 B10R0.91 CCSCC(=O)NCCCF 240690a_100015189416_100000230394 [0,2,0,0,0,0|1,0,0]=3 8309 B10R0.91 CCSCC(=O)NCCCF 527a_100015189416_100000230394 [0,2,0,0,0,0|1,0,0]=3 8310 B10R0.91 CCSCC(=O)NCCCO 240690a_100000182051_100000230394 [0,2,0,0,0,0|1,0,0]=3 8311 B10R0.91 CCSCC(=O)NCCCO 527a_100000182051_100000230394 [0,2,0,0,0,0|1,0,0]=3 8312 B10R0.91 CCSCC(=O)NCCOC 1626a_100000209980_100000230394 [0,2,0,0,0,0|1,0,0]=3 8313 B10R0.91 CCSCC(=O)NCCOC 240690a_100000209980_100000230394 [0,2,0,0,0,0|1,0,0]=3 8314 B10R0.91 CCSCC(=O)NCCOC 527a_100000209980_100000230394 [0,2,0,0,0,0|1,0,0]=3 8315 B10R0.91 CCSCC(=O)NCCOC 62a_100000183275_100000210202 [0,2,0,0,0,0|1,0,0]=3 8316 B10R0.91 CCSCC(=O)NCCOC 62a_100000210202_100000183275 [0,2,0,0,0,0|1,0,0]=3 8317 B10R0.91 CCSCC(=O)NCCSC 11a_100020590264_100000230394 [0,2,0,0,0,0|1,0,0]=3 8318 B10R0.91 CCSCC(=O)NCCSC 1626a_100020590264_100000230394 [0,2,0,0,0,0|1,0,0]=3 8319 B10R0.91 CCSCC(=O)NCCSC 240690a_100020590264_100000230394 [0,2,0,0,0,0|1,0,0]=3 8320 B10R0.91 CCSCC(=O)NCCSC 527a_100020590264_100000230394 [0,2,0,0,0,0|1,0,0]=3 8321 B10R0.91 CCSCC(=O)NNCCO 22a_100000210001_100000230394 [0,2,0,0,0,0|2,0,0]=4 8322 B10R0.91 CCSCC(=O)OCCOC 62a_100000210202_200000040189 [0,2,0,0,0,0|0,0,0]=2 8323 B10R0.91 CCSCC(=O)OCCOC 62a_200000040189_100000210202 [0,2,0,0,0,0|0,0,0]=2 8324 B10R0.91 CCSCCC(=O)CCC#N 1458a_100000230768_100011215226 [0,2,0,0,0,0|1,0,1]=4 8325 B10R0.91 CCSCCC(=O)CCC#N 1458a_100011934036_100000757381 [0,2,0,0,0,0|1,0,1]=4 8326 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [0,2,0,0,0,0|1,0,0]=3 8327 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [0,2,0,0,0,0|1,0,0]=3 8328 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [0,2,0,0,0,0|1,0,0]=3 8329 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [0,2,0,0,0,0|1,0,0]=3 8330 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [0,2,0,0,0,0|1,0,0]=3 8331 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [0,2,0,0,0,0|1,0,0]=3 8332 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [0,2,0,0,0,0|1,0,0]=3 8333 B10R0.91 CCSCCC(=O)NCCF 11a_100000724931_100000230768 [0,2,0,0,0,0|2,0,0]=4 8334 B10R0.91 CCSCCC(=O)NCCF 1626a_100000724931_100000230768 [0,2,0,0,0,0|2,0,0]=4 8335 B10R0.91 CCSCCC(=O)NCCF 240690a_100000724931_100000230768 [0,2,0,0,0,0|2,0,0]=4 8336 B10R0.91 CCSCCC(=O)NCCF 527a_100000724931_100000230768 [0,2,0,0,0,0|2,0,0]=4 8337 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [0,2,0,0,0,0|2,0,0]=4 8338 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [0,2,0,0,0,0|2,0,0]=4 8339 B10R0.91 COCC=CC(=O)CCCF 1458a_100016285016_100011934791 [0,2,0,0,0,0|1,0,1]=4 8340 B10R0.91 COCC=CC(=O)CCCO 1458a_100016285016_100011215043 [0,2,0,0,0,0|1,0,1]=4 8341 B10R0.91 COCC=CC(=O)CCOC 1458a_100016285016_100000233755 [0,2,0,0,0,0|1,0,1]=4 8342 B10R0.91 COCC=CC(=O)CCSC 1458a_100016285016_100000751147 [0,2,0,0,0,0|1,0,1]=4 8343 B10R0.91 COCCC(=O)CCCC#N 1458a_100000075515_100000233755 [0,2,0,0,0,0|1,0,1]=4 8344 B10R0.91 COCCC(=O)CCCC#N 1458a_100000749529_100000211468 [0,2,0,0,0,0|1,0,1]=4 8345 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [0,2,0,0,0,0|1,0,0]=3 8346 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [0,2,0,0,0,0|1,0,0]=3 8347 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [0,2,0,0,0,0|1,0,0]=3 8348 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [0,2,0,0,0,0|1,0,0]=3 8349 B10R0.91 COCCC(=O)COCCO 1458a_100000708028_100000233755 [0,2,0,0,0,0|1,0,0]=3 8350 B10R0.91 COCCC(=O)NCCC#N 11a_100000720768_100000749529 [0,2,0,0,0,0|1,0,1]=4 8351 B10R0.91 COCCC(=O)NCCC#N 1626a_100000720768_100000749529 [0,2,0,0,0,0|1,0,1]=4 8352 B10R0.91 COCCC(=O)NCCC#N 240690a_100000720768_100000749529 [0,2,0,0,0,0|1,0,1]=4 8353 B10R0.91 COCCC(=O)NCCC#N 527a_100000720768_100000749529 [0,2,0,0,0,0|1,0,1]=4 8354 B10R0.91 COCCC(=O)NCCCF 11a_100015189416_100000749529 [0,2,0,0,0,0|1,0,0]=3 8355 B10R0.91 COCCC(=O)NCCCF 1626a_100015189416_100000749529 [0,2,0,0,0,0|1,0,0]=3 8356 B10R0.91 COCCC(=O)NCCCF 240690a_100015189416_100000749529 [0,2,0,0,0,0|1,0,0]=3 8357 B10R0.91 COCCC(=O)NCCCF 527a_100015189416_100000749529 [0,2,0,0,0,0|1,0,0]=3 8358 B10R0.91 COCCC(=O)NCCCO 240690a_100000182051_100000749529 [0,2,0,0,0,0|1,0,0]=3 8359 B10R0.91 COCCC(=O)NCCCO 527a_100000182051_100000749529 [0,2,0,0,0,0|1,0,0]=3 8360 B10R0.91 COCCC(=O)NCCSC 11a_100020590264_100000749529 [0,2,0,0,0,0|1,0,0]=3 8361 B10R0.91 COCCC(=O)NCCSC 1626a_100020590264_100000749529 [0,2,0,0,0,0|1,0,0]=3 8362 B10R0.91 COCCC(=O)NCCSC 240690a_100020590264_100000749529 [0,2,0,0,0,0|1,0,0]=3 8363 B10R0.91 COCCC(=O)NCCSC 527a_100020590264_100000749529 [0,2,0,0,0,0|1,0,0]=3 8364 B10R0.91 COCCC(=O)NNCCO 22a_100000210001_100000749529 [0,2,0,0,0,0|2,0,0]=4 8365 B10R0.91 COCCCC(=O)CCC#N 1458a_100000741012_100011215226 [0,2,0,0,0,0|1,0,1]=4 8366 B10R0.91 COCCCC(=O)CCC#N 1458a_100011934036_100000740836 [0,2,0,0,0,0|1,0,1]=4 8367 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [0,2,0,0,0,0|1,0,0]=3 8368 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [0,2,0,0,0,0|1,0,0]=3 8369 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [0,2,0,0,0,0|1,0,0]=3 8370 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [0,2,0,0,0,0|1,0,0]=3 8371 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [0,2,0,0,0,0|1,0,0]=3 8372 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [0,2,0,0,0,0|1,0,0]=3 8373 B10R0.91 COCCCC(=O)NCCF 11a_100000724931_100000741012 [0,2,0,0,0,0|2,0,0]=4 8374 B10R0.91 COCCCC(=O)NCCF 1626a_100000724931_100000741012 [0,2,0,0,0,0|2,0,0]=4 8375 B10R0.91 COCCCC(=O)NCCF 240690a_100000724931_100000741012 [0,2,0,0,0,0|2,0,0]=4 8376 B10R0.91 COCCCC(=O)NCCF 527a_100000724931_100000741012 [0,2,0,0,0,0|2,0,0]=4 8377 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [0,2,0,0,0,0|2,0,0]=4 8378 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [0,2,0,0,0,0|2,0,0]=4 8379 B10R0.91 COCCNC(=O)CCC#N 1626a_100000209980_100011934036 [0,2,0,0,0,0|1,0,1]=4 8380 B10R0.91 COCCNC(=O)CCC#N 240690a_100000209980_100011934036 [0,2,0,0,0,0|1,0,1]=4 8381 B10R0.91 COCCNC(=O)CCC#N 527a_100000209980_100011934036 [0,2,0,0,0,0|1,0,1]=4 8382 B10R0.91 COCCNC(=O)CCOC 1626a_100000209980_100000749529 [0,2,0,0,0,0|1,0,0]=3 8383 B10R0.91 COCCNC(=O)CCOC 240690a_100000209980_100000749529 [0,2,0,0,0,0|1,0,0]=3 8384 B10R0.91 COCCNC(=O)CCOC 527a_100000209980_100000749529 [0,2,0,0,0,0|1,0,0]=3 8385 B10R0.91 COCCNC(=O)CCSC 1626a_100000209980_100000174002 [0,2,0,0,0,0|1,0,0]=3 8386 B10R0.91 COCCNC(=O)CCSC 240690a_100000209980_100000174002 [0,2,0,0,0,0|1,0,0]=3 8387 B10R0.91 COCCNC(=O)CCSC 527a_100000209980_100000174002 [0,2,0,0,0,0|1,0,0]=3 8388 B10R0.91 COCCNC(=O)CSCF 62a_100000183275_100015361967 [0,2,0,0,0,0|2,0,0]=4 8389 B10R0.91 COCCNC(=O)CSCF 62a_100015361967_100000183275 [0,2,0,0,0,0|2,0,0]=4 8390 B10R0.91 COCCNC(=O)NCCF 273464a_100000209980_100000724931 [0,2,0,0,0,0|2,0,0]=4 8391 B10R0.91 COCCNC(=O)NCCF 273464a_100000724931_100000209980 [0,2,0,0,0,0|2,0,0]=4 8392 B10R0.91 COCCNC(=O)NCCO 273464a_100000209980_100000210304 [0,2,0,0,0,0|2,0,0]=4 8393 B10R0.91 COCCNC(=O)NCCO 273464a_100000210304_100000209980 [0,2,0,0,0,0|2,0,0]=4 8394 B10R0.91 COCCOC(=O)CSCF 62a_100015361967_200000040189 [0,2,0,0,0,0|1,0,0]=3 8395 B10R0.91 COCCOC(=O)CSCF 62a_200000040189_100015361967 [0,2,0,0,0,0|1,0,0]=3 8396 B10R0.91 COCCOC(C)CCCCl 34a_200000718107_100011201679 [0,2,0,0,0,0|1,0,1]=4 8397 B10R0.91 COCCOC(C)CCCCl 7a_200000718107_100000233755 [0,2,0,0,0,0|1,0,1]=4 8398 B10R0.91 COCNCC(=O)NCCF 2230a_100000725713_100000766300 [0,2,0,0,0,0|2,0,0]=4 8399 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000075515_100000751147 [0,2,0,0,0,0|1,0,1]=4 8400 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000174002_100000211468 [0,2,0,0,0,0|1,0,1]=4 8401 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [0,2,0,0,0,0|1,0,0]=3 8402 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [0,2,0,0,0,0|1,0,0]=3 8403 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [0,2,0,0,0,0|1,0,0]=3 8404 B10R0.91 CSCCC(=O)COCCO 1458a_100000708028_100000751147 [0,2,0,0,0,0|1,0,0]=3 8405 B10R0.91 CSCCC(=O)NCCC#N 11a_100000720768_100000174002 [0,2,0,0,0,0|1,0,1]=4 8406 B10R0.91 CSCCC(=O)NCCC#N 1626a_100000720768_100000174002 [0,2,0,0,0,0|1,0,1]=4 8407 B10R0.91 CSCCC(=O)NCCC#N 240690a_100000720768_100000174002 [0,2,0,0,0,0|1,0,1]=4 8408 B10R0.91 CSCCC(=O)NCCC#N 527a_100000720768_100000174002 [0,2,0,0,0,0|1,0,1]=4 8409 B10R0.91 CSCCC(=O)NCCCF 11a_100015189416_100000174002 [0,2,0,0,0,0|1,0,0]=3 8410 B10R0.91 CSCCC(=O)NCCCF 1626a_100015189416_100000174002 [0,2,0,0,0,0|1,0,0]=3 8411 B10R0.91 CSCCC(=O)NCCCF 240690a_100015189416_100000174002 [0,2,0,0,0,0|1,0,0]=3 8412 B10R0.91 CSCCC(=O)NCCCF 527a_100015189416_100000174002 [0,2,0,0,0,0|1,0,0]=3 8413 B10R0.91 CSCCC(=O)NCCCO 240690a_100000182051_100000174002 [0,2,0,0,0,0|1,0,0]=3 8414 B10R0.91 CSCCC(=O)NCCCO 527a_100000182051_100000174002 [0,2,0,0,0,0|1,0,0]=3 8415 B10R0.91 CSCCC(=O)NNCCO 22a_100000210001_100000174002 [0,2,0,0,0,0|2,0,0]=4 8416 B10R0.91 CSCCCC(=O)CCC#N 1458a_100000173376_100011215226 [0,2,0,0,0,0|1,0,1]=4 8417 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [0,2,0,0,0,0|1,0,0]=3 8418 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [0,2,0,0,0,0|1,0,0]=3 8419 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [0,2,0,0,0,0|1,0,0]=3 8420 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [0,2,0,0,0,0|2,0,0]=4 8421 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [0,2,0,0,0,0|2,0,0]=4 8422 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [0,2,0,0,0,0|2,0,0]=4 8423 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [0,2,0,0,0,0|2,0,0]=4 8424 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [0,2,0,0,0,0|2,0,0]=4 8425 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [0,2,0,0,0,0|2,0,0]=4 8426 B10R0.91 CSCCNC(=O)CCC#N 11a_100020590264_100011934036 [0,2,0,0,0,0|1,0,1]=4 8427 B10R0.91 CSCCNC(=O)CCC#N 1626a_100020590264_100011934036 [0,2,0,0,0,0|1,0,1]=4 8428 B10R0.91 CSCCNC(=O)CCC#N 240690a_100020590264_100011934036 [0,2,0,0,0,0|1,0,1]=4 8429 B10R0.91 CSCCNC(=O)CCC#N 527a_100020590264_100011934036 [0,2,0,0,0,0|1,0,1]=4 8430 B10R0.91 CSCCNC(=O)CCSC 11a_100020590264_100000174002 [0,2,0,0,0,0|1,0,0]=3 8431 B10R0.91 CSCCNC(=O)CCSC 1626a_100020590264_100000174002 [0,2,0,0,0,0|1,0,0]=3 8432 B10R0.91 CSCCNC(=O)CCSC 240690a_100020590264_100000174002 [0,2,0,0,0,0|1,0,0]=3 8433 B10R0.91 CSCCNC(=O)CCSC 527a_100020590264_100000174002 [0,2,0,0,0,0|1,0,0]=3 8434 B10R0.91 CSCCNC(=O)NCCF 2708a_100020590264_100000724931 [0,2,0,0,0,0|2,0,0]=4 8435 B10R0.91 CSCCNC(=O)NCCF 273464a_100000724931_100020590264 [0,2,0,0,0,0|2,0,0]=4 8436 B10R0.91 CSCCNC(=O)NCCF 273464a_100020590264_100000724931 [0,2,0,0,0,0|2,0,0]=4 8437 B10R0.91 CSCCNC(=O)NCCF 512a_100020590264_100000724931 [0,2,0,0,0,0|2,0,0]=4 8438 B10R0.91 CSCCNC(=O)NCCO 2708a_100020590264_100000210304 [0,2,0,0,0,0|2,0,0]=4 8439 B10R0.91 CSCCNC(=O)NCCO 273464a_100000210304_100020590264 [0,2,0,0,0,0|2,0,0]=4 8440 B10R0.91 CSCCNC(=O)NCCO 273464a_100020590264_100000210304 [0,2,0,0,0,0|2,0,0]=4 8441 B10R0.91 CSCCNC(=O)NCCO 512a_100020590264_100000210304 [0,2,0,0,0,0|2,0,0]=4 8442 B10R0.91 CSCCOC(C)CCCCl 34a_200000718107_100000212216 [0,2,0,0,0,0|1,0,1]=4 8443 B10R0.91 CSCCOC(C)CCCCl 7a_200000718107_100000212216 [0,2,0,0,0,0|1,0,1]=4 8444 B10R0.91 CSCNCC(=O)NCCF 2230a_100000725713_100011218213 [0,2,0,0,0,0|2,0,0]=4 8445 B10R0.91 N#CCCC(=O)CCCCF 1458a_100011934036_100000729493 [0,2,0,0,0,0|1,0,1]=4 8446 B10R0.91 N#CCCC(=O)CCCCO 1458a_100000695505_100011215226 [0,2,0,0,0,0|1,0,1]=4 8447 B10R0.91 N#CCCC(=O)CCCCO 1458a_100011934036_100000210776 [0,2,0,0,0,0|1,0,1]=4 8448 B10R0.91 N#CCCC(=O)COCCO 1458a_100000708028_100011215226 [0,2,0,0,0,0|1,0,1]=4 8449 B10R0.91 N#CCCC(=O)NCCCF 11a_100015189416_100011934036 [0,2,0,0,0,0|1,0,1]=4 8450 B10R0.91 N#CCCC(=O)NCCCF 1626a_100015189416_100011934036 [0,2,0,0,0,0|1,0,1]=4 8451 B10R0.91 N#CCCC(=O)NCCCF 240690a_100015189416_100011934036 [0,2,0,0,0,0|1,0,1]=4 8452 B10R0.91 N#CCCC(=O)NCCCF 527a_100015189416_100011934036 [0,2,0,0,0,0|1,0,1]=4 8453 B10R0.91 N#CCCC(=O)NCCCO 240690a_100000182051_100011934036 [0,2,0,0,0,0|1,0,1]=4 8454 B10R0.91 N#CCCC(=O)NCCCO 527a_100000182051_100011934036 [0,2,0,0,0,0|1,0,1]=4 8455 B10R0.91 N#CCCCC(=O)CCCF 1458a_100000075515_100011934791 [0,2,0,0,0,0|1,0,1]=4 8456 B10R0.91 N#CCCCC(=O)CCCO 1458a_100000075515_100011215043 [0,2,0,0,0,0|1,0,1]=4 8457 B10R0.91 N#CCCCC(=O)NCCF 11a_100000724931_100000075515 [0,2,0,0,0,0|2,0,0]=4 8458 B10R0.91 N#CCCCC(=O)NCCF 1626a_100000724931_100000075515 [0,2,0,0,0,0|2,0,0]=4 8459 B10R0.91 N#CCCCC(=O)NCCF 240690a_100000724931_100000075515 [0,2,0,0,0,0|2,0,0]=4 8460 B10R0.91 N#CCCCC(=O)NCCF 527a_100000724931_100000075515 [0,2,0,0,0,0|2,0,0]=4 8461 B10R0.91 N#CCCCC(=O)NCCO 240690a_100000210304_100000075515 [0,2,0,0,0,0|2,0,0]=4 8462 B10R0.91 N#CCCCC(=O)NCCO 527a_100000210304_100000075515 [0,2,0,0,0,0|2,0,0]=4 8463 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [0,2,0,0,0,0|2,0,0]=4 8464 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [0,2,0,0,0,0|1,0,0]=3 8465 B10R0.91 O=C(CCCF)COCCO 1458a_100000708028_100011934791 [0,2,0,0,0,0|1,0,0]=3 8466 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [0,2,0,0,0,0|1,0,0]=3 8467 B10R0.91 O=C(CCCO)COCCO 1458a_100000708028_100011215043 [0,2,0,0,0,0|1,0,0]=3 8468 B10R0.91 O=C(CNCCF)NCCF 2230a_100000725713_100011217306 [0,2,0,0,0,0|2,0,0]=4 8469 B10R0.91 O=C(CNCCO)NCCF 2230a_100000725713_100000211926 [0,2,0,0,0,0|2,0,0]=4 8470 B10R0.91 O=C(COCCO)NCCF 1626a_100000724931_100000708028 [0,2,0,0,0,0|2,0,0]=4 8471 B10R0.91 O=C(COCCO)NCCF 240690a_100000724931_100000708028 [0,2,0,0,0,0|2,0,0]=4 8472 B10R0.91 O=C(COCCO)NCCO 240690a_100000210304_100000708028 [0,2,0,0,0,0|2,0,0]=4 8473 B10R0.91 O=C(NCCF)NCCCF 2708a_100015189416_100000724931 [0,2,0,0,0,0|2,0,0]=4 8474 B10R0.91 O=C(NCCF)NCCCF 273464a_100000724931_100015189416 [0,2,0,0,0,0|2,0,0]=4 8475 B10R0.91 O=C(NCCF)NCCCF 273464a_100015189416_100000724931 [0,2,0,0,0,0|2,0,0]=4 8476 B10R0.91 O=C(NCCF)NCCCF 512a_100015189416_100000724931 [0,2,0,0,0,0|2,0,0]=4 8477 B10R0.91 O=C(NCCF)NCCCO 273464a_100000182051_100000724931 [0,2,0,0,0,0|2,0,0]=4 8478 B10R0.91 O=C(NCCF)NCCCO 273464a_100000724931_100000182051 [0,2,0,0,0,0|2,0,0]=4 8479 B10R0.91 O=C(NCCO)NCCCF 2708a_100015189416_100000210304 [0,2,0,0,0,0|2,0,0]=4 8480 B10R0.91 O=C(NCCO)NCCCF 273464a_100000210304_100015189416 [0,2,0,0,0,0|2,0,0]=4 8481 B10R0.91 O=C(NCCO)NCCCF 273464a_100015189416_100000210304 [0,2,0,0,0,0|2,0,0]=4 8482 B10R0.91 O=C(NCCO)NCCCF 512a_100015189416_100000210304 [0,2,0,0,0,0|2,0,0]=4 8483 B10R0.91 O=C(NCCO)NCCCO 273464a_100000182051_100000210304 [0,2,0,0,0,0|2,0,0]=4 8484 B10R0.91 O=C(NCCO)NCCCO 273464a_100000210304_100000182051 [0,2,0,0,0,0|2,0,0]=4 8485 B10R0.108 C#CC(=O)COC(=O)CCC 1458a_100000211873_100000034017 [0,2,0,0,0,0|0,0,2]=4 8486 B10R0.108 C#CC(C)NCC(=O)CCC 2230a_100000707721_100000747444 [0,2,0,0,0,0|2,0,0]=4 8487 B10R0.108 C#CC(C)SCC(=O)CCC 62a_200000035995_100000747444 [0,2,0,0,0,0|2,0,0]=4 8488 B10R0.108 C#C[C@@H](C)OCC(=O)CCC 7a_100009815206_100000747444 [0,2,0,0,0,0|0,0,2]=4 8489 B10R0.108 C=CC(=O)COC(=O)CCC 1458a_100000185746_100000034017 [0,2,0,0,0,0|0,0,2]=4 8490 B10R0.108 C=CC(C)COC(C)CCC 34a_100011215527_100000766640 [0,2,0,0,0,0|1,0,1]=4 8491 B10R0.108 C=CC(C)COC(C)CCC 7a_100011215527_100000766640 [0,2,0,0,0,0|1,0,1]=4 8492 B10R0.108 C=CC(C)SCC(=O)CCC 62a_100011215867_100000747444 [0,2,0,0,0,0|2,0,0]=4 8493 B10R0.108 CC(CO)CNC(=O)CCO 240690a_100000744482_100011216618 [0,2,0,0,0,0|2,0,0]=4 8494 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [0,2,0,0,0,0|2,0,0]=4 8495 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [0,2,0,0,0,0|2,0,0]=4 8496 B10R0.108 CCC(C)CNC(=O)CCO 240690a_100020588543_100011216618 [0,2,0,0,0,0|2,0,0]=4 8497 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [0,2,0,0,0,0|2,0,0]=4 8498 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [0,2,0,0,0,0|2,0,0]=4 8499 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [0,2,0,0,0,0|2,0,0]=4 8500 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [0,2,0,0,0,0|2,0,0]=4 8501 B10R0.108 CCC(C)CNC(=O)CSC 11a_100020588543_100000184570 [0,2,0,0,0,0|2,0,0]=4 8502 B10R0.108 CCC(C)CNC(=O)CSC 1626a_100020588543_100000184570 [0,2,0,0,0,0|2,0,0]=4 8503 B10R0.108 CCC(C)CNC(=O)CSC 240690a_100020588543_100000184570 [0,2,0,0,0,0|2,0,0]=4 8504 B10R0.108 CCC(C)CNC(=O)CSC 527a_100020588543_100000184570 [0,2,0,0,0,0|2,0,0]=4 8505 B10R0.108 CCC(C)NNC(=O)CCO 22a_100000718999_100011216618 [0,2,0,0,0,0|2,0,0]=4 8506 B10R0.108 CCC(C)NNC(=O)COC 22a_100000718999_100000210968 [0,2,0,0,0,0|2,0,0]=4 8507 B10R0.108 CCC(C)NNC(=O)CSC 22a_100000718999_100000184570 [0,2,0,0,0,0|2,0,0]=4 8508 B10R0.108 CCC(C)OCC(=O)NCO 7a_100000210228_100000185155 [0,2,0,0,0,0|2,0,0]=4 8509 B10R0.108 CCC(O)CNC(=O)CCO 240690a_100011218483_100011216618 [0,2,0,0,0,0|2,0,0]=4 8510 B10R0.108 CCC(O)CNC(=O)COC 11a_100011218483_100000210968 [0,2,0,0,0,0|2,0,0]=4 8511 B10R0.108 CCC(O)CNC(=O)COC 240690a_100011218483_100000210968 [0,2,0,0,0,0|2,0,0]=4 8512 B10R0.108 CCC(O)CNC(=O)COC 527a_100011218483_100000210968 [0,2,0,0,0,0|2,0,0]=4 8513 B10R0.108 CCC(O)CNC(=O)CSC 11a_100011218483_100000184570 [0,2,0,0,0,0|2,0,0]=4 8514 B10R0.108 CCC(O)CNC(=O)CSC 240690a_100011218483_100000184570 [0,2,0,0,0,0|2,0,0]=4 8515 B10R0.108 CCC(O)CNC(=O)CSC 527a_100011218483_100000184570 [0,2,0,0,0,0|2,0,0]=4 8516 B10R0.108 CCCC(=NNC(C)CC)C 4a_100000718999_100000211909 [0,2,0,0,0,0|2,0,0]=4 8517 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,2,0,0,0,0|1,0,1]=4 8518 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,2,0,0,0,0|1,0,1]=4 8519 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,2,0,0,0,0|1,0,0]=3 8520 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [0,2,0,0,0,0|1,0,0]=3 8521 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [0,2,0,0,0,0|1,0,0]=3 8522 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [0,2,0,0,0,0|1,0,1]=4 8523 B10R0.108 CCCC(=O)CNC(C)C#N 2230a_100000737613_100000747444 [0,2,0,0,0,0|2,0,0]=4 8524 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [0,2,0,0,0,0|1,0,0]=3 8525 B10R0.108 CCCC(=O)CN[C@H](C)CO 2230a_100000737577_100000747444 [0,2,0,0,0,0|2,0,0]=4 8526 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [0,2,0,0,0,0|0,0,0]=2 8527 B10R0.108 CCCC(=O)COC(C)CF 7a_100016041109_100000747444 [0,2,0,0,0,0|1,0,0]=3 8528 B10R0.108 CCCC(=O)CSC(C)C#N 62a_100000703298_100000747444 [0,2,0,0,0,0|2,0,0]=4 8529 B10R0.108 CCCC(=O)CSC(C)C#N 62a_100000747444_100000703298 [0,2,0,0,0,0|2,0,0]=4 8530 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [0,2,0,0,0,0|0,1,0]=3 8531 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [0,2,0,0,0,0|0,1,0]=3 8532 B10R0.108 CCCC(=O)CSC(C)CO 62a_100012180447_100000747444 [0,2,0,0,0,0|1,1,0]=4 8533 B10R0.108 CCCC(=O)CSC(C)OC 62a_100000747444_100009879195 [0,2,0,0,0,0|1,1,0]=4 8534 B10R0.108 CCCC(=O)CSC(C)OC 62a_100009879195_100000747444 [0,2,0,0,0,0|1,1,0]=4 8535 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100000747444_100016084084 [0,2,0,0,0,0|1,1,0]=4 8536 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100016084084_100000747444 [0,2,0,0,0,0|1,1,0]=4 8537 B10R0.108 CCCC(=O)NCC(=O)NC 11a_100000693194_100000211992 [0,2,0,0,0,0|1,0,1]=4 8538 B10R0.108 CCCC(=O)NCC(=O)NC 240690a_100000693194_100000211992 [0,2,0,0,0,0|1,0,1]=4 8539 B10R0.108 CCCC(=O)NCC(=O)NC 527a_100000693194_100000211992 [0,2,0,0,0,0|1,0,1]=4 8540 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [0,2,0,0,0,0|1,0,1]=4 8541 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [0,2,0,0,0,0|1,0,0]=3 8542 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [0,2,0,0,0,0|1,0,0]=3 8543 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [0,2,0,0,0,0|1,0,0]=3 8544 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [0,2,0,0,0,0|1,0,0]=3 8545 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [0,2,0,0,0,0|1,0,0]=3 8546 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [0,2,0,0,0,0|1,0,0]=3 8547 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [0,2,0,0,0,0|1,0,0]=3 8548 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [0,2,0,0,0,0|1,0,0]=3 8549 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [0,2,0,0,0,0|1,0,0]=3 8550 B10R0.108 CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211992 [0,2,0,0,0,0|1,0,0]=3 8551 B10R0.108 CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211992 [0,2,0,0,0,0|1,0,0]=3 8552 B10R0.108 CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211992 [0,2,0,0,0,0|1,0,0]=3 8553 B10R0.108 CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211992 [0,2,0,0,0,0|1,0,0]=3 8554 B10R0.108 CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211992 [0,2,0,0,0,0|1,0,0]=3 8555 B10R0.108 CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211992 [0,2,0,0,0,0|1,0,0]=3 8556 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [0,2,0,0,0,0|1,0,0]=3 8557 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [0,2,0,0,0,0|1,0,0]=3 8558 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000183195_100000211992 [0,2,0,0,0,0|1,0,1]=4 8559 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000189770_100000210414 [0,2,0,0,0,0|1,0,1]=4 8560 B10R0.108 CCCC(=O)NNC(C)CC 22a_100000718999_100000211992 [0,2,0,0,0,0|1,0,0]=3 8561 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [0,2,0,0,0,0|0,0,0]=2 8562 B10R0.108 CCCC(=O)OCC(=O)CO 1458a_100000210174_100000034017 [0,2,0,0,0,0|0,0,1]=3 8563 B10R0.108 CCCC(=O)OCN(C)CC 2230a_100000225621_100000034017 [0,2,0,0,0,0|0,0,0]=2 8564 B10R0.108 CCCC(=O)OCN(C)CC 269982a_100000225621_100000034017 [0,2,0,0,0,0|0,0,0]=2 8565 B10R0.108 CCCC(C)COC(C)CC 34a_100000688023_100011215416 [0,2,0,0,0,0|1,0,1]=4 8566 B10R0.108 CCCC(C)COC(C)CC 7a_100000210228_100011216630 [0,2,0,0,0,0|1,0,1]=4 8567 B10R0.108 CCCC(C)COC(C)CC 7a_100000688023_100000758301 [0,2,0,0,0,0|1,0,1]=4 8568 B10R0.108 CCCC(C)OCC(=O)CC 34a_100000725409_100000766640 [0,2,0,0,0,0|1,0,1]=4 8569 B10R0.108 CCCC(C)OCC(=O)CC 7a_100000764384_100000747405 [0,2,0,0,0,0|1,0,1]=4 8570 B10R0.108 CCCC(C)OCC(C)CC 34a_100000764384_100000748023 [0,2,0,0,0,0|1,0,1]=4 8571 B10R0.108 CCCC(C)OCC(C)CC 7a_100000764384_100000748023 [0,2,0,0,0,0|1,0,1]=4 8572 B10R0.108 CCCC(C)OCC(C)CN 34a_100000744482_100000766640 [0,2,0,0,0,0|1,0,1]=4 8573 B10R0.108 CCCC(C)OCC(C)OC 34a_100000690652_100000766640 [0,2,0,0,0,0|1,0,1]=4 8574 B10R0.108 CCCC(C)OCC(Cl)CCl 34a_100000033668_100000766640 [0,2,0,0,0,0|1,0,1]=4 8575 B10R0.108 CCCC(C)OCC(O)CC 34a_100000764384_100011218378 [0,2,0,0,0,0|1,0,1]=4 8576 B10R0.108 CCCC(C)OCC(O)CC 7a_100000764384_100011218378 [0,2,0,0,0,0|1,0,1]=4 8577 B10R0.108 CCCC(C)OCC(O)CO 34a_100000764384_100011219619 [0,2,0,0,0,0|1,0,1]=4 8578 B10R0.108 CCCC(C)OCC(O)CO 7a_100000764384_100011219619 [0,2,0,0,0,0|1,0,1]=4 8579 B10R0.108 CCCC(C)OC[C@@H](C)CC 34a_100000764384_100009816398 [0,2,0,0,0,0|1,0,1]=4 8580 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100000764384_100009816398 [0,2,0,0,0,0|1,0,1]=4 8581 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100009816381_100000766640 [0,2,0,0,0,0|1,0,1]=4 8582 B10R0.108 CCCC(C)OC[C@@H](C)CO 34a_100000764384_100000059175 [0,2,0,0,0,0|1,0,1]=4 8583 B10R0.108 CCCC(C)OC[C@@H](C)CO 7a_100000764384_100000059175 [0,2,0,0,0,0|1,0,1]=4 8584 B10R0.108 CCCC(C)OC[C@@H](O)CF 34a_100000764384_100015614560 [0,2,0,0,0,0|1,0,1]=4 8585 B10R0.108 CCCC(C)OC[C@@H](O)CF 7a_100000764384_100015614560 [0,2,0,0,0,0|1,0,1]=4 8586 B10R0.108 CCCC(C)OC[C@@H](O)CO 34a_100000764384_100009815848 [0,2,0,0,0,0|1,0,1]=4 8587 B10R0.108 CCCC(C)OC[C@@H](O)CO 7a_100000764384_100009815848 [0,2,0,0,0,0|1,0,1]=4 8588 B10R0.108 CCCC(C)OC[C@H](F)CN 34a_100015665980_100000766640 [0,2,0,0,0,0|1,0,1]=4 8589 B10R0.108 CCC[C@H](N)COC(C)CC 34a_100000732646_100011215416 [0,2,0,0,0,0|1,0,1]=4 8590 B10R0.108 CCN(C)CCC(=O)CCF 1458a_100000755305_100011217306 [0,2,0,0,0,0|2,0,0]=4 8591 B10R0.108 CCN(C)CCC(=O)CCO 1458a_100000755305_100000211926 [0,2,0,0,0,0|2,0,0]=4 8592 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,2,0,0,0,0|2,0,0]=4 8593 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,2,0,0,0,0|2,0,0]=4 8594 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,2,0,0,0,0|2,0,0]=4 8595 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,2,0,0,0,0|2,0,0]=4 8596 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,2,0,0,0,0|2,0,0]=4 8597 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [0,2,0,0,0,0|2,0,0]=4 8598 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [0,2,0,0,0,0|2,0,0]=4 8599 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [0,2,0,0,0,0|2,0,0]=4 8600 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [0,2,0,0,0,0|2,0,0]=4 8601 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [0,2,0,0,0,0|2,0,0]=4 8602 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [0,2,0,0,0,0|2,0,0]=4 8603 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [0,2,0,0,0,0|2,0,0]=4 8604 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [0,2,0,0,0,0|2,0,0]=4 8605 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [0,2,0,0,0,0|1,0,0]=3 8606 B10R0.108 CCNC(=O)COC(C)CF 34a_100016041109_100000183381 [0,2,0,0,0,0|2,0,0]=4 8607 B10R0.108 CCNC(=O)COC(C)CF 7a_100016041109_100000183381 [0,2,0,0,0,0|2,0,0]=4 8608 B10R0.108 CCNC(=O)COC(C)CN 34a_100000210904_100000183381 [0,2,0,0,0,0|2,0,0]=4 8609 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [0,2,0,0,0,0|1,1,0]=4 8610 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [0,2,0,0,0,0|1,1,0]=4 8611 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [0,2,0,0,0,0|2,0,0]=4 8612 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [0,2,0,0,0,0|2,0,0]=4 8613 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [0,2,0,0,0,0|2,0,0]=4 8614 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [0,2,0,0,0,0|2,0,0]=4 8615 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [0,2,0,0,0,0|2,0,0]=4 8616 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [0,2,0,0,0,0|2,0,0]=4 8617 B10R0.108 CCNC(=O)NCC(C)CO 2708a_100015525214_100000744482 [0,2,0,0,0,0|2,0,0]=4 8618 B10R0.108 CCNC(=O)NCC(C)CO 273464a_100000744482_100015525214 [0,2,0,0,0,0|2,0,0]=4 8619 B10R0.108 CCNC(=O)NCC(C)CO 273464a_100015525214_100000744482 [0,2,0,0,0,0|2,0,0]=4 8620 B10R0.108 CCNC(=O)NCC(C)CO 512a_100000744482_100015525214 [0,2,0,0,0,0|2,0,0]=4 8621 B10R0.108 CCNC(=O)NCC(C)CO 512a_100015525214_100000744482 [0,2,0,0,0,0|2,0,0]=4 8622 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [0,2,0,0,0,0|2,0,0]=4 8623 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [0,2,0,0,0,0|2,0,0]=4 8624 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [0,2,0,0,0,0|2,0,0]=4 8625 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [0,2,0,0,0,0|2,0,0]=4 8626 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100015525214_100020591295 [0,2,0,0,0,0|2,0,0]=4 8627 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100015525214 [0,2,0,0,0,0|2,0,0]=4 8628 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100015525214_100020591295 [0,2,0,0,0,0|2,0,0]=4 8629 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100015525214 [0,2,0,0,0,0|2,0,0]=4 8630 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100015525214_100020591295 [0,2,0,0,0,0|2,0,0]=4 8631 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100020591295_100015525214 [0,2,0,0,0,0|2,0,0]=4 8632 B10R0.108 CCNC(=O)NC[C@@H](F)CO 2708a_100015525214_100015665980 [0,2,0,0,0,0|2,0,0]=4 8633 B10R0.108 CCNC(=O)NC[C@@H](F)CO 273464a_100015525214_100015665980 [0,2,0,0,0,0|2,0,0]=4 8634 B10R0.108 CCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100015525214 [0,2,0,0,0,0|2,0,0]=4 8635 B10R0.108 CCNC(=O)NC[C@@H](F)CO 512a_100015525214_100015665980 [0,2,0,0,0,0|2,0,0]=4 8636 B10R0.108 CCNC(=O)NC[C@@H](F)CO 512a_100015665980_100015525214 [0,2,0,0,0,0|2,0,0]=4 8637 B10R0.108 CCNC(=O)NC[C@H](O)CO 2708a_100015525214_100020644852 [0,2,0,0,0,0|2,0,0]=4 8638 B10R0.108 CCNC(=O)NC[C@H](O)CO 273464a_100015525214_100020644852 [0,2,0,0,0,0|2,0,0]=4 8639 B10R0.108 CCNC(=O)NC[C@H](O)CO 273464a_100020644852_100015525214 [0,2,0,0,0,0|2,0,0]=4 8640 B10R0.108 CCNC(=O)NNC(C)CC 273464a_100015525214_100000718999 [0,2,0,0,0,0|2,0,0]=4 8641 B10R0.108 CCNC(=O)NNC(C)CC 512a_100000718999_100015525214 [0,2,0,0,0,0|2,0,0]=4 8642 B10R0.108 CCNC(=O)NNC(C)CC 512a_100015525214_100000718999 [0,2,0,0,0,0|2,0,0]=4 8643 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,2,0,0,0,0|2,0,0]=4 8644 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,2,0,0,0,0|2,0,0]=4 8645 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,2,0,0,0,0|2,0,0]=4 8646 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,2,0,0,0,0|2,0,0]=4 8647 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,2,0,0,0,0|2,0,0]=4 8648 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,2,0,0,0,0|2,0,0]=4 8649 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,2,0,0,0,0|2,0,0]=4 8650 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,2,0,0,0,0|2,0,0]=4 8651 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,2,0,0,0,0|2,0,0]=4 8652 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,2,0,0,0,0|2,0,0]=4 8653 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,2,0,0,0,0|2,0,0]=4 8654 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,2,0,0,0,0|2,0,0]=4 8655 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,2,0,0,0,0|2,0,0]=4 8656 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,2,0,0,0,0|2,0,0]=4 8657 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,2,0,0,0,0|2,0,0]=4 8658 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,2,0,0,0,0|2,0,0]=4 8659 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,2,0,0,0,0|2,0,0]=4 8660 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,2,0,0,0,0|2,0,0]=4 8661 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,2,0,0,0,0|1,0,0]=3 8662 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [0,2,0,0,0,0|2,0,0]=4 8663 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [0,2,0,0,0,0|2,0,0]=4 8664 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [0,2,0,0,0,0|2,0,0]=4 8665 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,2,0,0,0,0|1,1,0]=4 8666 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,2,0,0,0,0|1,1,0]=4 8667 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,2,0,0,0,0|2,0,0]=4 8668 B10R0.108 CCS(=O)CCC(=O)CCF 1458a_100011387550_100011217306 [0,2,0,0,0,0|2,0,0]=4 8669 B10R0.108 CCS(=O)CCC(=O)CCO 1458a_100011387550_100000211926 [0,2,0,0,0,0|2,0,0]=4 8670 B10R0.108 CNCC(=O)NCC(O)CO 2230a_106832991635_200012027429 [0,2,0,0,0,0|2,0,0]=4 8671 B10R0.108 CNCC(=O)NCC(O)CO 34a_100102657272_200012027429 [0,2,0,0,0,0|2,0,0]=4 8672 B10R0.108 CNCC(=O)NCC(O)CO 7a_106832991635_200012027429 [0,2,0,0,0,0|2,0,0]=4 8673 B10R0.108 COCC(=O)NCC(C)CO 240690a_100000744482_100000210968 [0,2,0,0,0,0|2,0,0]=4 8674 B10R0.108 COCC(=O)NCC(C)CO 527a_100000744482_100000210968 [0,2,0,0,0,0|2,0,0]=4 8675 B10R0.108 COCC(=O)NCC(O)CO 34a_100138415774_200012027429 [0,2,0,0,0,0|2,0,0]=4 8676 B10R0.108 COCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210968 [0,2,0,0,0,0|2,0,0]=4 8677 B10R0.108 COCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210968 [0,2,0,0,0,0|2,0,0]=4 8678 B10R0.108 COCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210968 [0,2,0,0,0,0|2,0,0]=4 8679 B10R0.108 COCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210968 [0,2,0,0,0,0|2,0,0]=4 8680 B10R0.108 COCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210968 [0,2,0,0,0,0|2,0,0]=4 8681 B10R0.108 COCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210968 [0,2,0,0,0,0|2,0,0]=4 8682 B10R0.108 COCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210968 [0,2,0,0,0,0|2,0,0]=4 8683 B10R0.108 COCC(=O)NC[C@H](O)CO 527a_100020644852_100000210968 [0,2,0,0,0,0|2,0,0]=4 8684 B10R0.108 CO[C@H](C)CNC(=O)CCO 240690a_100020591295_100011216618 [0,2,0,0,0,0|2,0,0]=4 8685 B10R0.108 CO[C@H](C)CNC(=O)CSC 11a_100020591295_100000184570 [0,2,0,0,0,0|2,0,0]=4 8686 B10R0.108 CO[C@H](C)CNC(=O)CSC 1626a_100020591295_100000184570 [0,2,0,0,0,0|2,0,0]=4 8687 B10R0.108 CO[C@H](C)CNC(=O)CSC 240690a_100020591295_100000184570 [0,2,0,0,0,0|2,0,0]=4 8688 B10R0.108 CO[C@H](C)CNC(=O)CSC 527a_100020591295_100000184570 [0,2,0,0,0,0|2,0,0]=4 8689 B10R0.108 CSCC(=O)NCC(C)CO 240690a_100000744482_100000184570 [0,2,0,0,0,0|2,0,0]=4 8690 B10R0.108 CSCC(=O)NCC(C)CO 527a_100000744482_100000184570 [0,2,0,0,0,0|2,0,0]=4 8691 B10R0.108 CSCC(=O)NCC(O)CO 62a_200000210301_200012027429 [0,2,0,0,0,0|2,0,0]=4 8692 B10R0.108 CSCC(=O)NCC(O)CO 62a_200012027429_200000210301 [0,2,0,0,0,0|2,0,0]=4 8693 B10R0.108 CSCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000184570 [0,2,0,0,0,0|2,0,0]=4 8694 B10R0.108 CSCC(=O)NC[C@@H](F)CO 527a_100015665980_100000184570 [0,2,0,0,0,0|2,0,0]=4 8695 B10R0.108 CSCC(=O)NC[C@H](O)CO 240690a_100020644852_100000184570 [0,2,0,0,0,0|2,0,0]=4 8696 B10R0.108 CSCC(=O)NC[C@H](O)CO 527a_100020644852_100000184570 [0,2,0,0,0,0|2,0,0]=4 8697 B10R0.108 O=C(CCO)NC[C@@H](F)CO 240690a_100015665980_100011216618 [0,2,0,0,0,0|2,0,0]=4 8698 B10R0.108 O=C(CCO)NC[C@H](O)CO 240690a_100020644852_100011216618 [0,2,0,0,0,0|2,0,0]=4 8699 B10R0.108 [13CH3]SCC(=O)NCC(O)CO 62a_200012027429_200025704644 [0,2,0,0,0,0|2,0,0]=4 8700 B10R0.108 [13CH3]SCC(=O)NCC(O)CO 62a_200025704644_200012027429 [0,2,0,0,0,0|2,0,0]=4 8701 B10R0.156 CCCC(C)(C)OCCCF 7a_100000748436_100011934791 [0,2,0,0,0,0|1,0,1]=4 8702 B10R0.156 CCCC(C)(C)OCCCO 7a_100000748436_100011215043 [0,2,0,0,0,0|1,0,1]=4 8703 B10R0.156 CCCC(C)(C)OCCOC 7a_100000748436_100000233755 [0,2,0,0,0,0|1,0,1]=4 8704 B10R0.156 CCCC(C)(C)OCCSC 7a_100000748436_100000212216 [0,2,0,0,0,0|1,0,1]=4 8705 B10R0.156 CCCCNS(=O)(=O)CCC 270084a_100000102301_100000211391 [0,2,0,0,0,0|2,0,0]=4 8706 B10R0.156 CCCCNS(=O)(=O)CCC 274078a_100000102301_100000211391 [0,2,0,0,0,0|2,0,0]=4 8707 B10R0.156 CCCCNS(=O)(=O)CCC 40a_100000102301_100000054278 [0,2,0,0,0,0|2,0,0]=4 8708 B10R0.156 CCCCOC(C)(C)CCC 7a_100000748436_100000210211 [0,2,0,0,0,0|1,0,1]=4 8709 B10R0.156 CCCNNS(=O)(=O)CCC 40a_100000740057_100000054278 [0,2,0,0,0,0|2,0,0]=4 8710 B10R0.156 CCCOCC(C)(C)CCC 7a_100011995695_100000210303 [0,2,0,0,0,0|1,0,1]=4 8711 B10R0.156 CCCS(=O)(=O)NCCCF 270084a_100015189416_100000211391 [0,2,0,0,0,0|2,0,0]=4 8712 B10R0.156 CCCS(=O)(=O)NCCCF 274078a_100015189416_100000211391 [0,2,0,0,0,0|2,0,0]=4 8713 B10R0.156 CCCS(=O)(=O)NCCCF 40a_100015189416_100000054278 [0,2,0,0,0,0|2,0,0]=4 8714 B10R0.156 CCCS(=O)(=O)NCCCO 270084a_100000182051_100000211391 [0,2,0,0,0,0|2,0,0]=4 8715 B10R0.156 CCCS(=O)(=O)NCCCO 274078a_100000182051_100000211391 [0,2,0,0,0,0|2,0,0]=4 8716 B10R0.156 CCCS(=O)(=O)NCCCO 40a_100000182051_100000054278 [0,2,0,0,0,0|2,0,0]=4 8717 B10R0.156 CCCS(=O)(=O)NCCOC 270084a_100000209980_100000211391 [0,2,0,0,0,0|2,0,0]=4 8718 B10R0.156 CCCS(=O)(=O)NCCOC 274078a_100000209980_100000211391 [0,2,0,0,0,0|2,0,0]=4 8719 B10R0.156 CCCS(=O)(=O)NCCOC 40a_100000209980_100000054278 [0,2,0,0,0,0|2,0,0]=4 8720 B10R0.156 CCCS(=O)(=O)NCCSC 270084a_100020590264_100000211391 [0,2,0,0,0,0|2,0,0]=4 8721 B10R0.156 CCCS(=O)(=O)NCCSC 274078a_100020590264_100000211391 [0,2,0,0,0,0|2,0,0]=4 8722 B10R0.156 CCCS(=O)(=O)NCCSC 40a_100020590264_100000054278 [0,2,0,0,0,0|2,0,0]=4 8723 B10R0.21 CCC#CC(=O)C(CC)CC 1458a_100011827653_100000210505 [0,2,0,0,0,0|1,0,1]=4 8724 B10R0.21 CCC(CC)C(=O)CCCF 1458a_100000211163_100011934791 [0,2,0,0,0,0|2,0,0]=4 8725 B10R0.21 CCC(CC)C(=O)CCCO 1458a_100000211163_100011215043 [0,2,0,0,0,0|2,0,0]=4 8726 B10R0.21 CCC(CC)C(=O)CCOC 1458a_100000211163_100000233755 [0,2,0,0,0,0|2,0,0]=4 8727 B10R0.21 CCC(CC)C(=O)CCOC 1458a_100000749529_100000210505 [0,2,0,0,0,0|2,0,0]=4 8728 B10R0.21 CCC(CC)C(=O)CCSC 1458a_100000174002_100000210505 [0,2,0,0,0,0|2,0,0]=4 8729 B10R0.21 CCC(CC)C(=O)CCSC 1458a_100000211163_100000751147 [0,2,0,0,0,0|2,0,0]=4 8730 B10R0.21 CCC(CC)C(=O)NCCF 11a_100000724931_100000211163 [0,2,0,0,0,0|2,0,0]=4 8731 B10R0.21 CCC(CC)C(=O)NCCF 1626a_100000724931_100000211163 [0,2,0,0,0,0|2,0,0]=4 8732 B10R0.21 CCC(CC)C(=O)NCCF 240690a_100000724931_100000211163 [0,2,0,0,0,0|2,0,0]=4 8733 B10R0.21 CCC(CC)C(=O)NCCF 527a_100000724931_100000211163 [0,2,0,0,0,0|2,0,0]=4 8734 B10R0.21 CCC(CC)C(=O)NCCO 240690a_100000210304_100000211163 [0,2,0,0,0,0|2,0,0]=4 8735 B10R0.21 CCC(CC)C(=O)NCCO 527a_100000210304_100000211163 [0,2,0,0,0,0|2,0,0]=4 8736 B10R0.21 CCC(CC)C(=O)OCNC 2230a_106832991635_100000140015 [0,2,0,0,0,0|1,0,0]=3 8737 B10R0.21 CCC(CC)C(=O)OCNC 34a_100102657272_100000140015 [0,2,0,0,0,0|1,0,0]=3 8738 B10R0.21 CCC(CC)C(=O)OCNC 7a_106832991635_100000140015 [0,2,0,0,0,0|1,0,0]=3 8739 B10R0.21 CCC(CC)C(=O)OCOC 34a_100138415774_100000140015 [0,2,0,0,0,0|1,0,0]=3 8740 B10R0.21 CCC(CC)C(=O)OCSC 62a_100000140015_200000210301 [0,2,0,0,0,0|1,0,0]=3 8741 B10R0.21 CCC(CC)C(=O)OCSC 62a_200000210301_100000140015 [0,2,0,0,0,0|1,0,0]=3 8742 B10R0.21 CCC(CC)C(=O)OCS[13CH3] 62a_100000140015_200025704644 [0,2,0,0,0,0|1,0,0]=3 8743 B10R0.21 CCC(CC)C(=O)OCS[13CH3] 62a_200025704644_100000140015 [0,2,0,0,0,0|1,0,0]=3 8744 B10R0.21 CCC(OC)C(=O)CCCF 1458a_100000747056_100011934791 [0,2,0,0,0,0|2,0,0]=4 8745 B10R0.21 CCC(OC)C(=O)CCCO 1458a_100000747056_100011215043 [0,2,0,0,0,0|2,0,0]=4 8746 B10R0.21 CCC(OC)C(=O)CCOC 1458a_100000747056_100000233755 [0,2,0,0,0,0|2,0,0]=4 8747 B10R0.21 CCC(OC)C(=O)CCSC 1458a_100000747056_100000751147 [0,2,0,0,0,0|2,0,0]=4 8748 B10R0.21 CCC(OC)C(=O)NCCF 11a_100000724931_100000747056 [0,2,0,0,0,0|2,0,0]=4 8749 B10R0.21 CCC(OC)C(=O)NCCF 1626a_100000724931_100000747056 [0,2,0,0,0,0|2,0,0]=4 8750 B10R0.21 CCC(OC)C(=O)NCCF 240690a_100000724931_100000747056 [0,2,0,0,0,0|2,0,0]=4 8751 B10R0.21 CCC(OC)C(=O)NCCF 527a_100000724931_100000747056 [0,2,0,0,0,0|2,0,0]=4 8752 B10R0.21 CCC(OC)C(=O)NCCO 240690a_100000210304_100000747056 [0,2,0,0,0,0|2,0,0]=4 8753 B10R0.21 CCC(OC)C(=O)NCCO 527a_100000210304_100000747056 [0,2,0,0,0,0|2,0,0]=4 8754 B10R0.21 CCC=CC(=O)C(CC)CC 1458a_100000212282_100000210505 [0,2,0,0,0,0|1,0,1]=4 8755 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000210183_100000210505 [0,2,0,0,0,0|1,0,0]=3 8756 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000211163_100000210211 [0,2,0,0,0,0|1,0,0]=3 8757 B10R0.21 CCCCC(=O)C(CC)OC 1458a_100000747056_100000210211 [0,2,0,0,0,0|1,0,0]=3 8758 B10R0.21 CCCCC(=O)C(OC)OC 1458a_100000046285_100000210211 [0,2,0,0,0,0|2,0,0]=4 8759 B10R0.21 CCCCC(=O)N(CC)CC 11a_100000724800_100000210183 [0,2,0,0,0,0|2,0,0]=4 8760 B10R0.21 CCCCC(=O)N(CC)CC 1626a_100000724800_100000210183 [0,2,0,0,0,0|2,0,0]=4 8761 B10R0.21 CCCCC(=O)N(CC)CC 240690a_100000724800_100000210183 [0,2,0,0,0,0|2,0,0]=4 8762 B10R0.21 CCCCC(=O)N(CC)CC 527a_100000724800_100000210183 [0,2,0,0,0,0|2,0,0]=4 8763 B10R0.21 CCCNC(=O)C(CC)CC 11a_100020643023_100000211163 [0,2,0,0,0,0|1,0,0]=3 8764 B10R0.21 CCCNC(=O)C(CC)CC 1626a_100020643023_100000211163 [0,2,0,0,0,0|1,0,0]=3 8765 B10R0.21 CCCNC(=O)C(CC)CC 240690a_100020643023_100000211163 [0,2,0,0,0,0|1,0,0]=3 8766 B10R0.21 CCCNC(=O)C(CC)CC 527a_100020643023_100000211163 [0,2,0,0,0,0|1,0,0]=3 8767 B10R0.21 CCCNC(=O)C(CC)NC 2230a_106832991635_200011763335 [0,2,0,0,0,0|1,0,0]=3 8768 B10R0.21 CCCNC(=O)C(CC)NC 7a_106832991635_200011763335 [0,2,0,0,0,0|1,0,0]=3 8769 B10R0.21 CCCNC(=O)C(CC)OC 11a_100020643023_100000747056 [0,2,0,0,0,0|1,0,0]=3 8770 B10R0.21 CCCNC(=O)C(CC)OC 1626a_100020643023_100000747056 [0,2,0,0,0,0|1,0,0]=3 8771 B10R0.21 CCCNC(=O)C(CC)OC 240690a_100020643023_100000747056 [0,2,0,0,0,0|1,0,0]=3 8772 B10R0.21 CCCNC(=O)C(CC)OC 527a_100020643023_100000747056 [0,2,0,0,0,0|1,0,0]=3 8773 B10R0.21 CCCNC(=O)C(CC)SC 62a_200000210301_200011763335 [0,2,0,0,0,0|1,0,0]=3 8774 B10R0.21 CCCNC(=O)C(CC)SC 62a_200011763335_200000210301 [0,2,0,0,0,0|1,0,0]=3 8775 B10R0.21 CCCNC(=O)C(CC)S[13CH3] 62a_200011763335_200025704644 [0,2,0,0,0,0|1,0,0]=3 8776 B10R0.21 CCCNC(=O)C(CC)S[13CH3] 62a_200025704644_200011763335 [0,2,0,0,0,0|1,0,0]=3 8777 B10R0.21 CCCNC(=O)C(OC)OC 11a_100020643023_100000046285 [0,2,0,0,0,0|2,0,0]=4 8778 B10R0.21 CCCNC(=O)C(OC)OC 240690a_100020643023_100000046285 [0,2,0,0,0,0|2,0,0]=4 8779 B10R0.21 CCCNC(=O)C(OC)OC 527a_100020643023_100000046285 [0,2,0,0,0,0|2,0,0]=4 8780 B10R0.21 CCCNC(=O)N(CC)CC 2708a_100020643023_100000724800 [0,2,0,0,0,0|2,0,0]=4 8781 B10R0.21 CCCNC(=O)N(CC)CC 273464a_100020643023_100000724800 [0,2,0,0,0,0|2,0,0]=4 8782 B10R0.21 CCN(CC)C(=O)OCNC 2230a_106832991635_100000140013 [0,2,0,0,0,0|2,0,0]=4 8783 B10R0.21 CCN(CC)C(=O)OCNC 7a_106832991635_100000140013 [0,2,0,0,0,0|2,0,0]=4 8784 B10R0.21 CCN(CC)C(=O)OCSC 62a_200000210301_100000140013 [0,2,0,0,0,0|2,0,0]=4 8785 B10R0.21 CCN(CC)C(=O)OCS[13CH3] 62a_200025704644_100000140013 [0,2,0,0,0,0|2,0,0]=4 8786 B10R0.21 CCNNC(=O)C(CC)CC 22a_100000756455_100000211163 [0,2,0,0,0,0|2,0,0]=4 8787 B10R0.21 CCNNC(=O)C(CC)OC 22a_100000756455_100000747056 [0,2,0,0,0,0|2,0,0]=4 8788 B10R0.21 CCOCC(=O)C(CC)CC 1458a_100000211967_100000210505 [0,2,0,0,0,0|2,0,0]=4 8789 B10R0.21 CCSCC(=O)C(CC)CC 1458a_100000230394_100000210505 [0,2,0,0,0,0|2,0,0]=4 8790 B10R0.35 CC/C=C(\C)/C(=O)C(C)CC 1458a_100016988807_100000758301 [0,2,0,0,0,0|1,0,1]=4 8791 B10R0.35 CCC(C)C(=O)C(C)CCO 1458a_100011192722_100009893172 [0,2,0,0,0,0|2,0,0]=4 8792 B10R0.35 CCC(C)C(=O)C(C)COC 1458a_100000751857_100000758301 [0,2,0,0,0,0|2,0,0]=4 8793 B10R0.35 CCC(C)C(=O)C(C)COC 1458a_100011192722_100000765312 [0,2,0,0,0,0|2,0,0]=4 8794 B10R0.35 CCC(C)C(=O)C(C)CSC 1458a_100000753918_100000758301 [0,2,0,0,0,0|2,0,0]=4 8795 B10R0.35 CCC(C)C(=O)N(C)CCO 240690a_100000210263_100011192722 [0,2,0,0,0,0|2,0,0]=4 8796 B10R0.35 CCC(C)C(=O)N(C)CCO 527a_100000210263_100011192722 [0,2,0,0,0,0|2,0,0]=4 8797 B10R0.35 CCC(C)N(C)C(=O)CCO 240690a_100000741768_100011216618 [0,2,0,0,0,0|2,0,0]=4 8798 B10R0.35 CCC(C)N(C)C(=O)COC 11a_100000741768_100000210968 [0,2,0,0,0,0|2,0,0]=4 8799 B10R0.35 CCC(C)N(C)C(=O)COC 1626a_100000741768_100000210968 [0,2,0,0,0,0|2,0,0]=4 8800 B10R0.35 CCC(C)N(C)C(=O)COC 240690a_100000741768_100000210968 [0,2,0,0,0,0|2,0,0]=4 8801 B10R0.35 CCC(C)N(C)C(=O)COC 527a_100000741768_100000210968 [0,2,0,0,0,0|2,0,0]=4 8802 B10R0.35 CCC(C)N(C)C(=O)CSC 11a_100000741768_100000184570 [0,2,0,0,0,0|2,0,0]=4 8803 B10R0.35 CCC(C)N(C)C(=O)CSC 1626a_100000741768_100000184570 [0,2,0,0,0,0|2,0,0]=4 8804 B10R0.35 CCC(C)N(C)C(=O)CSC 240690a_100000741768_100000184570 [0,2,0,0,0,0|2,0,0]=4 8805 B10R0.35 CCC(C)N(C)C(=O)CSC 527a_100000741768_100000184570 [0,2,0,0,0,0|2,0,0]=4 8806 B10R0.35 CCC(O)C(=O)C(C)CCO 1458a_100011196387_100009893172 [0,2,0,0,0,0|2,0,0]=4 8807 B10R0.35 CCC(O)C(=O)C(C)COC 1458a_100011196387_100000765312 [0,2,0,0,0,0|2,0,0]=4 8808 B10R0.35 CCC(O)C(=O)N(C)CCO 240690a_100000210263_100011196387 [0,2,0,0,0,0|2,0,0]=4 8809 B10R0.35 CCCC(=O)C(C)C(=O)CC 1458a_100000211992_100000742827 [0,2,0,0,0,0|1,0,1]=4 8810 B10R0.35 CCCC(=O)C(C)N(C)CC 1458a_100011281945_100000210303 [0,2,0,0,0,0|2,0,0]=4 8811 B10R0.35 CCCC(=O)N(C)C(C)CC 11a_100000741768_100000211992 [0,2,0,0,0,0|1,0,0]=3 8812 B10R0.35 CCCC(=O)N(C)C(C)CC 1626a_100000741768_100000211992 [0,2,0,0,0,0|1,0,0]=3 8813 B10R0.35 CCCC(=O)N(C)C(C)CC 240690a_100000741768_100000211992 [0,2,0,0,0,0|1,0,0]=3 8814 B10R0.35 CCCC(=O)N(C)C(C)CC 527a_100000741768_100000211992 [0,2,0,0,0,0|1,0,0]=3 8815 B10R0.35 CCCC(=O)N(C)C(C)CO 240690a_100000693034_100000211992 [0,2,0,0,0,0|2,0,0]=4 8816 B10R0.35 CCCC(=O)N(C)C(C)CO 527a_100000693034_100000211992 [0,2,0,0,0,0|2,0,0]=4 8817 B10R0.35 CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210303 [0,2,0,0,0,0|2,0,0]=4 8818 B10R0.35 CCCC(C)C(=O)C(C)CC 1458a_100000210906_100000758301 [0,2,0,0,0,0|1,0,0]=3 8819 B10R0.35 CCCC(C)C(=O)C(C)CC 1458a_100011192722_100000766640 [0,2,0,0,0,0|1,0,0]=3 8820 B10R0.35 CCCC(C)C(=O)C(C)OC 1458a_100000743197_100000766640 [0,2,0,0,0,0|2,0,0]=4 8821 B10R0.35 CCCC(C)C(=O)C(C)SC 1458a_100000149566_100000766640 [0,2,0,0,0,0|2,0,0]=4 8822 B10R0.35 CCCC(C)C(=O)C(O)CC 1458a_100011196387_100000766640 [0,2,0,0,0,0|1,0,0]=3 8823 B10R0.35 CCCC(C)C(=O)C(O)CO 1458a_100011215603_100000766640 [0,2,0,0,0,0|2,0,0]=4 8824 B10R0.35 CCCC(C)C(=O)N(C)CC 11a_100000225621_100000210906 [0,2,0,0,0,0|2,0,0]=4 8825 B10R0.35 CCCC(C)C(=O)N(C)CC 1626a_100000225621_100000210906 [0,2,0,0,0,0|2,0,0]=4 8826 B10R0.35 CCCC(C)C(=O)N(C)CC 240690a_100000225621_100000210906 [0,2,0,0,0,0|2,0,0]=4 8827 B10R0.35 CCCC(C)C(=O)N(C)CC 527a_100000225621_100000210906 [0,2,0,0,0,0|2,0,0]=4 8828 B10R0.35 CCCN(C)C(=O)C(C)CC 11a_100000747261_100011192722 [0,2,0,0,0,0|1,0,0]=3 8829 B10R0.35 CCCN(C)C(=O)C(C)CC 1626a_100000747261_100011192722 [0,2,0,0,0,0|1,0,0]=3 8830 B10R0.35 CCCN(C)C(=O)C(C)CC 240690a_100000747261_100011192722 [0,2,0,0,0,0|1,0,0]=3 8831 B10R0.35 CCCN(C)C(=O)C(C)CC 527a_100000747261_100011192722 [0,2,0,0,0,0|1,0,0]=3 8832 B10R0.35 CCCN(C)C(=O)C(C)OC 11a_100000747261_100000743197 [0,2,0,0,0,0|2,0,0]=4 8833 B10R0.35 CCCN(C)C(=O)C(C)OC 1626a_100000747261_100000743197 [0,2,0,0,0,0|2,0,0]=4 8834 B10R0.35 CCCN(C)C(=O)C(C)OC 240690a_100000747261_100000743197 [0,2,0,0,0,0|2,0,0]=4 8835 B10R0.35 CCCN(C)C(=O)C(C)OC 527a_100000747261_100000743197 [0,2,0,0,0,0|2,0,0]=4 8836 B10R0.35 CCCN(C)C(=O)C(C)SC 11a_100000747261_100000149566 [0,2,0,0,0,0|2,0,0]=4 8837 B10R0.35 CCCN(C)C(=O)C(C)SC 1626a_100000747261_100000149566 [0,2,0,0,0,0|2,0,0]=4 8838 B10R0.35 CCCN(C)C(=O)C(C)SC 240690a_100000747261_100000149566 [0,2,0,0,0,0|2,0,0]=4 8839 B10R0.35 CCCN(C)C(=O)C(C)SC 527a_100000747261_100000149566 [0,2,0,0,0,0|2,0,0]=4 8840 B10R0.35 CCCN(C)C(=O)C(O)CC 240690a_100000747261_100011196387 [0,2,0,0,0,0|1,0,0]=3 8841 B10R0.35 CCCN(C)C(=O)C(O)CO 240690a_100000747261_100011215603 [0,2,0,0,0,0|2,0,0]=4 8842 B10R0.35 CCC[C@H](O)C(=O)C(C)CC 1458a_100009822183_100000758301 [0,2,0,0,0,0|1,0,0]=3 8843 B10R0.35 CCC[C@H](O)C(=O)N(C)CC 240690a_100000225621_100009822183 [0,2,0,0,0,0|2,0,0]=4 8844 B10R0.35 CCNC(=O)C(=O)C(C)CC 1458a_200011297158_100000758301 [0,2,0,0,0,0|2,0,0]=4 8845 B10R0.35 CCNC(=O)N(C)C(C)CC 2708a_100015525214_100000741768 [0,2,0,0,0,0|2,0,0]=4 8846 B10R0.35 CCNC(=O)N(C)C(C)CC 273464a_100015525214_100000741768 [0,2,0,0,0,0|2,0,0]=4 8847 B10R0.35 CCOC(C)C(=O)C(C)CC 1458a_100000739345_100000758301 [0,2,0,0,0,0|2,0,0]=4 8848 B10R0.35 CCSC(C)C(=O)C(C)CC 1458a_100000230601_100000758301 [0,2,0,0,0,0|2,0,0]=4 8849 B10R0.40 CC(C)(S[13CH3])C(=O)OCCO 62a_100009817195_200025704644 [0,2,0,0,0,0|2,0,0]=4 8850 B10R0.40 CC(C)(S[13CH3])C(=O)OCCO 62a_200025704644_100009817195 [0,2,0,0,0,0|2,0,0]=4 8851 B10R0.40 CCC(C)(C)C(=O)CCCF 1458a_100000749717_100011934791 [0,2,0,0,0,0|2,0,0]=4 8852 B10R0.40 CCC(C)(C)C(=O)CCCO 1458a_100000749717_100011215043 [0,2,0,0,0,0|2,0,0]=4 8853 B10R0.40 CCC(C)(C)C(=O)CCOC 1458a_100000749717_100000233755 [0,2,0,0,0,0|2,0,0]=4 8854 B10R0.40 CCC(C)(C)C(=O)CCSC 1458a_100000749717_100000751147 [0,2,0,0,0,0|2,0,0]=4 8855 B10R0.40 CCC(C)(C)C(=O)NCCF 11a_100000724931_100000749717 [0,2,0,0,0,0|2,0,0]=4 8856 B10R0.40 CCC(C)(C)C(=O)NCCF 1626a_100000724931_100000749717 [0,2,0,0,0,0|2,0,0]=4 8857 B10R0.40 CCC(C)(C)C(=O)NCCF 240690a_100000724931_100000749717 [0,2,0,0,0,0|2,0,0]=4 8858 B10R0.40 CCC(C)(C)C(=O)NCCF 527a_100000724931_100000749717 [0,2,0,0,0,0|2,0,0]=4 8859 B10R0.40 CCC(C)(C)C(=O)NCCO 240690a_100000210304_100000749717 [0,2,0,0,0,0|2,0,0]=4 8860 B10R0.40 CCC(C)(C)C(=O)NCCO 527a_100000210304_100000749717 [0,2,0,0,0,0|2,0,0]=4 8861 B10R0.40 CCC(C)(O)C(=O)CCCF 1458a_100011219770_100011934791 [0,2,0,0,0,0|2,0,0]=4 8862 B10R0.40 CCC(C)(O)C(=O)CCCO 1458a_100011219770_100011215043 [0,2,0,0,0,0|2,0,0]=4 8863 B10R0.40 CCC(C)(O)C(=O)CCOC 1458a_100011219770_100000233755 [0,2,0,0,0,0|2,0,0]=4 8864 B10R0.40 CCC(C)(O)C(=O)CCSC 1458a_100011219770_100000751147 [0,2,0,0,0,0|2,0,0]=4 8865 B10R0.40 CCC(C)(O)C(=O)NCCF 240690a_100000724931_100011219770 [0,2,0,0,0,0|2,0,0]=4 8866 B10R0.40 CCC(C)(O)C(=O)NCCO 240690a_100000210304_100011219770 [0,2,0,0,0,0|2,0,0]=4 8867 B10R0.40 CCC(F)(F)C(=O)CCCF 1458a_100000061896_100011934791 [0,2,0,0,0,0|2,0,0]=4 8868 B10R0.40 CCC(F)(F)C(=O)CCCO 1458a_100000061896_100011215043 [0,2,0,0,0,0|2,0,0]=4 8869 B10R0.40 CCC(F)(F)C(=O)CCOC 1458a_100000061896_100000233755 [0,2,0,0,0,0|2,0,0]=4 8870 B10R0.40 CCC(F)(F)C(=O)CCSC 1458a_100000061896_100000751147 [0,2,0,0,0,0|2,0,0]=4 8871 B10R0.40 CCC(F)(F)C(=O)NCCF 11a_100000724931_100000061896 [0,2,0,0,0,0|2,0,0]=4 8872 B10R0.40 CCC(F)(F)C(=O)NCCF 1626a_100000724931_100000061896 [0,2,0,0,0,0|2,0,0]=4 8873 B10R0.40 CCC(F)(F)C(=O)NCCF 240690a_100000724931_100000061896 [0,2,0,0,0,0|2,0,0]=4 8874 B10R0.40 CCC(F)(F)C(=O)NCCF 527a_100000724931_100000061896 [0,2,0,0,0,0|2,0,0]=4 8875 B10R0.40 CCC(F)(F)C(=O)NCCO 240690a_100000210304_100000061896 [0,2,0,0,0,0|2,0,0]=4 8876 B10R0.40 CCC(F)(F)C(=O)NCCO 527a_100000210304_100000061896 [0,2,0,0,0,0|2,0,0]=4 8877 B10R0.40 CCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210211 [0,2,0,0,0,0|1,0,0]=3 8878 B10R0.40 CCCCC(=O)C(C)(C)CF 1458a_100000138116_100000210211 [0,2,0,0,0,0|2,0,0]=4 8879 B10R0.40 CCCCC(=O)C(C)(C)CO 1458a_100000749806_100000210211 [0,2,0,0,0,0|2,0,0]=4 8880 B10R0.40 CCCCC(=O)C(C)(C)OC 1458a_100000753492_100000210211 [0,2,0,0,0,0|2,0,0]=4 8881 B10R0.40 CCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210211 [0,2,0,0,0,0|1,0,0]=3 8882 B10R0.40 CCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210211 [0,2,0,0,0,0|1,0,0]=3 8883 B10R0.40 CCCNC(=O)C(C)(C)CC 11a_100020643023_100000749717 [0,2,0,0,0,0|1,0,0]=3 8884 B10R0.40 CCCNC(=O)C(C)(C)CC 1626a_100020643023_100000749717 [0,2,0,0,0,0|1,0,0]=3 8885 B10R0.40 CCCNC(=O)C(C)(C)CC 240690a_100020643023_100000749717 [0,2,0,0,0,0|1,0,0]=3 8886 B10R0.40 CCCNC(=O)C(C)(C)CC 527a_100020643023_100000749717 [0,2,0,0,0,0|1,0,0]=3 8887 B10R0.40 CCCNC(=O)C(C)(C)CF 11a_100020643023_100000138116 [0,2,0,0,0,0|2,0,0]=4 8888 B10R0.40 CCCNC(=O)C(C)(C)CF 1626a_100020643023_100000138116 [0,2,0,0,0,0|2,0,0]=4 8889 B10R0.40 CCCNC(=O)C(C)(C)CF 240690a_100020643023_100000138116 [0,2,0,0,0,0|2,0,0]=4 8890 B10R0.40 CCCNC(=O)C(C)(C)CF 527a_100020643023_100000138116 [0,2,0,0,0,0|2,0,0]=4 8891 B10R0.40 CCCNC(=O)C(C)(C)CO 1626a_100020643023_100000749806 [0,2,0,0,0,0|2,0,0]=4 8892 B10R0.40 CCCNC(=O)C(C)(C)CO 240690a_100020643023_100000749806 [0,2,0,0,0,0|2,0,0]=4 8893 B10R0.40 CCCNC(=O)C(C)(C)CO 527a_100020643023_100000749806 [0,2,0,0,0,0|2,0,0]=4 8894 B10R0.40 CCCNC(=O)C(C)(C)OC 11a_100020643023_100000753492 [0,2,0,0,0,0|2,0,0]=4 8895 B10R0.40 CCCNC(=O)C(C)(C)OC 1626a_100020643023_100000753492 [0,2,0,0,0,0|2,0,0]=4 8896 B10R0.40 CCCNC(=O)C(C)(C)OC 240690a_100020643023_100000753492 [0,2,0,0,0,0|2,0,0]=4 8897 B10R0.40 CCCNC(=O)C(C)(C)OC 527a_100020643023_100000753492 [0,2,0,0,0,0|2,0,0]=4 8898 B10R0.40 CCCNC(=O)C(C)(O)CC 240690a_100020643023_100011219770 [0,2,0,0,0,0|1,0,0]=3 8899 B10R0.40 CCCNC(=O)C(F)(F)CC 11a_100020643023_100000061896 [0,2,0,0,0,0|1,0,0]=3 8900 B10R0.40 CCCNC(=O)C(F)(F)CC 1626a_100020643023_100000061896 [0,2,0,0,0,0|1,0,0]=3 8901 B10R0.40 CCCNC(=O)C(F)(F)CC 240690a_100020643023_100000061896 [0,2,0,0,0,0|1,0,0]=3 8902 B10R0.40 CCCNC(=O)C(F)(F)CC 527a_100020643023_100000061896 [0,2,0,0,0,0|1,0,0]=3 8903 B10R0.40 CCNNC(=O)C(C)(C)CC 22a_100000756455_100000749717 [0,2,0,0,0,0|2,0,0]=4 8904 B10R0.40 CCNNC(=O)C(C)(O)CC 22a_100000756455_100011219770 [0,2,0,0,0,0|2,0,0]=4 8905 B10R0.40 CCNNC(=O)C(F)(F)CC 22a_100000756455_100000061896 [0,2,0,0,0,0|2,0,0]=4 8906 B10R0.40 CNC(C)(C)C(=O)OCCO 2230a_106832991635_100009817195 [0,2,0,0,0,0|2,0,0]=4 8907 B10R0.40 CNC(C)(C)C(=O)OCCO 34a_100102657272_100009817195 [0,2,0,0,0,0|2,0,0]=4 8908 B10R0.40 CNC(C)(C)C(=O)OCCO 7a_106832991635_100009817195 [0,2,0,0,0,0|2,0,0]=4 8909 B10R0.40 COC(C)(C)C(=O)OCCO 34a_100138415774_100009817195 [0,2,0,0,0,0|2,0,0]=4 8910 B10R0.40 CSC(C)(C)C(=O)OCCO 62a_100009817195_200000210301 [0,2,0,0,0,0|2,0,0]=4 8911 B10R0.40 CSC(C)(C)C(=O)OCCO 62a_200000210301_100009817195 [0,2,0,0,0,0|2,0,0]=4 8912 B10R0.46 CCC(=CC(=O)C(C)CC)C 1458a_100020758463_100000758301 [0,2,0,0,0,0|1,0,1]=4 8913 B10R0.46 CCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210202 [0,2,0,0,0,0|1,0,1]=4 8914 B10R0.46 CCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747405 [0,2,0,0,0,0|1,0,1]=4 8915 B10R0.46 CCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747405 [0,2,0,0,0,0|1,0,1]=4 8916 B10R0.46 CCC(C)C(=O)CN(C)CC 1458a_100116209913_100000758301 [0,2,0,0,0,0|2,0,0]=4 8917 B10R0.46 CCC(C)C(=O)C[C@@H](C)CC 1458a_100011192722_100009816398 [0,2,0,0,0,0|1,0,0]=3 8918 B10R0.46 CCC(C)C(=O)C[C@@H](C)CO 1458a_100011192722_100000059175 [0,2,0,0,0,0|2,0,0]=4 8919 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 11a_100102880703_100011192722 [0,2,0,0,0,0|2,0,0]=4 8920 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100011192722 [0,2,0,0,0,0|2,0,0]=4 8921 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100011192722 [0,2,0,0,0,0|2,0,0]=4 8922 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 527a_100102880703_100011192722 [0,2,0,0,0,0|2,0,0]=4 8923 B10R0.46 CCC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100011192722 [0,2,0,0,0,0|2,0,0]=4 8924 B10R0.46 CCC(C)C(=O)N[C@H](C)CO 527a_100000737577_100011192722 [0,2,0,0,0,0|2,0,0]=4 8925 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100000708755_100000758301 [0,2,0,0,0,0|1,0,0]=3 8926 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100011192722_100000748023 [0,2,0,0,0,0|1,0,0]=3 8927 B10R0.46 CCC(C)CC(=O)C(C)OC 1458a_100000743197_100000748023 [0,2,0,0,0,0|2,0,0]=4 8928 B10R0.46 CCC(C)CC(=O)C(C)SC 1458a_100000149566_100000748023 [0,2,0,0,0,0|2,0,0]=4 8929 B10R0.46 CCC(C)CC(=O)C(O)CC 1458a_100011196387_100000748023 [0,2,0,0,0,0|1,0,0]=3 8930 B10R0.46 CCC(C)CC(=O)C(O)CO 1458a_100011215603_100000748023 [0,2,0,0,0,0|2,0,0]=4 8931 B10R0.46 CCC(C)CC(=O)N(C)CC 11a_100000225621_100000708755 [0,2,0,0,0,0|2,0,0]=4 8932 B10R0.46 CCC(C)CC(=O)N(C)CC 1626a_100000225621_100000708755 [0,2,0,0,0,0|2,0,0]=4 8933 B10R0.46 CCC(C)CC(=O)N(C)CC 240690a_100000225621_100000708755 [0,2,0,0,0,0|2,0,0]=4 8934 B10R0.46 CCC(C)CC(=O)N(C)CC 527a_100000225621_100000708755 [0,2,0,0,0,0|2,0,0]=4 8935 B10R0.46 CCC(C)NC(=O)C(C)CC 11a_100000209981_100011192722 [0,2,0,0,0,0|1,0,0]=3 8936 B10R0.46 CCC(C)NC(=O)C(C)CC 1626a_100000209981_100011192722 [0,2,0,0,0,0|1,0,0]=3 8937 B10R0.46 CCC(C)NC(=O)C(C)CC 240690a_100000209981_100011192722 [0,2,0,0,0,0|1,0,0]=3 8938 B10R0.46 CCC(C)NC(=O)C(C)CC 527a_100000209981_100011192722 [0,2,0,0,0,0|1,0,0]=3 8939 B10R0.46 CCC(C)NC(=O)C(C)NC 2230a_106832991635_100000735909 [0,2,0,0,0,0|2,0,0]=4 8940 B10R0.46 CCC(C)NC(=O)C(C)NC 7a_106832991635_100000735909 [0,2,0,0,0,0|2,0,0]=4 8941 B10R0.46 CCC(C)NC(=O)C(C)OC 11a_100000209981_100000743197 [0,2,0,0,0,0|2,0,0]=4 8942 B10R0.46 CCC(C)NC(=O)C(C)OC 1626a_100000209981_100000743197 [0,2,0,0,0,0|2,0,0]=4 8943 B10R0.46 CCC(C)NC(=O)C(C)OC 240690a_100000209981_100000743197 [0,2,0,0,0,0|2,0,0]=4 8944 B10R0.46 CCC(C)NC(=O)C(C)OC 527a_100000209981_100000743197 [0,2,0,0,0,0|2,0,0]=4 8945 B10R0.46 CCC(C)NC(=O)C(C)SC 11a_100000209981_100000149566 [0,2,0,0,0,0|2,0,0]=4 8946 B10R0.46 CCC(C)NC(=O)C(C)SC 1626a_100000209981_100000149566 [0,2,0,0,0,0|2,0,0]=4 8947 B10R0.46 CCC(C)NC(=O)C(C)SC 240690a_100000209981_100000149566 [0,2,0,0,0,0|2,0,0]=4 8948 B10R0.46 CCC(C)NC(=O)C(C)SC 527a_100000209981_100000149566 [0,2,0,0,0,0|2,0,0]=4 8949 B10R0.46 CCC(C)NC(=O)C(C)SC 62a_100000735909_200000210301 [0,2,0,0,0,0|2,0,0]=4 8950 B10R0.46 CCC(C)NC(=O)C(C)SC 62a_200000210301_100000735909 [0,2,0,0,0,0|2,0,0]=4 8951 B10R0.46 CCC(C)NC(=O)C(C)S[13CH3] 62a_100000735909_200025704644 [0,2,0,0,0,0|2,0,0]=4 8952 B10R0.46 CCC(C)NC(=O)C(C)S[13CH3] 62a_200025704644_100000735909 [0,2,0,0,0,0|2,0,0]=4 8953 B10R0.46 CCC(C)NC(=O)C(O)CC 240690a_100000209981_100011196387 [0,2,0,0,0,0|1,0,0]=3 8954 B10R0.46 CCC(C)NC(=O)C(O)CO 240690a_100000209981_100011215603 [0,2,0,0,0,0|2,0,0]=4 8955 B10R0.46 CCC(C)NC(=O)N(C)CC 2708a_100000209981_100000225621 [0,2,0,0,0,0|2,0,0]=4 8956 B10R0.46 CCC(C)NC(=O)N(C)CC 273464a_100000209981_100000225621 [0,2,0,0,0,0|2,0,0]=4 8957 B10R0.46 CCC(C)OC(C)C(C)CC 7a_100011215189_100000758301 [0,2,0,0,0,0|1,0,1]=4 8958 B10R0.46 CCC(O)C(=O)C[C@@H](C)CC 1458a_100011196387_100009816398 [0,2,0,0,0,0|1,0,0]=3 8959 B10R0.46 CCC(O)C(=O)C[C@@H](C)CO 1458a_100011196387_100000059175 [0,2,0,0,0,0|2,0,0]=4 8960 B10R0.46 CCC(O)C(=O)N[C@H](C)CF 240690a_100102880703_100011196387 [0,2,0,0,0,0|2,0,0]=4 8961 B10R0.46 CCC(O)C(=O)N[C@H](C)CO 240690a_100000737577_100011196387 [0,2,0,0,0,0|2,0,0]=4 8962 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011192722_100011218378 [0,2,0,0,0,0|1,0,0]=3 8963 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011667805_100000758301 [0,2,0,0,0,0|1,0,0]=3 8964 B10R0.46 CCC(O)CC(=O)C(C)OC 1458a_100000743197_100011218378 [0,2,0,0,0,0|2,0,0]=4 8965 B10R0.46 CCC(O)CC(=O)C(C)SC 1458a_100000149566_100011218378 [0,2,0,0,0,0|2,0,0]=4 8966 B10R0.46 CCC(O)CC(=O)C(O)CC 1458a_100011196387_100011218378 [0,2,0,0,0,0|1,0,0]=3 8967 B10R0.46 CCC(O)CC(=O)C(O)CO 1458a_100011215603_100011218378 [0,2,0,0,0,0|2,0,0]=4 8968 B10R0.46 CCC(O)CC(=O)N(C)CC 1626a_100000225621_100011667805 [0,2,0,0,0,0|2,0,0]=4 8969 B10R0.46 CCC(O)CC(=O)N(C)CC 240690a_100000225621_100011667805 [0,2,0,0,0,0|2,0,0]=4 8970 B10R0.46 CC[C@H](C)CC(=O)C(C)OC 1458a_100000743197_100009816398 [0,2,0,0,0,0|2,0,0]=4 8971 B10R0.46 CC[C@H](C)CC(=O)C(C)SC 1458a_100000149566_100009816398 [0,2,0,0,0,0|2,0,0]=4 8972 B10R0.46 CC[C@H](C)CC(=O)C(O)CO 1458a_100011215603_100009816398 [0,2,0,0,0,0|2,0,0]=4 8973 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_100011192722_100000730704 [0,2,0,0,0,0|1,0,1]=4 8974 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_200000688413_100000758301 [0,2,0,0,0,0|1,0,1]=4 8975 B10R0.57 C=C(C)CCC(=O)C(O)CC 1458a_100011196387_100000730704 [0,2,0,0,0,0|1,0,1]=4 8976 B10R0.57 C=C(C)CNC(=O)C(C)CC 11a_100000765925_100011192722 [0,2,0,0,0,0|1,0,1]=4 8977 B10R0.57 C=C(C)CNC(=O)C(C)CC 1626a_100000765925_100011192722 [0,2,0,0,0,0|1,0,1]=4 8978 B10R0.57 C=C(C)CNC(=O)C(C)CC 240690a_100000765925_100011192722 [0,2,0,0,0,0|1,0,1]=4 8979 B10R0.57 C=C(C)CNC(=O)C(C)CC 527a_100000765925_100011192722 [0,2,0,0,0,0|1,0,1]=4 8980 B10R0.57 C=C(C)CNC(=O)C(O)CC 240690a_100000765925_100011196387 [0,2,0,0,0,0|1,0,1]=4 8981 B10R0.57 CC(C)CCC(=O)C(O)CO 1458a_100011215603_100000210312 [0,2,0,0,0,0|2,0,0]=4 8982 B10R0.57 CC(C)CNC(=O)C(C)N[13CH3] 2230a_100025753496_200025704644 [0,2,0,0,0,0|2,0,0]=4 8983 B10R0.57 CC(C)CNC(=O)C(C)N[13CH3] 34a_100025753496_200025704644 [0,2,0,0,0,0|2,0,0]=4 8984 B10R0.57 CC(C)CNC(=O)C(C)S[13CH3] 62a_100000230289_200025704644 [0,2,0,0,0,0|2,0,0]=4 8985 B10R0.57 CC(C)CNC(=O)C(C)S[13CH3] 62a_200025704644_100000230289 [0,2,0,0,0,0|2,0,0]=4 8986 B10R0.57 CC(C)CNC(=O)C(O)CO 240690a_100000210953_100011215603 [0,2,0,0,0,0|2,0,0]=4 8987 B10R0.57 CC(O)CCC(=O)C(O)CO 1458a_100011215603_100012276601 [0,2,0,0,0,0|2,0,0]=4 8988 B10R0.57 CC(O)CNC(=O)C(O)CO 240690a_100000210904_100011215603 [0,2,0,0,0,0|2,0,0]=4 8989 B10R0.57 CCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210202 [0,2,0,0,0,0|1,0,1]=4 8990 B10R0.57 CCC(C)C(=O)C=CC(C)C 1458a_100016268746_100000758301 [0,2,0,0,0,0|1,0,1]=4 8991 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100000181311_100000758301 [0,2,0,0,0,0|1,0,0]=3 8992 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100011192722_100000210312 [0,2,0,0,0,0|1,0,0]=3 8993 B10R0.57 CCC(C)C(=O)CCC(C)O 1458a_100011192722_100012276601 [0,2,0,0,0,0|1,0,0]=3 8994 B10R0.57 CCC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000758301 [0,2,0,0,0,0|2,0,0]=4 8995 B10R0.57 CCC(C)C(=O)COC(C)C 1458a_100000745533_100000758301 [0,2,0,0,0,0|2,0,0]=4 8996 B10R0.57 CCC(C)C(=O)CSC(C)C 1458a_100000241585_100000758301 [0,2,0,0,0,0|2,0,0]=4 8997 B10R0.57 CCC(C)C(=O)NCC(=O)C 1458a_100000743532_200000210301 [0,2,0,0,0,0|1,0,1]=4 8998 B10R0.57 CCC(C)C(=O)NCC(=O)[13CH3] 1458a_100000743532_200025704644 [0,2,0,0,0,0|1,0,1]=4 8999 B10R0.57 CCC(C)C(=O)NCC(C)C 11a_100000210953_100011192722 [0,2,0,0,0,0|1,0,0]=3 9000 B10R0.57 CCC(C)C(=O)NCC(C)C 1626a_100000210953_100011192722 [0,2,0,0,0,0|1,0,0]=3 9001 B10R0.57 CCC(C)C(=O)NCC(C)C 240690a_100000210953_100011192722 [0,2,0,0,0,0|1,0,0]=3 9002 B10R0.57 CCC(C)C(=O)NCC(C)C 527a_100000210953_100011192722 [0,2,0,0,0,0|1,0,0]=3 9003 B10R0.57 CCC(C)C(=O)NCC(C)O 11a_100000210904_100011192722 [0,2,0,0,0,0|1,0,0]=3 9004 B10R0.57 CCC(C)C(=O)NCC(C)O 240690a_100000210904_100011192722 [0,2,0,0,0,0|1,0,0]=3 9005 B10R0.57 CCC(C)C(=O)NCC(C)O 527a_100000210904_100011192722 [0,2,0,0,0,0|1,0,0]=3 9006 B10R0.57 CCC(C)C(=O)NCC(F)F 11a_100000765723_100011192722 [0,2,0,0,0,0|2,0,0]=4 9007 B10R0.57 CCC(C)C(=O)NCC(F)F 1626a_100000765723_100011192722 [0,2,0,0,0,0|2,0,0]=4 9008 B10R0.57 CCC(C)C(=O)NCC(F)F 240690a_100000765723_100011192722 [0,2,0,0,0,0|2,0,0]=4 9009 B10R0.57 CCC(C)C(=O)NCC(F)F 527a_100000765723_100011192722 [0,2,0,0,0,0|2,0,0]=4 9010 B10R0.57 CCC(C)C(=O)NNC(C)C 22a_100000741168_100011192722 [0,2,0,0,0,0|2,0,0]=4 9011 B10R0.57 CCC(C)C(C)OCC(C)C 7a_100011215189_100000210760 [0,2,0,0,0,0|1,0,1]=4 9012 B10R0.57 CCC(C)C(C)OCC(C)O 7a_100011215189_100011218427 [0,2,0,0,0,0|1,0,1]=4 9013 B10R0.57 CCC(C)C(C)OC[C@@H](C)O 7a_100011215189_100009817552 [0,2,0,0,0,0|1,0,1]=4 9014 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [0,2,0,0,0,0|1,0,0]=3 9015 B10R0.57 CCC(O)C(=O)CCC(C)O 1458a_100011196387_100012276601 [0,2,0,0,0,0|1,0,0]=3 9016 B10R0.57 CCC(O)C(=O)NCC(C)C 240690a_100000210953_100011196387 [0,2,0,0,0,0|1,0,0]=3 9017 B10R0.57 CCC(O)C(=O)NCC(C)O 240690a_100000210904_100011196387 [0,2,0,0,0,0|1,0,0]=3 9018 B10R0.57 CCC(O)C(=O)NCC(F)F 240690a_100000765723_100011196387 [0,2,0,0,0,0|2,0,0]=4 9019 B10R0.57 CCC(O)C(=O)NNC(C)C 22a_100000741168_100011196387 [0,2,0,0,0,0|2,0,0]=4 9020 B10R0.57 CCN(C)C(=O)CCC(C)C 11a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 9021 B10R0.57 CCN(C)C(=O)CCC(C)C 1626a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 9022 B10R0.57 CCN(C)C(=O)CCC(C)C 240690a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 9023 B10R0.57 CCN(C)C(=O)CCC(C)C 527a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 9024 B10R0.57 CCN(C)C(=O)CCC(C)O 1626a_100000225621_100000718519 [0,2,0,0,0,0|2,0,0]=4 9025 B10R0.57 CCN(C)C(=O)NCC(C)C 2708a_100000210953_100000225621 [0,2,0,0,0,0|2,0,0]=4 9026 B10R0.57 CCN(C)C(=O)NCC(C)C 273464a_100000210953_100000225621 [0,2,0,0,0,0|2,0,0]=4 9027 B10R0.57 CCN(C)C(=O)NCC(C)O 273464a_100000210904_100000225621 [0,2,0,0,0,0|2,0,0]=4 9028 B10R0.57 CNC(C)C(=O)NCC(C)C 2230a_100025753496_200000210301 [0,2,0,0,0,0|2,0,0]=4 9029 B10R0.57 CNC(C)C(=O)NCC(C)C 2230a_106832991635_100000230289 [0,2,0,0,0,0|2,0,0]=4 9030 B10R0.57 CNC(C)C(=O)NCC(C)C 34a_100025753496_200000210301 [0,2,0,0,0,0|2,0,0]=4 9031 B10R0.57 CNC(C)C(=O)NCC(C)C 34a_100102657272_100000230289 [0,2,0,0,0,0|2,0,0]=4 9032 B10R0.57 CNC(C)C(=O)NCC(C)C 7a_106832991635_100000230289 [0,2,0,0,0,0|2,0,0]=4 9033 B10R0.57 COC(C)C(=O)CCC(C)C 1458a_100000743197_100000210312 [0,2,0,0,0,0|2,0,0]=4 9034 B10R0.57 COC(C)C(=O)CCC(C)O 1458a_100000743197_100012276601 [0,2,0,0,0,0|2,0,0]=4 9035 B10R0.57 COC(C)C(=O)NCC(C)C 11a_100000210953_100000743197 [0,2,0,0,0,0|2,0,0]=4 9036 B10R0.57 COC(C)C(=O)NCC(C)C 1626a_100000210953_100000743197 [0,2,0,0,0,0|2,0,0]=4 9037 B10R0.57 COC(C)C(=O)NCC(C)C 240690a_100000210953_100000743197 [0,2,0,0,0,0|2,0,0]=4 9038 B10R0.57 COC(C)C(=O)NCC(C)C 34a_100138415774_100000230289 [0,2,0,0,0,0|2,0,0]=4 9039 B10R0.57 COC(C)C(=O)NCC(C)C 527a_100000210953_100000743197 [0,2,0,0,0,0|2,0,0]=4 9040 B10R0.57 COC(C)C(=O)NCC(C)O 11a_100000210904_100000743197 [0,2,0,0,0,0|2,0,0]=4 9041 B10R0.57 COC(C)C(=O)NCC(C)O 240690a_100000210904_100000743197 [0,2,0,0,0,0|2,0,0]=4 9042 B10R0.57 COC(C)C(=O)NCC(C)O 527a_100000210904_100000743197 [0,2,0,0,0,0|2,0,0]=4 9043 B10R0.57 CSC(C)C(=O)CCC(C)C 1458a_100000149566_100000210312 [0,2,0,0,0,0|2,0,0]=4 9044 B10R0.57 CSC(C)C(=O)CCC(C)O 1458a_100000149566_100012276601 [0,2,0,0,0,0|2,0,0]=4 9045 B10R0.57 CSC(C)C(=O)NCC(C)C 11a_100000210953_100000149566 [0,2,0,0,0,0|2,0,0]=4 9046 B10R0.57 CSC(C)C(=O)NCC(C)C 1626a_100000210953_100000149566 [0,2,0,0,0,0|2,0,0]=4 9047 B10R0.57 CSC(C)C(=O)NCC(C)C 240690a_100000210953_100000149566 [0,2,0,0,0,0|2,0,0]=4 9048 B10R0.57 CSC(C)C(=O)NCC(C)C 527a_100000210953_100000149566 [0,2,0,0,0,0|2,0,0]=4 9049 B10R0.57 CSC(C)C(=O)NCC(C)C 62a_100000230289_200000210301 [0,2,0,0,0,0|2,0,0]=4 9050 B10R0.57 CSC(C)C(=O)NCC(C)C 62a_200000210301_100000230289 [0,2,0,0,0,0|2,0,0]=4 9051 B10R0.57 CSC(C)C(=O)NCC(C)O 11a_100000210904_100000149566 [0,2,0,0,0,0|2,0,0]=4 9052 B10R0.57 CSC(C)C(=O)NCC(C)O 240690a_100000210904_100000149566 [0,2,0,0,0,0|2,0,0]=4 9053 B10R0.57 CSC(C)C(=O)NCC(C)O 527a_100000210904_100000149566 [0,2,0,0,0,0|2,0,0]=4 9054 B10R0.124 CCCNS(=O)(=O)C(C)CC 270084a_100020643023_100000685195 [0,2,0,0,0,0|2,0,0]=4 9055 B10R0.124 CCCNS(=O)(=O)C(C)CC 274078a_100020643023_100000685195 [0,2,0,0,0,0|2,0,0]=4 9056 B10R0.16 C#CC(CCCC)OCCC 34a_200011217967_100000210303 [0,2,0,0,0,0|1,0,1]=4 9057 B10R0.16 C#CC(CCCC)OCCC 7a_200011217967_100000210303 [0,2,0,0,0,0|1,0,1]=4 9058 B10R0.16 C=CC(CCCC)OCCC 34a_200011215037_100000210303 [0,2,0,0,0,0|1,0,1]=4 9059 B10R0.16 C=CC(CCCC)OCCC 7a_200011215037_100000210303 [0,2,0,0,0,0|1,0,1]=4 9060 B10R0.16 CCC/C=C(\CC)/CNCC 269862a_100015525214_100020616858 [0,2,0,0,0,0|2,0,0]=4 9061 B10R0.16 CCC/C=C(\CC)/COCC 34a_200015372368_100000210202 [0,2,0,0,0,0|2,0,0]=4 9062 B10R0.16 CCC/C=C(\CC)/COCC 7a_200015372368_100000210202 [0,2,0,0,0,0|2,0,0]=4 9063 B10R0.16 CCCCC(CC)OCCC 34a_100000210258_200011216223 [0,2,0,0,0,0|1,0,1]=4 9064 B10R0.16 CCCCC(CC)OCCC 34a_100011215227_100000210303 [0,2,0,0,0,0|1,0,1]=4 9065 B10R0.16 CCCCC(CC)OCCC 7a_100011215227_100000210303 [0,2,0,0,0,0|1,0,1]=4 9066 B10R0.16 CCCOC(CN)COCC 34a_102515437182_100000210303 [0,2,0,0,0,0|1,0,1]=4 9067 B10R0.78 C#CCCC(=O)CCC(C)C 1458a_100000181311_100000753159 [0,2,0,0,0,0|1,0,1]=4 9068 B10R0.78 C#CCCC(=O)CCC(C)C 1458a_100000692101_100000210312 [0,2,0,0,0,0|1,0,1]=4 9069 B10R0.78 C#CCCC(=O)CCC(C)O 1458a_100000692101_100012276601 [0,2,0,0,0,0|1,0,1]=4 9070 B10R0.78 C#CCCC(=O)NCC(C)C 11a_100000210953_100000692101 [0,2,0,0,0,0|1,0,1]=4 9071 B10R0.78 C#CCCC(=O)NCC(C)C 1626a_100000210953_100000692101 [0,2,0,0,0,0|1,0,1]=4 9072 B10R0.78 C#CCCC(=O)NCC(C)C 240690a_100000210953_100000692101 [0,2,0,0,0,0|1,0,1]=4 9073 B10R0.78 C#CCCC(=O)NCC(C)C 527a_100000210953_100000692101 [0,2,0,0,0,0|1,0,1]=4 9074 B10R0.78 C#CCCC(=O)NCC(C)O 11a_100000210904_100000692101 [0,2,0,0,0,0|1,0,1]=4 9075 B10R0.78 C#CCCC(=O)NCC(C)O 240690a_100000210904_100000692101 [0,2,0,0,0,0|1,0,1]=4 9076 B10R0.78 C#CCCC(=O)NCC(C)O 527a_100000210904_100000692101 [0,2,0,0,0,0|1,0,1]=4 9077 B10R0.78 C/C=C/CC(=O)CCC(C)C 1458a_100000181311_100102629194 [0,2,0,0,0,0|1,0,1]=4 9078 B10R0.78 C=C(C)CCC(=O)C#CCC 1458a_100011827653_100000730704 [0,2,0,0,0,0|1,0,1]=4 9079 B10R0.78 C=C(C)CCC(=O)C=CCC 1458a_100000212282_100000730704 [0,2,0,0,0,0|1,0,1]=4 9080 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,2,0,0,0,0|1,0,0]=3 9081 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,2,0,0,0,0|1,0,0]=3 9082 B10R0.78 C=C(C)CCC(=O)CCCF 1458a_200000688413_100011934791 [0,2,0,0,0,0|1,0,1]=4 9083 B10R0.78 C=C(C)CCC(=O)CCCO 1458a_200000688413_100011215043 [0,2,0,0,0,0|1,0,1]=4 9084 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_100000749529_100000730704 [0,2,0,0,0,0|1,0,1]=4 9085 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_200000688413_100000233755 [0,2,0,0,0,0|1,0,1]=4 9086 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_100000174002_100000730704 [0,2,0,0,0,0|1,0,1]=4 9087 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_200000688413_100000751147 [0,2,0,0,0,0|1,0,1]=4 9088 B10R0.78 C=C(C)CCC(=O)COCC 1458a_100000211967_100000730704 [0,2,0,0,0,0|1,0,1]=4 9089 B10R0.78 C=C(C)CCC(=O)CSCC 1458a_100000230394_100000730704 [0,2,0,0,0,0|1,0,1]=4 9090 B10R0.78 C=C(C)CCC(=O)NCCC 11a_100020643023_200000688413 [0,2,0,0,0,0|1,0,0]=3 9091 B10R0.78 C=C(C)CCC(=O)NCCC 1626a_100020643023_200000688413 [0,2,0,0,0,0|1,0,0]=3 9092 B10R0.78 C=C(C)CCC(=O)NCCC 240690a_100020643023_200000688413 [0,2,0,0,0,0|1,0,0]=3 9093 B10R0.78 C=C(C)CCC(=O)NCCC 527a_100020643023_200000688413 [0,2,0,0,0,0|1,0,0]=3 9094 B10R0.78 C=C(C)CCC(=O)NCCF 11a_100000724931_200000688413 [0,2,0,0,0,0|2,0,0]=4 9095 B10R0.78 C=C(C)CCC(=O)NCCF 1626a_100000724931_200000688413 [0,2,0,0,0,0|2,0,0]=4 9096 B10R0.78 C=C(C)CCC(=O)NCCF 240690a_100000724931_200000688413 [0,2,0,0,0,0|2,0,0]=4 9097 B10R0.78 C=C(C)CCC(=O)NCCF 527a_100000724931_200000688413 [0,2,0,0,0,0|2,0,0]=4 9098 B10R0.78 C=C(C)CCC(=O)NCCO 240690a_100000210304_200000688413 [0,2,0,0,0,0|2,0,0]=4 9099 B10R0.78 C=C(C)CCC(=O)NCCO 527a_100000210304_200000688413 [0,2,0,0,0,0|2,0,0]=4 9100 B10R0.78 C=C(C)CCC(=O)NNCC 22a_100000756455_200000688413 [0,2,0,0,0,0|2,0,0]=4 9101 B10R0.78 C=C(C)CNC(=O)CCCC 11a_100000765925_100000210183 [0,2,0,0,0,0|1,0,1]=4 9102 B10R0.78 C=C(C)CNC(=O)CCCC 1626a_100000765925_100000210183 [0,2,0,0,0,0|1,0,1]=4 9103 B10R0.78 C=C(C)CNC(=O)CCCC 240690a_100000765925_100000210183 [0,2,0,0,0,0|1,0,1]=4 9104 B10R0.78 C=C(C)CNC(=O)CCCC 527a_100000765925_100000210183 [0,2,0,0,0,0|1,0,1]=4 9105 B10R0.78 C=C(C)CNC(=O)CCOC 11a_100000765925_100000749529 [0,2,0,0,0,0|1,0,1]=4 9106 B10R0.78 C=C(C)CNC(=O)CCOC 1626a_100000765925_100000749529 [0,2,0,0,0,0|1,0,1]=4 9107 B10R0.78 C=C(C)CNC(=O)CCOC 240690a_100000765925_100000749529 [0,2,0,0,0,0|1,0,1]=4 9108 B10R0.78 C=C(C)CNC(=O)CCOC 527a_100000765925_100000749529 [0,2,0,0,0,0|1,0,1]=4 9109 B10R0.78 C=C(C)CNC(=O)CCSC 11a_100000765925_100000174002 [0,2,0,0,0,0|1,0,1]=4 9110 B10R0.78 C=C(C)CNC(=O)CCSC 1626a_100000765925_100000174002 [0,2,0,0,0,0|1,0,1]=4 9111 B10R0.78 C=C(C)CNC(=O)CCSC 240690a_100000765925_100000174002 [0,2,0,0,0,0|1,0,1]=4 9112 B10R0.78 C=C(C)CNC(=O)CCSC 527a_100000765925_100000174002 [0,2,0,0,0,0|1,0,1]=4 9113 B10R0.78 C=C(C)CNC(=O)COCC 11a_100000765925_100000211967 [0,2,0,0,0,0|1,0,1]=4 9114 B10R0.78 C=C(C)CNC(=O)COCC 1626a_100000765925_100000211967 [0,2,0,0,0,0|1,0,1]=4 9115 B10R0.78 C=C(C)CNC(=O)COCC 240690a_100000765925_100000211967 [0,2,0,0,0,0|1,0,1]=4 9116 B10R0.78 C=C(C)CNC(=O)COCC 527a_100000765925_100000211967 [0,2,0,0,0,0|1,0,1]=4 9117 B10R0.78 C=C(C)CNC(=O)CSCC 11a_100000765925_100000230394 [0,2,0,0,0,0|1,0,1]=4 9118 B10R0.78 C=C(C)CNC(=O)CSCC 1626a_100000765925_100000230394 [0,2,0,0,0,0|1,0,1]=4 9119 B10R0.78 C=C(C)CNC(=O)CSCC 240690a_100000765925_100000230394 [0,2,0,0,0,0|1,0,1]=4 9120 B10R0.78 C=C(C)CNC(=O)CSCC 527a_100000765925_100000230394 [0,2,0,0,0,0|1,0,1]=4 9121 B10R0.78 C=C(C)CNC(=O)NCCC 2708a_100000765925_100020643023 [0,2,0,0,0,0|1,0,1]=4 9122 B10R0.78 C=C(C)CNC(=O)NCCC 2708a_100020643023_100000765925 [0,2,0,0,0,0|1,0,1]=4 9123 B10R0.78 C=C(C)CNC(=O)NCCC 273464a_100000765925_100020643023 [0,2,0,0,0,0|1,0,1]=4 9124 B10R0.78 C=C(C)CNC(=O)NCCC 273464a_100020643023_100000765925 [0,2,0,0,0,0|1,0,1]=4 9125 B10R0.78 C=C(C)CNC(=O)NCCC 512a_100000765925_100020643023 [0,2,0,0,0,0|1,0,1]=4 9126 B10R0.78 C=C(C)CNC(=O)NCCC 512a_100020643023_100000765925 [0,2,0,0,0,0|1,0,1]=4 9127 B10R0.78 C=C(CNC(C)C)OCOC 34a_100138425928_100000042856 [0,2,0,0,0,0|2,0,0]=4 9128 B10R0.78 C=C(COC(C)C)OCOC 34a_100000212225_100000042856 [0,2,0,0,0,0|2,0,0]=4 9129 B10R0.78 C=C(CSC(C)C)OCOC 62a_100000042856_100000210206 [0,2,0,0,0,0|2,0,0]=4 9130 B10R0.78 C=C(CSC(C)C)OCOC 62a_100000210206_100000042856 [0,2,0,0,0,0|2,0,0]=4 9131 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000181311_100000754431 [0,2,0,0,0,0|1,0,1]=4 9132 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000749702_100000210312 [0,2,0,0,0,0|1,0,1]=4 9133 B10R0.78 C=CCCC(=O)CCC(C)O 1458a_100000749702_100012276601 [0,2,0,0,0,0|1,0,1]=4 9134 B10R0.78 C=CCCC(=O)NCC(C)C 11a_100000210953_100000749702 [0,2,0,0,0,0|1,0,1]=4 9135 B10R0.78 C=CCCC(=O)NCC(C)C 1626a_100000210953_100000749702 [0,2,0,0,0,0|1,0,1]=4 9136 B10R0.78 C=CCCC(=O)NCC(C)C 240690a_100000210953_100000749702 [0,2,0,0,0,0|1,0,1]=4 9137 B10R0.78 C=CCCC(=O)NCC(C)C 527a_100000210953_100000749702 [0,2,0,0,0,0|1,0,1]=4 9138 B10R0.78 C=CCCC(=O)NCC(C)O 11a_100000210904_100000749702 [0,2,0,0,0,0|1,0,1]=4 9139 B10R0.78 C=CCCC(=O)NCC(C)O 240690a_100000210904_100000749702 [0,2,0,0,0,0|1,0,1]=4 9140 B10R0.78 C=CCCC(=O)NCC(C)O 527a_100000210904_100000749702 [0,2,0,0,0,0|1,0,1]=4 9141 B10R0.78 C=CCOC(=O)CNC(C)C 2230a_100138425928_100000033060 [0,2,0,0,0,0|0,0,2]=4 9142 B10R0.78 C=CCOC(=O)CNC(C)C 34a_100138425928_100000033060 [0,2,0,0,0,0|0,0,2]=4 9143 B10R0.78 C=CCOC(=O)COC(C)C 34a_100000212225_100000033060 [0,2,0,0,0,0|0,0,2]=4 9144 B10R0.78 C=CCOC(=O)CSC(C)C 62a_100000033060_100000210206 [0,2,0,0,0,0|0,0,2]=4 9145 B10R0.78 C=CCOC(=O)CSC(C)C 62a_100000210206_100000033060 [0,2,0,0,0,0|0,0,2]=4 9146 B10R0.78 CC#CCC(=O)CCC(C)C 1458a_100000181311_100000748600 [0,2,0,0,0,0|1,0,1]=4 9147 B10R0.78 CC(C)C=CC(=O)CCCF 1458a_100016268746_100011934791 [0,2,0,0,0,0|1,0,1]=4 9148 B10R0.78 CC(C)C=CC(=O)CCCO 1458a_100016268746_100011215043 [0,2,0,0,0,0|1,0,1]=4 9149 B10R0.78 CC(C)CCC(=O)CCC#N 1458a_100000181311_100011215226 [0,2,0,0,0,0|1,0,1]=4 9150 B10R0.78 CC(C)CCC(=O)CCC#N 1458a_100011934036_100000210312 [0,2,0,0,0,0|1,0,1]=4 9151 B10R0.78 CC(C)CCC(=O)CCCF 1458a_100000181311_100011934791 [0,2,0,0,0,0|1,0,0]=3 9152 B10R0.78 CC(C)CCC(=O)CCCO 1458a_100000181311_100011215043 [0,2,0,0,0,0|1,0,0]=3 9153 B10R0.78 CC(C)CCC(=O)NCCF 11a_100000724931_100000181311 [0,2,0,0,0,0|2,0,0]=4 9154 B10R0.78 CC(C)CCC(=O)NCCF 1626a_100000724931_100000181311 [0,2,0,0,0,0|2,0,0]=4 9155 B10R0.78 CC(C)CCC(=O)NCCF 240690a_100000724931_100000181311 [0,2,0,0,0,0|2,0,0]=4 9156 B10R0.78 CC(C)CCC(=O)NCCF 527a_100000724931_100000181311 [0,2,0,0,0,0|2,0,0]=4 9157 B10R0.78 CC(C)CCC(=O)NCCO 240690a_100000210304_100000181311 [0,2,0,0,0,0|2,0,0]=4 9158 B10R0.78 CC(C)CCC(=O)NCCO 527a_100000210304_100000181311 [0,2,0,0,0,0|2,0,0]=4 9159 B10R0.78 CC(C)CNC(=O)CCC#N 11a_100000210953_100011934036 [0,2,0,0,0,0|1,0,1]=4 9160 B10R0.78 CC(C)CNC(=O)CCC#N 1626a_100000210953_100011934036 [0,2,0,0,0,0|1,0,1]=4 9161 B10R0.78 CC(C)CNC(=O)CCC#N 240690a_100000210953_100011934036 [0,2,0,0,0,0|1,0,1]=4 9162 B10R0.78 CC(C)CNC(=O)CCC#N 527a_100000210953_100011934036 [0,2,0,0,0,0|1,0,1]=4 9163 B10R0.78 CC(C)CNC(=O)CSCF 62a_100000183291_100015361967 [0,2,0,0,0,0|2,0,0]=4 9164 B10R0.78 CC(C)CNC(=O)CSCF 62a_100015361967_100000183291 [0,2,0,0,0,0|2,0,0]=4 9165 B10R0.78 CC(C)CNC(=O)NCCF 2708a_100000210953_100000724931 [0,2,0,0,0,0|2,0,0]=4 9166 B10R0.78 CC(C)CNC(=O)NCCF 273464a_100000210953_100000724931 [0,2,0,0,0,0|2,0,0]=4 9167 B10R0.78 CC(C)CNC(=O)NCCF 273464a_100000724931_100000210953 [0,2,0,0,0,0|2,0,0]=4 9168 B10R0.78 CC(C)CNC(=O)NCCF 512a_100000210953_100000724931 [0,2,0,0,0,0|2,0,0]=4 9169 B10R0.78 CC(C)CNC(=O)NCCO 2708a_100000210953_100000210304 [0,2,0,0,0,0|2,0,0]=4 9170 B10R0.78 CC(C)CNC(=O)NCCO 273464a_100000210304_100000210953 [0,2,0,0,0,0|2,0,0]=4 9171 B10R0.78 CC(C)CNC(=O)NCCO 273464a_100000210953_100000210304 [0,2,0,0,0,0|2,0,0]=4 9172 B10R0.78 CC(C)CNC(=O)NCCO 512a_100000210953_100000210304 [0,2,0,0,0,0|2,0,0]=4 9173 B10R0.78 CC(C)COC(C)CCCCl 34a_200000718107_100000210624 [0,2,0,0,0,0|1,0,1]=4 9174 B10R0.78 CC(C)COC(C)CCCCl 7a_200000718107_100000210760 [0,2,0,0,0,0|1,0,1]=4 9175 B10R0.78 CC(C)NCC(=O)NCCF 2230a_100000725713_100000210206 [0,2,0,0,0,0|2,0,0]=4 9176 B10R0.78 CC(C)OCC(=O)CCCF 1458a_100000745533_100011934791 [0,2,0,0,0,0|2,0,0]=4 9177 B10R0.78 CC(C)OCC(=O)CCCO 1458a_100000745533_100011215043 [0,2,0,0,0,0|2,0,0]=4 9178 B10R0.78 CC(C)OCC(=O)NCCF 11a_100000724931_100000745533 [0,2,0,0,0,0|2,0,0]=4 9179 B10R0.78 CC(C)OCC(=O)NCCF 1626a_100000724931_100000745533 [0,2,0,0,0,0|2,0,0]=4 9180 B10R0.78 CC(C)OCC(=O)NCCF 240690a_100000724931_100000745533 [0,2,0,0,0,0|2,0,0]=4 9181 B10R0.78 CC(C)OCC(=O)NCCF 527a_100000724931_100000745533 [0,2,0,0,0,0|2,0,0]=4 9182 B10R0.78 CC(C)OCC(=O)NCCO 240690a_100000210304_100000745533 [0,2,0,0,0,0|2,0,0]=4 9183 B10R0.78 CC(C)OCC(=O)NCCO 527a_100000210304_100000745533 [0,2,0,0,0,0|2,0,0]=4 9184 B10R0.78 CC(C)SCC(=O)CCCF 1458a_100000241585_100011934791 [0,2,0,0,0,0|2,0,0]=4 9185 B10R0.78 CC(C)SCC(=O)CCCO 1458a_100000241585_100011215043 [0,2,0,0,0,0|2,0,0]=4 9186 B10R0.78 CC(C)SCC(=O)NCCF 11a_100000724931_100000241585 [0,2,0,0,0,0|2,0,0]=4 9187 B10R0.78 CC(C)SCC(=O)NCCF 1626a_100000724931_100000241585 [0,2,0,0,0,0|2,0,0]=4 9188 B10R0.78 CC(C)SCC(=O)NCCF 240690a_100000724931_100000241585 [0,2,0,0,0,0|2,0,0]=4 9189 B10R0.78 CC(C)SCC(=O)NCCF 527a_100000724931_100000241585 [0,2,0,0,0,0|2,0,0]=4 9190 B10R0.78 CC(C)SCC(=O)NCCO 240690a_100000210304_100000241585 [0,2,0,0,0,0|2,0,0]=4 9191 B10R0.78 CC(C)SCC(=O)NCCO 527a_100000210304_100000241585 [0,2,0,0,0,0|2,0,0]=4 9192 B10R0.78 CC(CCCCl)OC[C@@H](C)O 34a_200000718107_100009817552 [0,2,0,0,0,0|1,0,1]=4 9193 B10R0.78 CC(CCCCl)OC[C@@H](C)O 7a_200000718107_100009817552 [0,2,0,0,0,0|1,0,1]=4 9194 B10R0.78 CC(O)CCC(=O)CCC#N 1458a_100011934036_100012276601 [0,2,0,0,0,0|1,0,1]=4 9195 B10R0.78 CC(O)CCC(=O)NCCF 1626a_100000724931_100000718519 [0,2,0,0,0,0|2,0,0]=4 9196 B10R0.78 CC(O)CNC(=O)CCC#N 11a_100000210904_100011934036 [0,2,0,0,0,0|1,0,1]=4 9197 B10R0.78 CC(O)CNC(=O)CCC#N 240690a_100000210904_100011934036 [0,2,0,0,0,0|1,0,1]=4 9198 B10R0.78 CC(O)CNC(=O)CCC#N 527a_100000210904_100011934036 [0,2,0,0,0,0|1,0,1]=4 9199 B10R0.78 CC(O)CNC(=O)NCCF 273464a_100000210904_100000724931 [0,2,0,0,0,0|2,0,0]=4 9200 B10R0.78 CC(O)CNC(=O)NCCF 273464a_100000724931_100000210904 [0,2,0,0,0,0|2,0,0]=4 9201 B10R0.78 CC(O)CNC(=O)NCCF 512a_100000210904_100000724931 [0,2,0,0,0,0|2,0,0]=4 9202 B10R0.78 CC(O)CNC(=O)NCCO 273464a_100000210304_100000210904 [0,2,0,0,0,0|2,0,0]=4 9203 B10R0.78 CC(O)CNC(=O)NCCO 273464a_100000210904_100000210304 [0,2,0,0,0,0|2,0,0]=4 9204 B10R0.78 CC(O)CNC(=O)NCCO 512a_100000210904_100000210304 [0,2,0,0,0,0|2,0,0]=4 9205 B10R0.78 CC(O)COC(C)CCCCl 34a_200000718107_100011218427 [0,2,0,0,0,0|1,0,1]=4 9206 B10R0.78 CC(O)COC(C)CCCCl 7a_200000718107_100011218427 [0,2,0,0,0,0|1,0,1]=4 9207 B10R0.78 CC=CCC(=O)CCC(C)C 1458a_100000181311_100000070051 [0,2,0,0,0,0|1,0,1]=4 9208 B10R0.78 CC=CCC(=O)CCC(C)C 1458a_100121576822_100000210312 [0,2,0,0,0,0|1,0,1]=4 9209 B10R0.78 CC=CCC(=O)CCC(C)O 1458a_100121576822_100012276601 [0,2,0,0,0,0|1,0,1]=4 9210 B10R0.78 CC=CCC(=O)NCC(C)C 11a_100000210953_100121576822 [0,2,0,0,0,0|1,0,1]=4 9211 B10R0.78 CC=CCC(=O)NCC(C)C 1626a_100000210953_100121576822 [0,2,0,0,0,0|1,0,1]=4 9212 B10R0.78 CC=CCC(=O)NCC(C)C 240690a_100000210953_100121576822 [0,2,0,0,0,0|1,0,1]=4 9213 B10R0.78 CC=CCC(=O)NCC(C)C 527a_100000210953_100121576822 [0,2,0,0,0,0|1,0,1]=4 9214 B10R0.78 CC=CCC(=O)NCC(C)O 11a_100000210904_100121576822 [0,2,0,0,0,0|1,0,1]=4 9215 B10R0.78 CC=CCC(=O)NCC(C)O 240690a_100000210904_100121576822 [0,2,0,0,0,0|1,0,1]=4 9216 B10R0.78 CC=CCC(=O)NCC(C)O 527a_100000210904_100121576822 [0,2,0,0,0,0|1,0,1]=4 9217 B10R0.78 CCC#CC(=O)CCC(C)C 1458a_100011827653_100000210312 [0,2,0,0,0,0|1,0,1]=4 9218 B10R0.78 CCC#CC(=O)CCC(C)O 1458a_100011827653_100012276601 [0,2,0,0,0,0|1,0,1]=4 9219 B10R0.78 CCC=CC(=O)CCC(C)C 1458a_100000212282_100000210312 [0,2,0,0,0,0|1,0,1]=4 9220 B10R0.78 CCC=CC(=O)CCC(C)O 1458a_100000212282_100012276601 [0,2,0,0,0,0|1,0,1]=4 9221 B10R0.78 CCC=CC(=O)NCC(C)C 11a_100000210953_100000212282 [0,2,0,0,0,0|1,0,1]=4 9222 B10R0.78 CCC=CC(=O)NCC(C)C 1626a_100000210953_100000212282 [0,2,0,0,0,0|1,0,1]=4 9223 B10R0.78 CCC=CC(=O)NCC(C)C 240690a_100000210953_100000212282 [0,2,0,0,0,0|1,0,1]=4 9224 B10R0.78 CCC=CC(=O)NCC(C)O 11a_100000210904_100000212282 [0,2,0,0,0,0|1,0,1]=4 9225 B10R0.78 CCC=CC(=O)NCC(C)O 240690a_100000210904_100000212282 [0,2,0,0,0,0|1,0,1]=4 9226 B10R0.78 CCCCC(=O)C=CC(C)C 1458a_100016268746_100000210211 [0,2,0,0,0,0|1,0,1]=4 9227 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100000210183_100000761012 [0,2,0,0,0,0|1,0,1]=4 9228 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100011220947_100000210211 [0,2,0,0,0,0|1,0,1]=4 9229 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,2,0,0,0,0|1,0,1]=4 9230 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [0,2,0,0,0,0|1,0,0]=3 9231 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [0,2,0,0,0,0|1,0,0]=3 9232 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [0,2,0,0,0,0|1,0,0]=3 9233 B10R0.78 CCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210211 [0,2,0,0,0,0|2,0,0]=4 9234 B10R0.78 CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210211 [0,2,0,0,0,0|1,0,0]=3 9235 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,2,0,0,0,0|1,0,1]=4 9236 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,2,0,0,0,0|1,0,1]=4 9237 B10R0.78 CCCCC(=O)COC(C)C 1458a_100000745533_100000210211 [0,2,0,0,0,0|1,0,0]=3 9238 B10R0.78 CCCCC(=O)COC(F)F 1458a_200000719455_100000210211 [0,2,0,0,0,0|2,0,0]=4 9239 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,2,0,0,0,0|1,0,1]=4 9240 B10R0.78 CCCCC(=O)CSC(C)C 1458a_100000241585_100000210211 [0,2,0,0,0,0|1,0,0]=3 9241 B10R0.78 CCCCC(=O)CSC(F)F 1458a_114828291038_100000210211 [0,2,0,0,0,0|2,0,0]=4 9242 B10R0.78 CCCCC(=O)NCC(C)C 11a_100000210953_100000210183 [0,2,0,0,0,0|1,0,0]=3 9243 B10R0.78 CCCCC(=O)NCC(C)C 1626a_100000210953_100000210183 [0,2,0,0,0,0|1,0,0]=3 9244 B10R0.78 CCCCC(=O)NCC(C)C 240690a_100000210953_100000210183 [0,2,0,0,0,0|1,0,0]=3 9245 B10R0.78 CCCCC(=O)NCC(C)C 527a_100000210953_100000210183 [0,2,0,0,0,0|1,0,0]=3 9246 B10R0.78 CCCCC(=O)NCC(C)O 11a_100000210904_100000210183 [0,2,0,0,0,0|1,0,0]=3 9247 B10R0.78 CCCCC(=O)NCC(C)O 240690a_100000210904_100000210183 [0,2,0,0,0,0|1,0,0]=3 9248 B10R0.78 CCCCC(=O)NCC(C)O 527a_100000210904_100000210183 [0,2,0,0,0,0|1,0,0]=3 9249 B10R0.78 CCCCC(=O)NCC(F)F 11a_100000765723_100000210183 [0,2,0,0,0,0|2,0,0]=4 9250 B10R0.78 CCCCC(=O)NCC(F)F 1626a_100000765723_100000210183 [0,2,0,0,0,0|2,0,0]=4 9251 B10R0.78 CCCCC(=O)NCC(F)F 240690a_100000765723_100000210183 [0,2,0,0,0,0|2,0,0]=4 9252 B10R0.78 CCCCC(=O)NCC(F)F 527a_100000765723_100000210183 [0,2,0,0,0,0|2,0,0]=4 9253 B10R0.78 CCCCC(=O)NNC(C)C 22a_100000741168_100000210183 [0,2,0,0,0,0|2,0,0]=4 9254 B10R0.78 CCCCC(C)OCC(C)Br 34a_100012180447_200011215066 [0,2,0,0,0,0|1,0,1]=4 9255 B10R0.78 CCCCC(C)OCC(C)C 34a_100000210257_200011215066 [0,2,0,0,0,0|1,0,1]=4 9256 B10R0.78 CCCCC(C)OCC(C)C 34a_100000687866_100000210624 [0,2,0,0,0,0|1,0,1]=4 9257 B10R0.78 CCCCC(C)OCC(C)C 7a_100000687866_100000210760 [0,2,0,0,0,0|1,0,1]=4 9258 B10R0.78 CCCCC(C)OCC(C)F 34a_100015925927_200011215066 [0,2,0,0,0,0|1,0,1]=4 9259 B10R0.78 CCCCC(C)OCC(C)O 34a_100000687866_100011218427 [0,2,0,0,0,0|1,0,1]=4 9260 B10R0.78 CCCCC(C)OCC(C)O 7a_100000687866_100011218427 [0,2,0,0,0,0|1,0,1]=4 9261 B10R0.78 CCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011215066 [0,2,0,0,0,0|1,0,1]=4 9262 B10R0.78 CCCCC(C)OC[C@@H](C)N 34a_100000737577_200011215066 [0,2,0,0,0,0|1,0,1]=4 9263 B10R0.78 CCCCC(C)OC[C@@H](C)O 34a_100000687866_100009817552 [0,2,0,0,0,0|1,0,1]=4 9264 B10R0.78 CCCCC(C)OC[C@@H](C)O 7a_100000687866_100009817552 [0,2,0,0,0,0|1,0,1]=4 9265 B10R0.78 CCCNC(=O)C=CC(C)C 11a_100020643023_100016268746 [0,2,0,0,0,0|1,0,1]=4 9266 B10R0.78 CCCNC(=O)C=CC(C)C 1626a_100020643023_100016268746 [0,2,0,0,0,0|1,0,1]=4 9267 B10R0.78 CCCNC(=O)C=CC(C)C 240690a_100020643023_100016268746 [0,2,0,0,0,0|1,0,1]=4 9268 B10R0.78 CCCNC(=O)CC=C(C)C 11a_100020643023_100011220947 [0,2,0,0,0,0|1,0,1]=4 9269 B10R0.78 CCCNC(=O)CC=C(C)C 1626a_100020643023_100011220947 [0,2,0,0,0,0|1,0,1]=4 9270 B10R0.78 CCCNC(=O)CC=C(C)C 240690a_100020643023_100011220947 [0,2,0,0,0,0|1,0,1]=4 9271 B10R0.78 CCCNC(=O)CC=C(C)C 527a_100020643023_100011220947 [0,2,0,0,0,0|1,0,1]=4 9272 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [0,2,0,0,0,0|1,0,0]=3 9273 B10R0.78 CCCNC(=O)CCC(=O)N 240690a_100020643023_100011215257 [0,2,0,0,0,0|1,0,1]=4 9274 B10R0.78 CCCNC(=O)CCC(=O)N 527a_100020643023_100011215257 [0,2,0,0,0,0|1,0,1]=4 9275 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [0,2,0,0,0,0|1,0,0]=3 9276 B10R0.78 CCCNC(=O)CCC(C)C 11a_100020643023_100000181311 [0,2,0,0,0,0|1,0,0]=3 9277 B10R0.78 CCCNC(=O)CCC(C)C 1626a_100020643023_100000181311 [0,2,0,0,0,0|1,0,0]=3 9278 B10R0.78 CCCNC(=O)CCC(C)C 240690a_100020643023_100000181311 [0,2,0,0,0,0|1,0,0]=3 9279 B10R0.78 CCCNC(=O)CCC(C)C 527a_100020643023_100000181311 [0,2,0,0,0,0|1,0,0]=3 9280 B10R0.78 CCCNC(=O)CCC(C)O 1626a_100020643023_100000718519 [0,2,0,0,0,0|1,0,0]=3 9281 B10R0.78 CCCNC(=O)CCN(C)C 11a_100020643023_100000689311 [0,2,0,0,0,0|1,0,0]=3 9282 B10R0.78 CCCNC(=O)CCN(C)C 240690a_100020643023_100000689311 [0,2,0,0,0,0|1,0,0]=3 9283 B10R0.78 CCCNC(=O)CCN(C)C 527a_100020643023_100000689311 [0,2,0,0,0,0|1,0,0]=3 9284 B10R0.78 CCCNC(=O)CC[N+](=O)[O-] 11a_100020643023_200000064761 [0,2,0,0,0,0|2,0,0]=4 9285 B10R0.78 CCCNC(=O)CC[N+](=O)[O-] 1626a_100020643023_200000064761 [0,2,0,0,0,0|2,0,0]=4 9286 B10R0.78 CCCNC(=O)CC[N+](=O)[O-] 240690a_100020643023_200000064761 [0,2,0,0,0,0|2,0,0]=4 9287 B10R0.78 CCCNC(=O)CC[S+](C)C 11a_100020643023_100009452791 [0,2,0,0,0,0|1,0,0]=3 9288 B10R0.78 CCCNC(=O)CC[S+](C)C 1626a_100020643023_100009452791 [0,2,0,0,0,0|1,0,0]=3 9289 B10R0.78 CCCNC(=O)CC[S+](C)C 240690a_100020643023_100009452791 [0,2,0,0,0,0|1,0,0]=3 9290 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100000174927_100015343762 [0,2,0,0,0,0|1,0,1]=4 9291 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100020643023_100000194580 [0,2,0,0,0,0|1,0,1]=4 9292 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100000174927_100015343762 [0,2,0,0,0,0|1,0,1]=4 9293 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100020643023_100000194580 [0,2,0,0,0,0|1,0,1]=4 9294 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100000174927_100015343762 [0,2,0,0,0,0|1,0,1]=4 9295 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100020643023_100000194580 [0,2,0,0,0,0|1,0,1]=4 9296 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100000174927_100103153847 [0,2,0,0,0,0|1,0,1]=4 9297 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100020643023_100000194580 [0,2,0,0,0,0|1,0,1]=4 9298 B10R0.78 CCCNC(=O)CNC(C)C 2230a_100000174927_100000210206 [0,2,0,0,0,0|1,0,0]=3 9299 B10R0.78 CCCNC(=O)CNC(C)C 2230a_100138425928_100000183358 [0,2,0,0,0,0|1,0,0]=3 9300 B10R0.78 CCCNC(=O)CNC(C)C 34a_100138425928_100000183358 [0,2,0,0,0,0|1,0,0]=3 9301 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 9302 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 9303 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 9304 B10R0.78 CCCNC(=O)COC(C)C 11a_100020643023_100000745533 [0,2,0,0,0,0|1,0,0]=3 9305 B10R0.78 CCCNC(=O)COC(C)C 1626a_100020643023_100000745533 [0,2,0,0,0,0|1,0,0]=3 9306 B10R0.78 CCCNC(=O)COC(C)C 240690a_100020643023_100000745533 [0,2,0,0,0,0|1,0,0]=3 9307 B10R0.78 CCCNC(=O)COC(C)C 34a_100000212225_100000183358 [0,2,0,0,0,0|1,0,0]=3 9308 B10R0.78 CCCNC(=O)COC(C)C 527a_100020643023_100000745533 [0,2,0,0,0,0|1,0,0]=3 9309 B10R0.78 CCCNC(=O)COC(F)F 11a_100020643023_200000719455 [0,2,0,0,0,0|2,0,0]=4 9310 B10R0.78 CCCNC(=O)COC(F)F 1626a_100020643023_200000719455 [0,2,0,0,0,0|2,0,0]=4 9311 B10R0.78 CCCNC(=O)COC(F)F 240690a_100020643023_200000719455 [0,2,0,0,0,0|2,0,0]=4 9312 B10R0.78 CCCNC(=O)COC(F)F 527a_100020643023_200000719455 [0,2,0,0,0,0|2,0,0]=4 9313 B10R0.78 CCCNC(=O)CSC(=O)C 11a_100020643023_100000049016 [0,2,0,0,0,0|1,0,1]=4 9314 B10R0.78 CCCNC(=O)CSC(=O)C 1626a_100020643023_100000049016 [0,2,0,0,0,0|1,0,1]=4 9315 B10R0.78 CCCNC(=O)CSC(=O)C 240690a_100020643023_100000049016 [0,2,0,0,0,0|1,0,1]=4 9316 B10R0.78 CCCNC(=O)CSC(C)C 11a_100020643023_100000241585 [0,2,0,0,0,0|1,0,0]=3 9317 B10R0.78 CCCNC(=O)CSC(C)C 1626a_100020643023_100000241585 [0,2,0,0,0,0|1,0,0]=3 9318 B10R0.78 CCCNC(=O)CSC(C)C 240690a_100020643023_100000241585 [0,2,0,0,0,0|1,0,0]=3 9319 B10R0.78 CCCNC(=O)CSC(C)C 527a_100020643023_100000241585 [0,2,0,0,0,0|1,0,0]=3 9320 B10R0.78 CCCNC(=O)CSC(C)C 62a_100000183358_100000210206 [0,2,0,0,0,0|1,0,0]=3 9321 B10R0.78 CCCNC(=O)CSC(C)C 62a_100000210206_100000183358 [0,2,0,0,0,0|1,0,0]=3 9322 B10R0.78 CCCNC(=O)CSC(F)F 11a_100020643023_114828291038 [0,2,0,0,0,0|2,0,0]=4 9323 B10R0.78 CCCNC(=O)CSC(F)F 1626a_100020643023_114828291038 [0,2,0,0,0,0|2,0,0]=4 9324 B10R0.78 CCCNC(=O)CSC(F)F 240690a_100020643023_114828291038 [0,2,0,0,0,0|2,0,0]=4 9325 B10R0.78 CCCNC(=O)CSC(F)F 527a_100020643023_114828291038 [0,2,0,0,0,0|2,0,0]=4 9326 B10R0.78 CCCNC(=O)NCC(C)C 2708a_100000210953_100020643023 [0,2,0,0,0,0|1,0,0]=3 9327 B10R0.78 CCCNC(=O)NCC(C)C 2708a_100020643023_100000210953 [0,2,0,0,0,0|1,0,0]=3 9328 B10R0.78 CCCNC(=O)NCC(C)C 273464a_100000210953_100020643023 [0,2,0,0,0,0|1,0,0]=3 9329 B10R0.78 CCCNC(=O)NCC(C)C 273464a_100020643023_100000210953 [0,2,0,0,0,0|1,0,0]=3 9330 B10R0.78 CCCNC(=O)NCC(C)C 512a_100000210953_100020643023 [0,2,0,0,0,0|1,0,0]=3 9331 B10R0.78 CCCNC(=O)NCC(C)C 512a_100020643023_100000210953 [0,2,0,0,0,0|1,0,0]=3 9332 B10R0.78 CCCNC(=O)NCC(C)O 2708a_100020643023_100000210904 [0,2,0,0,0,0|1,0,0]=3 9333 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100000210904_100020643023 [0,2,0,0,0,0|1,0,0]=3 9334 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100020643023_100000210904 [0,2,0,0,0,0|1,0,0]=3 9335 B10R0.78 CCCNC(=O)NCC(C)O 512a_100000210904_100020643023 [0,2,0,0,0,0|1,0,0]=3 9336 B10R0.78 CCCNC(=O)NCC(C)O 512a_100020643023_100000210904 [0,2,0,0,0,0|1,0,0]=3 9337 B10R0.78 CCCNC(=O)NCC(F)F 2708a_100020643023_100000765723 [0,2,0,0,0,0|2,0,0]=4 9338 B10R0.78 CCCNC(=O)NCC(F)F 273464a_100000765723_100020643023 [0,2,0,0,0,0|2,0,0]=4 9339 B10R0.78 CCCNC(=O)NCC(F)F 273464a_100020643023_100000765723 [0,2,0,0,0,0|2,0,0]=4 9340 B10R0.78 CCCNC(=O)NCC(F)F 512a_100000765723_100020643023 [0,2,0,0,0,0|2,0,0]=4 9341 B10R0.78 CCCNC(=O)NCC(F)F 512a_100020643023_100000765723 [0,2,0,0,0,0|2,0,0]=4 9342 B10R0.78 CCCNC(=O)NNC(C)C 273464a_100020643023_100000741168 [0,2,0,0,0,0|2,0,0]=4 9343 B10R0.78 CCCNC(=O)NNC(C)C 512a_100000741168_100020643023 [0,2,0,0,0,0|2,0,0]=4 9344 B10R0.78 CCCNC(=O)NNC(C)C 512a_100020643023_100000741168 [0,2,0,0,0,0|2,0,0]=4 9345 B10R0.78 CCCOC(=O)CNC(C)C 2230a_100138425928_200011215008 [0,2,0,0,0,0|0,0,0]=2 9346 B10R0.78 CCCOC(=O)CNC(C)C 34a_100138425928_200011215008 [0,2,0,0,0,0|0,0,0]=2 9347 B10R0.78 CCCOC(=O)COC(C)C 34a_100000212225_200011215008 [0,2,0,0,0,0|0,0,0]=2 9348 B10R0.78 CCCOC(=O)CSC(C)C 62a_100000210206_200011215008 [0,2,0,0,0,0|0,0,0]=2 9349 B10R0.78 CCCOC(=O)CSC(C)C 62a_200011215008_100000210206 [0,2,0,0,0,0|0,0,0]=2 9350 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [0,2,0,0,0,0|0,0,1]=3 9351 B10R0.78 CCCOC(=O)OCN(C)C 269982a_100102631434_200000139673 [0,2,0,0,0,0|1,0,0]=3 9352 B10R0.78 CCCOC(C)CCC(C)C 34a_100000210258_100011261404 [0,2,0,0,0,0|1,0,1]=4 9353 B10R0.78 CCCOC(C)CCC(C)C 34a_100011215350_100000210303 [0,2,0,0,0,0|1,0,1]=4 9354 B10R0.78 CCCOC(C)CCC(C)C 7a_100011215350_100000210303 [0,2,0,0,0,0|1,0,1]=4 9355 B10R0.78 CCCOC(C)CNC(C)C 2230a_100015185124_100000210206 [0,2,0,0,0,0|1,0,1]=4 9356 B10R0.78 CCCOC(C)CNC(C)C 34a_100015185124_100000210206 [0,2,0,0,0,0|1,0,1]=4 9357 B10R0.78 CCNCC(=O)NCC(C)C 2230a_100015525214_100000183291 [0,2,0,0,0,0|1,0,0]=3 9358 B10R0.78 CCNNC(=O)CCC(C)C 22a_100000756455_100000181311 [0,2,0,0,0,0|2,0,0]=4 9359 B10R0.78 CCNNC(=O)CCN(C)C 22a_100000756455_100000689311 [0,2,0,0,0,0|2,0,0]=4 9360 B10R0.78 CCNNC(=O)CC[S+](C)C 22a_100000756455_100009452791 [0,2,0,0,0,0|2,0,0]=4 9361 B10R0.78 CCNNC(=O)COC(C)C 22a_100000756455_100000745533 [0,2,0,0,0,0|2,0,0]=4 9362 B10R0.78 CCNNC(=O)CSC(C)C 22a_100000756455_100000241585 [0,2,0,0,0,0|2,0,0]=4 9363 B10R0.78 CCNNC(=O)NCC(C)C 273464a_100000210953_100000756455 [0,2,0,0,0,0|2,0,0]=4 9364 B10R0.78 CCNNC(=O)NCC(C)C 512a_100000210953_100000756455 [0,2,0,0,0,0|2,0,0]=4 9365 B10R0.78 CCNNC(=O)NCC(C)C 512a_100000756455_100000210953 [0,2,0,0,0,0|2,0,0]=4 9366 B10R0.78 CCNNC(=O)NCC(C)O 273464a_100000210904_100000756455 [0,2,0,0,0,0|2,0,0]=4 9367 B10R0.78 CCNNC(=O)NCC(C)O 512a_100000210904_100000756455 [0,2,0,0,0,0|2,0,0]=4 9368 B10R0.78 CCNNC(=O)NCC(C)O 512a_100000756455_100000210904 [0,2,0,0,0,0|2,0,0]=4 9369 B10R0.78 CCOCC(=O)CCC(C)C 1458a_100000211967_100000210312 [0,2,0,0,0,0|1,0,0]=3 9370 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [0,2,0,0,0,0|1,0,0]=3 9371 B10R0.78 CCOCC(=O)NCC(C)C 11a_100000210953_100000211967 [0,2,0,0,0,0|1,0,0]=3 9372 B10R0.78 CCOCC(=O)NCC(C)C 1626a_100000210953_100000211967 [0,2,0,0,0,0|1,0,0]=3 9373 B10R0.78 CCOCC(=O)NCC(C)C 240690a_100000210953_100000211967 [0,2,0,0,0,0|1,0,0]=3 9374 B10R0.78 CCOCC(=O)NCC(C)C 34a_100121572206_100000183291 [0,2,0,0,0,0|1,0,0]=3 9375 B10R0.78 CCOCC(=O)NCC(C)C 527a_100000210953_100000211967 [0,2,0,0,0,0|1,0,0]=3 9376 B10R0.78 CCOCC(=O)NCC(C)O 11a_100000210904_100000211967 [0,2,0,0,0,0|1,0,0]=3 9377 B10R0.78 CCOCC(=O)NCC(C)O 240690a_100000210904_100000211967 [0,2,0,0,0,0|1,0,0]=3 9378 B10R0.78 CCOCC(=O)NCC(C)O 527a_100000210904_100000211967 [0,2,0,0,0,0|1,0,0]=3 9379 B10R0.78 CCOCC(=O)NCC(F)F 11a_100000765723_100000211967 [0,2,0,0,0,0|2,0,0]=4 9380 B10R0.78 CCOCC(=O)NCC(F)F 1626a_100000765723_100000211967 [0,2,0,0,0,0|2,0,0]=4 9381 B10R0.78 CCOCC(=O)NCC(F)F 240690a_100000765723_100000211967 [0,2,0,0,0,0|2,0,0]=4 9382 B10R0.78 CCOCC(=O)NCC(F)F 527a_100000765723_100000211967 [0,2,0,0,0,0|2,0,0]=4 9383 B10R0.78 CCOCC(=O)NNC(C)C 22a_100000741168_100000211967 [0,2,0,0,0,0|2,0,0]=4 9384 B10R0.78 CCOCC(C)OCC(C)C 34a_100000718985_100000210624 [0,2,0,0,0,0|1,0,1]=4 9385 B10R0.78 CCOCC(C)OCC(C)C 7a_100000718985_100000210760 [0,2,0,0,0,0|1,0,1]=4 9386 B10R0.78 CCOCC(C)OCC(C)O 34a_100000718985_100011218427 [0,2,0,0,0,0|1,0,1]=4 9387 B10R0.78 CCOCC(C)OCC(C)O 7a_100000718985_100011218427 [0,2,0,0,0,0|1,0,1]=4 9388 B10R0.78 CCOCC(C)OC[C@@H](C)O 34a_100000718985_100009817552 [0,2,0,0,0,0|1,0,1]=4 9389 B10R0.78 CCOCC(C)OC[C@@H](C)O 7a_100000718985_100009817552 [0,2,0,0,0,0|1,0,1]=4 9390 B10R0.78 CCSCC(=O)CCC(C)C 1458a_100000230394_100000210312 [0,2,0,0,0,0|1,0,0]=3 9391 B10R0.78 CCSCC(=O)CCC(C)O 1458a_100000230394_100012276601 [0,2,0,0,0,0|1,0,0]=3 9392 B10R0.78 CCSCC(=O)NCC(C)C 11a_100000210953_100000230394 [0,2,0,0,0,0|1,0,0]=3 9393 B10R0.78 CCSCC(=O)NCC(C)C 1626a_100000210953_100000230394 [0,2,0,0,0,0|1,0,0]=3 9394 B10R0.78 CCSCC(=O)NCC(C)C 240690a_100000210953_100000230394 [0,2,0,0,0,0|1,0,0]=3 9395 B10R0.78 CCSCC(=O)NCC(C)C 527a_100000210953_100000230394 [0,2,0,0,0,0|1,0,0]=3 9396 B10R0.78 CCSCC(=O)NCC(C)C 62a_100000183291_100000210202 [0,2,0,0,0,0|1,0,0]=3 9397 B10R0.78 CCSCC(=O)NCC(C)C 62a_100000210202_100000183291 [0,2,0,0,0,0|1,0,0]=3 9398 B10R0.78 CCSCC(=O)NCC(C)O 11a_100000210904_100000230394 [0,2,0,0,0,0|1,0,0]=3 9399 B10R0.78 CCSCC(=O)NCC(C)O 240690a_100000210904_100000230394 [0,2,0,0,0,0|1,0,0]=3 9400 B10R0.78 CCSCC(=O)NCC(C)O 527a_100000210904_100000230394 [0,2,0,0,0,0|1,0,0]=3 9401 B10R0.78 CCSCC(=O)NCC(F)F 11a_100000765723_100000230394 [0,2,0,0,0,0|2,0,0]=4 9402 B10R0.78 CCSCC(=O)NCC(F)F 1626a_100000765723_100000230394 [0,2,0,0,0,0|2,0,0]=4 9403 B10R0.78 CCSCC(=O)NCC(F)F 240690a_100000765723_100000230394 [0,2,0,0,0,0|2,0,0]=4 9404 B10R0.78 CCSCC(=O)NCC(F)F 527a_100000765723_100000230394 [0,2,0,0,0,0|2,0,0]=4 9405 B10R0.78 CCSCC(=O)NNC(C)C 22a_100000741168_100000230394 [0,2,0,0,0,0|2,0,0]=4 9406 B10R0.78 CN(C)CCC(=O)NCCF 11a_100000724931_100000689311 [0,2,0,0,0,0|2,0,0]=4 9407 B10R0.78 CN(C)CCC(=O)NCCF 240690a_100000724931_100000689311 [0,2,0,0,0,0|2,0,0]=4 9408 B10R0.78 CN(C)CCC(=O)NCCF 527a_100000724931_100000689311 [0,2,0,0,0,0|2,0,0]=4 9409 B10R0.78 CN(C)CCC(=O)NCCO 240690a_100000210304_100000689311 [0,2,0,0,0,0|2,0,0]=4 9410 B10R0.78 CN(C)CCC(=O)NCCO 527a_100000210304_100000689311 [0,2,0,0,0,0|2,0,0]=4 9411 B10R0.78 COCCC(=O)C=CC(C)C 1458a_100016268746_100000233755 [0,2,0,0,0,0|1,0,1]=4 9412 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000181311_100000233755 [0,2,0,0,0,0|1,0,0]=3 9413 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000749529_100000210312 [0,2,0,0,0,0|1,0,0]=3 9414 B10R0.78 COCCC(=O)CCC(C)O 1458a_100000749529_100012276601 [0,2,0,0,0,0|1,0,0]=3 9415 B10R0.78 COCCC(=O)CC[S+](C)C 1458a_100009452791_100000233755 [0,2,0,0,0,0|2,0,0]=4 9416 B10R0.78 COCCC(=O)COC(C)C 1458a_100000745533_100000233755 [0,2,0,0,0,0|2,0,0]=4 9417 B10R0.78 COCCC(=O)CSC(C)C 1458a_100000241585_100000233755 [0,2,0,0,0,0|2,0,0]=4 9418 B10R0.78 COCCC(=O)NCC(C)C 11a_100000210953_100000749529 [0,2,0,0,0,0|1,0,0]=3 9419 B10R0.78 COCCC(=O)NCC(C)C 1626a_100000210953_100000749529 [0,2,0,0,0,0|1,0,0]=3 9420 B10R0.78 COCCC(=O)NCC(C)C 240690a_100000210953_100000749529 [0,2,0,0,0,0|1,0,0]=3 9421 B10R0.78 COCCC(=O)NCC(C)C 527a_100000210953_100000749529 [0,2,0,0,0,0|1,0,0]=3 9422 B10R0.78 COCCC(=O)NCC(C)O 11a_100000210904_100000749529 [0,2,0,0,0,0|1,0,0]=3 9423 B10R0.78 COCCC(=O)NCC(C)O 240690a_100000210904_100000749529 [0,2,0,0,0,0|1,0,0]=3 9424 B10R0.78 COCCC(=O)NCC(C)O 527a_100000210904_100000749529 [0,2,0,0,0,0|1,0,0]=3 9425 B10R0.78 COCCC(=O)NCC(F)F 11a_100000765723_100000749529 [0,2,0,0,0,0|2,0,0]=4 9426 B10R0.78 COCCC(=O)NCC(F)F 1626a_100000765723_100000749529 [0,2,0,0,0,0|2,0,0]=4 9427 B10R0.78 COCCC(=O)NCC(F)F 240690a_100000765723_100000749529 [0,2,0,0,0,0|2,0,0]=4 9428 B10R0.78 COCCC(=O)NCC(F)F 527a_100000765723_100000749529 [0,2,0,0,0,0|2,0,0]=4 9429 B10R0.78 COCCC(=O)NNC(C)C 22a_100000741168_100000749529 [0,2,0,0,0,0|2,0,0]=4 9430 B10R0.78 CSCCC(=O)C=CC(C)C 1458a_100016268746_100000751147 [0,2,0,0,0,0|1,0,1]=4 9431 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000174002_100000210312 [0,2,0,0,0,0|1,0,0]=3 9432 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000181311_100000751147 [0,2,0,0,0,0|1,0,0]=3 9433 B10R0.78 CSCCC(=O)CCC(C)O 1458a_100000174002_100012276601 [0,2,0,0,0,0|1,0,0]=3 9434 B10R0.78 CSCCC(=O)CC[S+](C)C 1458a_100009452791_100000751147 [0,2,0,0,0,0|2,0,0]=4 9435 B10R0.78 CSCCC(=O)COC(C)C 1458a_100000745533_100000751147 [0,2,0,0,0,0|2,0,0]=4 9436 B10R0.78 CSCCC(=O)CSC(C)C 1458a_100000241585_100000751147 [0,2,0,0,0,0|2,0,0]=4 9437 B10R0.78 CSCCC(=O)NCC(C)C 11a_100000210953_100000174002 [0,2,0,0,0,0|1,0,0]=3 9438 B10R0.78 CSCCC(=O)NCC(C)C 1626a_100000210953_100000174002 [0,2,0,0,0,0|1,0,0]=3 9439 B10R0.78 CSCCC(=O)NCC(C)C 240690a_100000210953_100000174002 [0,2,0,0,0,0|1,0,0]=3 9440 B10R0.78 CSCCC(=O)NCC(C)C 527a_100000210953_100000174002 [0,2,0,0,0,0|1,0,0]=3 9441 B10R0.78 CSCCC(=O)NCC(C)O 11a_100000210904_100000174002 [0,2,0,0,0,0|1,0,0]=3 9442 B10R0.78 CSCCC(=O)NCC(C)O 240690a_100000210904_100000174002 [0,2,0,0,0,0|1,0,0]=3 9443 B10R0.78 CSCCC(=O)NCC(C)O 527a_100000210904_100000174002 [0,2,0,0,0,0|1,0,0]=3 9444 B10R0.78 CSCCC(=O)NCC(F)F 11a_100000765723_100000174002 [0,2,0,0,0,0|2,0,0]=4 9445 B10R0.78 CSCCC(=O)NCC(F)F 1626a_100000765723_100000174002 [0,2,0,0,0,0|2,0,0]=4 9446 B10R0.78 CSCCC(=O)NCC(F)F 240690a_100000765723_100000174002 [0,2,0,0,0,0|2,0,0]=4 9447 B10R0.78 CSCCC(=O)NCC(F)F 527a_100000765723_100000174002 [0,2,0,0,0,0|2,0,0]=4 9448 B10R0.78 CSCCC(=O)NNC(C)C 22a_100000741168_100000174002 [0,2,0,0,0,0|2,0,0]=4 9449 B10R0.78 C[S+](C)CCC(=O)CCCF 1458a_100009452791_100011934791 [0,2,0,0,0,0|2,0,0]=4 9450 B10R0.78 C[S+](C)CCC(=O)CCCO 1458a_100009452791_100011215043 [0,2,0,0,0,0|2,0,0]=4 9451 B10R0.78 C[S+](C)CCC(=O)NCCF 11a_100000724931_100009452791 [0,2,0,0,0,0|2,0,0]=4 9452 B10R0.78 C[S+](C)CCC(=O)NCCF 1626a_100000724931_100009452791 [0,2,0,0,0,0|2,0,0]=4 9453 B10R0.78 C[S+](C)CCC(=O)NCCF 240690a_100000724931_100009452791 [0,2,0,0,0,0|2,0,0]=4 9454 B10R0.78 C[S+](C)CCC(=O)NCCO 240690a_100000210304_100009452791 [0,2,0,0,0,0|2,0,0]=4 9455 B10R0.116 CCCCC(C)(C)OCCC 7a_100011219641_100000210303 [0,2,0,0,0,0|1,0,1]=4 9456 B10R0.116 CCCCS(=O)(=O)NCCC 270084a_100020643023_100000212082 [0,2,0,0,0,0|2,0,0]=4 9457 B10R0.116 CCCCS(=O)(=O)NCCC 274078a_100020643023_100000212082 [0,2,0,0,0,0|2,0,0]=4 9458 B10R0.116 CCCCS(=O)(=O)NCCC 40a_100020643023_100000054263 [0,2,0,0,0,0|2,0,0]=4 9459 B10R0.116 CCCNS(=O)(=O)CCCCl 270084a_100020643023_100000211827 [0,2,0,0,0,0|2,0,0]=4 9460 B10R0.116 CCCNS(=O)(=O)CCCF 270084a_100020643023_200000759752 [0,2,0,0,0,0|2,0,0]=4 9461 B10R0.116 CCCNS(=O)(=O)CCCF 274078a_100020643023_200000759752 [0,2,0,0,0,0|2,0,0]=4 9462 B10R0.116 CCCNS(=O)(=O)CCOC 270084a_100020643023_100000745348 [0,2,0,0,0,0|2,0,0]=4 9463 B10R0.116 CCCNS(=O)(=O)CCOC 274078a_100020643023_100000745348 [0,2,0,0,0,0|2,0,0]=4 9464 B10R0.116 CCCOC(C)(C)CCCBr 7a_100009888830_100000210303 [0,2,0,0,0,0|1,0,1]=4 9465 B10R0.7 CCC(C)(C)CC(=O)CCF 1458a_200000763500_100011217306 [0,2,0,0,0,0|2,0,0]=4 9466 B10R0.7 CCC(C)(C)CC(=O)CCO 1458a_200000763500_100000211926 [0,2,0,0,0,0|2,0,0]=4 9467 B10R0.7 CCC(C)(C)NC(=O)CCO 240690a_100000211385_100011216618 [0,2,0,0,0,0|2,0,0]=4 9468 B10R0.7 CCC(C)(C)NC(=O)CNC 2230a_106832991635_100000230344 [0,2,0,0,0,0|2,0,0]=4 9469 B10R0.7 CCC(C)(C)NC(=O)CNC 34a_100102657272_100000230344 [0,2,0,0,0,0|2,0,0]=4 9470 B10R0.7 CCC(C)(C)NC(=O)CNC 7a_106832991635_100000230344 [0,2,0,0,0,0|2,0,0]=4 9471 B10R0.7 CCC(C)(C)NC(=O)COC 11a_100000211385_100000210968 [0,2,0,0,0,0|2,0,0]=4 9472 B10R0.7 CCC(C)(C)NC(=O)COC 1626a_100000211385_100000210968 [0,2,0,0,0,0|2,0,0]=4 9473 B10R0.7 CCC(C)(C)NC(=O)COC 240690a_100000211385_100000210968 [0,2,0,0,0,0|2,0,0]=4 9474 B10R0.7 CCC(C)(C)NC(=O)COC 34a_100138415774_100000230344 [0,2,0,0,0,0|2,0,0]=4 9475 B10R0.7 CCC(C)(C)NC(=O)COC 527a_100000211385_100000210968 [0,2,0,0,0,0|2,0,0]=4 9476 B10R0.7 CCC(C)(C)NC(=O)CSC 11a_100000211385_100000184570 [0,2,0,0,0,0|2,0,0]=4 9477 B10R0.7 CCC(C)(C)NC(=O)CSC 1626a_100000211385_100000184570 [0,2,0,0,0,0|2,0,0]=4 9478 B10R0.7 CCC(C)(C)NC(=O)CSC 240690a_100000211385_100000184570 [0,2,0,0,0,0|2,0,0]=4 9479 B10R0.7 CCC(C)(C)NC(=O)CSC 527a_100000211385_100000184570 [0,2,0,0,0,0|2,0,0]=4 9480 B10R0.7 CCC(C)(C)NC(=O)CSC 62a_100000230344_200000210301 [0,2,0,0,0,0|2,0,0]=4 9481 B10R0.7 CCC(C)(C)NC(=O)CSC 62a_200000210301_100000230344 [0,2,0,0,0,0|2,0,0]=4 9482 B10R0.7 CCC(C)(C)NC(=O)CS[13CH3] 62a_100000230344_200025704644 [0,2,0,0,0,0|2,0,0]=4 9483 B10R0.7 CCC(C)(C)NC(=O)CS[13CH3] 62a_200025704644_100000230344 [0,2,0,0,0,0|2,0,0]=4 9484 B10R0.7 CCC(C)(O)CC(=O)CCF 1458a_200011219800_100011217306 [0,2,0,0,0,0|2,0,0]=4 9485 B10R0.7 CCC(C)(O)CC(=O)CCO 1458a_200011219800_100000211926 [0,2,0,0,0,0|2,0,0]=4 9486 B10R0.7 CCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210303 [0,2,0,0,0,0|1,0,0]=3 9487 B10R0.7 CCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210303 [0,2,0,0,0,0|1,0,0]=3 9488 B10R0.7 CCCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000210303 [0,2,0,0,0,0|2,0,0]=4 9489 B10R0.7 CCCC(=O)NC(C)(C)CC 11a_100000211385_100000211992 [0,2,0,0,0,0|1,0,0]=3 9490 B10R0.7 CCCC(=O)NC(C)(C)CC 1626a_100000211385_100000211992 [0,2,0,0,0,0|1,0,0]=3 9491 B10R0.7 CCCC(=O)NC(C)(C)CC 240690a_100000211385_100000211992 [0,2,0,0,0,0|1,0,0]=3 9492 B10R0.7 CCCC(=O)NC(C)(C)CC 527a_100000211385_100000211992 [0,2,0,0,0,0|1,0,0]=3 9493 B10R0.7 CCCC(=O)NC(C)(C)CO 240690a_100000210608_100000211992 [0,2,0,0,0,0|2,0,0]=4 9494 B10R0.7 CCCC(=O)NC(C)(C)CO 527a_100020618417_100000211992 [0,2,0,0,0,0|2,0,0]=4 9495 B10R0.7 CCCC(=O)NS(=O)(=O)CC 2740a_100000171174_100000211992 [0,2,0,0,0,0|2,0,0]=4 9496 B10R0.7 CCCC(C)OC(C)(C)CC 7a_100000210230_100000766640 [0,2,0,0,0,0|1,0,1]=4 9497 B10R0.7 CCCC(C)OC(C)(C)CC 7a_100000764384_100000210677 [0,2,0,0,0,0|1,0,1]=4 9498 B10R0.7 CCNC(=O)CC(C)(C)CC 11a_100015525214_200000763500 [0,2,0,0,0,0|2,0,0]=4 9499 B10R0.7 CCNC(=O)CC(C)(C)CC 240690a_100015525214_200000763500 [0,2,0,0,0,0|2,0,0]=4 9500 B10R0.7 CCNC(=O)CC(C)(C)CC 527a_100015525214_200000763500 [0,2,0,0,0,0|2,0,0]=4 9501 B10R0.7 CCNC(=O)CC(C)(O)CC 240690a_100015525214_200011219800 [0,2,0,0,0,0|2,0,0]=4 9502 B10R0.7 CCNC(=O)CC(C)(O)CC 527a_100015525214_200011219800 [0,2,0,0,0,0|2,0,0]=4 9503 B10R0.7 CCNC(=O)NC(C)(C)CC 2708a_100015525214_100000211385 [0,2,0,0,0,0|2,0,0]=4 9504 B10R0.7 CCNC(=O)NC(C)(C)CC 273464a_100000211385_100015525214 [0,2,0,0,0,0|2,0,0]=4 9505 B10R0.7 CCNC(=O)NC(C)(C)CC 273464a_100015525214_100000211385 [0,2,0,0,0,0|2,0,0]=4 9506 B10R0.7 CCNC(=O)NC(C)(C)CC 512a_100000211385_100015525214 [0,2,0,0,0,0|2,0,0]=4 9507 B10R0.7 CCNC(=O)NC(C)(C)CC 512a_100015525214_100000211385 [0,2,0,0,0,0|2,0,0]=4 9508 B10R0.26 CC(C)C(C)NC(=O)CCO 240690a_100000211541_100011216618 [0,2,0,0,0,0|2,0,0]=4 9509 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747444 [0,2,0,0,0,0|1,0,1]=4 9510 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000211992_100000753385 [0,2,0,0,0,0|1,0,1]=4 9511 B10R0.26 CCCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747444 [0,2,0,0,0,0|1,0,1]=4 9512 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [0,2,0,0,0,0|1,0,1]=4 9513 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [0,2,0,0,0,0|1,0,1]=4 9514 B10R0.26 CCCC(=O)CC(C)N(C)C 1458a_100011311895_100000210303 [0,2,0,0,0,0|2,0,0]=4 9515 B10R0.26 CCCC(=O)CN(C)C(C)C 1458a_100000743827_100000210303 [0,2,0,0,0,0|2,0,0]=4 9516 B10R0.26 CCCC(=O)CN(C)C(C)C 269982a_200000211004_100000747444 [0,2,0,0,0,0|2,0,0]=4 9517 B10R0.26 CCCC(=O)NC(C)C(=O)C 1458a_100000205598_200000210301 [0,2,0,0,0,0|1,0,1]=4 9518 B10R0.26 CCCC(=O)NC(C)C(=O)[13CH3] 1458a_100000205598_200025704644 [0,2,0,0,0,0|1,0,1]=4 9519 B10R0.26 CCCC(=O)NC(C)C(C)C 11a_100000211541_100000211992 [0,2,0,0,0,0|1,0,0]=3 9520 B10R0.26 CCCC(=O)NC(C)C(C)C 1626a_100000211541_100000211992 [0,2,0,0,0,0|1,0,0]=3 9521 B10R0.26 CCCC(=O)NC(C)C(C)C 240690a_100000211541_100000211992 [0,2,0,0,0,0|1,0,0]=3 9522 B10R0.26 CCCC(=O)NC(C)C(C)C 527a_100000211541_100000211992 [0,2,0,0,0,0|1,0,0]=3 9523 B10R0.26 CCCC(C)OC(C)C(C)C 7a_100000748068_100000766640 [0,2,0,0,0,0|1,0,1]=4 9524 B10R0.26 CCNC(=O)NC(C)C(C)C 2708a_100000211541_100015525214 [0,2,0,0,0,0|2,0,0]=4 9525 B10R0.26 CCNC(=O)NC(C)C(C)C 2708a_100015525214_100000211541 [0,2,0,0,0,0|2,0,0]=4 9526 B10R0.26 CCNC(=O)NC(C)C(C)C 273464a_100000211541_100015525214 [0,2,0,0,0,0|2,0,0]=4 9527 B10R0.26 CCNC(=O)NC(C)C(C)C 273464a_100015525214_100000211541 [0,2,0,0,0,0|2,0,0]=4 9528 B10R0.26 CCNC(=O)NC(C)C(C)C 512a_100000211541_100015525214 [0,2,0,0,0,0|2,0,0]=4 9529 B10R0.26 CCNC(=O)NC(C)C(C)C 512a_100015525214_100000211541 [0,2,0,0,0,0|2,0,0]=4 9530 B10R0.26 CCOC(=O)OC(C)N(C)C 269982a_100102631434_100000036008 [0,2,0,0,0,0|2,0,0]=4 9531 B10R0.26 COCC(=O)NC(C)C(C)C 11a_100000211541_100000210968 [0,2,0,0,0,0|2,0,0]=4 9532 B10R0.26 COCC(=O)NC(C)C(C)C 1626a_100000211541_100000210968 [0,2,0,0,0,0|2,0,0]=4 9533 B10R0.26 COCC(=O)NC(C)C(C)C 240690a_100000211541_100000210968 [0,2,0,0,0,0|2,0,0]=4 9534 B10R0.26 COCC(=O)NC(C)C(C)C 527a_100000211541_100000210968 [0,2,0,0,0,0|2,0,0]=4 9535 B10R0.26 CSCC(=O)NC(C)C(C)C 11a_100000211541_100000184570 [0,2,0,0,0,0|2,0,0]=4 9536 B10R0.26 CSCC(=O)NC(C)C(C)C 1626a_100000211541_100000184570 [0,2,0,0,0,0|2,0,0]=4 9537 B10R0.26 CSCC(=O)NC(C)C(C)C 240690a_100000211541_100000184570 [0,2,0,0,0,0|2,0,0]=4 9538 B10R0.26 CSCC(=O)NC(C)C(C)C 527a_100000211541_100000184570 [0,2,0,0,0,0|2,0,0]=4 9539 B10R0.29 C#CC(CCC)OC(C)CC 34a_200011217317_100011215416 [0,2,0,0,0,0|1,0,1]=4 9540 B10R0.29 C#CC(CCC)OC(C)CC 7a_200011217317_100000758301 [0,2,0,0,0,0|1,0,1]=4 9541 B10R0.29 C=CC(CCC)OC(C)CC 34a_100011216692_100011215416 [0,2,0,0,0,0|1,0,1]=4 9542 B10R0.29 C=CC(CCC)OC(C)CC 7a_100011216692_100000758301 [0,2,0,0,0,0|1,0,1]=4 9543 B10R0.29 CCCC(C#N)OC(C)CC 34a_100000686963_100011215416 [0,2,0,0,0,0|1,0,1]=4 9544 B10R0.29 CCCC(C#N)OC(C)CC 7a_100000686963_100000758301 [0,2,0,0,0,0|1,0,1]=4 9545 B10R0.29 CCCC(CC)OC(C)CC 34a_100000687864_100011215416 [0,2,0,0,0,0|1,0,1]=4 9546 B10R0.29 CCCC(CC)OC(C)CC 7a_100000210228_100011219200 [0,2,0,0,0,0|1,0,1]=4 9547 B10R0.29 CCCC(CC)OC(C)CC 7a_100000687864_100000758301 [0,2,0,0,0,0|1,0,1]=4 9548 B10R0.34 C#CC(CC)OC(C)CCC 34a_100000758843_100000766640 [0,2,0,0,0,0|1,0,1]=4 9549 B10R0.34 C#CC(CC)OC(C)CCC 7a_100000758843_100000766640 [0,2,0,0,0,0|1,0,1]=4 9550 B10R0.34 C=CC(CC)OC(C)CCC 34a_100000766422_100000766640 [0,2,0,0,0,0|1,0,1]=4 9551 B10R0.34 C=CC(CC)OC(C)CCC 7a_100000766422_100000766640 [0,2,0,0,0,0|1,0,1]=4 9552 B10R0.34 C=C[C@@H](CO)NC(=O)CCC 240690a_100016989147_100000211992 [0,2,0,0,0,0|2,0,0]=4 9553 B10R0.34 C=C[C@@H](CO)NC(=O)CCC 527a_100016989147_100000211992 [0,2,0,0,0,0|2,0,0]=4 9554 B10R0.34 CCC(CC)CC(=O)CCO 1458a_100011216618_100011215472 [0,2,0,0,0,0|2,0,0]=4 9555 B10R0.34 CCC(CC)CC(=O)COC 1458a_100000210968_100011215472 [0,2,0,0,0,0|2,0,0]=4 9556 B10R0.34 CCC(CC)CC(=O)CSC 1458a_100000184570_100011215472 [0,2,0,0,0,0|2,0,0]=4 9557 B10R0.34 CCC(CC)NC(=O)CCO 240690a_100000199018_100011216618 [0,2,0,0,0,0|2,0,0]=4 9558 B10R0.34 CCC(CC)NC(=O)COC 11a_100000199018_100000210968 [0,2,0,0,0,0|2,0,0]=4 9559 B10R0.34 CCC(CC)NC(=O)COC 1626a_100000199018_100000210968 [0,2,0,0,0,0|2,0,0]=4 9560 B10R0.34 CCC(CC)NC(=O)COC 240690a_100000199018_100000210968 [0,2,0,0,0,0|2,0,0]=4 9561 B10R0.34 CCC(CC)NC(=O)COC 527a_100000199018_100000210968 [0,2,0,0,0,0|2,0,0]=4 9562 B10R0.34 CCC(CC)NC(=O)CSC 11a_100000199018_100000184570 [0,2,0,0,0,0|2,0,0]=4 9563 B10R0.34 CCC(CC)NC(=O)CSC 1626a_100000199018_100000184570 [0,2,0,0,0,0|2,0,0]=4 9564 B10R0.34 CCC(CC)NC(=O)CSC 240690a_100000199018_100000184570 [0,2,0,0,0,0|2,0,0]=4 9565 B10R0.34 CCC(CC)NC(=O)CSC 527a_100000199018_100000184570 [0,2,0,0,0,0|2,0,0]=4 9566 B10R0.34 CCCC(=O)CC(CC)CC 1458a_100000211992_100011215472 [0,2,0,0,0,0|1,0,0]=3 9567 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000082724_100000210303 [0,2,0,0,0,0|2,0,0]=4 9568 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000211992_100000751394 [0,2,0,0,0,0|2,0,0]=4 9569 B10R0.34 CCCC(=O)CN(CC)CC 1458a_100000758533_100000210303 [0,2,0,0,0,0|2,0,0]=4 9570 B10R0.34 CCCC(=O)CN(CC)CC 2230a_100000724800_100000747444 [0,2,0,0,0,0|2,0,0]=4 9571 B10R0.34 CCCC(=O)CN(CC)CC 269956a_100000042499_100000747444 [0,2,0,0,0,0|2,0,0]=4 9572 B10R0.34 CCCC(=O)CN(CC)CC 269982a_100000724800_100000747444 [0,2,0,0,0,0|2,0,0]=4 9573 B10R0.34 CCCC(=O)NC(CC)CC 11a_100000199018_100000211992 [0,2,0,0,0,0|1,0,0]=3 9574 B10R0.34 CCCC(=O)NC(CC)CC 1626a_100000199018_100000211992 [0,2,0,0,0,0|1,0,0]=3 9575 B10R0.34 CCCC(=O)NC(CC)CC 240690a_100000199018_100000211992 [0,2,0,0,0,0|1,0,0]=3 9576 B10R0.34 CCCC(=O)NC(CC)CC 527a_100000199018_100000211992 [0,2,0,0,0,0|1,0,0]=3 9577 B10R0.34 CCCC(=O)NC(CO)CO 240690a_100000759517_100000211992 [0,2,0,0,0,0|2,0,0]=4 9578 B10R0.34 CCCC(=O)NC(CO)CO 527a_100000759517_100000211992 [0,2,0,0,0,0|2,0,0]=4 9579 B10R0.34 CCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000211992 [0,2,0,0,0,0|1,0,0]=3 9580 B10R0.34 CCCC(=O)N[C@@H](CC)CO 527a_100000709445_100000211992 [0,2,0,0,0,0|1,0,0]=3 9581 B10R0.34 CCCC(C)OC(CC)CC 7a_100000688536_100000766640 [0,2,0,0,0,0|1,0,1]=4 9582 B10R0.34 CCCC(C)OC(CC)CC 7a_100000764384_100000210505 [0,2,0,0,0,0|1,0,1]=4 9583 B10R0.34 CCNC(=O)NC(CC)CC 2708a_100000199018_100015525214 [0,2,0,0,0,0|2,0,0]=4 9584 B10R0.34 CCNC(=O)NC(CC)CC 2708a_100015525214_100000199018 [0,2,0,0,0,0|2,0,0]=4 9585 B10R0.34 CCNC(=O)NC(CC)CC 273464a_100000199018_100015525214 [0,2,0,0,0,0|2,0,0]=4 9586 B10R0.34 CCNC(=O)NC(CC)CC 273464a_100015525214_100000199018 [0,2,0,0,0,0|2,0,0]=4 9587 B10R0.34 CCNC(=O)NC(CC)CC 512a_100000199018_100015525214 [0,2,0,0,0,0|2,0,0]=4 9588 B10R0.34 CCNC(=O)NC(CC)CC 512a_100015525214_100000199018 [0,2,0,0,0,0|2,0,0]=4 9589 B10R0.34 CCNC(=O)N[C@@H](CC)CO 2708a_100015525214_100000709445 [0,2,0,0,0,0|2,0,0]=4 9590 B10R0.34 CCNC(=O)N[C@@H](CC)CO 273464a_100000709445_100015525214 [0,2,0,0,0,0|2,0,0]=4 9591 B10R0.34 CCNC(=O)N[C@@H](CC)CO 273464a_100015525214_100000709445 [0,2,0,0,0,0|2,0,0]=4 9592 B10R0.34 CCNC(=O)N[C@@H](CC)CO 512a_100000709445_100015525214 [0,2,0,0,0,0|2,0,0]=4 9593 B10R0.34 CCNC(=O)N[C@@H](CC)CO 512a_100015525214_100000709445 [0,2,0,0,0,0|2,0,0]=4 9594 B10R0.34 CC[C@@H](CO)NC(=O)CCO 240690a_100000709445_100011216618 [0,2,0,0,0,0|2,0,0]=4 9595 B10R0.34 CC[C@@H](CO)NC(=O)COC 240690a_100000709445_100000210968 [0,2,0,0,0,0|2,0,0]=4 9596 B10R0.34 CC[C@@H](CO)NC(=O)COC 527a_100000709445_100000210968 [0,2,0,0,0,0|2,0,0]=4 9597 B10R0.34 CC[C@@H](CO)NC(=O)CSC 240690a_100000709445_100000184570 [0,2,0,0,0,0|2,0,0]=4 9598 B10R0.34 CC[C@@H](CO)NC(=O)CSC 527a_100000709445_100000184570 [0,2,0,0,0,0|2,0,0]=4 9599 B10R0.148 CCCC(C)(C)OC(C)CC 7a_100000748436_100000758301 [0,2,0,0,0,0|1,0,1]=4 9600 B10R0.148 CCCS(=O)(=O)NC(C)CC 270084a_100000209981_100000211391 [0,2,0,0,0,0|2,0,0]=4 9601 B10R0.148 CCCS(=O)(=O)NC(C)CC 274078a_100000209981_100000211391 [0,2,0,0,0,0|2,0,0]=4 9602 B10R0.148 CCCS(=O)(=O)NC(C)CC 40a_100000209981_100000054278 [0,2,0,0,0,0|2,0,0]=4 9603 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100000211992_100011219200 [0,2,0,0,0,0|1,0,0]=3 9604 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100011416436_100000210303 [0,2,0,0,0,0|1,0,0]=3 9605 B10R0.33 CCCC(=O)C(CCC)OC 34a_200011216804_200000210301 [0,2,0,0,0,0|1,0,0]=3 9606 B10R0.33 CCCC(=O)C(CCC)OC 7a_200011216804_200000210301 [0,2,0,0,0,0|1,0,0]=3 9607 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 34a_200011216804_200025704644 [0,2,0,0,0,0|1,0,0]=3 9608 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 7a_200011216804_200025704644 [0,2,0,0,0,0|1,0,0]=3 9609 B10R0.33 CCCC(=O)N(CC)CCC 11a_100000226822_100000211992 [0,2,0,0,0,0|1,0,0]=3 9610 B10R0.33 CCCC(=O)N(CC)CCC 1626a_100000226822_100000211992 [0,2,0,0,0,0|1,0,0]=3 9611 B10R0.33 CCCC(=O)N(CC)CCC 240690a_100000226822_100000211992 [0,2,0,0,0,0|1,0,0]=3 9612 B10R0.33 CCCC(=O)N(CC)CCC 527a_100000226822_100000211992 [0,2,0,0,0,0|1,0,0]=3 9613 B10R0.33 CCCC(=O)N(CC)CCO 240690a_100000210973_100000211992 [0,2,0,0,0,0|2,0,0]=4 9614 B10R0.33 CCCC(=O)N(CC)CCO 527a_100000210973_100000211992 [0,2,0,0,0,0|2,0,0]=4 9615 B10R0.33 CCCC(CC)C(=O)CCF 1458a_100011416436_100011217306 [0,2,0,0,0,0|2,0,0]=4 9616 B10R0.33 CCCC(CC)C(=O)CCO 1458a_100011216618_100011219200 [0,2,0,0,0,0|2,0,0]=4 9617 B10R0.33 CCCC(CC)C(=O)CCO 1458a_100011416436_100000211926 [0,2,0,0,0,0|2,0,0]=4 9618 B10R0.33 CCCC(CC)C(=O)COC 1458a_100000210968_100011219200 [0,2,0,0,0,0|2,0,0]=4 9619 B10R0.33 CCCC(CC)C(=O)CSC 1458a_100000184570_100011219200 [0,2,0,0,0,0|2,0,0]=4 9620 B10R0.33 CCCC(CC)C(=O)NCC 11a_100015525214_100011416436 [0,2,0,0,0,0|2,0,0]=4 9621 B10R0.33 CCCC(CC)C(=O)NCC 240690a_100015525214_100011416436 [0,2,0,0,0,0|2,0,0]=4 9622 B10R0.33 CCCC(CC)C(=O)NCC 527a_100015525214_100011416436 [0,2,0,0,0,0|2,0,0]=4 9623 B10R0.33 CCCC(NC)C(=O)OCC 2230a_106832991635_100000695697 [0,2,0,0,0,0|2,0,0]=4 9624 B10R0.33 CCCC(NC)C(=O)OCC 34a_100102657272_100000695697 [0,2,0,0,0,0|2,0,0]=4 9625 B10R0.33 CCCC(NC)C(=O)OCC 7a_106832991635_100000695697 [0,2,0,0,0,0|2,0,0]=4 9626 B10R0.33 CCCC(OC)C(=O)OCC 34a_100138415774_100000695697 [0,2,0,0,0,0|2,0,0]=4 9627 B10R0.33 CCCC(OC)C(=O)OCC 34a_200011218214_200000210301 [0,2,0,0,0,0|2,0,0]=4 9628 B10R0.33 CCCC(OC)C(=O)OCC 7a_200011218214_200000210301 [0,2,0,0,0,0|2,0,0]=4 9629 B10R0.33 CCCC(O[13CH3])C(=O)OCC 34a_200011218214_200025704644 [0,2,0,0,0,0|2,0,0]=4 9630 B10R0.33 CCCC(O[13CH3])C(=O)OCC 7a_200011218214_200025704644 [0,2,0,0,0,0|2,0,0]=4 9631 B10R0.33 CCCC(SC)C(=O)OCC 62a_100000695697_200000210301 [0,2,0,0,0,0|2,0,0]=4 9632 B10R0.33 CCCC(SC)C(=O)OCC 62a_200000210301_100000695697 [0,2,0,0,0,0|2,0,0]=4 9633 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_100000695697_200025704644 [0,2,0,0,0,0|2,0,0]=4 9634 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_200025704644_100000695697 [0,2,0,0,0,0|2,0,0]=4 9635 B10R0.33 CCCN(CC)C(=O)CCO 240690a_100000226822_100011216618 [0,2,0,0,0,0|2,0,0]=4 9636 B10R0.33 CCCN(CC)C(=O)COC 11a_100000226822_100000210968 [0,2,0,0,0,0|2,0,0]=4 9637 B10R0.33 CCCN(CC)C(=O)COC 1626a_100000226822_100000210968 [0,2,0,0,0,0|2,0,0]=4 9638 B10R0.33 CCCN(CC)C(=O)COC 240690a_100000226822_100000210968 [0,2,0,0,0,0|2,0,0]=4 9639 B10R0.33 CCCN(CC)C(=O)COC 527a_100000226822_100000210968 [0,2,0,0,0,0|2,0,0]=4 9640 B10R0.33 CCCN(CC)C(=O)CSC 11a_100000226822_100000184570 [0,2,0,0,0,0|2,0,0]=4 9641 B10R0.33 CCCN(CC)C(=O)CSC 1626a_100000226822_100000184570 [0,2,0,0,0,0|2,0,0]=4 9642 B10R0.33 CCCN(CC)C(=O)CSC 240690a_100000226822_100000184570 [0,2,0,0,0,0|2,0,0]=4 9643 B10R0.33 CCCN(CC)C(=O)CSC 527a_100000226822_100000184570 [0,2,0,0,0,0|2,0,0]=4 9644 B10R0.33 CCCN(CC)C(=O)NCC 2708a_100015525214_100000226822 [0,2,0,0,0,0|2,0,0]=4 9645 B10R0.33 CCCN(CC)C(=O)NCC 273464a_100015525214_100000226822 [0,2,0,0,0,0|2,0,0]=4 9646 B10R0.129 CCCC(=O)C(C)(C)CCC 1458a_100011215034_100000210303 [0,2,0,0,0,0|1,0,0]=3 9647 B10R0.129 CCCC(=O)C(C)(C)OCC 1458a_100011458965_100000210303 [0,2,0,0,0,0|2,0,0]=4 9648 B10R0.129 CCCC(C)(C)C(=O)CCF 1458a_100011215034_100011217306 [0,2,0,0,0,0|2,0,0]=4 9649 B10R0.129 CCCC(C)(C)C(=O)CCO 1458a_100011215034_100000211926 [0,2,0,0,0,0|2,0,0]=4 9650 B10R0.129 CCCC(C)(C)C(=O)NCC 11a_100015525214_100011215034 [0,2,0,0,0,0|2,0,0]=4 9651 B10R0.129 CCCC(C)(C)C(=O)NCC 240690a_100015525214_100011215034 [0,2,0,0,0,0|2,0,0]=4 9652 B10R0.129 CCCC(C)(C)C(=O)NCC 527a_100015525214_100011215034 [0,2,0,0,0,0|2,0,0]=4 9653 B10R0.129 CCCN(C)S(=O)(=O)CCC 270084a_100000747261_100000211391 [0,2,0,0,0,0|2,0,0]=4 9654 B10R0.129 CCCN(C)S(=O)(=O)CCC 274078a_100000747261_100000211391 [0,2,0,0,0,0|2,0,0]=4 9655 B10R0.129 CCCN(C)S(=O)(=O)CCC 40a_100000747261_100000054278 [0,2,0,0,0,0|2,0,0]=4 9656 B10R0.27 C#CC(CCC)OCC(C)C 34a_200011217317_100000210624 [0,2,0,0,0,0|1,0,1]=4 9657 B10R0.27 C#CC(CCC)OCC(C)C 7a_200011217317_100000210760 [0,2,0,0,0,0|1,0,1]=4 9658 B10R0.27 C#CC(CCC)OCC(C)O 34a_200011217317_100011218427 [0,2,0,0,0,0|1,0,1]=4 9659 B10R0.27 C#CC(CCC)OCC(C)O 7a_200011217317_100011218427 [0,2,0,0,0,0|1,0,1]=4 9660 B10R0.27 C#CC(CCC)OC[C@@H](C)O 34a_200011217317_100009817552 [0,2,0,0,0,0|1,0,1]=4 9661 B10R0.27 C#CC(CCC)OC[C@@H](C)O 7a_200011217317_100009817552 [0,2,0,0,0,0|1,0,1]=4 9662 B10R0.27 C=CC(CCC)OCC(C)C 34a_100011216692_100000210624 [0,2,0,0,0,0|1,0,1]=4 9663 B10R0.27 C=CC(CCC)OCC(C)C 7a_100011216692_100000210760 [0,2,0,0,0,0|1,0,1]=4 9664 B10R0.27 C=CC(CCC)OCC(C)O 34a_100011216692_100011218427 [0,2,0,0,0,0|1,0,1]=4 9665 B10R0.27 C=CC(CCC)OCC(C)O 7a_100011216692_100011218427 [0,2,0,0,0,0|1,0,1]=4 9666 B10R0.27 C=CC(CCC)OC[C@@H](C)O 34a_100011216692_100009817552 [0,2,0,0,0,0|1,0,1]=4 9667 B10R0.27 C=CC(CCC)OC[C@@H](C)O 7a_100011216692_100009817552 [0,2,0,0,0,0|1,0,1]=4 9668 B10R0.27 CCCC(C#N)OCC(C)C 34a_100000686963_100000210624 [0,2,0,0,0,0|1,0,1]=4 9669 B10R0.27 CCCC(C#N)OCC(C)C 7a_100000686963_100000210760 [0,2,0,0,0,0|1,0,1]=4 9670 B10R0.27 CCCC(C#N)OCC(C)O 34a_100000686963_100011218427 [0,2,0,0,0,0|1,0,1]=4 9671 B10R0.27 CCCC(C#N)OCC(C)O 7a_100000686963_100011218427 [0,2,0,0,0,0|1,0,1]=4 9672 B10R0.27 CCCC(C#N)OC[C@@H](C)O 34a_100000686963_100009817552 [0,2,0,0,0,0|1,0,1]=4 9673 B10R0.27 CCCC(C#N)OC[C@@H](C)O 7a_100000686963_100009817552 [0,2,0,0,0,0|1,0,1]=4 9674 B10R0.27 CCCC(CC)OCC(C)C 34a_100000687864_100000210624 [0,2,0,0,0,0|1,0,1]=4 9675 B10R0.27 CCCC(CC)OCC(C)C 7a_100000687864_100000210760 [0,2,0,0,0,0|1,0,1]=4 9676 B10R0.27 CCCC(CC)OCC(C)O 34a_100000687864_100011218427 [0,2,0,0,0,0|1,0,1]=4 9677 B10R0.27 CCCC(CC)OCC(C)O 7a_100000687864_100011218427 [0,2,0,0,0,0|1,0,1]=4 9678 B10R0.27 CCCC(CC)OC[C@@H](C)O 34a_100000687864_100009817552 [0,2,0,0,0,0|1,0,1]=4 9679 B10R0.27 CCCC(CC)OC[C@@H](C)O 7a_100000687864_100009817552 [0,2,0,0,0,0|1,0,1]=4 9680 B10R0.88 CCCC(OCCF)C(=O)N 34a_100011626294_100011217306 [0,2,0,0,0,0|1,0,1]=4 9681 B10R0.88 CCCC(OCCF)C(=O)N 7a_100011626294_100011217306 [0,2,0,0,0,0|1,0,1]=4 9682 B10R0.88 CCCC(OCCO)C(=O)N 34a_100011626294_100000211926 [0,2,0,0,0,0|1,0,1]=4 9683 B10R0.88 CCCC(OCCO)C(=O)N 7a_100011626294_100000211926 [0,2,0,0,0,0|1,0,1]=4 9684 B10R0.88 CCCC(OCSC)C(=O)N 34a_100011626294_100011218213 [0,2,0,0,0,0|1,0,1]=4 9685 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [0,2,0,0,0,0|1,0,1]=4 9686 B10R0.88 CCCCN(CCC)C(=O)C 11a_200000207744_100015343762 [0,2,0,0,0,0|2,0,0]=4 9687 B10R0.88 CCCCN(CCC)C(=O)C 1626a_200000207744_100015343762 [0,2,0,0,0,0|2,0,0]=4 9688 B10R0.88 CCCCN(CCC)C(=O)C 240690a_200000207744_100015343762 [0,2,0,0,0,0|2,0,0]=4 9689 B10R0.88 CCCCN(CCC)C(=O)C 527a_200000207744_100103153847 [0,2,0,0,0,0|2,0,0]=4 9690 B10R0.88 CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210303 [0,2,0,0,0,0|1,0,1]=4 9691 B10R0.88 CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210303 [0,2,0,0,0,0|1,0,1]=4 9692 B10R0.88 CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210207 [0,2,0,0,0,0|1,0,1]=4 9693 B10R0.88 CCCOC(CCC)C(=O)N 34a_100011626294_100000210303 [0,2,0,0,0,0|0,0,1]=3 9694 B10R0.88 CCCOC(CCC)C(=O)N 7a_100011626294_100000210303 [0,2,0,0,0,0|0,0,1]=3 9695 B10R0.88 CCCOC(CCC)C(C)C 34a_200011215069_100000210303 [0,2,0,0,0,0|1,0,1]=4 9696 B10R0.88 CCCOC(CCC)C(C)C 7a_200011215069_100000210303 [0,2,0,0,0,0|1,0,1]=4 9697 B10R0.90 C/C=C/C(CCC)OCCC 34a_200016264281_100000210303 [0,2,0,0,0,0|1,0,1]=4 9698 B10R0.90 C/C=C/C(CCC)OCCC 7a_200016264281_100000210303 [0,2,0,0,0,0|1,0,1]=4 9699 B10R0.90 C=CCC(CCC)OCCC 34a_100011215139_100000210303 [0,2,0,0,0,0|1,0,1]=4 9700 B10R0.90 C=CCC(CCC)OCCC 7a_100011215139_100000210303 [0,2,0,0,0,0|1,0,1]=4 9701 B10R0.90 CCCCN(CC=O)CCC 2230a_200000207744_200015260668 [0,2,0,0,0,0|2,0,0]=4 9702 B10R0.90 CCCCN(CC=O)CCC 269982a_200000207744_200015260668 [0,2,0,0,0,0|2,0,0]=4 9703 B10R0.90 CCCOC(CCC)CCC 34a_100000210258_200011218217 [0,2,0,0,0,0|1,0,1]=4 9704 B10R0.90 CCCOC(CCC)CCC 34a_200011218534_100000210303 [0,2,0,0,0,0|1,0,1]=4 9705 B10R0.90 CCCOC(CCC)CCC 7a_200011218534_100000210303 [0,2,0,0,0,0|1,0,1]=4 9706 B10R0.123 CCCOC(C)(CC)CCC 7a_200011215934_100000210303 [0,2,0,0,0,0|1,0,1]=4 9707 B10R0.105 CCCC(C)(C)OCC(C)C 7a_100000748436_100000210760 [0,2,0,0,0,0|1,0,1]=4 9708 B10R0.105 CCCC(C)(C)OCC(C)O 7a_100000748436_100011218427 [0,2,0,0,0,0|1,0,1]=4 9709 B10R0.105 CCCC(C)(C)OC[C@@H](C)O 7a_100000748436_100009817552 [0,2,0,0,0,0|1,0,1]=4 9710 B10R0.105 CCCS(=O)(=O)NCC(C)C 270084a_100000210953_100000211391 [0,2,0,0,0,0|2,0,0]=4 9711 B10R0.105 CCCS(=O)(=O)NCC(C)C 274078a_100000210953_100000211391 [0,2,0,0,0,0|2,0,0]=4 9712 B10R0.105 CCCS(=O)(=O)NCC(C)C 40a_100000210953_100000054278 [0,2,0,0,0,0|2,0,0]=4 9713 B10R0.105 CCCS(=O)(=O)NCC(C)O 270084a_100000210904_100000211391 [0,2,0,0,0,0|2,0,0]=4 9714 B10R0.105 CCCS(=O)(=O)NCC(C)O 274078a_100000210904_100000211391 [0,2,0,0,0,0|2,0,0]=4 9715 B10R0.105 CCCS(=O)(=O)NCC(C)O 40a_100000210904_100000054278 [0,2,0,0,0,0|2,0,0]=4 9716 B10R0.109 CC(C)(C)CCC(=O)CCF 1458a_100000757465_100011217306 [0,2,0,0,0,0|2,0,0]=4 9717 B10R0.109 CC(C)(C)CCC(=O)CCO 1458a_100000757465_100000211926 [0,2,0,0,0,0|2,0,0]=4 9718 B10R0.109 CC(C)(C)CCC(=O)CCO 1458a_100011216618_100000755188 [0,2,0,0,0,0|2,0,0]=4 9719 B10R0.109 CC(C)(C)CNC(=O)CCO 240690a_100000743828_100011216618 [0,2,0,0,0,0|2,0,0]=4 9720 B10R0.109 CC(C)(C)COC(=O)CS[13CH3] 62a_200010402935_200025704644 [0,2,0,0,0,0|1,0,0]=3 9721 B10R0.109 CC(C)(C)COC(=O)CS[13CH3] 62a_200025704644_200010402935 [0,2,0,0,0,0|1,0,0]=3 9722 B10R0.109 CC(C)(F)CNC(=O)CCO 240690a_100020643315_100011216618 [0,2,0,0,0,0|2,0,0]=4 9723 B10R0.109 CC(C)(O)CNC(=O)CCO 240690a_100000751335_100011216618 [0,2,0,0,0,0|2,0,0]=4 9724 B10R0.109 CC(F)(F)CCC(=O)CCF 1458a_100000030992_100011217306 [0,2,0,0,0,0|2,0,0]=4 9725 B10R0.109 CC(F)(F)CCC(=O)CCO 1458a_100000030992_100000211926 [0,2,0,0,0,0|2,0,0]=4 9726 B10R0.109 CC(F)(F)CNC(=O)CCO 240690a_100000731000_100011216618 [0,2,0,0,0,0|2,0,0]=4 9727 B10R0.109 CCCC(=O)C#CC(C)(C)C 1458a_100011966651_100000210303 [0,2,0,0,0,0|1,0,1]=4 9728 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000211992_100000755188 [0,2,0,0,0,0|1,0,0]=3 9729 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210303 [0,2,0,0,0,0|1,0,0]=3 9730 B10R0.109 CCCC(=O)CCC(C)(F)F 1458a_100000030992_100000210303 [0,2,0,0,0,0|1,0,0]=3 9731 B10R0.109 CCCC(=O)CCC(F)(F)F 1458a_100000211992_100011219754 [0,2,0,0,0,0|2,0,0]=4 9732 B10R0.109 CCCC(=O)CCC(F)(F)F 1458a_100000755318_100000210303 [0,2,0,0,0,0|2,0,0]=4 9733 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000211992_100000731031 [0,2,0,0,0,0|2,0,0]=4 9734 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210303 [0,2,0,0,0,0|2,0,0]=4 9735 B10R0.109 CCCC(=O)CC[N+](C)(C)C 1458a_100000211992_100000085578 [0,2,0,0,0,0|2,0,0]=4 9736 B10R0.109 CCCC(=O)CC[Si](C)(C)C 1458a_100000211992_200000733723 [0,2,0,0,0,0|1,1,0]=4 9737 B10R0.109 CCCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210303 [0,2,0,0,0,0|1,1,0]=4 9738 B10R0.109 CCCC(=O)CNC(C)(C)C 2230a_100000715429_100000747444 [0,2,0,0,0,0|2,0,0]=4 9739 B10R0.109 CCCC(=O)COC(C)(C)C 1458a_100000686494_100000210303 [0,2,0,0,0,0|2,0,0]=4 9740 B10R0.109 CCCC(=O)COC(C)(C)C 7a_100015890283_100000747444 [0,2,0,0,0,0|2,0,0]=4 9741 B10R0.109 CCCC(=O)CSC(C)(C)C 62a_100000211941_100000747444 [0,2,0,0,0,0|2,0,0]=4 9742 B10R0.109 CCCC(=O)CSC(C)(C)C 62a_100000747444_100000211941 [0,2,0,0,0,0|2,0,0]=4 9743 B10R0.109 CCCC(=O)NCC(C)(C)C 11a_100000743828_100000211992 [0,2,0,0,0,0|1,0,0]=3 9744 B10R0.109 CCCC(=O)NCC(C)(C)C 1626a_100000743828_100000211992 [0,2,0,0,0,0|1,0,0]=3 9745 B10R0.109 CCCC(=O)NCC(C)(C)C 240690a_100000743828_100000211992 [0,2,0,0,0,0|1,0,0]=3 9746 B10R0.109 CCCC(=O)NCC(C)(C)C 527a_100000743828_100000211992 [0,2,0,0,0,0|1,0,0]=3 9747 B10R0.109 CCCC(=O)NCC(C)(C)F 11a_100020643315_100000211992 [0,2,0,0,0,0|1,0,0]=3 9748 B10R0.109 CCCC(=O)NCC(C)(C)F 1626a_100020643315_100000211992 [0,2,0,0,0,0|1,0,0]=3 9749 B10R0.109 CCCC(=O)NCC(C)(C)F 240690a_100020643315_100000211992 [0,2,0,0,0,0|1,0,0]=3 9750 B10R0.109 CCCC(=O)NCC(C)(C)F 527a_100020643315_100000211992 [0,2,0,0,0,0|1,0,0]=3 9751 B10R0.109 CCCC(=O)NCC(C)(C)O 1626a_100000751335_100000211992 [0,2,0,0,0,0|1,0,0]=3 9752 B10R0.109 CCCC(=O)NCC(C)(C)O 240690a_100000751335_100000211992 [0,2,0,0,0,0|1,0,0]=3 9753 B10R0.109 CCCC(=O)NCC(C)(C)O 527a_100000751335_100000211992 [0,2,0,0,0,0|1,0,0]=3 9754 B10R0.109 CCCC(=O)NCC(C)(F)F 11a_100000731000_100000211992 [0,2,0,0,0,0|1,0,0]=3 9755 B10R0.109 CCCC(=O)NCC(C)(F)F 1626a_100000731000_100000211992 [0,2,0,0,0,0|1,0,0]=3 9756 B10R0.109 CCCC(=O)NCC(C)(F)F 240690a_100000731000_100000211992 [0,2,0,0,0,0|1,0,0]=3 9757 B10R0.109 CCCC(=O)NCC(C)(F)F 527a_100000731000_100000211992 [0,2,0,0,0,0|1,0,0]=3 9758 B10R0.109 CCCC(=O)NCC(F)(F)F 11a_100000717047_100000211992 [0,2,0,0,0,0|2,0,0]=4 9759 B10R0.109 CCCC(=O)NCC(F)(F)F 1626a_100000717047_100000211992 [0,2,0,0,0,0|2,0,0]=4 9760 B10R0.109 CCCC(=O)NCC(F)(F)F 240690a_100000717047_100000211992 [0,2,0,0,0,0|2,0,0]=4 9761 B10R0.109 CCCC(=O)NCC(F)(F)F 527a_100000717047_100000211992 [0,2,0,0,0,0|2,0,0]=4 9762 B10R0.109 CCCC(=O)NC[Si](C)(C)C 11a_102516607284_100000211992 [0,2,0,0,0,0|1,1,0]=4 9763 B10R0.109 CCCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000211992 [0,2,0,0,0,0|1,1,0]=4 9764 B10R0.109 CCCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000211992 [0,2,0,0,0,0|1,1,0]=4 9765 B10R0.109 CCCC(=O)NC[Si](C)(C)C 527a_102516607284_100000211992 [0,2,0,0,0,0|1,1,0]=4 9766 B10R0.109 CCCC(=O)NNC(C)(C)C 22a_100000725372_100000211992 [0,2,0,0,0,0|2,0,0]=4 9767 B10R0.109 CCCC(C)OCC(C)(C)C 34a_100000764384_100011219605 [0,2,0,0,0,0|1,0,1]=4 9768 B10R0.109 CCCC(C)OCC(C)(C)F 34a_100000716592_100000766640 [0,2,0,0,0,0|1,0,1]=4 9769 B10R0.109 CCCC(C)OCC(C)(C)F 34a_100000764384_100011997219 [0,2,0,0,0,0|1,0,1]=4 9770 B10R0.109 CCCC(C)OCC(C)(C)O 34a_100000764384_100000764493 [0,2,0,0,0,0|1,0,1]=4 9771 B10R0.109 CCCC(C)OCC(C)(C)O 7a_100000764384_100000764493 [0,2,0,0,0,0|1,0,1]=4 9772 B10R0.109 CCCC(C)OCC(C)(F)F 34a_100000068830_100000766640 [0,2,0,0,0,0|1,0,1]=4 9773 B10R0.109 CCNC(=O)CCC(C)(C)C 11a_100015525214_100000757465 [0,2,0,0,0,0|2,0,0]=4 9774 B10R0.109 CCNC(=O)CCC(C)(C)C 240690a_100015525214_100000757465 [0,2,0,0,0,0|2,0,0]=4 9775 B10R0.109 CCNC(=O)CCC(C)(C)C 527a_100015525214_100000757465 [0,2,0,0,0,0|2,0,0]=4 9776 B10R0.109 CCNC(=O)CCC(C)(F)F 11a_100015525214_100000030992 [0,2,0,0,0,0|2,0,0]=4 9777 B10R0.109 CCNC(=O)CCC(C)(F)F 240690a_100015525214_100000030992 [0,2,0,0,0,0|2,0,0]=4 9778 B10R0.109 CCNC(=O)CCC(C)(F)F 527a_100015525214_100000030992 [0,2,0,0,0,0|2,0,0]=4 9779 B10R0.109 CCNC(=O)NCC(C)(C)C 2708a_100000743828_100015525214 [0,2,0,0,0,0|2,0,0]=4 9780 B10R0.109 CCNC(=O)NCC(C)(C)C 2708a_100015525214_100000743828 [0,2,0,0,0,0|2,0,0]=4 9781 B10R0.109 CCNC(=O)NCC(C)(C)C 273464a_100000743828_100015525214 [0,2,0,0,0,0|2,0,0]=4 9782 B10R0.109 CCNC(=O)NCC(C)(C)C 273464a_100015525214_100000743828 [0,2,0,0,0,0|2,0,0]=4 9783 B10R0.109 CCNC(=O)NCC(C)(C)C 512a_100000743828_100015525214 [0,2,0,0,0,0|2,0,0]=4 9784 B10R0.109 CCNC(=O)NCC(C)(C)C 512a_100015525214_100000743828 [0,2,0,0,0,0|2,0,0]=4 9785 B10R0.109 CCNC(=O)NCC(C)(C)F 2708a_100015525214_100020643315 [0,2,0,0,0,0|2,0,0]=4 9786 B10R0.109 CCNC(=O)NCC(C)(C)F 2708a_100020643315_100015525214 [0,2,0,0,0,0|2,0,0]=4 9787 B10R0.109 CCNC(=O)NCC(C)(C)F 273464a_100015525214_100020643315 [0,2,0,0,0,0|2,0,0]=4 9788 B10R0.109 CCNC(=O)NCC(C)(C)F 273464a_100020643315_100015525214 [0,2,0,0,0,0|2,0,0]=4 9789 B10R0.109 CCNC(=O)NCC(C)(C)F 512a_100015525214_100020643315 [0,2,0,0,0,0|2,0,0]=4 9790 B10R0.109 CCNC(=O)NCC(C)(C)F 512a_100020643315_100015525214 [0,2,0,0,0,0|2,0,0]=4 9791 B10R0.109 CCNC(=O)NCC(C)(C)O 2708a_100015525214_100000751335 [0,2,0,0,0,0|2,0,0]=4 9792 B10R0.109 CCNC(=O)NCC(C)(C)O 273464a_100015525214_100000751335 [0,2,0,0,0,0|2,0,0]=4 9793 B10R0.109 CCNC(=O)NCC(C)(C)O 512a_100000751335_100015525214 [0,2,0,0,0,0|2,0,0]=4 9794 B10R0.109 CCNC(=O)NCC(C)(C)O 512a_100015525214_100000751335 [0,2,0,0,0,0|2,0,0]=4 9795 B10R0.109 CCNC(=O)NCC(C)(F)F 2708a_100015525214_100000731000 [0,2,0,0,0,0|2,0,0]=4 9796 B10R0.109 CCNC(=O)NCC(C)(F)F 273464a_100000731000_100015525214 [0,2,0,0,0,0|2,0,0]=4 9797 B10R0.109 CCNC(=O)NCC(C)(F)F 273464a_100015525214_100000731000 [0,2,0,0,0,0|2,0,0]=4 9798 B10R0.109 CCNC(=O)NCC(C)(F)F 512a_100000731000_100015525214 [0,2,0,0,0,0|2,0,0]=4 9799 B10R0.109 CCNC(=O)NCC(C)(F)F 512a_100015525214_100000731000 [0,2,0,0,0,0|2,0,0]=4 9800 B10R0.109 CNCC(=O)OCC(C)(C)C 2230a_106832991635_200010402935 [0,2,0,0,0,0|1,0,0]=3 9801 B10R0.109 CNCC(=O)OCC(C)(C)C 34a_100102657272_200010402935 [0,2,0,0,0,0|1,0,0]=3 9802 B10R0.109 CNCC(=O)OCC(C)(C)C 7a_106832991635_200010402935 [0,2,0,0,0,0|1,0,0]=3 9803 B10R0.109 COCC(=O)CCC(C)(C)C 1458a_100000210968_100000755188 [0,2,0,0,0,0|2,0,0]=4 9804 B10R0.109 COCC(=O)NCC(C)(C)C 11a_100000743828_100000210968 [0,2,0,0,0,0|2,0,0]=4 9805 B10R0.109 COCC(=O)NCC(C)(C)C 1626a_100000743828_100000210968 [0,2,0,0,0,0|2,0,0]=4 9806 B10R0.109 COCC(=O)NCC(C)(C)C 240690a_100000743828_100000210968 [0,2,0,0,0,0|2,0,0]=4 9807 B10R0.109 COCC(=O)NCC(C)(C)C 527a_100000743828_100000210968 [0,2,0,0,0,0|2,0,0]=4 9808 B10R0.109 COCC(=O)NCC(C)(C)F 11a_100020643315_100000210968 [0,2,0,0,0,0|2,0,0]=4 9809 B10R0.109 COCC(=O)NCC(C)(C)F 1626a_100020643315_100000210968 [0,2,0,0,0,0|2,0,0]=4 9810 B10R0.109 COCC(=O)NCC(C)(C)F 240690a_100020643315_100000210968 [0,2,0,0,0,0|2,0,0]=4 9811 B10R0.109 COCC(=O)NCC(C)(C)F 527a_100020643315_100000210968 [0,2,0,0,0,0|2,0,0]=4 9812 B10R0.109 COCC(=O)NCC(C)(C)O 1626a_100000751335_100000210968 [0,2,0,0,0,0|2,0,0]=4 9813 B10R0.109 COCC(=O)NCC(C)(C)O 240690a_100000751335_100000210968 [0,2,0,0,0,0|2,0,0]=4 9814 B10R0.109 COCC(=O)NCC(C)(C)O 527a_100000751335_100000210968 [0,2,0,0,0,0|2,0,0]=4 9815 B10R0.109 COCC(=O)NCC(C)(F)F 11a_100000731000_100000210968 [0,2,0,0,0,0|2,0,0]=4 9816 B10R0.109 COCC(=O)NCC(C)(F)F 1626a_100000731000_100000210968 [0,2,0,0,0,0|2,0,0]=4 9817 B10R0.109 COCC(=O)NCC(C)(F)F 240690a_100000731000_100000210968 [0,2,0,0,0,0|2,0,0]=4 9818 B10R0.109 COCC(=O)NCC(C)(F)F 527a_100000731000_100000210968 [0,2,0,0,0,0|2,0,0]=4 9819 B10R0.109 COCC(=O)OCC(C)(C)C 34a_100138415774_200010402935 [0,2,0,0,0,0|1,0,0]=3 9820 B10R0.109 CSCC(=O)CCC(C)(C)C 1458a_100000184570_100000755188 [0,2,0,0,0,0|2,0,0]=4 9821 B10R0.109 CSCC(=O)NCC(C)(C)C 11a_100000743828_100000184570 [0,2,0,0,0,0|2,0,0]=4 9822 B10R0.109 CSCC(=O)NCC(C)(C)C 1626a_100000743828_100000184570 [0,2,0,0,0,0|2,0,0]=4 9823 B10R0.109 CSCC(=O)NCC(C)(C)C 240690a_100000743828_100000184570 [0,2,0,0,0,0|2,0,0]=4 9824 B10R0.109 CSCC(=O)NCC(C)(C)C 527a_100000743828_100000184570 [0,2,0,0,0,0|2,0,0]=4 9825 B10R0.109 CSCC(=O)NCC(C)(C)F 11a_100020643315_100000184570 [0,2,0,0,0,0|2,0,0]=4 9826 B10R0.109 CSCC(=O)NCC(C)(C)F 1626a_100020643315_100000184570 [0,2,0,0,0,0|2,0,0]=4 9827 B10R0.109 CSCC(=O)NCC(C)(C)F 240690a_100020643315_100000184570 [0,2,0,0,0,0|2,0,0]=4 9828 B10R0.109 CSCC(=O)NCC(C)(C)F 527a_100020643315_100000184570 [0,2,0,0,0,0|2,0,0]=4 9829 B10R0.109 CSCC(=O)NCC(C)(C)O 1626a_100000751335_100000184570 [0,2,0,0,0,0|2,0,0]=4 9830 B10R0.109 CSCC(=O)NCC(C)(C)O 240690a_100000751335_100000184570 [0,2,0,0,0,0|2,0,0]=4 9831 B10R0.109 CSCC(=O)NCC(C)(C)O 527a_100000751335_100000184570 [0,2,0,0,0,0|2,0,0]=4 9832 B10R0.109 CSCC(=O)NCC(C)(F)F 11a_100000731000_100000184570 [0,2,0,0,0,0|2,0,0]=4 9833 B10R0.109 CSCC(=O)NCC(C)(F)F 1626a_100000731000_100000184570 [0,2,0,0,0,0|2,0,0]=4 9834 B10R0.109 CSCC(=O)NCC(C)(F)F 240690a_100000731000_100000184570 [0,2,0,0,0,0|2,0,0]=4 9835 B10R0.109 CSCC(=O)NCC(C)(F)F 527a_100000731000_100000184570 [0,2,0,0,0,0|2,0,0]=4 9836 B10R0.109 CSCC(=O)OCC(C)(C)C 62a_200000210301_200010402935 [0,2,0,0,0,0|1,0,0]=3 9837 B10R0.109 CSCC(=O)OCC(C)(C)C 62a_200010402935_200000210301 [0,2,0,0,0,0|1,0,0]=3 9838 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [1,0,0,1,0,0|1,0,1]=4 9839 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [1,0,0,1,0,0|1,0,1]=4 9840 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [1,0,0,1,0,0|1,0,1]=4 9841 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [1,0,0,1,0,0|2,0,0]=4 9842 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [1,0,0,1,0,0|2,0,0]=4 9843 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,0,0,1,0,0|1,0,1]=4 9844 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,0,0,1,0,0|1,0,1]=4 9845 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,0,0,1,0,0|1,0,1]=4 9846 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,0,0,1,0,0|1,0,1]=4 9847 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,0,0,1,0,0|1,0,1]=4 9848 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [1,0,0,1,0,0|2,0,0]=4 9849 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,0,0,1,0,0|1,0,1]=4 9850 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,0,0,1,0,0|1,0,1]=4 9851 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,0,0,1,0,0|1,0,1]=4 9852 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [1,0,0,1,0,0|2,0,0]=4 9853 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [1,0,0,1,0,0|2,0,0]=4 9854 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,1,0,0|1,0,1]=4 9855 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,0,0,1,0,0|1,0,1]=4 9856 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,0,0,1,0,0|1,0,1]=4 9857 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [1,0,0,1,0,0|2,0,0]=4 9858 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,0,0,1,0,0|1,0,1]=4 9859 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,0,0,1,0,0|1,0,1]=4 9860 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [1,0,0,1,0,0|2,0,0]=4 9861 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [1,0,0,1,0,0|2,0,0]=4 9862 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,1,0,0|1,0,1]=4 9863 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [1,0,0,1,0,0|1,0,1]=4 9864 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [1,0,0,1,0,0|1,0,1]=4 9865 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [1,0,0,1,0,0|1,0,1]=4 9866 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [1,0,0,1,0,0|1,0,1]=4 9867 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [1,0,0,1,0,0|1,0,1]=4 9868 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [1,0,0,1,0,0|1,0,1]=4 9869 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [1,0,0,1,0,0|1,0,1]=4 9870 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [1,0,0,1,0,0|1,0,1]=4 9871 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,0,0,1,0,0|1,0,1]=4 9872 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [1,0,0,1,0,0|1,0,1]=4 9873 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [1,0,0,1,0,0|1,0,1]=4 9874 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [1,0,0,1,0,0|1,0,1]=4 9875 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [1,0,0,1,0,0|1,0,1]=4 9876 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,0,0,1,0,0|1,0,1]=4 9877 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,0,0,1,0,0|1,0,1]=4 9878 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [1,0,0,1,0,0|1,0,1]=4 9879 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [1,0,0,1,0,0|1,0,1]=4 9880 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [1,0,0,1,0,0|1,0,1]=4 9881 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [1,0,0,1,0,0|1,0,1]=4 9882 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,0,0,1,0,0|1,0,1]=4 9883 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,0,0,1,0,0|1,0,1]=4 9884 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [1,0,0,1,0,0|1,0,1]=4 9885 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [1,0,0,1,0,0|1,0,1]=4 9886 B8R1.10 BrCCOC1CCC1 34a_100000211926_100000749161 [1,0,0,1,0,0|1,0,1]=4 9887 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [1,0,0,1,0,0|1,0,1]=4 9888 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [1,0,0,1,0,0|1,0,1]=4 9889 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [1,0,0,1,0,0|1,0,1]=4 9890 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [1,0,0,1,0,0|1,0,1]=4 9891 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [1,0,0,1,0,0|0,0,1]=3 9892 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [1,0,0,1,0,0|0,0,1]=3 9893 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [1,0,0,1,0,0|1,0,1]=4 9894 B8R1.10 CCCOC1CSC1 7a_100000072292_100000210303 [1,0,0,1,0,0|1,0,1]=4 9895 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [1,0,0,1,0,0|0,1,1]=4 9896 B8R1.10 CCNN=C1CCC1 4a_100000756455_100000241760 [1,0,0,1,0,0|2,0,0]=4 9897 B8R1.10 CSCOC1CCC1 34a_100000748187_100011218213 [1,0,0,1,0,0|1,0,1]=4 9898 B8R1.10 FCCOC1CCC1 34a_100000748187_100011217306 [1,0,0,1,0,0|1,0,1]=4 9899 B8R1.10 NCCOC1CCC1 34a_100000210304_100000749161 [1,0,0,1,0,0|1,0,1]=4 9900 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [1,0,0,1,0,0|1,0,1]=4 9901 B8R1.11 CCC1C=CCN1C 2230a_100000730860_200000210301 [1,0,0,1,0,0|2,0,0]=4 9902 B8R1.11 CCC1C=CCN1C 269982a_100000730860_200000210301 [1,0,0,1,0,0|2,0,0]=4 9903 B8R1.11 CCC1C=CCN1C 34a_100000730860_200000210301 [1,0,0,1,0,0|2,0,0]=4 9904 B8R1.11 CCC1C=CCN1[13CH3] 2230a_100000730860_200025704644 [1,0,0,1,0,0|2,0,0]=4 9905 B8R1.11 CCC1C=CCN1[13CH3] 269982a_100000730860_200025704644 [1,0,0,1,0,0|2,0,0]=4 9906 B8R1.11 CCC1C=CCN1[13CH3] 34a_100000730860_200025704644 [1,0,0,1,0,0|2,0,0]=4 9907 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [1,0,0,1,0,0|1,0,1]=4 9908 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [1,0,0,1,0,0|1,0,1]=4 9909 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [1,0,0,1,0,0|1,0,1]=4 9910 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [1,0,0,1,0,0|1,0,1]=4 9911 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [1,0,0,1,0,0|1,0,1]=4 9912 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [1,0,0,1,0,0|1,0,1]=4 9913 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [1,0,0,1,0,0|1,0,1]=4 9914 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [1,0,0,1,0,0|1,0,1]=4 9915 B8R1.36 BrCCCOC1CC1 34a_100011217188_100000211595 [1,0,0,1,0,0|1,0,1]=4 9916 B8R1.36 BrCCOCC1CC1 34a_100000211926_100000742324 [1,0,0,1,0,0|1,0,1]=4 9917 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [1,0,0,1,0,0|1,0,1]=4 9918 B8R1.36 CCCCOC1CC1 34a_100000210227_100000211595 [1,0,0,1,0,0|0,0,1]=3 9919 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [1,0,0,1,0,0|0,1,1]=4 9920 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [1,0,0,1,0,0|1,0,1]=4 9921 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [1,0,0,1,0,0|1,0,1]=4 9922 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [1,0,0,1,0,0|1,0,1]=4 9923 B8R1.36 CCCOCC1CC1 34a_100000210258_100000742324 [1,0,0,1,0,0|0,0,1]=3 9924 B8R1.36 CCCOCC1CC1 34a_100000211283_100000210303 [1,0,0,1,0,0|0,0,1]=3 9925 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [1,0,0,1,0,0|1,0,1]=4 9926 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [1,0,0,1,0,0|1,0,1]=4 9927 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [1,0,0,1,0,0|0,1,1]=4 9928 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [1,0,0,1,0,0|0,1,1]=4 9929 B8R1.36 CCNN=CC1CC1 4a_100000756455_100000741477 [1,0,0,1,0,0|2,0,0]=4 9930 B8R1.36 COCCOC1CC1 34a_100000210237_100000211595 [1,0,0,1,0,0|1,0,1]=4 9931 B8R1.36 CSCCOC1CC1 34a_100000230434_100000211595 [1,0,0,1,0,0|1,0,1]=4 9932 B8R1.36 CSCOCC1CC1 34a_100000211283_100011218213 [1,0,0,1,0,0|1,0,1]=4 9933 B8R1.36 ClCCCOC1CC1 34a_100000230001_100000211595 [1,0,0,1,0,0|1,0,1]=4 9934 B8R1.36 FCCCOC1CC1 34a_100000759539_100000211595 [1,0,0,1,0,0|1,0,1]=4 9935 B8R1.36 FCCOCC1CC1 34a_100000211283_100011217306 [1,0,0,1,0,0|1,0,1]=4 9936 B8R1.36 NCCCOC1CC1 34a_100000182051_100000211595 [1,0,0,1,0,0|1,0,1]=4 9937 B8R1.36 NCCOCC1CC1 34a_100000210304_100000742324 [1,0,0,1,0,0|1,0,1]=4 9938 B8R1.36 OCCOCC1CC1 34a_100000211283_100000211926 [1,0,0,1,0,0|1,0,1]=4 9939 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,0,0,1,0,0|2,0,0]=4 9940 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|2,0,0]=4 9941 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,1,0,0|2,0,0]=4 9942 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,0,0,1,0,0|2,0,0]=4 9943 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|2,0,0]=4 9944 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,0,0,1,0,0|2,0,0]=4 9945 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|1,0,0]=3 9946 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|1,0,0]=3 9947 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [1,0,0,1,0,0|2,0,0]=4 9948 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [1,0,0,1,0,0|2,0,0]=4 9949 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [1,0,0,1,0,0|2,0,0]=4 9950 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [1,0,0,1,0,0|1,0,0]=3 9951 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [1,0,0,1,0,0|1,0,0]=3 9952 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [1,0,0,1,0,0|1,0,0]=3 9953 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [1,0,0,1,0,0|2,0,0]=4 9954 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [1,0,0,1,0,0|2,0,0]=4 9955 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [1,0,0,1,0,0|2,0,0]=4 9956 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [1,0,0,1,0,0|2,0,0]=4 9957 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 9958 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 9959 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [1,0,0,1,0,0|2,0,0]=4 9960 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [1,0,0,1,0,0|2,0,0]=4 9961 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [1,0,0,1,0,0|2,0,0]=4 9962 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [1,0,0,1,0,0|2,0,0]=4 9963 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|1,0,0]=3 9964 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|1,0,0]=3 9965 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|2,0,0]=4 9966 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|2,0,0]=4 9967 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|2,0,0]=4 9968 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 9969 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 9970 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 9971 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [1,0,0,1,0,0|2,0,0]=4 9972 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [1,0,0,1,0,0|2,0,0]=4 9973 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [1,0,0,1,0,0|2,0,0]=4 9974 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [1,0,0,1,0,0|2,0,0]=4 9975 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [1,0,0,1,0,0|2,0,0]=4 9976 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 9977 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 9978 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 9979 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 9980 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [1,0,0,1,0,0|2,0,0]=4 9981 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [1,0,0,1,0,0|2,0,0]=4 9982 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [1,0,0,1,0,0|2,0,0]=4 9983 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [1,0,0,1,0,0|2,0,0]=4 9984 B8R1.41 CCCOC1(CC1)C 7a_100011725673_100000210303 [1,0,0,1,0,0|1,0,1]=4 9985 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [1,0,0,1,0,0|2,0,0]=4 9986 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|1,0,0]=3 9987 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [1,0,0,1,0,0|2,0,0]=4 9988 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [1,0,0,1,0,0|2,0,0]=4 9989 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [1,0,0,1,0,0|2,0,0]=4 9990 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [1,0,0,1,0,0|2,0,0]=4 9991 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [1,0,0,1,0,0|2,0,0]=4 9992 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|1,0,0]=3 9993 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 9994 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 9995 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 9996 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 9997 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 9998 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 9999 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [1,0,0,1,0,0|2,0,0]=4 10000 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|1,0,0]=3 10001 B8R1.6 CCCN1CC(C1)C 2230a_100000702820_100000210303 [1,0,0,1,0,0|2,0,0]=4 10002 B8R1.6 CCCN1CC(C1)C 269982a_100000702820_100000210303 [1,0,0,1,0,0|2,0,0]=4 10003 B8R1.6 CCCN1CC(C1)C 34a_100000702820_100000210303 [1,0,0,1,0,0|2,0,0]=4 10004 B8R1.37 C#CCC(=O)C1CC1 1458a_100000210395_100000184674 [1,0,0,1,0,0|0,0,2]=4 10005 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [1,0,0,1,0,0|0,0,2]=4 10006 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [1,0,0,1,0,0|0,0,0]=2 10007 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [1,0,0,1,0,0|1,0,0]=3 10008 B8R1.37 CCCN(C)C1CC1 2230a_100000226674_100000210303 [1,0,0,1,0,0|2,0,0]=4 10009 B8R1.37 CCCN(C)C1CC1 2230a_100000765834_200000210301 [1,0,0,1,0,0|2,0,0]=4 10010 B8R1.37 CCCN(C)C1CC1 269982a_100000226674_100000210303 [1,0,0,1,0,0|2,0,0]=4 10011 B8R1.37 CCCN(C)C1CC1 269982a_100000747261_100000211595 [1,0,0,1,0,0|2,0,0]=4 10012 B8R1.37 CCCN(C)C1CC1 269982a_100000765834_200000210301 [1,0,0,1,0,0|2,0,0]=4 10013 B8R1.37 CCCN([13CH3])C1CC1 2230a_100000765834_200025704644 [1,0,0,1,0,0|2,0,0]=4 10014 B8R1.37 CCCN([13CH3])C1CC1 269982a_100000765834_200025704644 [1,0,0,1,0,0|2,0,0]=4 10015 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 10016 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 10017 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 10018 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 10019 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 10020 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 10021 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [1,0,0,1,0,0|1,0,1]=4 10022 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [1,0,0,1,0,0|1,0,1]=4 10023 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [1,0,0,1,0,0|1,0,0]=3 10024 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [1,0,0,1,0,0|1,0,0]=3 10025 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [1,0,0,1,0,0|1,0,0]=3 10026 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [1,0,0,1,0,0|2,0,0]=4 10027 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [1,0,0,1,0,0|1,0,0]=3 10028 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [1,0,0,1,0,0|1,0,0]=3 10029 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [1,0,0,1,0,0|1,0,0]=3 10030 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [1,0,0,1,0,0|1,0,0]=3 10031 B8R1.37 N#CCC(=O)C1CC1 1458a_100000210395_100011214920 [1,0,0,1,0,0|1,0,1]=4 10032 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [1,0,0,1,0,0|1,0,0]=3 10033 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [1,0,0,1,0,0|2,0,0]=4 10034 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [1,0,0,1,0,0|1,0,0]=3 10035 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [1,0,0,1,0,0|2,0,0]=4 10036 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [1,0,0,1,0,0|1,0,0]=3 10037 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [1,0,0,1,0,0|1,0,0]=3 10038 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [1,0,0,1,0,0|1,0,0]=3 10039 B8R1.66 CCOC1(CCC1)C 34a_100000759064_100000210202 [1,0,0,1,0,0|1,0,1]=4 10040 B8R1.66 CCOC1(CCC1)C 7a_100000759064_100000210202 [1,0,0,1,0,0|1,0,1]=4 10041 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [0,1,0,1,0,0|1,0,1]=4 10042 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,1,0,0|1,0,1]=4 10043 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,1,0,1,0,0|1,0,1]=4 10044 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,1,0,1,0,0|1,0,1]=4 10045 B10R1.61 CN(C)C1CCCCC1=O 269982a_100102631434_100000204591 [0,1,0,1,0,0|2,0,0]=4 10046 B10R1.61 CN(C)C1CCCNC1=O 2230a_100102631434_100000687798 [0,1,0,1,0,0|2,0,0]=4 10047 B10R1.61 CN(C)C1CCCNC1=O 269982a_100102631434_100000687798 [0,1,0,1,0,0|2,0,0]=4 10048 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,1,0,1,0,0|1,0,1]=4 10049 B10R1.110 C=C(C)CC(=O)C1CC1C 1458a_100000211227_100000748629 [0,1,0,1,0,0|1,0,1]=4 10050 B10R1.110 CC(C)CC(=O)C1CC1C 1458a_100000211227_100000210624 [0,1,0,1,0,0|1,0,0]=3 10051 B10R1.110 CC(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210624 [0,1,0,1,0,0|2,0,0]=4 10052 B10R1.110 CC(C)NC(=O)C1CC1C 11a_100138425928_100000211227 [0,1,0,1,0,0|2,0,0]=4 10053 B10R1.110 CC(C)NC(=O)C1CC1C 1626a_100138425928_100000211227 [0,1,0,1,0,0|2,0,0]=4 10054 B10R1.110 CC(C)NC(=O)C1CC1C 527a_100138425928_100000211227 [0,1,0,1,0,0|2,0,0]=4 10055 B10R1.110 CC(O)CC(=O)C1CC1C 1458a_100000211227_100011218427 [0,1,0,1,0,0|1,0,0]=3 10056 B10R1.110 CC(O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011218427 [0,1,0,1,0,0|2,0,0]=4 10057 B10R1.110 CC1CC1C(=O)CC(F)F 1458a_100000211227_100011934356 [0,1,0,1,0,0|2,0,0]=4 10058 B10R1.180 C#CCCC(=O)CC1CC1 1458a_100000692101_100000742324 [0,1,0,1,0,0|1,0,1]=4 10059 B10R1.180 C#CCCC(=O)CC1CC1 1458a_100000738066_100000753159 [0,1,0,1,0,0|1,0,1]=4 10060 B10R1.180 C#CCCC(=O)NC1CC1 1626a_100000212008_100000692101 [0,1,0,1,0,0|1,0,1]=4 10061 B10R1.180 C#CCCC(=O)NC1CC1 240690a_100000212008_100000692101 [0,1,0,1,0,0|1,0,1]=4 10062 B10R1.180 C#CCCC(=O)NC1CC1 527a_100000212008_100000692101 [0,1,0,1,0,0|1,0,1]=4 10063 B10R1.180 C/C=C/CC(=O)CC1CC1 1458a_100000738066_100102629194 [0,1,0,1,0,0|1,0,1]=4 10064 B10R1.180 C=CCCC(=O)CC1CC1 1458a_100000738066_100000754431 [0,1,0,1,0,0|1,0,1]=4 10065 B10R1.180 C=CCCC(=O)CC1CC1 1458a_100000749702_100000742324 [0,1,0,1,0,0|1,0,1]=4 10066 B10R1.180 C=CCCC(=O)NC1CC1 1626a_100000212008_100000749702 [0,1,0,1,0,0|1,0,1]=4 10067 B10R1.180 C=CCCC(=O)NC1CC1 240690a_100000212008_100000749702 [0,1,0,1,0,0|1,0,1]=4 10068 B10R1.180 C=CCCC(=O)NC1CC1 527a_100000212008_100000749702 [0,1,0,1,0,0|1,0,1]=4 10069 B10R1.180 CC#CCC(=O)CC1CC1 1458a_100000738066_100000748600 [0,1,0,1,0,0|1,0,1]=4 10070 B10R1.180 CC(CCCCl)OC1CC1 34a_200000718107_100000211595 [0,1,0,1,0,0|1,0,1]=4 10071 B10R1.180 CC=CCC(=O)CC1CC1 1458a_100000738066_100000070051 [0,1,0,1,0,0|1,0,1]=4 10072 B10R1.180 CC=CCC(=O)CC1CC1 1458a_100121576822_100000742324 [0,1,0,1,0,0|1,0,1]=4 10073 B10R1.180 CC=CCC(=O)NC1CC1 1626a_100000212008_100121576822 [0,1,0,1,0,0|1,0,1]=4 10074 B10R1.180 CC=CCC(=O)NC1CC1 240690a_100000212008_100121576822 [0,1,0,1,0,0|1,0,1]=4 10075 B10R1.180 CC=CCC(=O)NC1CC1 527a_100000212008_100121576822 [0,1,0,1,0,0|1,0,1]=4 10076 B10R1.180 CCC#CC(=O)CC1CC1 1458a_100011827653_100000742324 [0,1,0,1,0,0|1,0,1]=4 10077 B10R1.180 CCC#CC(=O)CC1CO1 1458a_100011827653_100011216344 [0,1,0,1,0,0|1,0,1]=4 10078 B10R1.180 CCC#CC(=O)CC1CS1 1458a_100011827653_100000031435 [0,1,0,1,0,0|1,0,1]=4 10079 B10R1.180 CCC#CC(=O)C[C@@H]1CO1 1458a_100011827653_100000745022 [0,1,0,1,0,0|1,0,1]=4 10080 B10R1.180 CCC=CC(=O)CC1CC1 1458a_100000212282_100000742324 [0,1,0,1,0,0|1,0,1]=4 10081 B10R1.180 CCC=CC(=O)CC1CO1 1458a_100000212282_100011216344 [0,1,0,1,0,0|1,0,1]=4 10082 B10R1.180 CCC=CC(=O)CC1CS1 1458a_100000212282_100000031435 [0,1,0,1,0,0|1,0,1]=4 10083 B10R1.180 CCC=CC(=O)C[C@@H]1CO1 1458a_100000212282_100000745022 [0,1,0,1,0,0|1,0,1]=4 10084 B10R1.180 CCC=CC(=O)NC1CC1 1626a_100000212008_100000212282 [0,1,0,1,0,0|1,0,1]=4 10085 B10R1.180 CCC=CC(=O)NC1CC1 240690a_100000212008_100000212282 [0,1,0,1,0,0|1,0,1]=4 10086 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000210183_100000742324 [0,1,0,1,0,0|1,0,0]=3 10087 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000738066_100000210211 [0,1,0,1,0,0|1,0,0]=3 10088 B10R1.180 CCCCC(=O)CC1CO1 1458a_100000210183_100011216344 [0,1,0,1,0,0|1,0,0]=3 10089 B10R1.180 CCCCC(=O)CC1CS1 1458a_100000210183_100000031435 [0,1,0,1,0,0|1,0,0]=3 10090 B10R1.180 CCCCC(=O)C[C@@H]1CO1 1458a_100000210183_100000745022 [0,1,0,1,0,0|1,0,0]=3 10091 B10R1.180 CCCCC(=O)NC1CC1 1626a_100000212008_100000210183 [0,1,0,1,0,0|1,0,0]=3 10092 B10R1.180 CCCCC(=O)NC1CC1 240690a_100000212008_100000210183 [0,1,0,1,0,0|1,0,0]=3 10093 B10R1.180 CCCCC(=O)NC1CC1 527a_100000212008_100000210183 [0,1,0,1,0,0|1,0,0]=3 10094 B10R1.180 CCCCC(C)OC1CC1 34a_100000687866_100000211595 [0,1,0,1,0,0|1,0,1]=4 10095 B10R1.180 CCCNC(=O)CC1CC1 11a_100020643023_100000738066 [0,1,0,1,0,0|1,0,0]=3 10096 B10R1.180 CCCNC(=O)CC1CC1 1626a_100020643023_100000738066 [0,1,0,1,0,0|1,0,0]=3 10097 B10R1.180 CCCNC(=O)CC1CC1 240690a_100020643023_100000738066 [0,1,0,1,0,0|1,0,0]=3 10098 B10R1.180 CCCNC(=O)CC1CC1 527a_100020643023_100000738066 [0,1,0,1,0,0|1,0,0]=3 10099 B10R1.180 CCCNC(=O)NC1CC1 2708a_100000212008_100020643023 [0,1,0,1,0,0|1,0,0]=3 10100 B10R1.180 CCCNC(=O)NC1CC1 2708a_100020643023_100000212008 [0,1,0,1,0,0|1,0,0]=3 10101 B10R1.180 CCCNC(=O)NC1CC1 273464a_100000212008_100020643023 [0,1,0,1,0,0|1,0,0]=3 10102 B10R1.180 CCCNC(=O)NC1CC1 273464a_100020643023_100000212008 [0,1,0,1,0,0|1,0,0]=3 10103 B10R1.180 CCCNC(=O)NC1CC1 512a_100000212008_100020643023 [0,1,0,1,0,0|1,0,0]=3 10104 B10R1.180 CCNCC(=O)NC1CC1 2230a_100000702991_100000210202 [0,1,0,1,0,0|1,0,0]=3 10105 B10R1.180 CCNCC(=O)NC1CC1 2230a_100015525214_100000182950 [0,1,0,1,0,0|1,0,0]=3 10106 B10R1.180 CCNNC(=O)CC1CC1 22a_100000756455_100000738066 [0,1,0,1,0,0|2,0,0]=4 10107 B10R1.180 CCNNC(=O)NC1CC1 273464a_100000212008_100000756455 [0,1,0,1,0,0|2,0,0]=4 10108 B10R1.180 CCNNC(=O)NC1CC1 512a_100000212008_100000756455 [0,1,0,1,0,0|2,0,0]=4 10109 B10R1.180 CCOCC(=O)CC1CC1 1458a_100000211967_100000742324 [0,1,0,1,0,0|1,0,0]=3 10110 B10R1.180 CCOCC(=O)CC1CO1 1458a_100000211967_100011216344 [0,1,0,1,0,0|2,0,0]=4 10111 B10R1.180 CCOCC(=O)CC1CS1 1458a_100000211967_100000031435 [0,1,0,1,0,0|2,0,0]=4 10112 B10R1.180 CCOCC(=O)C[C@@H]1CO1 1458a_100000211967_100000745022 [0,1,0,1,0,0|2,0,0]=4 10113 B10R1.180 CCOCC(=O)NC1CC1 1626a_100000212008_100000211967 [0,1,0,1,0,0|1,0,0]=3 10114 B10R1.180 CCOCC(=O)NC1CC1 240690a_100000212008_100000211967 [0,1,0,1,0,0|1,0,0]=3 10115 B10R1.180 CCOCC(=O)NC1CC1 34a_100121572206_100000182950 [0,1,0,1,0,0|1,0,0]=3 10116 B10R1.180 CCOCC(=O)NC1CC1 527a_100000212008_100000211967 [0,1,0,1,0,0|1,0,0]=3 10117 B10R1.180 CCOCC(C)OC1CC1 34a_100000718985_100000211595 [0,1,0,1,0,0|1,0,1]=4 10118 B10R1.180 CCSCC(=O)CC1CC1 1458a_100000230394_100000742324 [0,1,0,1,0,0|1,0,0]=3 10119 B10R1.180 CCSCC(=O)CC1CO1 1458a_100000230394_100011216344 [0,1,0,1,0,0|2,0,0]=4 10120 B10R1.180 CCSCC(=O)CC1CS1 1458a_100000230394_100000031435 [0,1,0,1,0,0|2,0,0]=4 10121 B10R1.180 CCSCC(=O)C[C@@H]1CO1 1458a_100000230394_100000745022 [0,1,0,1,0,0|2,0,0]=4 10122 B10R1.180 CCSCC(=O)NC1CC1 1626a_100000212008_100000230394 [0,1,0,1,0,0|1,0,0]=3 10123 B10R1.180 CCSCC(=O)NC1CC1 240690a_100000212008_100000230394 [0,1,0,1,0,0|1,0,0]=3 10124 B10R1.180 CCSCC(=O)NC1CC1 527a_100000212008_100000230394 [0,1,0,1,0,0|1,0,0]=3 10125 B10R1.180 CCSCC(=O)NC1CC1 62a_100000182950_100000210202 [0,1,0,1,0,0|1,0,0]=3 10126 B10R1.180 CCSCC(=O)NC1CC1 62a_100000210202_100000182950 [0,1,0,1,0,0|1,0,0]=3 10127 B10R1.180 CNCCC(=O)NC1CC1 2230a_106832991635_100000737409 [0,1,0,1,0,0|1,0,0]=3 10128 B10R1.180 CNCCC(=O)NC1CC1 34a_100102657272_100000737409 [0,1,0,1,0,0|1,0,0]=3 10129 B10R1.180 COCCC(=O)CC1CC1 1458a_100000738066_100000233755 [0,1,0,1,0,0|1,0,0]=3 10130 B10R1.180 COCCC(=O)CC1CC1 1458a_100000749529_100000742324 [0,1,0,1,0,0|1,0,0]=3 10131 B10R1.180 COCCC(=O)CC1CO1 1458a_100000749529_100011216344 [0,1,0,1,0,0|2,0,0]=4 10132 B10R1.180 COCCC(=O)CC1CS1 1458a_100000749529_100000031435 [0,1,0,1,0,0|2,0,0]=4 10133 B10R1.180 COCCC(=O)C[C@@H]1CO1 1458a_100000749529_100000745022 [0,1,0,1,0,0|2,0,0]=4 10134 B10R1.180 COCCC(=O)NC1CC1 1626a_100000212008_100000749529 [0,1,0,1,0,0|1,0,0]=3 10135 B10R1.180 COCCC(=O)NC1CC1 240690a_100000212008_100000749529 [0,1,0,1,0,0|1,0,0]=3 10136 B10R1.180 COCCC(=O)NC1CC1 34a_100138415774_100000737409 [0,1,0,1,0,0|1,0,0]=3 10137 B10R1.180 COCCC(=O)NC1CC1 527a_100000212008_100000749529 [0,1,0,1,0,0|1,0,0]=3 10138 B10R1.180 CSCCC(=O)CC1CC1 1458a_100000174002_100000742324 [0,1,0,1,0,0|1,0,0]=3 10139 B10R1.180 CSCCC(=O)CC1CC1 1458a_100000738066_100000751147 [0,1,0,1,0,0|1,0,0]=3 10140 B10R1.180 CSCCC(=O)CC1CO1 1458a_100000174002_100011216344 [0,1,0,1,0,0|2,0,0]=4 10141 B10R1.180 CSCCC(=O)CC1CS1 1458a_100000174002_100000031435 [0,1,0,1,0,0|2,0,0]=4 10142 B10R1.180 CSCCC(=O)C[C@@H]1CO1 1458a_100000174002_100000745022 [0,1,0,1,0,0|2,0,0]=4 10143 B10R1.180 CSCCC(=O)NC1CC1 1626a_100000212008_100000174002 [0,1,0,1,0,0|1,0,0]=3 10144 B10R1.180 CSCCC(=O)NC1CC1 240690a_100000212008_100000174002 [0,1,0,1,0,0|1,0,0]=3 10145 B10R1.180 CSCCC(=O)NC1CC1 527a_100000212008_100000174002 [0,1,0,1,0,0|1,0,0]=3 10146 B10R1.180 CSCCC(=O)NC1CC1 62a_100000737409_200000210301 [0,1,0,1,0,0|1,0,0]=3 10147 B10R1.180 CSCCC(=O)NC1CC1 62a_200000210301_100000737409 [0,1,0,1,0,0|1,0,0]=3 10148 B10R1.180 N#CCCC(=O)CC1CC1 1458a_100000738066_100011215226 [0,1,0,1,0,0|1,0,1]=4 10149 B10R1.180 N#CCCC(=O)CC1CC1 1458a_100011934036_100000742324 [0,1,0,1,0,0|1,0,1]=4 10150 B10R1.180 N#CCCC(=O)NC1CC1 1626a_100000212008_100011934036 [0,1,0,1,0,0|1,0,1]=4 10151 B10R1.180 N#CCCC(=O)NC1CC1 240690a_100000212008_100011934036 [0,1,0,1,0,0|1,0,1]=4 10152 B10R1.180 N#CCCC(=O)NC1CC1 527a_100000212008_100011934036 [0,1,0,1,0,0|1,0,1]=4 10153 B10R1.180 O=C(CC1CC1)NCCF 11a_100000724931_100000738066 [0,1,0,1,0,0|2,0,0]=4 10154 B10R1.180 O=C(CC1CC1)NCCF 1626a_100000724931_100000738066 [0,1,0,1,0,0|2,0,0]=4 10155 B10R1.180 O=C(CC1CC1)NCCF 240690a_100000724931_100000738066 [0,1,0,1,0,0|2,0,0]=4 10156 B10R1.180 O=C(CC1CC1)NCCF 527a_100000724931_100000738066 [0,1,0,1,0,0|2,0,0]=4 10157 B10R1.180 O=C(CC1CC1)NCCO 240690a_100000210304_100000738066 [0,1,0,1,0,0|2,0,0]=4 10158 B10R1.180 O=C(CC1CC1)NCCO 527a_100000210304_100000738066 [0,1,0,1,0,0|2,0,0]=4 10159 B10R1.180 O=C(CCCF)CC1CC1 1458a_100000738066_100011934791 [0,1,0,1,0,0|1,0,0]=3 10160 B10R1.180 O=C(CCCO)CC1CC1 1458a_100000738066_100011215043 [0,1,0,1,0,0|1,0,0]=3 10161 B10R1.180 O=C(CSCF)NC1CC1 62a_100000182950_100015361967 [0,1,0,1,0,0|2,0,0]=4 10162 B10R1.180 O=C(CSCF)NC1CC1 62a_100015361967_100000182950 [0,1,0,1,0,0|2,0,0]=4 10163 B10R1.180 O=C(NCCF)NC1CC1 2708a_100000212008_100000724931 [0,1,0,1,0,0|2,0,0]=4 10164 B10R1.180 O=C(NCCF)NC1CC1 273464a_100000212008_100000724931 [0,1,0,1,0,0|2,0,0]=4 10165 B10R1.180 O=C(NCCF)NC1CC1 273464a_100000724931_100000212008 [0,1,0,1,0,0|2,0,0]=4 10166 B10R1.180 O=C(NCCF)NC1CC1 512a_100000212008_100000724931 [0,1,0,1,0,0|2,0,0]=4 10167 B10R1.180 O=C(NCCO)NC1CC1 2708a_100000212008_100000210304 [0,1,0,1,0,0|2,0,0]=4 10168 B10R1.180 O=C(NCCO)NC1CC1 273464a_100000210304_100000212008 [0,1,0,1,0,0|2,0,0]=4 10169 B10R1.180 O=C(NCCO)NC1CC1 273464a_100000212008_100000210304 [0,1,0,1,0,0|2,0,0]=4 10170 B10R1.180 O=C(NCCO)NC1CC1 512a_100000212008_100000210304 [0,1,0,1,0,0|2,0,0]=4 10171 B10R1.180 [13CH3]SCCC(=O)NC1CC1 62a_100000737409_200025704644 [0,1,0,1,0,0|1,0,0]=3 10172 B10R1.180 [13CH3]SCCC(=O)NC1CC1 62a_200025704644_100000737409 [0,1,0,1,0,0|1,0,0]=3 10173 B10R1.266 C=C(C)CC(=O)C1CCC1 1458a_100000209988_100000748629 [0,1,0,1,0,0|1,0,1]=4 10174 B10R1.266 CC(=O)CC(=O)C1CCC1 1458a_100000070787_100000686122 [0,1,0,1,0,0|1,0,1]=4 10175 B10R1.266 CC(=O)CC(=O)N1CCC1 1458a_100000070787_100000185095 [0,1,0,1,0,0|1,0,1]=4 10176 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000209988_100000210624 [0,1,0,1,0,0|1,0,0]=3 10177 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000210554_100000749161 [0,1,0,1,0,0|1,0,0]=3 10178 B10R1.266 CC(C)CC(=O)C1CCO1 1458a_100000089072_100000210624 [0,1,0,1,0,0|2,0,0]=4 10179 B10R1.266 CC(C)CC(=O)C1COC1 1458a_100000210554_100000687716 [0,1,0,1,0,0|2,0,0]=4 10180 B10R1.266 CC(C)CC(=O)C1COC1 1458a_100000758290_100000210624 [0,1,0,1,0,0|2,0,0]=4 10181 B10R1.266 CC(C)CC(=O)N1CCC1 11a_100000754969_100000210554 [0,1,0,1,0,0|1,0,0]=3 10182 B10R1.266 CC(C)CC(=O)N1CCC1 240690a_100000754969_100000210554 [0,1,0,1,0,0|1,0,0]=3 10183 B10R1.266 CC(C)CC(=O)N1CCC1 527a_100000754969_100000210554 [0,1,0,1,0,0|1,0,0]=3 10184 B10R1.266 CC(C)NC(=O)C1CCC1 11a_100138425928_100000209988 [0,1,0,1,0,0|2,0,0]=4 10185 B10R1.266 CC(C)NC(=O)C1CCC1 1626a_100138425928_100000209988 [0,1,0,1,0,0|2,0,0]=4 10186 B10R1.266 CC(C)NC(=O)C1CCC1 240690a_100138425928_100000209988 [0,1,0,1,0,0|2,0,0]=4 10187 B10R1.266 CC(C)NC(=O)C1CCC1 527a_100138425928_100000209988 [0,1,0,1,0,0|2,0,0]=4 10188 B10R1.266 CC(C)NC(=O)N1CCC1 2708a_100138425928_100000754969 [0,1,0,1,0,0|2,0,0]=4 10189 B10R1.266 CC(C)NC(=O)N1CCC1 273464a_100138425928_100000754969 [0,1,0,1,0,0|2,0,0]=4 10190 B10R1.266 CC(O)CC(=O)C1CCC1 1458a_100000209988_100011218427 [0,1,0,1,0,0|1,0,0]=3 10191 B10R1.266 CC(O)CC(=O)C1CCO1 1458a_100000089072_100011218427 [0,1,0,1,0,0|2,0,0]=4 10192 B10R1.266 CC(O)CC(=O)C1COC1 1458a_100000758290_100011218427 [0,1,0,1,0,0|2,0,0]=4 10193 B10R1.266 CN(C)CC(=O)C1CCC1 1458a_100000750896_100000749161 [0,1,0,1,0,0|2,0,0]=4 10194 B10R1.266 CN(C)CC(=O)C1CCC1 2230a_100102631434_100000686122 [0,1,0,1,0,0|2,0,0]=4 10195 B10R1.266 CN(C)CC(=O)C1CCC1 269982a_100102631434_100000686122 [0,1,0,1,0,0|2,0,0]=4 10196 B10R1.266 CN(C)CC(=O)N1CCC1 11a_100000754969_100000750896 [0,1,0,1,0,0|2,0,0]=4 10197 B10R1.266 CN(C)CC(=O)N1CCC1 2230a_100102631434_100000185095 [0,1,0,1,0,0|2,0,0]=4 10198 B10R1.266 CN(C)CC(=O)N1CCC1 240690a_100000754969_100000750896 [0,1,0,1,0,0|2,0,0]=4 10199 B10R1.266 CN(C)CC(=O)N1CCC1 269982a_100102631434_100000185095 [0,1,0,1,0,0|2,0,0]=4 10200 B10R1.266 CN(C)CC(=O)N1CCC1 527a_100000754969_100000750896 [0,1,0,1,0,0|2,0,0]=4 10201 B10R1.266 C[C@@H](O)CC(=O)C1CCC1 1458a_100011933948_100000749161 [0,1,0,1,0,0|1,0,0]=3 10202 B10R1.266 C[C@@H](O)CC(=O)C1COC1 1458a_100011933948_100000687716 [0,1,0,1,0,0|2,0,0]=4 10203 B10R1.266 C[C@@H](O)CC(=O)N1CCC1 240690a_100000754969_100011933948 [0,1,0,1,0,0|1,0,0]=3 10204 B10R1.266 C[S+](C)CC(=O)C1CCC1 1458a_200159257847_100000749161 [0,1,0,1,0,0|2,0,0]=4 10205 B10R1.266 C[S+](C)CC(=O)N1CCC1 11a_100000754969_200159257847 [0,1,0,1,0,0|2,0,0]=4 10206 B10R1.266 C[S+](C)CC(=O)N1CCC1 240690a_100000754969_200159257847 [0,1,0,1,0,0|2,0,0]=4 10207 B10R1.266 C[S+](C)CC(=O)N1CCC1 527a_100000754969_200159257847 [0,1,0,1,0,0|2,0,0]=4 10208 B10R1.266 O=C(CC(F)F)C1CCC1 1458a_100000209988_100011934356 [0,1,0,1,0,0|2,0,0]=4 10209 B10R1.268 C=C(C)CC(=O)CC1CC1 1458a_100000738066_100000748629 [0,1,0,1,0,0|1,0,1]=4 10210 B10R1.268 CC(=O)CC(=O)NC1CC1 1458a_100000070787_100000182950 [0,1,0,1,0,0|1,0,1]=4 10211 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000210554_100000742324 [0,1,0,1,0,0|1,0,0]=3 10212 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000738066_100000210624 [0,1,0,1,0,0|1,0,0]=3 10213 B10R1.268 CC(C)CC(=O)CC1CO1 1458a_100000210554_100011216344 [0,1,0,1,0,0|2,0,0]=4 10214 B10R1.268 CC(C)CC(=O)CC1CS1 1458a_100000210554_100000031435 [0,1,0,1,0,0|2,0,0]=4 10215 B10R1.268 CC(C)CC(=O)C[C@@H]1CO1 1458a_100000210554_100000745022 [0,1,0,1,0,0|2,0,0]=4 10216 B10R1.268 CC(C)CC(=O)NC1CC1 1626a_100000212008_100000210554 [0,1,0,1,0,0|1,0,0]=3 10217 B10R1.268 CC(C)CC(=O)NC1CC1 240690a_100000212008_100000210554 [0,1,0,1,0,0|1,0,0]=3 10218 B10R1.268 CC(C)CC(=O)NC1CC1 527a_100000212008_100000210554 [0,1,0,1,0,0|1,0,0]=3 10219 B10R1.268 CC(C)CC(C)OC1CC1 34a_100000211805_100000211595 [0,1,0,1,0,0|1,0,1]=4 10220 B10R1.268 CC(C)NC(=O)CC1CC1 11a_100138425928_100000738066 [0,1,0,1,0,0|2,0,0]=4 10221 B10R1.268 CC(C)NC(=O)CC1CC1 1626a_100138425928_100000738066 [0,1,0,1,0,0|2,0,0]=4 10222 B10R1.268 CC(C)NC(=O)CC1CC1 240690a_100138425928_100000738066 [0,1,0,1,0,0|2,0,0]=4 10223 B10R1.268 CC(C)NC(=O)CC1CC1 527a_100138425928_100000738066 [0,1,0,1,0,0|2,0,0]=4 10224 B10R1.268 CC(C)NC(=O)NC1CC1 2708a_100000212008_100138425928 [0,1,0,1,0,0|2,0,0]=4 10225 B10R1.268 CC(C)NC(=O)NC1CC1 2708a_100138425928_100000212008 [0,1,0,1,0,0|2,0,0]=4 10226 B10R1.268 CC(C)NC(=O)NC1CC1 273464a_100138425928_100000212008 [0,1,0,1,0,0|2,0,0]=4 10227 B10R1.268 CC(C)NC(=O)NC1CC1 512a_100000212008_100138425928 [0,1,0,1,0,0|2,0,0]=4 10228 B10R1.268 CC(O)CC(=O)CC1CC1 1458a_100000738066_100011218427 [0,1,0,1,0,0|1,0,0]=3 10229 B10R1.268 CN(C)CC(=O)CC1CC1 1458a_100000750896_100000742324 [0,1,0,1,0,0|2,0,0]=4 10230 B10R1.268 CN(C)CC(=O)NC1CC1 2230a_100102631434_100000182950 [0,1,0,1,0,0|2,0,0]=4 10231 B10R1.268 CN(C)CC(=O)NC1CC1 240690a_100000212008_100000750896 [0,1,0,1,0,0|2,0,0]=4 10232 B10R1.268 CN(C)CC(=O)NC1CC1 269982a_100102631434_100000182950 [0,1,0,1,0,0|2,0,0]=4 10233 B10R1.268 CN(C)CC(=O)NC1CC1 527a_100000212008_100000750896 [0,1,0,1,0,0|2,0,0]=4 10234 B10R1.268 C[C@@H](O)CC(=O)CC1CC1 1458a_100011933948_100000742324 [0,1,0,1,0,0|1,0,0]=3 10235 B10R1.268 C[C@@H](O)CC(=O)CC1CO1 1458a_100011933948_100011216344 [0,1,0,1,0,0|2,0,0]=4 10236 B10R1.268 C[C@@H](O)CC(=O)CC1CS1 1458a_100011933948_100000031435 [0,1,0,1,0,0|2,0,0]=4 10237 B10R1.268 C[C@@H](O)CC(=O)C[C@@H]1CO1 1458a_100011933948_100000745022 [0,1,0,1,0,0|2,0,0]=4 10238 B10R1.268 C[C@@H](O)CC(=O)NC1CC1 240690a_100000212008_100011933948 [0,1,0,1,0,0|1,0,0]=3 10239 B10R1.268 C[S+](C)CC(=O)CC1CC1 1458a_200159257847_100000742324 [0,1,0,1,0,0|2,0,0]=4 10240 B10R1.268 C[S+](C)CC(=O)NC1CC1 1626a_100000212008_200159257847 [0,1,0,1,0,0|2,0,0]=4 10241 B10R1.268 C[S+](C)CC(=O)NC1CC1 240690a_100000212008_200159257847 [0,1,0,1,0,0|2,0,0]=4 10242 B10R1.268 C[S+](C)CC(=O)NC1CC1 527a_100000212008_200159257847 [0,1,0,1,0,0|2,0,0]=4 10243 B10R1.268 O=C(CC(F)F)CC1CC1 1458a_100000738066_100011934356 [0,1,0,1,0,0|2,0,0]=4 10244 B10R1.293 C#CCCC(=O)C1CC1C 1458a_100000211227_100000753159 [0,1,0,1,0,0|1,0,1]=4 10245 B10R1.293 C/C=C/CC(=O)C1CC1C 1458a_100000211227_100102629194 [0,1,0,1,0,0|1,0,1]=4 10246 B10R1.293 C=CCCC(=O)C1CC1C 1458a_100000211227_100000754431 [0,1,0,1,0,0|1,0,1]=4 10247 B10R1.293 CC#CCC(=O)C1CC1C 1458a_100000211227_100000748600 [0,1,0,1,0,0|1,0,1]=4 10248 B10R1.293 CC1CC1C(=O)CCC#N 1458a_100000211227_100011215226 [0,1,0,1,0,0|1,0,1]=4 10249 B10R1.293 CC1CC1C(=O)CCCF 1458a_100000211227_100011934791 [0,1,0,1,0,0|1,0,0]=3 10250 B10R1.293 CC1CC1C(=O)CCCO 1458a_100000211227_100011215043 [0,1,0,1,0,0|1,0,0]=3 10251 B10R1.293 CC1CC1C(=O)NCCF 11a_100000724931_100000211227 [0,1,0,1,0,0|2,0,0]=4 10252 B10R1.293 CC1CC1C(=O)NCCF 1626a_100000724931_100000211227 [0,1,0,1,0,0|2,0,0]=4 10253 B10R1.293 CC1CC1C(=O)NCCF 527a_100000724931_100000211227 [0,1,0,1,0,0|2,0,0]=4 10254 B10R1.293 CC1CC1C(=O)NCCO 527a_100000210304_100000211227 [0,1,0,1,0,0|2,0,0]=4 10255 B10R1.293 CC=CCC(=O)C1CC1C 1458a_100000211227_100000070051 [0,1,0,1,0,0|1,0,1]=4 10256 B10R1.293 CCCCC(=O)C1CC1C 1458a_100000211227_100000210211 [0,1,0,1,0,0|1,0,0]=3 10257 B10R1.293 CCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210211 [0,1,0,1,0,0|1,0,0]=3 10258 B10R1.293 CCCNC(=O)C1CC1C 11a_100020643023_100000211227 [0,1,0,1,0,0|1,0,0]=3 10259 B10R1.293 CCCNC(=O)C1CC1C 1626a_100020643023_100000211227 [0,1,0,1,0,0|1,0,0]=3 10260 B10R1.293 CCCNC(=O)C1CC1C 527a_100020643023_100000211227 [0,1,0,1,0,0|1,0,0]=3 10261 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 11a_100020643023_100015396687 [0,1,0,1,0,0|1,0,0]=3 10262 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100020643023_100015396687 [0,1,0,1,0,0|1,0,0]=3 10263 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 527a_100020643023_100015396687 [0,1,0,1,0,0|1,0,0]=3 10264 B10R1.293 CCNNC(=O)C1CC1C 22a_100000756455_100000211227 [0,1,0,1,0,0|2,0,0]=4 10265 B10R1.293 CCNNC(=O)[C@@H]1C[C@@H]1F 22a_100000756455_100015396687 [0,1,0,1,0,0|2,0,0]=4 10266 B10R1.293 COCCC(=O)C1CC1C 1458a_100000211227_100000233755 [0,1,0,1,0,0|1,0,0]=3 10267 B10R1.293 COCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000233755 [0,1,0,1,0,0|2,0,0]=4 10268 B10R1.293 CSCCC(=O)C1CC1C 1458a_100000211227_100000751147 [0,1,0,1,0,0|1,0,0]=3 10269 B10R1.293 CSCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000751147 [0,1,0,1,0,0|2,0,0]=4 10270 B10R1.293 O=C(CCCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100011934791 [0,1,0,1,0,0|2,0,0]=4 10271 B10R1.293 O=C(CCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215043 [0,1,0,1,0,0|2,0,0]=4 10272 B10R1.293 O=C(NCCF)[C@@H]1C[C@@H]1F 11a_100000724931_100015396687 [0,1,0,1,0,0|2,0,0]=4 10273 B10R1.293 O=C(NCCF)[C@@H]1C[C@@H]1F 240690a_100000724931_100015396687 [0,1,0,1,0,0|2,0,0]=4 10274 B10R1.293 O=C(NCCF)[C@@H]1C[C@@H]1F 527a_100000724931_100015396687 [0,1,0,1,0,0|2,0,0]=4 10275 B10R1.293 O=C(NCCO)[C@@H]1C[C@@H]1F 240690a_100000210304_100015396687 [0,1,0,1,0,0|2,0,0]=4 10276 B10R1.293 O=C(NCCO)[C@@H]1C[C@@H]1F 527a_100000210304_100015396687 [0,1,0,1,0,0|2,0,0]=4 10277 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,1,0,1,0,0|2,0,0]=4 10278 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,1,0,1,0,0|2,0,0]=4 10279 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,1,0,1,0,0|2,0,0]=4 10280 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,1,0,1,0,0|2,0,0]=4 10281 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [0,1,0,1,0,0|2,0,0]=4 10282 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,1,0,0|1,0,0]=3 10283 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,1,0,1,0,0|2,0,0]=4 10284 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,1,0,1,0,0|1,0,0]=3 10285 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,1,0,1,0,0|2,0,0]=4 10286 B10R1.10 COCC1COCC(=O)N1 34a_200000101122_200000210301 [0,1,0,1,0,0|2,0,0]=4 10287 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,1,0,1,0,0|2,0,0]=4 10288 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,1,0,1,0,0|1,0,0]=3 10289 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,1,0,1,0,0|2,0,0]=4 10290 B10R1.10 [13CH3]OCC1COCC(=O)N1 34a_200000101122_200025704644 [0,1,0,1,0,0|2,0,0]=4 10291 B10R1.11 C#CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000184674 [0,1,0,1,0,0|0,0,2]=4 10292 B10R1.11 C=CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210623 [0,1,0,1,0,0|0,0,2]=4 10293 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,1,0,1,0,0|1,0,0]=3 10294 B10R1.11 CCCC(=O)C1=CCOC1 1458a_100000139269_100000210303 [0,1,0,1,0,0|1,0,1]=4 10295 B10R1.11 CCCC(=O)C1=COCC1 1458a_100000750620_100000210303 [0,1,0,1,0,0|1,0,1]=4 10296 B10R1.11 CCCC(=O)C1CC=CC1 1458a_100000759439_100000210303 [0,1,0,1,0,0|1,0,1]=4 10297 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,1,0,1,0,0|1,0,0]=3 10298 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,1,0,1,0,0|1,0,0]=3 10299 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,1,0,1,0,0|0,1,0]=3 10300 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [0,1,0,1,0,0|1,0,0]=3 10301 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [0,1,0,1,0,0|1,0,0]=3 10302 B10R1.11 CCCC(=O)N1CC=CC1 1626a_100015195280_100000211992 [0,1,0,1,0,0|1,0,1]=4 10303 B10R1.11 CCCC(=O)N1CC=CC1 240690a_100015195280_100000211992 [0,1,0,1,0,0|1,0,1]=4 10304 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [0,1,0,1,0,0|1,0,0]=3 10305 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [0,1,0,1,0,0|1,0,0]=3 10306 B10R1.11 CCCC(=O)N1CCSC1 11a_100011215254_100000211992 [0,1,0,1,0,0|1,0,0]=3 10307 B10R1.11 CCCC(=O)N1CCSC1 240690a_100011215254_100000211992 [0,1,0,1,0,0|1,0,0]=3 10308 B10R1.11 CCCC(=O)N1CCSC1 527a_100011215254_100000211992 [0,1,0,1,0,0|1,0,0]=3 10309 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,1,0,1,0,0|0,0,0]=2 10310 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,1,0,1,0,0|2,0,0]=4 10311 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,1,0,1,0,0|2,0,0]=4 10312 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,1,0,1,0,0|2,0,0]=4 10313 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,1,0,1,0,0|2,0,0]=4 10314 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,1,0,1,0,0|2,0,0]=4 10315 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,1,0,1,0,0|1,1,0]=4 10316 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,1,0,1,0,0|1,1,0]=4 10317 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,1,0,1,0,0|1,1,0]=4 10318 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [0,1,0,1,0,0|2,0,0]=4 10319 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [0,1,0,1,0,0|2,0,0]=4 10320 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [0,1,0,1,0,0|2,0,0]=4 10321 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [0,1,0,1,0,0|2,0,0]=4 10322 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [0,1,0,1,0,0|2,0,0]=4 10323 B10R1.11 CCNC(=O)N1CCSC1 2708a_100015525214_100011215254 [0,1,0,1,0,0|2,0,0]=4 10324 B10R1.11 CCNC(=O)N1CCSC1 273464a_100015525214_100011215254 [0,1,0,1,0,0|2,0,0]=4 10325 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,1,0,1,0,0|1,0,0]=3 10326 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,1,0,1,0,0|1,0,0]=3 10327 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,1,0,1,0,0|1,0,0]=3 10328 B10R1.11 CNCC(=O)N1CCCC1 2230a_100000751844_200000210301 [0,1,0,1,0,0|2,0,0]=4 10329 B10R1.11 CNCC(=O)N1CCCC1 2230a_106832991635_100000183516 [0,1,0,1,0,0|2,0,0]=4 10330 B10R1.11 CNCC(=O)N1CCCC1 34a_100102657272_100000183516 [0,1,0,1,0,0|2,0,0]=4 10331 B10R1.11 CNCC(=O)N1CCCC1 7a_106832991635_100000183516 [0,1,0,1,0,0|2,0,0]=4 10332 B10R1.11 CNNC(=O)[C@@H]1CCCO1 22a_100016993582_100000686382 [0,1,0,1,0,0|2,0,0]=4 10333 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,1,0,1,0,0|2,0,0]=4 10334 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [0,1,0,1,0,0|2,0,0]=4 10335 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [0,1,0,1,0,0|2,0,0]=4 10336 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [0,1,0,1,0,0|2,0,0]=4 10337 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [0,1,0,1,0,0|2,0,0]=4 10338 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [0,1,0,1,0,0|2,0,0]=4 10339 B10R1.11 COCC(=O)N1CCSC1 11a_100011215254_100000210968 [0,1,0,1,0,0|2,0,0]=4 10340 B10R1.11 COCC(=O)N1CCSC1 240690a_100011215254_100000210968 [0,1,0,1,0,0|2,0,0]=4 10341 B10R1.11 COCC(=O)N1CCSC1 527a_100011215254_100000210968 [0,1,0,1,0,0|2,0,0]=4 10342 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,1,0,1,0,0|2,0,0]=4 10343 B10R1.11 CSCC(=O)C1CCOC1 1458a_100000184570_100000690089 [0,1,0,1,0,0|2,0,0]=4 10344 B10R1.11 CSCC(=O)N1CCCC1 240690a_100000188435_100000184570 [0,1,0,1,0,0|2,0,0]=4 10345 B10R1.11 CSCC(=O)N1CCCC1 527a_100000188435_100000184570 [0,1,0,1,0,0|2,0,0]=4 10346 B10R1.11 CSCC(=O)N1CCCC1 62a_100000183516_200000210301 [0,1,0,1,0,0|2,0,0]=4 10347 B10R1.11 CSCC(=O)N1CCCC1 62a_200000210301_100000183516 [0,1,0,1,0,0|2,0,0]=4 10348 B10R1.11 CSCC(=O)N1CCSC1 11a_100011215254_100000184570 [0,1,0,1,0,0|2,0,0]=4 10349 B10R1.11 CSCC(=O)N1CCSC1 240690a_100011215254_100000184570 [0,1,0,1,0,0|2,0,0]=4 10350 B10R1.11 CSCC(=O)N1CCSC1 527a_100011215254_100000184570 [0,1,0,1,0,0|2,0,0]=4 10351 B10R1.11 N#CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011214920 [0,1,0,1,0,0|1,0,1]=4 10352 B10R1.11 O=C(CCF)C1=CCCC1 1458a_100000038896_100011217306 [0,1,0,1,0,0|2,0,0]=4 10353 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,1,0,1,0,0|2,0,0]=4 10354 B10R1.11 O=C(CCF)C1CCCS1 1458a_100012002731_100011217306 [0,1,0,1,0,0|1,1,0]=4 10355 B10R1.11 O=C(CCF)C1CCOC1 1458a_100011219752_100011217306 [0,1,0,1,0,0|2,0,0]=4 10356 B10R1.11 O=C(CCF)[C@@H]1CCCO1 1458a_100000686382_100011217306 [0,1,0,1,0,0|1,0,0]=3 10357 B10R1.11 O=C(CCO)C1=CCCC1 1458a_100000038896_100000211926 [0,1,0,1,0,0|2,0,0]=4 10358 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,1,0,1,0,0|2,0,0]=4 10359 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,1,0,1,0,0|2,0,0]=4 10360 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,1,0,1,0,0|1,1,0]=4 10361 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [0,1,0,1,0,0|2,0,0]=4 10362 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [0,1,0,1,0,0|2,0,0]=4 10363 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [0,1,0,1,0,0|2,0,0]=4 10364 B10R1.11 O=C(CCO)N1CCSC1 240690a_100011215254_100011216618 [0,1,0,1,0,0|2,0,0]=4 10365 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [0,1,0,1,0,0|1,0,0]=3 10366 B10R1.11 [13CH3]NCC(=O)N1CCCC1 2230a_100000751844_200025704644 [0,1,0,1,0,0|2,0,0]=4 10367 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [0,1,0,1,0,0|2,0,0]=4 10368 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_100000183516_200025704644 [0,1,0,1,0,0|2,0,0]=4 10369 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_200025704644_100000183516 [0,1,0,1,0,0|2,0,0]=4 10370 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|2,0,0]=4 10371 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,1,0,1,0,0|2,0,0]=4 10372 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,1,0,1,0,0|2,0,0]=4 10373 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,1,0,1,0,0|2,0,0]=4 10374 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,1,0,1,0,0|2,0,0]=4 10375 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,1,0,1,0,0|2,0,0]=4 10376 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,1,0,1,0,0|2,0,0]=4 10377 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,1,0,1,0,0|2,0,0]=4 10378 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,1,0,1,0,0|2,0,0]=4 10379 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,1,0,1,0,0|2,0,0]=4 10380 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,1,0,1,0,0|2,0,0]=4 10381 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,1,0,1,0,0|2,0,0]=4 10382 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,1,0,1,0,0|2,0,0]=4 10383 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,1,0,1,0,0|2,0,0]=4 10384 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,1,0,1,0,0|2,0,0]=4 10385 B10R1.21 BrCCCOC1CCCC1 34a_100011217188_100000179811 [0,1,0,1,0,0|1,0,1]=4 10386 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [0,1,0,1,0,0|1,0,1]=4 10387 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [0,1,0,1,0,0|1,0,1]=4 10388 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [0,1,0,1,0,0|1,0,1]=4 10389 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [0,1,0,1,0,0|1,0,1]=4 10390 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [0,1,0,1,0,0|0,0,2]=4 10391 B10R1.21 CCCNN=C1CCCC1 4a_100000740057_100000210133 [0,1,0,1,0,0|2,0,0]=4 10392 B10R1.21 CCCOCC1=NCCN1 34a_100000210258_100000737910 [0,1,0,1,0,0|2,0,0]=4 10393 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [0,1,0,1,0,0|1,0,1]=4 10394 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [0,1,0,1,0,0|1,0,1]=4 10395 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [0,1,0,1,0,0|1,0,1]=4 10396 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [0,1,0,1,0,0|0,0,2]=4 10397 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [0,1,0,1,0,0|0,0,2]=4 10398 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [0,1,0,1,0,0|1,0,1]=4 10399 B10R1.21 CNCCOC1CCCC1 34a_100000741755_200000210301 [0,1,0,1,0,0|1,0,1]=4 10400 B10R1.21 COCCOC1CCCC1 34a_100000210237_100000179811 [0,1,0,1,0,0|1,0,1]=4 10401 B10R1.21 COCCOC1CCCC1 34a_100000210269_100011201679 [0,1,0,1,0,0|1,0,1]=4 10402 B10R1.21 COCCOC1CCCC1 34a_100000738311_200000210301 [0,1,0,1,0,0|1,0,1]=4 10403 B10R1.21 COCCOC1CCCC1 7a_100000210269_100000233755 [0,1,0,1,0,0|1,0,1]=4 10404 B10R1.21 COCCOC1CCCC1 7a_100000738311_200000210301 [0,1,0,1,0,0|1,0,1]=4 10405 B10R1.21 COCCOC1CCCO1 34a_100000085407_100011201679 [0,1,0,1,0,0|0,0,2]=4 10406 B10R1.21 CSCCOC1CCCC1 34a_100000210269_100000212216 [0,1,0,1,0,0|1,0,1]=4 10407 B10R1.21 CSCCOC1CCCC1 34a_100000230434_100000179811 [0,1,0,1,0,0|1,0,1]=4 10408 B10R1.21 CSCCOC1CCCC1 7a_100000210269_100000212216 [0,1,0,1,0,0|1,0,1]=4 10409 B10R1.21 CSCCOC1CCCC1 7a_100000230434_100000179811 [0,1,0,1,0,0|1,0,1]=4 10410 B10R1.21 CSCCOC1CCCO1 34a_100000085407_100000212216 [0,1,0,1,0,0|0,0,2]=4 10411 B10R1.21 ClCCCOC1CCCC1 34a_100000230001_100000179811 [0,1,0,1,0,0|1,0,1]=4 10412 B10R1.21 FCCCOC1CCCC1 34a_100000210269_100011934791 [0,1,0,1,0,0|1,0,1]=4 10413 B10R1.21 FCCCOC1CCCC1 34a_100000759539_100000179811 [0,1,0,1,0,0|1,0,1]=4 10414 B10R1.21 FCCCOC1CCCC1 7a_100000210269_100011934791 [0,1,0,1,0,0|1,0,1]=4 10415 B10R1.21 FCCCOC1CCCO1 34a_100000085407_100011934791 [0,1,0,1,0,0|0,0,2]=4 10416 B10R1.21 NCCCOC1CCCC1 34a_100000182051_100000179811 [0,1,0,1,0,0|1,0,1]=4 10417 B10R1.21 OCCCOC1CCCC1 34a_100000210269_100000230001 [0,1,0,1,0,0|1,0,1]=4 10418 B10R1.21 OCCCOC1CCCC1 7a_100000210269_100011215043 [0,1,0,1,0,0|1,0,1]=4 10419 B10R1.21 OCCCOC1CCCO1 34a_100000085407_100000230001 [0,1,0,1,0,0|0,0,2]=4 10420 B10R1.21 [13CH3]NCCOC1CCCC1 34a_100000741755_200025704644 [0,1,0,1,0,0|1,0,1]=4 10421 B10R1.21 [13CH3]OCCOC1CCCC1 34a_100000738311_200025704644 [0,1,0,1,0,0|1,0,1]=4 10422 B10R1.21 [13CH3]OCCOC1CCCC1 7a_100000738311_200025704644 [0,1,0,1,0,0|1,0,1]=4 10423 B10R1.29 C#CCOC1CCCC1=O 34a_100000210247_100000709159 [0,1,0,1,0,0|0,0,2]=4 10424 B10R1.29 C#CCOC1CCCC1=O 34a_200000719330_100000184674 [0,1,0,1,0,0|0,0,2]=4 10425 B10R1.29 C=CCOC1CCCC1=O 34a_200000210373_100000709159 [0,1,0,1,0,0|0,0,2]=4 10426 B10R1.29 C=CCOC1CCCC1=O 34a_200000719330_100015514636 [0,1,0,1,0,0|0,0,2]=4 10427 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [0,1,0,1,0,0|2,0,0]=4 10428 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [0,1,0,1,0,0|2,0,0]=4 10429 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,1,0,1,0,0|0,0,0]=2 10430 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,1,0,1,0,0|0,0,0]=2 10431 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [0,1,0,1,0,0|1,0,1]=4 10432 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [0,1,0,1,0,0|1,0,1]=4 10433 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,1,0,1,0,0|1,0,0]=3 10434 B10R1.29 CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210303 [0,1,0,1,0,0|1,0,1]=4 10435 B10R1.29 CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210303 [0,1,0,1,0,0|1,0,1]=4 10436 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [0,1,0,1,0,0|1,0,0]=3 10437 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,1,0,1,0,0|0,1,0]=3 10438 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,1,0,1,0,0|0,1,0]=3 10439 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,1,0,1,0,0|1,1,0]=4 10440 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,1,0,1,0,0|1,1,0]=4 10441 B10R1.29 CCOCC1=CCCC1=O 34a_100000087531_100000210202 [0,1,0,1,0,0|1,0,1]=4 10442 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [0,1,0,1,0,0|2,0,0]=4 10443 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [0,1,0,1,0,0|1,0,0]=3 10444 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [0,1,0,1,0,0|1,0,0]=3 10445 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [0,1,0,1,0,0|1,0,0]=3 10446 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [0,1,0,1,0,0|1,0,0]=3 10447 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [0,1,0,1,0,0|1,0,0]=3 10448 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [0,1,0,1,0,0|1,0,0]=3 10449 B10R1.29 CNCCN1CCNC1=O 2230a_100011207550_200000210301 [0,1,0,1,0,0|2,0,0]=4 10450 B10R1.29 CNCCN1CCNC1=O 2230a_106832991635_100000090651 [0,1,0,1,0,0|2,0,0]=4 10451 B10R1.29 CNCCN1CCNC1=O 7a_106832991635_100000090651 [0,1,0,1,0,0|2,0,0]=4 10452 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [0,1,0,1,0,0|1,0,0]=3 10453 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [0,1,0,1,0,0|1,0,0]=3 10454 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [0,1,0,1,0,0|1,0,0]=3 10455 B10R1.29 COCCN1CCNC1=O 34a_100000216532_200000210301 [0,1,0,1,0,0|2,0,0]=4 10456 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [0,1,0,1,0,0|1,1,0]=4 10457 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [0,1,0,1,0,0|1,1,0]=4 10458 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [0,1,0,1,0,0|1,0,0]=3 10459 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [0,1,0,1,0,0|1,0,0]=3 10460 B10R1.29 CSCCN1CCNC1=O 62a_100000090651_200000210301 [0,1,0,1,0,0|2,0,0]=4 10461 B10R1.29 CSCCN1CCNC1=O 62a_200000210301_100000090651 [0,1,0,1,0,0|2,0,0]=4 10462 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [0,1,0,1,0,0|1,0,0]=3 10463 B10R1.29 CSCO[C@H]1CCNC1=O 34a_100000688343_100011218213 [0,1,0,1,0,0|2,0,0]=4 10464 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [0,1,0,1,0,0|1,1,0]=4 10465 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [0,1,0,1,0,0|1,1,0]=4 10466 B10R1.29 NCCOC1CCCC1=O 34a_100000210304_100000709159 [0,1,0,1,0,0|1,0,0]=3 10467 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [0,1,0,1,0,0|2,0,0]=4 10468 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [0,1,0,1,0,0|2,0,0]=4 10469 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [0,1,0,1,0,0|2,0,0]=4 10470 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [0,1,0,1,0,0|2,0,0]=4 10471 B10R1.29 O=C1CCCC1OCCBr 34a_100000211926_100000709159 [0,1,0,1,0,0|1,0,0]=3 10472 B10R1.29 O=C1CCCC1OCCF 34a_200000719330_100011217306 [0,1,0,1,0,0|1,0,0]=3 10473 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [0,1,0,1,0,0|1,0,0]=3 10474 B10R1.29 O=C1CCCC1SCCF 62a_100000211823_100011217306 [0,1,0,1,0,0|1,1,0]=4 10475 B10R1.29 O=C1CCCC1SCCF 62a_100011217306_100000211823 [0,1,0,1,0,0|1,1,0]=4 10476 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [0,1,0,1,0,0|1,1,0]=4 10477 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [0,1,0,1,0,0|1,1,0]=4 10478 B10R1.29 O=C1CCCN1CSCF 62a_100000026320_100015361967 [0,1,0,1,0,0|2,0,0]=4 10479 B10R1.29 O=C1CCCN1CSCF 62a_100015361967_100000026320 [0,1,0,1,0,0|2,0,0]=4 10480 B10R1.29 O=C1NCC[C@@H]1OCCF 34a_100000688343_100011217306 [0,1,0,1,0,0|2,0,0]=4 10481 B10R1.29 O=C1NCC[C@@H]1OCCO 34a_100000688343_100000211926 [0,1,0,1,0,0|2,0,0]=4 10482 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [0,1,0,1,0,0|2,0,0]=4 10483 B10R1.29 O=CCOC1CCCC1=O 34a_200000719330_200009817547 [0,1,0,1,0,0|1,0,1]=4 10484 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [0,1,0,1,0,0|1,0,0]=3 10485 B10R1.29 [13CH3]NCCN1CCNC1=O 2230a_100011207550_200025704644 [0,1,0,1,0,0|2,0,0]=4 10486 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [0,1,0,1,0,0|1,0,0]=3 10487 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [0,1,0,1,0,0|1,0,0]=3 10488 B10R1.29 [13CH3]OCCN1CCNC1=O 34a_100000216532_200025704644 [0,1,0,1,0,0|2,0,0]=4 10489 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [0,1,0,1,0,0|1,0,0]=3 10490 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [0,1,0,1,0,0|1,0,0]=3 10491 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_100000090651_200025704644 [0,1,0,1,0,0|2,0,0]=4 10492 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_200025704644_100000090651 [0,1,0,1,0,0|2,0,0]=4 10493 B10R1.96 CCCc1nc(no1)CC 270196a_200000212204_100000211992 [0,1,0,1,0,0|1,0,1]=4 10494 B10R1.96 CCCc1noc(n1)CC 270196a_100011193412_100000210414 [0,1,0,1,0,0|1,0,1]=4 10495 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [0,1,0,1,0,0|2,0,0]=4 10496 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [0,1,0,1,0,0|2,0,0]=4 10497 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,1,0,1,0,0|1,0,0]=3 10498 B10R1.135 CCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210303 [0,1,0,1,0,0|1,0,1]=4 10499 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,1,0,1,0,0|2,0,0]=4 10500 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,1,0,1,0,0|2,0,0]=4 10501 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,1,0,1,0,0|2,0,0]=4 10502 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211992 [0,1,0,1,0,0|1,0,0]=3 10503 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211992 [0,1,0,1,0,0|1,0,0]=3 10504 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211992 [0,1,0,1,0,0|1,0,0]=3 10505 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211992 [0,1,0,1,0,0|1,0,0]=3 10506 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211992 [0,1,0,1,0,0|1,0,0]=3 10507 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211992 [0,1,0,1,0,0|1,0,0]=3 10508 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100015525214_100015190264 [0,1,0,1,0,0|2,0,0]=4 10509 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100015525214 [0,1,0,1,0,0|2,0,0]=4 10510 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015525214_100015190264 [0,1,0,1,0,0|2,0,0]=4 10511 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 512a_100015525214_100015190264 [0,1,0,1,0,0|2,0,0]=4 10512 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 2708a_100015525214_100025746932 [0,1,0,1,0,0|2,0,0]=4 10513 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 273464a_100015525214_100025746932 [0,1,0,1,0,0|2,0,0]=4 10514 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 512a_100015525214_100025746932 [0,1,0,1,0,0|2,0,0]=4 10515 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100015525214 [0,1,0,1,0,0|2,0,0]=4 10516 B10R1.136 COCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210968 [0,1,0,1,0,0|2,0,0]=4 10517 B10R1.136 COCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210968 [0,1,0,1,0,0|2,0,0]=4 10518 B10R1.136 COCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210968 [0,1,0,1,0,0|2,0,0]=4 10519 B10R1.136 COCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210968 [0,1,0,1,0,0|2,0,0]=4 10520 B10R1.136 COCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210968 [0,1,0,1,0,0|2,0,0]=4 10521 B10R1.136 COCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210968 [0,1,0,1,0,0|2,0,0]=4 10522 B10R1.136 CSCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000184570 [0,1,0,1,0,0|2,0,0]=4 10523 B10R1.136 CSCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000184570 [0,1,0,1,0,0|2,0,0]=4 10524 B10R1.136 CSCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000184570 [0,1,0,1,0,0|2,0,0]=4 10525 B10R1.136 CSCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000184570 [0,1,0,1,0,0|2,0,0]=4 10526 B10R1.136 CSCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000184570 [0,1,0,1,0,0|2,0,0]=4 10527 B10R1.136 CSCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000184570 [0,1,0,1,0,0|2,0,0]=4 10528 B10R1.136 O=C(CCO)N[C@@H]1C[C@@H]1F 240690a_100015190264_100011216618 [0,1,0,1,0,0|2,0,0]=4 10529 B10R1.136 O=C(CCO)N[C@@H]1C[C@H]1F 240690a_100025746932_100011216618 [0,1,0,1,0,0|2,0,0]=4 10530 B10R1.137 CCCC(=O)C=C1CCC1 1458a_100000686340_100000210303 [0,1,0,1,0,0|1,0,0]=3 10531 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,1,0,1,0,0|1,0,0]=3 10532 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,1,0,1,0,0|1,0,0]=3 10533 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [0,1,0,1,0,0|1,0,0]=3 10534 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [0,1,0,1,0,0|1,0,0]=3 10535 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [0,1,0,1,0,0|1,0,0]=3 10536 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [0,1,0,1,0,0|1,0,0]=3 10537 B10R1.137 CCCC(=O)NC1CCC1 11a_100000749019_100000211992 [0,1,0,1,0,0|1,0,0]=3 10538 B10R1.137 CCCC(=O)NC1CCC1 1626a_100000749019_100000211992 [0,1,0,1,0,0|1,0,0]=3 10539 B10R1.137 CCCC(=O)NC1CCC1 240690a_100000749019_100000211992 [0,1,0,1,0,0|1,0,0]=3 10540 B10R1.137 CCCC(=O)NC1CCC1 527a_100000749019_100000211992 [0,1,0,1,0,0|1,0,0]=3 10541 B10R1.137 CCCC(=O)NC1COC1 11a_100016991112_100000211992 [0,1,0,1,0,0|1,0,0]=3 10542 B10R1.137 CCCC(=O)NC1COC1 1626a_100016991112_100000211992 [0,1,0,1,0,0|1,0,0]=3 10543 B10R1.137 CCCC(=O)NC1COC1 240690a_100016991112_100000211992 [0,1,0,1,0,0|1,0,0]=3 10544 B10R1.137 CCCC(=O)NC1COC1 527a_100016991112_100000211992 [0,1,0,1,0,0|1,0,0]=3 10545 B10R1.137 CCCC(=O)NC1CSC1 11a_100016994217_100000211992 [0,1,0,1,0,0|1,0,0]=3 10546 B10R1.137 CCCC(=O)NC1CSC1 1626a_100016994217_100000211992 [0,1,0,1,0,0|1,0,0]=3 10547 B10R1.137 CCCC(=O)NC1CSC1 240690a_100016994217_100000211992 [0,1,0,1,0,0|1,0,0]=3 10548 B10R1.137 CCCC(=O)NC1CSC1 527a_100016994217_100000211992 [0,1,0,1,0,0|1,0,0]=3 10549 B10R1.137 CCCC(C)OC1CCC1 34a_100000748187_100000766640 [0,1,0,1,0,0|1,0,1]=4 10550 B10R1.137 CCCC(C)OC1CCC1 34a_100000764384_100000749161 [0,1,0,1,0,0|1,0,1]=4 10551 B10R1.137 CCCC(C)OC1COC1 34a_100000764384_100009818527 [0,1,0,1,0,0|1,0,1]=4 10552 B10R1.137 CCCC(C)OC1COC1 7a_100000764384_100009818527 [0,1,0,1,0,0|1,0,1]=4 10553 B10R1.137 CCCC(C)OC1CSC1 7a_100000072292_100000766640 [0,1,0,1,0,0|1,0,1]=4 10554 B10R1.137 CCNC(=O)C=C1CCC1 11a_100015525214_100000686340 [0,1,0,1,0,0|2,0,0]=4 10555 B10R1.137 CCNC(=O)C=C1CCC1 240690a_100015525214_100000686340 [0,1,0,1,0,0|2,0,0]=4 10556 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,1,0,1,0,0|2,0,0]=4 10557 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,1,0,1,0,0|2,0,0]=4 10558 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,1,0,1,0,0|2,0,0]=4 10559 B10R1.137 CCNC(=O)CC1COC1 11a_100015525214_100000687760 [0,1,0,1,0,0|2,0,0]=4 10560 B10R1.137 CCNC(=O)CN1CCC1 269982a_100000754969_100000183381 [0,1,0,1,0,0|2,0,0]=4 10561 B10R1.137 CCNC(=O)NC1CCC1 2708a_100015525214_100000749019 [0,1,0,1,0,0|2,0,0]=4 10562 B10R1.137 CCNC(=O)NC1CCC1 273464a_100000749019_100015525214 [0,1,0,1,0,0|2,0,0]=4 10563 B10R1.137 CCNC(=O)NC1CCC1 273464a_100015525214_100000749019 [0,1,0,1,0,0|2,0,0]=4 10564 B10R1.137 CCNC(=O)NC1CCC1 512a_100000749019_100015525214 [0,1,0,1,0,0|2,0,0]=4 10565 B10R1.137 CCNC(=O)NC1CCC1 512a_100015525214_100000749019 [0,1,0,1,0,0|2,0,0]=4 10566 B10R1.137 CCNC(=O)NC1COC1 2708a_100015525214_100016991112 [0,1,0,1,0,0|2,0,0]=4 10567 B10R1.137 CCNC(=O)NC1COC1 2708a_100016991112_100015525214 [0,1,0,1,0,0|2,0,0]=4 10568 B10R1.137 CCNC(=O)NC1COC1 273464a_100015525214_100016991112 [0,1,0,1,0,0|2,0,0]=4 10569 B10R1.137 CCNC(=O)NC1COC1 273464a_100016991112_100015525214 [0,1,0,1,0,0|2,0,0]=4 10570 B10R1.137 CCNC(=O)NC1COC1 512a_100015525214_100016991112 [0,1,0,1,0,0|2,0,0]=4 10571 B10R1.137 CCNC(=O)NC1COC1 512a_100016991112_100015525214 [0,1,0,1,0,0|2,0,0]=4 10572 B10R1.137 CCNC(=O)NC1CSC1 2708a_100015525214_100016994217 [0,1,0,1,0,0|2,0,0]=4 10573 B10R1.137 CCNC(=O)NC1CSC1 2708a_100016994217_100015525214 [0,1,0,1,0,0|2,0,0]=4 10574 B10R1.137 CCNC(=O)NC1CSC1 273464a_100015525214_100016994217 [0,1,0,1,0,0|2,0,0]=4 10575 B10R1.137 CCNC(=O)NC1CSC1 273464a_100016994217_100015525214 [0,1,0,1,0,0|2,0,0]=4 10576 B10R1.137 CCNC(=O)NC1CSC1 512a_100015525214_100016994217 [0,1,0,1,0,0|2,0,0]=4 10577 B10R1.137 CCNC(=O)NC1CSC1 512a_100016994217_100015525214 [0,1,0,1,0,0|2,0,0]=4 10578 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [0,1,0,1,0,0|2,0,0]=4 10579 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [0,1,0,1,0,0|2,0,0]=4 10580 B10R1.137 COCC(=O)CC1CCO1 1458a_100000210968_100000103362 [0,1,0,1,0,0|2,0,0]=4 10581 B10R1.137 COCC(=O)CC1COC1 1458a_100000210968_100010264016 [0,1,0,1,0,0|2,0,0]=4 10582 B10R1.137 COCC(=O)NC1CCC1 11a_100000749019_100000210968 [0,1,0,1,0,0|2,0,0]=4 10583 B10R1.137 COCC(=O)NC1CCC1 1626a_100000749019_100000210968 [0,1,0,1,0,0|2,0,0]=4 10584 B10R1.137 COCC(=O)NC1CCC1 240690a_100000749019_100000210968 [0,1,0,1,0,0|2,0,0]=4 10585 B10R1.137 COCC(=O)NC1CCC1 527a_100000749019_100000210968 [0,1,0,1,0,0|2,0,0]=4 10586 B10R1.137 COCC(=O)NC1COC1 11a_100016991112_100000210968 [0,1,0,1,0,0|2,0,0]=4 10587 B10R1.137 COCC(=O)NC1COC1 1626a_100016991112_100000210968 [0,1,0,1,0,0|2,0,0]=4 10588 B10R1.137 COCC(=O)NC1COC1 240690a_100016991112_100000210968 [0,1,0,1,0,0|2,0,0]=4 10589 B10R1.137 COCC(=O)NC1COC1 527a_100016991112_100000210968 [0,1,0,1,0,0|2,0,0]=4 10590 B10R1.137 COCC(=O)NC1CSC1 11a_100016994217_100000210968 [0,1,0,1,0,0|2,0,0]=4 10591 B10R1.137 COCC(=O)NC1CSC1 1626a_100016994217_100000210968 [0,1,0,1,0,0|2,0,0]=4 10592 B10R1.137 COCC(=O)NC1CSC1 240690a_100016994217_100000210968 [0,1,0,1,0,0|2,0,0]=4 10593 B10R1.137 COCC(=O)NC1CSC1 527a_100016994217_100000210968 [0,1,0,1,0,0|2,0,0]=4 10594 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [0,1,0,1,0,0|2,0,0]=4 10595 B10R1.137 CSCC(=O)CC1CCO1 1458a_100000184570_100000103362 [0,1,0,1,0,0|2,0,0]=4 10596 B10R1.137 CSCC(=O)CC1COC1 1458a_100000184570_100010264016 [0,1,0,1,0,0|2,0,0]=4 10597 B10R1.137 CSCC(=O)NC1CCC1 11a_100000749019_100000184570 [0,1,0,1,0,0|2,0,0]=4 10598 B10R1.137 CSCC(=O)NC1CCC1 1626a_100000749019_100000184570 [0,1,0,1,0,0|2,0,0]=4 10599 B10R1.137 CSCC(=O)NC1CCC1 240690a_100000749019_100000184570 [0,1,0,1,0,0|2,0,0]=4 10600 B10R1.137 CSCC(=O)NC1CCC1 527a_100000749019_100000184570 [0,1,0,1,0,0|2,0,0]=4 10601 B10R1.137 CSCC(=O)NC1COC1 11a_100016991112_100000184570 [0,1,0,1,0,0|2,0,0]=4 10602 B10R1.137 CSCC(=O)NC1COC1 1626a_100016991112_100000184570 [0,1,0,1,0,0|2,0,0]=4 10603 B10R1.137 CSCC(=O)NC1COC1 240690a_100016991112_100000184570 [0,1,0,1,0,0|2,0,0]=4 10604 B10R1.137 CSCC(=O)NC1COC1 527a_100016991112_100000184570 [0,1,0,1,0,0|2,0,0]=4 10605 B10R1.137 CSCC(=O)NC1CSC1 11a_100016994217_100000184570 [0,1,0,1,0,0|2,0,0]=4 10606 B10R1.137 CSCC(=O)NC1CSC1 1626a_100016994217_100000184570 [0,1,0,1,0,0|2,0,0]=4 10607 B10R1.137 CSCC(=O)NC1CSC1 240690a_100016994217_100000184570 [0,1,0,1,0,0|2,0,0]=4 10608 B10R1.137 CSCC(=O)NC1CSC1 527a_100016994217_100000184570 [0,1,0,1,0,0|2,0,0]=4 10609 B10R1.137 O=C(C=C1CCC1)CCF 1458a_100000686340_100011217306 [0,1,0,1,0,0|2,0,0]=4 10610 B10R1.137 O=C(C=C1CCC1)CCO 1458a_100000686340_100000211926 [0,1,0,1,0,0|2,0,0]=4 10611 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [0,1,0,1,0,0|2,0,0]=4 10612 B10R1.137 O=C(CCF)CC1COC1 1458a_100000687760_100011217306 [0,1,0,1,0,0|2,0,0]=4 10613 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [0,1,0,1,0,0|2,0,0]=4 10614 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [0,1,0,1,0,0|2,0,0]=4 10615 B10R1.137 O=C(CCO)CC1CCO1 1458a_100011216618_100000103362 [0,1,0,1,0,0|2,0,0]=4 10616 B10R1.137 O=C(CCO)CC1COC1 1458a_100000687760_100000211926 [0,1,0,1,0,0|2,0,0]=4 10617 B10R1.137 O=C(CCO)CC1COC1 1458a_100011216618_100010264016 [0,1,0,1,0,0|2,0,0]=4 10618 B10R1.137 O=C(CCO)NC1CCC1 240690a_100000749019_100011216618 [0,1,0,1,0,0|2,0,0]=4 10619 B10R1.137 O=C(CCO)NC1COC1 240690a_100016991112_100011216618 [0,1,0,1,0,0|2,0,0]=4 10620 B10R1.137 O=C(CCO)NC1CSC1 240690a_100016994217_100011216618 [0,1,0,1,0,0|2,0,0]=4 10621 B10R1.138 CCCC(=NNC1CC1)C 4a_100000701032_100000211909 [0,1,0,1,0,0|2,0,0]=4 10622 B10R1.138 CCCC(=O)C=CC1CC1 1458a_100102529529_100000210303 [0,1,0,1,0,0|1,0,0]=3 10623 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,1,0,1,0,0|1,0,0]=3 10624 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,1,0,1,0,0|1,0,0]=3 10625 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [0,1,0,1,0,0|1,0,0]=3 10626 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [0,1,0,1,0,0|0,1,0]=3 10627 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [0,1,0,1,0,0|1,0,0]=3 10628 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [0,1,0,1,0,0|1,0,0]=3 10629 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [0,1,0,1,0,0|1,0,0]=3 10630 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [0,1,0,1,0,0|1,0,0]=3 10631 B10R1.138 CCCC(=O)NNC1CC1 22a_100000701032_100000211992 [0,1,0,1,0,0|1,0,0]=3 10632 B10R1.138 CCCC(C)COC1CC1 34a_100000688023_100000211595 [0,1,0,1,0,0|1,0,1]=4 10633 B10R1.138 CCCC(C)OCC1CC1 34a_100000211283_100000766640 [0,1,0,1,0,0|1,0,1]=4 10634 B10R1.138 CCCC(C)OCC1CC1 34a_100000764384_100000742324 [0,1,0,1,0,0|1,0,1]=4 10635 B10R1.138 CCCC(C)OCC1CC1 7a_100000764384_100000742324 [0,1,0,1,0,0|1,0,1]=4 10636 B10R1.138 CCCC(C)OCC1CO1 34a_100000764384_102125554688 [0,1,0,1,0,0|1,0,1]=4 10637 B10R1.138 CCCC(C)OCC1CO1 7a_100000764384_102125554688 [0,1,0,1,0,0|1,0,1]=4 10638 B10R1.138 CCCC(C)OCC1CS1 7a_100000764384_100000031435 [0,1,0,1,0,0|1,0,1]=4 10639 B10R1.138 CCCC(C)OC[C@@H]1CO1 34a_100000757423_100000766640 [0,1,0,1,0,0|1,0,1]=4 10640 B10R1.138 CCCC(C)OC[C@@H]1CO1 7a_100000764384_100000745022 [0,1,0,1,0,0|1,0,1]=4 10641 B10R1.138 CCC[C@H](N)COC1CC1 34a_100000732646_100000211595 [0,1,0,1,0,0|1,0,1]=4 10642 B10R1.138 CCNC(=O)C=CC1CC1 11a_100015525214_100102529529 [0,1,0,1,0,0|2,0,0]=4 10643 B10R1.138 CCNC(=O)C=CC1CC1 240690a_100015525214_100102529529 [0,1,0,1,0,0|2,0,0]=4 10644 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,1,0,1,0,0|2,0,0]=4 10645 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,1,0,1,0,0|2,0,0]=4 10646 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,1,0,1,0,0|2,0,0]=4 10647 B10R1.138 CCNC(=O)CNC1CC1 34a_100000212008_100000183381 [0,1,0,1,0,0|2,0,0]=4 10648 B10R1.138 CCNC(=O)CSC1CC1 62a_100000183381_100000211595 [0,1,0,1,0,0|1,1,0]=4 10649 B10R1.138 CCNC(=O)NCC1CC1 2708a_100000735609_100015525214 [0,1,0,1,0,0|2,0,0]=4 10650 B10R1.138 CCNC(=O)NCC1CC1 2708a_100015525214_100000735609 [0,1,0,1,0,0|2,0,0]=4 10651 B10R1.138 CCNC(=O)NCC1CC1 273464a_100000735609_100015525214 [0,1,0,1,0,0|2,0,0]=4 10652 B10R1.138 CCNC(=O)NCC1CC1 273464a_100015525214_100000735609 [0,1,0,1,0,0|2,0,0]=4 10653 B10R1.138 CCNC(=O)NCC1CC1 512a_100000735609_100015525214 [0,1,0,1,0,0|2,0,0]=4 10654 B10R1.138 CCNC(=O)NCC1CC1 512a_100015525214_100000735609 [0,1,0,1,0,0|2,0,0]=4 10655 B10R1.138 CCNC(=O)NNC1CC1 273464a_100015525214_100000701032 [0,1,0,1,0,0|2,0,0]=4 10656 B10R1.138 CCNC(=O)NNC1CC1 512a_100000701032_100015525214 [0,1,0,1,0,0|2,0,0]=4 10657 B10R1.138 CCNC(=O)NNC1CC1 512a_100015525214_100000701032 [0,1,0,1,0,0|2,0,0]=4 10658 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [0,1,0,1,0,0|2,0,0]=4 10659 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [0,1,0,1,0,0|1,1,0]=4 10660 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [0,1,0,1,0,0|2,0,0]=4 10661 B10R1.138 COCC(=O)CCC1CO1 1458a_100000210968_100000732470 [0,1,0,1,0,0|2,0,0]=4 10662 B10R1.138 COCC(=O)NCC1CC1 11a_100000735609_100000210968 [0,1,0,1,0,0|2,0,0]=4 10663 B10R1.138 COCC(=O)NCC1CC1 1626a_100000735609_100000210968 [0,1,0,1,0,0|2,0,0]=4 10664 B10R1.138 COCC(=O)NCC1CC1 240690a_100000735609_100000210968 [0,1,0,1,0,0|2,0,0]=4 10665 B10R1.138 COCC(=O)NCC1CC1 527a_100000735609_100000210968 [0,1,0,1,0,0|2,0,0]=4 10666 B10R1.138 COCC(=O)NNC1CC1 22a_100000701032_100000210968 [0,1,0,1,0,0|2,0,0]=4 10667 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [0,1,0,1,0,0|2,0,0]=4 10668 B10R1.138 CSCC(=O)CCC1CO1 1458a_100000184570_100000732470 [0,1,0,1,0,0|2,0,0]=4 10669 B10R1.138 CSCC(=O)NCC1CC1 11a_100000735609_100000184570 [0,1,0,1,0,0|2,0,0]=4 10670 B10R1.138 CSCC(=O)NCC1CC1 1626a_100000735609_100000184570 [0,1,0,1,0,0|2,0,0]=4 10671 B10R1.138 CSCC(=O)NCC1CC1 240690a_100000735609_100000184570 [0,1,0,1,0,0|2,0,0]=4 10672 B10R1.138 CSCC(=O)NCC1CC1 527a_100000735609_100000184570 [0,1,0,1,0,0|2,0,0]=4 10673 B10R1.138 CSCC(=O)NNC1CC1 22a_100000701032_100000184570 [0,1,0,1,0,0|2,0,0]=4 10674 B10R1.138 O=C(C=CC1CC1)CCF 1458a_100102529529_100011217306 [0,1,0,1,0,0|2,0,0]=4 10675 B10R1.138 O=C(C=CC1CC1)CCO 1458a_100102529529_100000211926 [0,1,0,1,0,0|2,0,0]=4 10676 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [0,1,0,1,0,0|2,0,0]=4 10677 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [0,1,0,1,0,0|2,0,0]=4 10678 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [0,1,0,1,0,0|2,0,0]=4 10679 B10R1.138 O=C(CCO)CCC1CO1 1458a_100011216618_100000732470 [0,1,0,1,0,0|2,0,0]=4 10680 B10R1.138 O=C(CCO)NCC1CC1 240690a_100000735609_100011216618 [0,1,0,1,0,0|2,0,0]=4 10681 B10R1.138 O=C(CCO)NNC1CC1 22a_100000701032_100011216618 [0,1,0,1,0,0|2,0,0]=4 10682 B10R1.139 CC1CCN1C(=O)CCO 240690a_100000755817_100011216618 [0,1,0,1,0,0|2,0,0]=4 10683 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,1,0,1,0,0|1,0,1]=4 10684 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [0,1,0,1,0,0|1,0,0]=3 10685 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [0,1,0,1,0,0|1,0,0]=3 10686 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [0,1,0,1,0,0|1,0,0]=3 10687 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [0,1,0,1,0,0|2,0,0]=4 10688 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [0,1,0,1,0,0|2,0,0]=4 10689 B10R1.139 COCC(=O)N1CCC1C 11a_100000755817_100000210968 [0,1,0,1,0,0|2,0,0]=4 10690 B10R1.139 COCC(=O)N1CCC1C 240690a_100000755817_100000210968 [0,1,0,1,0,0|2,0,0]=4 10691 B10R1.139 COCC(=O)N1CCC1C 527a_100000755817_100000210968 [0,1,0,1,0,0|2,0,0]=4 10692 B10R1.139 CSCC(=O)N1CCC1C 11a_100000755817_100000184570 [0,1,0,1,0,0|2,0,0]=4 10693 B10R1.139 CSCC(=O)N1CCC1C 240690a_100000755817_100000184570 [0,1,0,1,0,0|2,0,0]=4 10694 B10R1.139 CSCC(=O)N1CCC1C 527a_100000755817_100000184570 [0,1,0,1,0,0|2,0,0]=4 10695 B10R1.186 C#CCCCC(=O)C1CC1 1458a_100000210395_100000731252 [0,1,0,1,0,0|1,0,1]=4 10696 B10R1.186 C#CCCNC(=O)C1CC1 11a_100000755551_100000210395 [0,1,0,1,0,0|1,0,1]=4 10697 B10R1.186 C#CCCNC(=O)C1CC1 1626a_100000755551_100000210395 [0,1,0,1,0,0|1,0,1]=4 10698 B10R1.186 C#CCCNC(=O)C1CC1 240690a_100000755551_100000210395 [0,1,0,1,0,0|1,0,1]=4 10699 B10R1.186 C#CCCNC(=O)C1CC1 527a_100000755551_100000210395 [0,1,0,1,0,0|1,0,1]=4 10700 B10R1.186 C#CCOCC(=O)C1CC1 34a_100000210247_100000746382 [0,1,0,1,0,0|0,0,2]=4 10701 B10R1.186 C#CCOCC(=O)C1CC1 34a_100000686663_100000184674 [0,1,0,1,0,0|0,0,2]=4 10702 B10R1.186 C=CCCCC(=O)C1CC1 1458a_100000210395_100000757094 [0,1,0,1,0,0|1,0,1]=4 10703 B10R1.186 C=CCCNC(=O)C1CC1 11a_100015191253_100000210395 [0,1,0,1,0,0|1,0,1]=4 10704 B10R1.186 C=CCCNC(=O)C1CC1 1626a_100015191253_100000210395 [0,1,0,1,0,0|1,0,1]=4 10705 B10R1.186 C=CCCNC(=O)C1CC1 240690a_100015191253_100000210395 [0,1,0,1,0,0|1,0,1]=4 10706 B10R1.186 C=CCCNC(=O)C1CC1 527a_100015191253_100000210395 [0,1,0,1,0,0|1,0,1]=4 10707 B10R1.186 C=CCOCC(=O)C1CC1 34a_100000686663_100015514636 [0,1,0,1,0,0|0,0,2]=4 10708 B10R1.186 C=CCOCC(=O)C1CC1 34a_200000210373_100000746382 [0,1,0,1,0,0|0,0,2]=4 10709 B10R1.186 CC#CCNC(=O)C1CC1 11a_100000685387_100000210395 [0,1,0,1,0,0|1,0,1]=4 10710 B10R1.186 CC#CCNC(=O)C1CC1 1626a_100000685387_100000210395 [0,1,0,1,0,0|1,0,1]=4 10711 B10R1.186 CC#CCNC(=O)C1CC1 527a_100000685387_100000210395 [0,1,0,1,0,0|1,0,1]=4 10712 B10R1.186 CC(OCCCF)C1CC1 34a_100000744524_100011934791 [0,1,0,1,0,0|1,0,1]=4 10713 B10R1.186 CC(OCCCF)C1CC1 7a_100000744524_100011934791 [0,1,0,1,0,0|1,0,1]=4 10714 B10R1.186 CC(OCCCO)C1CC1 34a_100000744524_100000230001 [0,1,0,1,0,0|1,0,1]=4 10715 B10R1.186 CC(OCCCO)C1CC1 7a_100000744524_100011215043 [0,1,0,1,0,0|1,0,1]=4 10716 B10R1.186 CC/C=C\CC(=O)C1CC1 1458a_100000210395_100103147603 [0,1,0,1,0,0|1,0,1]=4 10717 B10R1.186 CCC#CCC(=O)C1CC1 1458a_100000210395_100009813939 [0,1,0,1,0,0|1,0,1]=4 10718 B10R1.186 CCC=NNC(=O)C1CC1 4a_100000183419_100000210100 [0,1,0,1,0,0|1,0,1]=4 10719 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,1,0,1,0,0|1,0,0]=3 10720 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,1,0,1,0,0|2,0,0]=4 10721 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [0,1,0,1,0,0|1,0,0]=3 10722 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [0,1,0,1,0,0|1,0,0]=3 10723 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [0,1,0,1,0,0|1,0,0]=3 10724 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [0,1,0,1,0,0|1,0,0]=3 10725 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [0,1,0,1,0,0|2,0,0]=4 10726 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [0,1,0,1,0,0|2,0,0]=4 10727 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [0,1,0,1,0,0|2,0,0]=4 10728 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [0,1,0,1,0,0|2,0,0]=4 10729 B10R1.186 CCCCOC(C)C1CC1 34a_100000744524_100000210210 [0,1,0,1,0,0|1,0,1]=4 10730 B10R1.186 CCCCOC(C)C1CC1 7a_100000744524_100000210211 [0,1,0,1,0,0|1,0,1]=4 10731 B10R1.186 CCCNN=C(C)C1CC1 4a_100000740057_100000210639 [0,1,0,1,0,0|2,0,0]=4 10732 B10R1.186 CCCNNC(=O)C1CC1 22a_100000740057_100000210395 [0,1,0,1,0,0|1,0,0]=3 10733 B10R1.186 CCCNNC(=O)C1CO1 22a_100000740057_100000701028 [0,1,0,1,0,0|2,0,0]=4 10734 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [0,1,0,1,0,0|0,0,0]=2 10735 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [0,1,0,1,0,0|0,0,0]=2 10736 B10R1.186 CCCOC[C@H](N)C1CC1 34a_100020623730_100000210303 [0,1,0,1,0,0|1,0,1]=4 10737 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [0,1,0,1,0,0|0,1,0]=3 10738 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [0,1,0,1,0,0|0,1,0]=3 10739 B10R1.186 CCNCOC(=O)C1CC1 2230a_100015525214_100000140896 [0,1,0,1,0,0|0,0,0]=2 10740 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [0,1,0,1,0,0|1,0,0]=3 10741 B10R1.186 CCOCCC(=O)C1CO1 1458a_100000701028_100011215890 [0,1,0,1,0,0|2,0,0]=4 10742 B10R1.186 CCOCOC(=O)C1CC1 34a_100121572206_100000140896 [0,1,0,1,0,0|0,0,0]=2 10743 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [0,1,0,1,0,0|1,0,0]=3 10744 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [0,1,0,1,0,0|2,0,0]=4 10745 B10R1.186 CCSCOC(=O)C1CC1 62a_100000140896_100000210202 [0,1,0,1,0,0|0,0,0]=2 10746 B10R1.186 CCSCOC(=O)C1CC1 62a_100000210202_100000140896 [0,1,0,1,0,0|0,0,0]=2 10747 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [0,1,0,1,0,0|1,0,0]=3 10748 B10R1.186 COCCCC(=O)C1CO1 1458a_100000701028_100000740836 [0,1,0,1,0,0|2,0,0]=4 10749 B10R1.186 COCCNC(=O)C1CC1 1626a_100000209980_100000210395 [0,1,0,1,0,0|1,0,0]=3 10750 B10R1.186 COCCNC(=O)C1CC1 240690a_100000209980_100000210395 [0,1,0,1,0,0|1,0,0]=3 10751 B10R1.186 COCCNC(=O)C1CC1 527a_100000209980_100000210395 [0,1,0,1,0,0|1,0,0]=3 10752 B10R1.186 COCCNC(=O)C1CO1 1626a_100000209980_100000701028 [0,1,0,1,0,0|2,0,0]=4 10753 B10R1.186 COCCNC(=O)C1CO1 240690a_100000209980_100000701028 [0,1,0,1,0,0|2,0,0]=4 10754 B10R1.186 COCCNC(=O)C1CO1 527a_100000209980_100000701028 [0,1,0,1,0,0|2,0,0]=4 10755 B10R1.186 COCCOC(C)C1CC1 34a_100000744524_100011201679 [0,1,0,1,0,0|1,0,1]=4 10756 B10R1.186 COCCOC(C)C1CC1 7a_100000744524_100000233755 [0,1,0,1,0,0|1,0,1]=4 10757 B10R1.186 COCSCC(=O)C1CC1 62a_100000746382_100000766300 [0,1,0,1,0,0|1,1,0]=4 10758 B10R1.186 COCSCC(=O)C1CC1 62a_100000766300_100000746382 [0,1,0,1,0,0|1,1,0]=4 10759 B10R1.186 CSCCNC(=O)C1CC1 11a_100020590264_100000210395 [0,1,0,1,0,0|1,0,0]=3 10760 B10R1.186 CSCCNC(=O)C1CC1 1626a_100020590264_100000210395 [0,1,0,1,0,0|1,0,0]=3 10761 B10R1.186 CSCCNC(=O)C1CC1 240690a_100020590264_100000210395 [0,1,0,1,0,0|1,0,0]=3 10762 B10R1.186 CSCCNC(=O)C1CC1 527a_100020590264_100000210395 [0,1,0,1,0,0|1,0,0]=3 10763 B10R1.186 CSCCNC(=O)C1CO1 11a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 10764 B10R1.186 CSCCNC(=O)C1CO1 1626a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 10765 B10R1.186 CSCCNC(=O)C1CO1 240690a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 10766 B10R1.186 CSCCNC(=O)C1CO1 527a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 10767 B10R1.186 CSCCOC(C)C1CC1 34a_100000744524_100000212216 [0,1,0,1,0,0|1,0,1]=4 10768 B10R1.186 CSCCOC(C)C1CC1 7a_100000744524_100000212216 [0,1,0,1,0,0|1,0,1]=4 10769 B10R1.186 CSCOCC(=O)C1CC1 34a_100000686663_100011218213 [0,1,0,1,0,0|1,0,0]=3 10770 B10R1.186 CSCSCC(=O)C1CC1 62a_100000746382_100011218213 [0,1,0,1,0,0|1,1,0]=4 10771 B10R1.186 CSCSCC(=O)C1CC1 62a_100011218213_100000746382 [0,1,0,1,0,0|1,1,0]=4 10772 B10R1.186 N#CCCCC(=O)C1CC1 1458a_100000210395_100000211468 [0,1,0,1,0,0|1,0,1]=4 10773 B10R1.186 N#CCCNC(=O)C1CC1 11a_100000720768_100000210395 [0,1,0,1,0,0|1,0,1]=4 10774 B10R1.186 N#CCCNC(=O)C1CC1 1626a_100000720768_100000210395 [0,1,0,1,0,0|1,0,1]=4 10775 B10R1.186 N#CCCNC(=O)C1CC1 240690a_100000720768_100000210395 [0,1,0,1,0,0|1,0,1]=4 10776 B10R1.186 N#CCCNC(=O)C1CC1 527a_100000720768_100000210395 [0,1,0,1,0,0|1,0,1]=4 10777 B10R1.186 NCCOCC(=O)C1CC1 34a_100000210304_100000746382 [0,1,0,1,0,0|1,0,0]=3 10778 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [0,1,0,1,0,0|1,0,0]=3 10779 B10R1.186 O=C(CCCCF)C1CO1 1458a_100000701028_100000729493 [0,1,0,1,0,0|2,0,0]=4 10780 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [0,1,0,1,0,0|1,0,0]=3 10781 B10R1.186 O=C(CCCCO)C1CO1 1458a_100000701028_100000210776 [0,1,0,1,0,0|2,0,0]=4 10782 B10R1.186 O=C(CNCCF)C1CC1 34a_100000724931_100000746382 [0,1,0,1,0,0|2,0,0]=4 10783 B10R1.186 O=C(CNCCO)C1CC1 2230a_100016997473_100000746382 [0,1,0,1,0,0|2,0,0]=4 10784 B10R1.186 O=C(CNCCO)C1CC1 34a_100016990907_100000746382 [0,1,0,1,0,0|2,0,0]=4 10785 B10R1.186 O=C(COCCBr)C1CC1 34a_100000211926_100000746382 [0,1,0,1,0,0|1,0,0]=3 10786 B10R1.186 O=C(COCCF)C1CC1 34a_100000686663_100011217306 [0,1,0,1,0,0|1,0,0]=3 10787 B10R1.186 O=C(COCCO)C1CC1 34a_100000686663_100000211926 [0,1,0,1,0,0|1,0,0]=3 10788 B10R1.186 O=C(CSCCF)C1CC1 62a_100000746382_100011217306 [0,1,0,1,0,0|1,1,0]=4 10789 B10R1.186 O=C(CSCCF)C1CC1 62a_100011217306_100000746382 [0,1,0,1,0,0|1,1,0]=4 10790 B10R1.186 O=C(CSCCO)C1CC1 62a_100000211926_100000746382 [0,1,0,1,0,0|1,1,0]=4 10791 B10R1.186 O=C(CSCCO)C1CC1 62a_100000746382_100000211926 [0,1,0,1,0,0|1,1,0]=4 10792 B10R1.186 O=C(NCCCF)C1CC1 11a_100015189416_100000210395 [0,1,0,1,0,0|1,0,0]=3 10793 B10R1.186 O=C(NCCCF)C1CC1 1626a_100015189416_100000210395 [0,1,0,1,0,0|1,0,0]=3 10794 B10R1.186 O=C(NCCCF)C1CC1 240690a_100015189416_100000210395 [0,1,0,1,0,0|1,0,0]=3 10795 B10R1.186 O=C(NCCCF)C1CC1 527a_100015189416_100000210395 [0,1,0,1,0,0|1,0,0]=3 10796 B10R1.186 O=C(NCCCF)C1CO1 11a_100015189416_100000701028 [0,1,0,1,0,0|2,0,0]=4 10797 B10R1.186 O=C(NCCCF)C1CO1 1626a_100015189416_100000701028 [0,1,0,1,0,0|2,0,0]=4 10798 B10R1.186 O=C(NCCCF)C1CO1 240690a_100015189416_100000701028 [0,1,0,1,0,0|2,0,0]=4 10799 B10R1.186 O=C(NCCCF)C1CO1 527a_100015189416_100000701028 [0,1,0,1,0,0|2,0,0]=4 10800 B10R1.186 O=C(NCCCO)C1CC1 240690a_100000182051_100000210395 [0,1,0,1,0,0|1,0,0]=3 10801 B10R1.186 O=C(NCCCO)C1CC1 527a_100000182051_100000210395 [0,1,0,1,0,0|1,0,0]=3 10802 B10R1.186 O=C(NCCCO)C1CO1 240690a_100000182051_100000701028 [0,1,0,1,0,0|2,0,0]=4 10803 B10R1.186 O=C(NCCCO)C1CO1 527a_100000182051_100000701028 [0,1,0,1,0,0|2,0,0]=4 10804 B10R1.186 O=C(NNCCO)C1CC1 22a_100000210001_100000210395 [0,1,0,1,0,0|2,0,0]=4 10805 B10R1.186 O=C(OCSCF)C1CC1 62a_100000140896_100015361967 [0,1,0,1,0,0|1,0,0]=3 10806 B10R1.186 O=C(OCSCF)C1CC1 62a_100015361967_100000140896 [0,1,0,1,0,0|1,0,0]=3 10807 B10R1.186 O=CCOCC(=O)C1CC1 34a_100000686663_200009817547 [0,1,0,1,0,0|1,0,1]=4 10808 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [0,1,0,1,0,0|2,0,0]=4 10809 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [0,1,0,1,0,0|2,0,0]=4 10810 B10R1.245 CCC1C(=O)NCCN1C 2230a_100000187962_200000210301 [0,1,0,1,0,0|1,0,0]=3 10811 B10R1.245 CCC1C(=O)NCCN1C 269982a_100000187962_200000210301 [0,1,0,1,0,0|1,0,0]=3 10812 B10R1.245 CCC1C(=O)NCCN1C 34a_100000187962_200000210301 [0,1,0,1,0,0|1,0,0]=3 10813 B10R1.245 CCC1C(=O)NCCN1[13CH3] 2230a_100000187962_200025704644 [0,1,0,1,0,0|1,0,0]=3 10814 B10R1.245 CCC1C(=O)NCCN1[13CH3] 269982a_100000187962_200025704644 [0,1,0,1,0,0|1,0,0]=3 10815 B10R1.245 CCC1C(=O)NCCN1[13CH3] 34a_100000187962_200025704644 [0,1,0,1,0,0|1,0,0]=3 10816 B10R1.277 CN1CCCN(C(=O)C1)C 2230a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 10817 B10R1.277 CN1CCCN(C(=O)C1)C 269982a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 10818 B10R1.277 CN1CCCN(C(=O)C1)C 34a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 10819 B10R1.277 CN1CCCN(CC1=O)[13CH3] 2230a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 10820 B10R1.277 CN1CCCN(CC1=O)[13CH3] 269982a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 10821 B10R1.277 CN1CCCN(CC1=O)[13CH3] 34a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 10822 B10R1.376 CC1(CCC1)OCCCF 34a_100000759064_100011934791 [0,1,0,1,0,0|1,0,1]=4 10823 B10R1.376 CC1(CCC1)OCCCF 7a_100000759064_100011934791 [0,1,0,1,0,0|1,0,1]=4 10824 B10R1.376 CC1(CCC1)OCCCO 34a_100000759064_100000230001 [0,1,0,1,0,0|1,0,1]=4 10825 B10R1.376 CC1(CCC1)OCCCO 7a_100000759064_100011215043 [0,1,0,1,0,0|1,0,1]=4 10826 B10R1.376 CCCCOC1(CCC1)C 34a_100000759064_100000210210 [0,1,0,1,0,0|1,0,1]=4 10827 B10R1.376 CCCCOC1(CCC1)C 7a_100000759064_100000210211 [0,1,0,1,0,0|1,0,1]=4 10828 B10R1.376 CCCOCC1(CCC1)C 34a_100000210258_100000726658 [0,1,0,1,0,0|1,0,1]=4 10829 B10R1.376 COCCOC1(CCC1)C 34a_100000759064_100011201679 [0,1,0,1,0,0|1,0,1]=4 10830 B10R1.376 COCCOC1(CCC1)C 7a_100000759064_100000233755 [0,1,0,1,0,0|1,0,1]=4 10831 B10R1.376 CSCCOC1(CCC1)C 34a_100000759064_100000212216 [0,1,0,1,0,0|1,0,1]=4 10832 B10R1.376 CSCCOC1(CCC1)C 7a_100000759064_100000212216 [0,1,0,1,0,0|1,0,1]=4 10833 B10R1.15 CCC(=O)C1=CCCCO1 1458a_100000764163_100000210202 [0,1,0,1,0,0|1,0,1]=4 10834 B10R1.30 CCN1C[C@H](OC[C@H]1C)C 2230a_100016991869_100000210202 [0,1,0,1,0,0|1,0,1]=4 10835 B10R1.30 CCN1C[C@H](OC[C@H]1C)C 269982a_100016991869_100000204670 [0,1,0,1,0,0|1,0,1]=4 10836 B10R1.30 CCN1C[C@H](OC[C@H]1C)C 34a_100016991869_100000210202 [0,1,0,1,0,0|1,0,1]=4 10837 B10R1.178 C#CCCC(=O)C1CCC1 1458a_100000209988_100000753159 [0,1,0,1,0,0|1,0,1]=4 10838 B10R1.178 C#CCCC(=O)C1CCC1 1458a_100000692101_100000749161 [0,1,0,1,0,0|1,0,1]=4 10839 B10R1.178 C#CCCC(=O)N1CCC1 11a_100000754969_100000692101 [0,1,0,1,0,0|1,0,1]=4 10840 B10R1.178 C#CCCC(=O)N1CCC1 240690a_100000754969_100000692101 [0,1,0,1,0,0|1,0,1]=4 10841 B10R1.178 C#CCCC(=O)N1CCC1 527a_100000754969_100000692101 [0,1,0,1,0,0|1,0,1]=4 10842 B10R1.178 C/C=C/CC(=O)C1CCC1 1458a_100000209988_100102629194 [0,1,0,1,0,0|1,0,1]=4 10843 B10R1.178 C=CCCC(=O)C1CCC1 1458a_100000209988_100000754431 [0,1,0,1,0,0|1,0,1]=4 10844 B10R1.178 C=CCCC(=O)C1CCC1 1458a_100000749702_100000749161 [0,1,0,1,0,0|1,0,1]=4 10845 B10R1.178 C=CCCC(=O)N1CCC1 11a_100000754969_100000749702 [0,1,0,1,0,0|1,0,1]=4 10846 B10R1.178 C=CCCC(=O)N1CCC1 240690a_100000754969_100000749702 [0,1,0,1,0,0|1,0,1]=4 10847 B10R1.178 C=CCCC(=O)N1CCC1 527a_100000754969_100000749702 [0,1,0,1,0,0|1,0,1]=4 10848 B10R1.178 CC#CCC(=O)C1CCC1 1458a_100000209988_100000748600 [0,1,0,1,0,0|1,0,1]=4 10849 B10R1.178 CC=CCC(=O)C1CCC1 1458a_100000209988_100000070051 [0,1,0,1,0,0|1,0,1]=4 10850 B10R1.178 CC=CCC(=O)C1CCC1 1458a_100121576822_100000749161 [0,1,0,1,0,0|1,0,1]=4 10851 B10R1.178 CC=CCC(=O)N1CCC1 11a_100000754969_100121576822 [0,1,0,1,0,0|1,0,1]=4 10852 B10R1.178 CC=CCC(=O)N1CCC1 240690a_100000754969_100121576822 [0,1,0,1,0,0|1,0,1]=4 10853 B10R1.178 CC=CCC(=O)N1CCC1 527a_100000754969_100121576822 [0,1,0,1,0,0|1,0,1]=4 10854 B10R1.178 CCC#CC(=O)C1CCC1 1458a_100011827653_100000749161 [0,1,0,1,0,0|1,0,1]=4 10855 B10R1.178 CCC#CC(=O)C1COC1 1458a_100011827653_100000687716 [0,1,0,1,0,0|1,0,1]=4 10856 B10R1.178 CCC=CC(=O)C1CCC1 1458a_100000212282_100000749161 [0,1,0,1,0,0|1,0,1]=4 10857 B10R1.178 CCC=CC(=O)C1COC1 1458a_100000212282_100000687716 [0,1,0,1,0,0|1,0,1]=4 10858 B10R1.178 CCC=CC(=O)N1CCC1 11a_100000754969_100000212282 [0,1,0,1,0,0|1,0,1]=4 10859 B10R1.178 CCC=CC(=O)N1CCC1 240690a_100000754969_100000212282 [0,1,0,1,0,0|1,0,1]=4 10860 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000209988_100000210211 [0,1,0,1,0,0|1,0,0]=3 10861 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000210183_100000749161 [0,1,0,1,0,0|1,0,0]=3 10862 B10R1.178 CCCCC(=O)C1CCO1 1458a_100000089072_100000210211 [0,1,0,1,0,0|1,0,0]=3 10863 B10R1.178 CCCCC(=O)C1COC1 1458a_100000210183_100000687716 [0,1,0,1,0,0|1,0,0]=3 10864 B10R1.178 CCCCC(=O)C1COC1 1458a_100000758290_100000210211 [0,1,0,1,0,0|1,0,0]=3 10865 B10R1.178 CCCCC(=O)N1CCC1 11a_100000754969_100000210183 [0,1,0,1,0,0|1,0,0]=3 10866 B10R1.178 CCCCC(=O)N1CCC1 240690a_100000754969_100000210183 [0,1,0,1,0,0|1,0,0]=3 10867 B10R1.178 CCCCC(=O)N1CCC1 527a_100000754969_100000210183 [0,1,0,1,0,0|1,0,0]=3 10868 B10R1.178 CCCNC(=O)C1CCC1 11a_100020643023_100000209988 [0,1,0,1,0,0|1,0,0]=3 10869 B10R1.178 CCCNC(=O)C1CCC1 1626a_100020643023_100000209988 [0,1,0,1,0,0|1,0,0]=3 10870 B10R1.178 CCCNC(=O)C1CCC1 240690a_100020643023_100000209988 [0,1,0,1,0,0|1,0,0]=3 10871 B10R1.178 CCCNC(=O)C1CCC1 527a_100020643023_100000209988 [0,1,0,1,0,0|1,0,0]=3 10872 B10R1.178 CCCNC(=O)C1CCO1 11a_100020643023_100000089072 [0,1,0,1,0,0|1,0,0]=3 10873 B10R1.178 CCCNC(=O)C1CCO1 1626a_100020643023_100000089072 [0,1,0,1,0,0|1,0,0]=3 10874 B10R1.178 CCCNC(=O)C1CCO1 240690a_100020643023_100000089072 [0,1,0,1,0,0|1,0,0]=3 10875 B10R1.178 CCCNC(=O)C1CCO1 527a_100020643023_100000089072 [0,1,0,1,0,0|1,0,0]=3 10876 B10R1.178 CCCNC(=O)C1COC1 11a_100020643023_100000758290 [0,1,0,1,0,0|1,0,0]=3 10877 B10R1.178 CCCNC(=O)C1COC1 1626a_100020643023_100000758290 [0,1,0,1,0,0|1,0,0]=3 10878 B10R1.178 CCCNC(=O)C1COC1 240690a_100020643023_100000758290 [0,1,0,1,0,0|1,0,0]=3 10879 B10R1.178 CCCNC(=O)C1COC1 527a_100020643023_100000758290 [0,1,0,1,0,0|1,0,0]=3 10880 B10R1.178 CCCNC(=O)N1CCC1 2708a_100020643023_100000754969 [0,1,0,1,0,0|1,0,0]=3 10881 B10R1.178 CCCNC(=O)N1CCC1 273464a_100020643023_100000754969 [0,1,0,1,0,0|1,0,0]=3 10882 B10R1.178 CCCOC(C)C1CCC1 34a_100000766398_100000210303 [0,1,0,1,0,0|1,0,1]=4 10883 B10R1.178 CCCOC(C)C1CCC1 7a_100000766398_100000210303 [0,1,0,1,0,0|1,0,1]=4 10884 B10R1.178 CCNCC(=O)C1CCC1 2230a_100015525214_100000686122 [0,1,0,1,0,0|1,0,0]=3 10885 B10R1.178 CCNCC(=O)N1CCC1 2230a_100015525214_100000185095 [0,1,0,1,0,0|1,0,0]=3 10886 B10R1.178 CCNNC(=O)C1CCC1 22a_100000756455_100000209988 [0,1,0,1,0,0|2,0,0]=4 10887 B10R1.178 CCNNC(=O)C1CCO1 22a_100000756455_100000089072 [0,1,0,1,0,0|2,0,0]=4 10888 B10R1.178 CCNNC(=O)C1COC1 22a_100000756455_100000758290 [0,1,0,1,0,0|2,0,0]=4 10889 B10R1.178 CCOCC(=O)C1CCC1 1458a_100000211967_100000749161 [0,1,0,1,0,0|1,0,0]=3 10890 B10R1.178 CCOCC(=O)C1CCC1 34a_100121572206_100000686122 [0,1,0,1,0,0|1,0,0]=3 10891 B10R1.178 CCOCC(=O)C1COC1 1458a_100000211967_100000687716 [0,1,0,1,0,0|2,0,0]=4 10892 B10R1.178 CCOCC(=O)N1CCC1 11a_100000754969_100000211967 [0,1,0,1,0,0|1,0,0]=3 10893 B10R1.178 CCOCC(=O)N1CCC1 240690a_100000754969_100000211967 [0,1,0,1,0,0|1,0,0]=3 10894 B10R1.178 CCOCC(=O)N1CCC1 34a_100121572206_100000185095 [0,1,0,1,0,0|1,0,0]=3 10895 B10R1.178 CCOCC(=O)N1CCC1 527a_100000754969_100000211967 [0,1,0,1,0,0|1,0,0]=3 10896 B10R1.178 CCSCC(=O)C1CCC1 1458a_100000230394_100000749161 [0,1,0,1,0,0|1,0,0]=3 10897 B10R1.178 CCSCC(=O)C1CCC1 62a_100000210202_100000686122 [0,1,0,1,0,0|1,0,0]=3 10898 B10R1.178 CCSCC(=O)C1CCC1 62a_100000686122_100000210202 [0,1,0,1,0,0|1,0,0]=3 10899 B10R1.178 CCSCC(=O)C1COC1 1458a_100000230394_100000687716 [0,1,0,1,0,0|2,0,0]=4 10900 B10R1.178 CCSCC(=O)N1CCC1 11a_100000754969_100000230394 [0,1,0,1,0,0|1,0,0]=3 10901 B10R1.178 CCSCC(=O)N1CCC1 240690a_100000754969_100000230394 [0,1,0,1,0,0|1,0,0]=3 10902 B10R1.178 CCSCC(=O)N1CCC1 527a_100000754969_100000230394 [0,1,0,1,0,0|1,0,0]=3 10903 B10R1.178 CCSCC(=O)N1CCC1 62a_100000185095_100000210202 [0,1,0,1,0,0|1,0,0]=3 10904 B10R1.178 CCSCC(=O)N1CCC1 62a_100000210202_100000185095 [0,1,0,1,0,0|1,0,0]=3 10905 B10R1.178 COCCC(=O)C1CCC1 1458a_100000209988_100000233755 [0,1,0,1,0,0|1,0,0]=3 10906 B10R1.178 COCCC(=O)C1CCC1 1458a_100000749529_100000749161 [0,1,0,1,0,0|1,0,0]=3 10907 B10R1.178 COCCC(=O)C1CCO1 1458a_100000089072_100000233755 [0,1,0,1,0,0|2,0,0]=4 10908 B10R1.178 COCCC(=O)C1COC1 1458a_100000749529_100000687716 [0,1,0,1,0,0|2,0,0]=4 10909 B10R1.178 COCCC(=O)C1COC1 1458a_100000758290_100000233755 [0,1,0,1,0,0|2,0,0]=4 10910 B10R1.178 COCCC(=O)N1CCC1 11a_100000754969_100000749529 [0,1,0,1,0,0|1,0,0]=3 10911 B10R1.178 COCCC(=O)N1CCC1 240690a_100000754969_100000749529 [0,1,0,1,0,0|1,0,0]=3 10912 B10R1.178 COCCC(=O)N1CCC1 527a_100000754969_100000749529 [0,1,0,1,0,0|1,0,0]=3 10913 B10R1.178 CSCCC(=O)C1CCC1 1458a_100000174002_100000749161 [0,1,0,1,0,0|1,0,0]=3 10914 B10R1.178 CSCCC(=O)C1CCC1 1458a_100000209988_100000751147 [0,1,0,1,0,0|1,0,0]=3 10915 B10R1.178 CSCCC(=O)C1CCO1 1458a_100000089072_100000751147 [0,1,0,1,0,0|2,0,0]=4 10916 B10R1.178 CSCCC(=O)C1COC1 1458a_100000174002_100000687716 [0,1,0,1,0,0|2,0,0]=4 10917 B10R1.178 CSCCC(=O)C1COC1 1458a_100000758290_100000751147 [0,1,0,1,0,0|2,0,0]=4 10918 B10R1.178 CSCCC(=O)N1CCC1 11a_100000754969_100000174002 [0,1,0,1,0,0|1,0,0]=3 10919 B10R1.178 CSCCC(=O)N1CCC1 240690a_100000754969_100000174002 [0,1,0,1,0,0|1,0,0]=3 10920 B10R1.178 CSCCC(=O)N1CCC1 527a_100000754969_100000174002 [0,1,0,1,0,0|1,0,0]=3 10921 B10R1.178 N#CCCC(=O)C1CCC1 1458a_100000209988_100011215226 [0,1,0,1,0,0|1,0,1]=4 10922 B10R1.178 N#CCCC(=O)C1CCC1 1458a_100011934036_100000749161 [0,1,0,1,0,0|1,0,1]=4 10923 B10R1.178 N#CCCC(=O)N1CCC1 11a_100000754969_100011934036 [0,1,0,1,0,0|1,0,1]=4 10924 B10R1.178 N#CCCC(=O)N1CCC1 240690a_100000754969_100011934036 [0,1,0,1,0,0|1,0,1]=4 10925 B10R1.178 N#CCCC(=O)N1CCC1 527a_100000754969_100011934036 [0,1,0,1,0,0|1,0,1]=4 10926 B10R1.178 O=C(CCCF)C1CCC1 1458a_100000209988_100011934791 [0,1,0,1,0,0|1,0,0]=3 10927 B10R1.178 O=C(CCCF)C1CCO1 1458a_100000089072_100011934791 [0,1,0,1,0,0|2,0,0]=4 10928 B10R1.178 O=C(CCCF)C1COC1 1458a_100000758290_100011934791 [0,1,0,1,0,0|2,0,0]=4 10929 B10R1.178 O=C(CCCO)C1CCC1 1458a_100000209988_100011215043 [0,1,0,1,0,0|1,0,0]=3 10930 B10R1.178 O=C(CCCO)C1CCO1 1458a_100000089072_100011215043 [0,1,0,1,0,0|2,0,0]=4 10931 B10R1.178 O=C(CCCO)C1COC1 1458a_100000758290_100011215043 [0,1,0,1,0,0|2,0,0]=4 10932 B10R1.178 O=C(CSCF)C1CCC1 62a_100000686122_100015361967 [0,1,0,1,0,0|2,0,0]=4 10933 B10R1.178 O=C(CSCF)C1CCC1 62a_100015361967_100000686122 [0,1,0,1,0,0|2,0,0]=4 10934 B10R1.178 O=C(CSCF)N1CCC1 62a_100000185095_100015361967 [0,1,0,1,0,0|2,0,0]=4 10935 B10R1.178 O=C(CSCF)N1CCC1 62a_100015361967_100000185095 [0,1,0,1,0,0|2,0,0]=4 10936 B10R1.178 O=C(NCCF)C1CCC1 11a_100000724931_100000209988 [0,1,0,1,0,0|2,0,0]=4 10937 B10R1.178 O=C(NCCF)C1CCC1 1626a_100000724931_100000209988 [0,1,0,1,0,0|2,0,0]=4 10938 B10R1.178 O=C(NCCF)C1CCC1 240690a_100000724931_100000209988 [0,1,0,1,0,0|2,0,0]=4 10939 B10R1.178 O=C(NCCF)C1CCC1 527a_100000724931_100000209988 [0,1,0,1,0,0|2,0,0]=4 10940 B10R1.178 O=C(NCCF)C1CCO1 11a_100000724931_100000089072 [0,1,0,1,0,0|2,0,0]=4 10941 B10R1.178 O=C(NCCF)C1CCO1 1626a_100000724931_100000089072 [0,1,0,1,0,0|2,0,0]=4 10942 B10R1.178 O=C(NCCF)C1CCO1 240690a_100000724931_100000089072 [0,1,0,1,0,0|2,0,0]=4 10943 B10R1.178 O=C(NCCF)C1CCO1 527a_100000724931_100000089072 [0,1,0,1,0,0|2,0,0]=4 10944 B10R1.178 O=C(NCCF)C1COC1 11a_100000724931_100000758290 [0,1,0,1,0,0|2,0,0]=4 10945 B10R1.178 O=C(NCCF)C1COC1 1626a_100000724931_100000758290 [0,1,0,1,0,0|2,0,0]=4 10946 B10R1.178 O=C(NCCF)C1COC1 240690a_100000724931_100000758290 [0,1,0,1,0,0|2,0,0]=4 10947 B10R1.178 O=C(NCCF)C1COC1 527a_100000724931_100000758290 [0,1,0,1,0,0|2,0,0]=4 10948 B10R1.178 O=C(NCCF)N1CCC1 273464a_100000724931_100000754969 [0,1,0,1,0,0|2,0,0]=4 10949 B10R1.178 O=C(NCCO)C1CCC1 240690a_100000210304_100000209988 [0,1,0,1,0,0|2,0,0]=4 10950 B10R1.178 O=C(NCCO)C1CCC1 527a_100000210304_100000209988 [0,1,0,1,0,0|2,0,0]=4 10951 B10R1.178 O=C(NCCO)C1CCO1 240690a_100000210304_100000089072 [0,1,0,1,0,0|2,0,0]=4 10952 B10R1.178 O=C(NCCO)C1CCO1 527a_100000210304_100000089072 [0,1,0,1,0,0|2,0,0]=4 10953 B10R1.178 O=C(NCCO)C1COC1 240690a_100000210304_100000758290 [0,1,0,1,0,0|2,0,0]=4 10954 B10R1.178 O=C(NCCO)C1COC1 527a_100000210304_100000758290 [0,1,0,1,0,0|2,0,0]=4 10955 B10R1.178 O=C(NCCO)N1CCC1 273464a_100000210304_100000754969 [0,1,0,1,0,0|2,0,0]=4 10956 B10R1.179 CC1(CC1)C(=O)CCCF 1458a_100000756474_100011934791 [0,1,0,1,0,0|2,0,0]=4 10957 B10R1.179 CC1(CC1)C(=O)CCCO 1458a_100000756474_100011215043 [0,1,0,1,0,0|2,0,0]=4 10958 B10R1.179 CC1(CC1)C(=O)NCCF 11a_100000724931_100000756474 [0,1,0,1,0,0|2,0,0]=4 10959 B10R1.179 CC1(CC1)C(=O)NCCF 1626a_100000724931_100000756474 [0,1,0,1,0,0|2,0,0]=4 10960 B10R1.179 CC1(CC1)C(=O)NCCF 240690a_100000724931_100000756474 [0,1,0,1,0,0|2,0,0]=4 10961 B10R1.179 CC1(CC1)C(=O)NCCF 527a_100000724931_100000756474 [0,1,0,1,0,0|2,0,0]=4 10962 B10R1.179 CC1(CC1)C(=O)NCCO 240690a_100000210304_100000756474 [0,1,0,1,0,0|2,0,0]=4 10963 B10R1.179 CC1(CC1)C(=O)NCCO 527a_100000210304_100000756474 [0,1,0,1,0,0|2,0,0]=4 10964 B10R1.179 CCCCC(=O)C1(CC1)C 1458a_100000756474_100000210211 [0,1,0,1,0,0|1,0,0]=3 10965 B10R1.179 CCCCC(=O)C1(CC1)F 1458a_100000055089_100000210211 [0,1,0,1,0,0|1,0,0]=3 10966 B10R1.179 CCCCC(=O)C1(CC1)O 1458a_100000241761_100000210211 [0,1,0,1,0,0|1,0,0]=3 10967 B10R1.179 CCCNC(=O)C1(CC1)C 11a_100020643023_100000756474 [0,1,0,1,0,0|1,0,0]=3 10968 B10R1.179 CCCNC(=O)C1(CC1)C 1626a_100020643023_100000756474 [0,1,0,1,0,0|1,0,0]=3 10969 B10R1.179 CCCNC(=O)C1(CC1)C 240690a_100020643023_100000756474 [0,1,0,1,0,0|1,0,0]=3 10970 B10R1.179 CCCNC(=O)C1(CC1)C 527a_100020643023_100000756474 [0,1,0,1,0,0|1,0,0]=3 10971 B10R1.179 CCCNC(=O)C1(CC1)F 11a_100020643023_100000055089 [0,1,0,1,0,0|1,0,0]=3 10972 B10R1.179 CCCNC(=O)C1(CC1)F 1626a_100020643023_100000055089 [0,1,0,1,0,0|1,0,0]=3 10973 B10R1.179 CCCNC(=O)C1(CC1)F 240690a_100020643023_100000055089 [0,1,0,1,0,0|1,0,0]=3 10974 B10R1.179 CCCNC(=O)C1(CC1)F 527a_100020643023_100000055089 [0,1,0,1,0,0|1,0,0]=3 10975 B10R1.179 CCCNC(=O)C1(CC1)O 240690a_100020643023_100000241761 [0,1,0,1,0,0|1,0,0]=3 10976 B10R1.179 CCNNC(=O)C1(CC1)C 22a_100000756455_100000756474 [0,1,0,1,0,0|2,0,0]=4 10977 B10R1.179 CCNNC(=O)C1(CC1)F 22a_100000756455_100000055089 [0,1,0,1,0,0|2,0,0]=4 10978 B10R1.179 CCNNC(=O)C1(CC1)O 22a_100000756455_100000241761 [0,1,0,1,0,0|2,0,0]=4 10979 B10R1.179 COCCC(=O)C1(CC1)C 1458a_100000756474_100000233755 [0,1,0,1,0,0|2,0,0]=4 10980 B10R1.179 COCCC(=O)C1(CC1)F 1458a_100000055089_100000233755 [0,1,0,1,0,0|2,0,0]=4 10981 B10R1.179 COCCC(=O)C1(CC1)O 1458a_100000241761_100000233755 [0,1,0,1,0,0|2,0,0]=4 10982 B10R1.179 CSCCC(=O)C1(CC1)C 1458a_100000756474_100000751147 [0,1,0,1,0,0|2,0,0]=4 10983 B10R1.179 CSCCC(=O)C1(CC1)F 1458a_100000055089_100000751147 [0,1,0,1,0,0|2,0,0]=4 10984 B10R1.179 CSCCC(=O)C1(CC1)O 1458a_100000241761_100000751147 [0,1,0,1,0,0|2,0,0]=4 10985 B10R1.179 O=C(CCCF)C1(CC1)F 1458a_100000055089_100011934791 [0,1,0,1,0,0|2,0,0]=4 10986 B10R1.179 O=C(CCCF)C1(CC1)O 1458a_100000241761_100011934791 [0,1,0,1,0,0|2,0,0]=4 10987 B10R1.179 O=C(CCCO)C1(CC1)F 1458a_100000055089_100011215043 [0,1,0,1,0,0|2,0,0]=4 10988 B10R1.179 O=C(CCCO)C1(CC1)O 1458a_100000241761_100011215043 [0,1,0,1,0,0|2,0,0]=4 10989 B10R1.179 O=C(NCCF)C1(CC1)F 11a_100000724931_100000055089 [0,1,0,1,0,0|2,0,0]=4 10990 B10R1.179 O=C(NCCF)C1(CC1)F 1626a_100000724931_100000055089 [0,1,0,1,0,0|2,0,0]=4 10991 B10R1.179 O=C(NCCF)C1(CC1)F 240690a_100000724931_100000055089 [0,1,0,1,0,0|2,0,0]=4 10992 B10R1.179 O=C(NCCF)C1(CC1)F 527a_100000724931_100000055089 [0,1,0,1,0,0|2,0,0]=4 10993 B10R1.179 O=C(NCCF)C1(CC1)O 240690a_100000724931_100000241761 [0,1,0,1,0,0|2,0,0]=4 10994 B10R1.179 O=C(NCCO)C1(CC1)F 240690a_100000210304_100000055089 [0,1,0,1,0,0|2,0,0]=4 10995 B10R1.179 O=C(NCCO)C1(CC1)F 527a_100000210304_100000055089 [0,1,0,1,0,0|2,0,0]=4 10996 B10R1.179 O=C(NCCO)C1(CC1)O 240690a_100000210304_100000241761 [0,1,0,1,0,0|2,0,0]=4 10997 B10R1.182 CCC(C)C(=O)C1CCC1 1458a_100000209988_100000758301 [0,1,0,1,0,0|1,0,0]=3 10998 B10R1.182 CCC(C)C(=O)C1CCC1 1458a_100011192722_100000749161 [0,1,0,1,0,0|1,0,0]=3 10999 B10R1.182 CCC(C)C(=O)C1CCO1 1458a_100000089072_100000758301 [0,1,0,1,0,0|2,0,0]=4 11000 B10R1.182 CCC(C)C(=O)C1COC1 1458a_100000758290_100000758301 [0,1,0,1,0,0|2,0,0]=4 11001 B10R1.182 CCC(C)C(=O)C1COC1 1458a_100011192722_100000687716 [0,1,0,1,0,0|2,0,0]=4 11002 B10R1.182 CCC(C)C(=O)N1CCC1 11a_100000754969_100011192722 [0,1,0,1,0,0|1,0,0]=3 11003 B10R1.182 CCC(C)C(=O)N1CCC1 240690a_100000754969_100011192722 [0,1,0,1,0,0|1,0,0]=3 11004 B10R1.182 CCC(C)C(=O)N1CCC1 527a_100000754969_100011192722 [0,1,0,1,0,0|1,0,0]=3 11005 B10R1.182 CCC(O)C(=O)C1CCC1 1458a_100011196387_100000749161 [0,1,0,1,0,0|1,0,0]=3 11006 B10R1.182 CCC(O)C(=O)C1COC1 1458a_100011196387_100000687716 [0,1,0,1,0,0|2,0,0]=4 11007 B10R1.182 CCC(O)C(=O)N1CCC1 240690a_100000754969_100011196387 [0,1,0,1,0,0|1,0,0]=3 11008 B10R1.182 CCN(C)C(=O)C1CCC1 11a_100000225621_100000209988 [0,1,0,1,0,0|2,0,0]=4 11009 B10R1.182 CCN(C)C(=O)C1CCC1 1626a_100000225621_100000209988 [0,1,0,1,0,0|2,0,0]=4 11010 B10R1.182 CCN(C)C(=O)C1CCC1 240690a_100000225621_100000209988 [0,1,0,1,0,0|2,0,0]=4 11011 B10R1.182 CCN(C)C(=O)C1CCC1 527a_100000225621_100000209988 [0,1,0,1,0,0|2,0,0]=4 11012 B10R1.182 COC(C)C(=O)C1CCC1 1458a_100000743197_100000749161 [0,1,0,1,0,0|2,0,0]=4 11013 B10R1.182 COC(C)C(=O)N1CCC1 11a_100000754969_100000743197 [0,1,0,1,0,0|2,0,0]=4 11014 B10R1.182 COC(C)C(=O)N1CCC1 240690a_100000754969_100000743197 [0,1,0,1,0,0|2,0,0]=4 11015 B10R1.182 COC(C)C(=O)N1CCC1 527a_100000754969_100000743197 [0,1,0,1,0,0|2,0,0]=4 11016 B10R1.182 CSC(C)C(=O)C1CCC1 1458a_100000149566_100000749161 [0,1,0,1,0,0|2,0,0]=4 11017 B10R1.182 CSC(C)C(=O)N1CCC1 11a_100000754969_100000149566 [0,1,0,1,0,0|2,0,0]=4 11018 B10R1.182 CSC(C)C(=O)N1CCC1 240690a_100000754969_100000149566 [0,1,0,1,0,0|2,0,0]=4 11019 B10R1.182 CSC(C)C(=O)N1CCC1 527a_100000754969_100000149566 [0,1,0,1,0,0|2,0,0]=4 11020 B10R1.182 O=C(C(O)CO)C1CCC1 1458a_100011215603_100000749161 [0,1,0,1,0,0|2,0,0]=4 11021 B10R1.182 O=C(C(O)CO)N1CCC1 240690a_100000754969_100011215603 [0,1,0,1,0,0|2,0,0]=4 11022 B10R1.184 CC(S[13CH3])C(=O)NC1CC1 62a_100000179742_200025704644 [0,1,0,1,0,0|2,0,0]=4 11023 B10R1.184 CC(S[13CH3])C(=O)NC1CC1 62a_200025704644_100000179742 [0,1,0,1,0,0|2,0,0]=4 11024 B10R1.184 CCC(=O)C(=O)NC1CC1 1458a_100000756273_100000210202 [0,1,0,1,0,0|1,0,1]=4 11025 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100000738066_100000758301 [0,1,0,1,0,0|1,0,0]=3 11026 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100011192722_100000742324 [0,1,0,1,0,0|1,0,0]=3 11027 B10R1.184 CCC(C)C(=O)CC1CO1 1458a_100011192722_100011216344 [0,1,0,1,0,0|2,0,0]=4 11028 B10R1.184 CCC(C)C(=O)CC1CS1 1458a_100011192722_100000031435 [0,1,0,1,0,0|2,0,0]=4 11029 B10R1.184 CCC(C)C(=O)C[C@@H]1CO1 1458a_100011192722_100000745022 [0,1,0,1,0,0|2,0,0]=4 11030 B10R1.184 CCC(C)C(=O)NC1CC1 1626a_100000212008_100011192722 [0,1,0,1,0,0|1,0,0]=3 11031 B10R1.184 CCC(C)C(=O)NC1CC1 240690a_100000212008_100011192722 [0,1,0,1,0,0|1,0,0]=3 11032 B10R1.184 CCC(C)C(=O)NC1CC1 527a_100000212008_100011192722 [0,1,0,1,0,0|1,0,0]=3 11033 B10R1.184 CCC(O)C(=O)CC1CC1 1458a_100011196387_100000742324 [0,1,0,1,0,0|1,0,0]=3 11034 B10R1.184 CCC(O)C(=O)CC1CO1 1458a_100011196387_100011216344 [0,1,0,1,0,0|2,0,0]=4 11035 B10R1.184 CCC(O)C(=O)CC1CS1 1458a_100011196387_100000031435 [0,1,0,1,0,0|2,0,0]=4 11036 B10R1.184 CCC(O)C(=O)C[C@@H]1CO1 1458a_100011196387_100000745022 [0,1,0,1,0,0|2,0,0]=4 11037 B10R1.184 CCC(O)C(=O)NC1CC1 240690a_100000212008_100011196387 [0,1,0,1,0,0|1,0,0]=3 11038 B10R1.184 CCN(C)C(=O)CC1CC1 11a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 11039 B10R1.184 CCN(C)C(=O)CC1CC1 1626a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 11040 B10R1.184 CCN(C)C(=O)CC1CC1 240690a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 11041 B10R1.184 CCN(C)C(=O)CC1CC1 527a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 11042 B10R1.184 CCN(C)C(=O)NC1CC1 2708a_100000212008_100000225621 [0,1,0,1,0,0|2,0,0]=4 11043 B10R1.184 CCN(C)C(=O)NC1CC1 273464a_100000212008_100000225621 [0,1,0,1,0,0|2,0,0]=4 11044 B10R1.184 CNC(C)C(=O)NC1CC1 2230a_106832991635_100000179742 [0,1,0,1,0,0|2,0,0]=4 11045 B10R1.184 CNC(C)C(=O)NC1CC1 34a_100102657272_100000179742 [0,1,0,1,0,0|2,0,0]=4 11046 B10R1.184 CNC(C)C(=O)NC1CC1 7a_106832991635_100000179742 [0,1,0,1,0,0|2,0,0]=4 11047 B10R1.184 COC(C)C(=O)CC1CC1 1458a_100000743197_100000742324 [0,1,0,1,0,0|2,0,0]=4 11048 B10R1.184 COC(C)C(=O)NC1CC1 1626a_100000212008_100000743197 [0,1,0,1,0,0|2,0,0]=4 11049 B10R1.184 COC(C)C(=O)NC1CC1 240690a_100000212008_100000743197 [0,1,0,1,0,0|2,0,0]=4 11050 B10R1.184 COC(C)C(=O)NC1CC1 34a_100138415774_100000179742 [0,1,0,1,0,0|2,0,0]=4 11051 B10R1.184 COC(C)C(=O)NC1CC1 527a_100000212008_100000743197 [0,1,0,1,0,0|2,0,0]=4 11052 B10R1.184 CSC(C)C(=O)CC1CC1 1458a_100000149566_100000742324 [0,1,0,1,0,0|2,0,0]=4 11053 B10R1.184 CSC(C)C(=O)NC1CC1 1626a_100000212008_100000149566 [0,1,0,1,0,0|2,0,0]=4 11054 B10R1.184 CSC(C)C(=O)NC1CC1 240690a_100000212008_100000149566 [0,1,0,1,0,0|2,0,0]=4 11055 B10R1.184 CSC(C)C(=O)NC1CC1 527a_100000212008_100000149566 [0,1,0,1,0,0|2,0,0]=4 11056 B10R1.184 CSC(C)C(=O)NC1CC1 62a_100000179742_200000210301 [0,1,0,1,0,0|2,0,0]=4 11057 B10R1.184 CSC(C)C(=O)NC1CC1 62a_200000210301_100000179742 [0,1,0,1,0,0|2,0,0]=4 11058 B10R1.184 O=C(CC1CC1)C(O)CO 1458a_100011215603_100000742324 [0,1,0,1,0,0|2,0,0]=4 11059 B10R1.184 O=C(NC1CC1)C(O)CO 240690a_100000212008_100011215603 [0,1,0,1,0,0|2,0,0]=4 11060 B10R1.332 C[C@H]1CNC(=O)CCN1C 2230a_102125656889_200000210301 [0,1,0,1,0,0|1,0,0]=3 11061 B10R1.332 C[C@H]1CNC(=O)CCN1C 269982a_102125656889_200000210301 [0,1,0,1,0,0|1,0,0]=3 11062 B10R1.332 C[C@H]1CNC(=O)CCN1C 34a_102125656889_200000210301 [0,1,0,1,0,0|1,0,0]=3 11063 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 2230a_102125656889_200025704644 [0,1,0,1,0,0|1,0,0]=3 11064 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 269982a_102125656889_200025704644 [0,1,0,1,0,0|1,0,0]=3 11065 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 34a_102125656889_200025704644 [0,1,0,1,0,0|1,0,0]=3 11066 B10R1.461 CCC(C)C(=O)C1CC1C 1458a_100000211227_100000758301 [0,1,0,1,0,0|1,0,0]=3 11067 B10R1.461 CCC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000758301 [0,1,0,1,0,0|2,0,0]=4 11068 B10R1.461 CCN(C)C(=O)C1CC1C 11a_100000225621_100000211227 [0,1,0,1,0,0|2,0,0]=4 11069 B10R1.461 CCN(C)C(=O)C1CC1C 1626a_100000225621_100000211227 [0,1,0,1,0,0|2,0,0]=4 11070 B10R1.461 CCN(C)C(=O)C1CC1C 527a_100000225621_100000211227 [0,1,0,1,0,0|2,0,0]=4 11071 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [0,1,0,1,0,0|1,0,0]=3 11072 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [0,1,0,1,0,0|1,0,0]=3 11073 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [0,1,0,1,0,0|1,0,0]=3 11074 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,1,0,1,0,0|1,0,0]=3 11075 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,1,0,1,0,0|1,0,0]=3 11076 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [0,1,0,1,0,0|1,0,0]=3 11077 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [0,1,0,1,0,0|1,0,0]=3 11078 B10R1.4 CCOC1COCCC1=O 34a_100121572206_100012180262 [0,1,0,1,0,0|2,0,0]=4 11079 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [0,1,0,1,0,0|1,0,0]=3 11080 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [0,1,0,1,0,0|1,0,0]=3 11081 B10R1.4 CCSC1CCCNC1=O 62a_100000210202_100000687798 [0,1,0,1,0,0|1,0,0]=3 11082 B10R1.4 CCSC1CCCNC1=O 62a_100000687798_100000210202 [0,1,0,1,0,0|1,0,0]=3 11083 B10R1.4 CCSC1COCCC1=O 62a_100000210202_100012180262 [0,1,0,1,0,0|2,0,0]=4 11084 B10R1.4 CCSC1COCCC1=O 62a_100012180262_100000210202 [0,1,0,1,0,0|2,0,0]=4 11085 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,1,0,1,0,0|1,0,0]=3 11086 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,1,0,1,0,0|1,0,0]=3 11087 B10R1.4 O=C1CCCCC1OCF 34a_100011214950_100015361967 [0,1,0,1,0,0|2,0,0]=4 11088 B10R1.4 O=C1CCCCC1SCF 62a_100000204591_100015361967 [0,1,0,1,0,0|2,0,0]=4 11089 B10R1.4 O=C1CCCCC1SCF 62a_100015361967_100000204591 [0,1,0,1,0,0|2,0,0]=4 11090 B10R1.4 O=C1NCCCC1NCF 34a_100000747585_100015361967 [0,1,0,1,0,0|2,0,0]=4 11091 B10R1.4 O=C1NCCCC1OCF 34a_100000073722_100015361967 [0,1,0,1,0,0|2,0,0]=4 11092 B10R1.4 O=C1NCCCC1SCF 62a_100000687798_100015361967 [0,1,0,1,0,0|2,0,0]=4 11093 B10R1.4 O=C1NCCCC1SCF 62a_100015361967_100000687798 [0,1,0,1,0,0|2,0,0]=4 11094 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,1,0,1,0,0|1,0,0]=3 11095 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,1,0,1,0,0|1,0,0]=3 11096 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [0,1,0,1,0,0|1,0,1]=4 11097 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [0,1,0,1,0,0|1,0,1]=4 11098 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [0,1,0,1,0,0|1,0,1]=4 11099 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [0,1,0,1,0,0|1,0,1]=4 11100 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [0,1,0,1,0,0|0,0,2]=4 11101 B10R1.17 CCCOC1CCCOC1 34a_100000210258_100000693364 [0,1,0,1,0,0|0,0,2]=4 11102 B10R1.17 CCCOC1CCCOC1 34a_100000754041_100000210303 [0,1,0,1,0,0|0,0,2]=4 11103 B10R1.17 CCCOC1CCCSC1 7a_100015962668_100000210303 [0,1,0,1,0,0|0,1,1]=4 11104 B10R1.17 CCCOC1CCOCC1 34a_100000744328_100000210303 [0,1,0,1,0,0|1,0,1]=4 11105 B10R1.17 CCCOC1CCSCC1 34a_100000210258_100000069128 [0,1,0,1,0,0|1,0,1]=4 11106 B10R1.17 CCCOC1CCSCC1 34a_100000731022_100000210303 [0,1,0,1,0,0|1,0,1]=4 11107 B10R1.17 CCCOC1CCSCC1 7a_100000731022_100000210303 [0,1,0,1,0,0|1,0,1]=4 11108 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [0,1,0,1,0,0|1,0,1]=4 11109 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [0,1,0,1,0,0|1,0,1]=4 11110 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [0,1,0,1,0,0|1,0,1]=4 11111 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [0,1,0,1,0,0|1,0,1]=4 11112 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [0,1,0,1,0,0|1,0,1]=4 11113 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [0,1,0,1,0,0|1,0,1]=4 11114 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [0,1,0,1,0,0|1,0,1]=4 11115 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [0,1,0,1,0,0|1,0,1]=4 11116 B10R1.17 CNCCC1=CCCCC1 2230a_100000212019_200000210301 [0,1,0,1,0,0|2,0,0]=4 11117 B10R1.17 CNCCC1=CCCCC1 34a_100000212019_200000210301 [0,1,0,1,0,0|2,0,0]=4 11118 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [0,1,0,1,0,0|1,0,1]=4 11119 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [0,1,0,1,0,0|1,0,1]=4 11120 B10R1.17 CNCCC1OCCCO1 2230a_106832991635_100000764188 [0,1,0,1,0,0|0,0,2]=4 11121 B10R1.17 CNCCC1OCCCO1 34a_100102657272_100000764188 [0,1,0,1,0,0|0,0,2]=4 11122 B10R1.17 CNCCC1OCCCO1 7a_106832991635_100000764188 [0,1,0,1,0,0|0,0,2]=4 11123 B10R1.17 COCCC1OCCCO1 34a_100138415774_100000764188 [0,1,0,1,0,0|0,0,2]=4 11124 B10R1.17 CSCCC1OCCCO1 62a_100000764188_200000210301 [0,1,0,1,0,0|0,0,2]=4 11125 B10R1.17 CSCCC1OCCCO1 62a_200000210301_100000764188 [0,1,0,1,0,0|0,0,2]=4 11126 B10R1.17 [13CH3]NCCC1=CCCCC1 2230a_100000212019_200025704644 [0,1,0,1,0,0|2,0,0]=4 11127 B10R1.17 [13CH3]NCCC1=CCCCC1 34a_100000212019_200025704644 [0,1,0,1,0,0|2,0,0]=4 11128 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [0,1,0,1,0,0|1,0,1]=4 11129 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [0,1,0,1,0,0|1,0,1]=4 11130 B10R1.17 [13CH3]SCCC1OCCCO1 62a_100000764188_200025704644 [0,1,0,1,0,0|0,0,2]=4 11131 B10R1.17 [13CH3]SCCC1OCCCO1 62a_200025704644_100000764188 [0,1,0,1,0,0|0,0,2]=4 11132 B10R1.143 CCCOC1CN(C1)CC 269982a_200020626125_100000204670 [0,1,0,1,0,0|1,0,1]=4 11133 B10R1.143 CCCOC1CN(C1)CC 34a_200020626125_100000210202 [0,1,0,1,0,0|1,0,1]=4 11134 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [0,1,0,1,0,0|1,0,0]=3 11135 B10R1.187 CCOC1C(=O)COC1=O 34a_100121572206_100000032967 [0,1,0,1,0,0|1,0,1]=4 11136 B10R1.187 CCSC1C(=O)COC1=O 62a_100000210202_100000032967 [0,1,0,1,0,0|1,0,1]=4 11137 B10R1.216 CCCOC1(CCCC1)C 34a_100000751722_100000210303 [0,1,0,1,0,0|1,0,1]=4 11138 B10R1.216 CCCOC1(CCCC1)C 7a_100000751722_100000210303 [0,1,0,1,0,0|1,0,1]=4 11139 B10R1.27 CCC(C)OC1CCCC1 34a_100000210269_100011215416 [0,1,0,1,0,0|1,0,1]=4 11140 B10R1.27 CCC(C)OC1CCCC1 7a_100000210228_100000179811 [0,1,0,1,0,0|1,0,1]=4 11141 B10R1.27 CCC(C)OC1CCCC1 7a_100000210269_100000758301 [0,1,0,1,0,0|1,0,1]=4 11142 B10R1.27 CCC(C)OC1CCCO1 34a_100000085407_100011215416 [0,1,0,1,0,0|0,0,2]=4 11143 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747405 [0,1,0,1,0,0|1,0,1]=4 11144 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210414_100000746382 [0,1,0,1,0,0|1,0,1]=4 11145 B10R1.134 CCC(C)CC(=O)C1CC1 1458a_100000210395_100000748023 [0,1,0,1,0,0|1,0,0]=3 11146 B10R1.134 CCC(C)CC(=O)C1CO1 1458a_100000701028_100000748023 [0,1,0,1,0,0|2,0,0]=4 11147 B10R1.134 CCC(C)NC(=O)C1CC1 11a_100000209981_100000210395 [0,1,0,1,0,0|1,0,0]=3 11148 B10R1.134 CCC(C)NC(=O)C1CC1 1626a_100000209981_100000210395 [0,1,0,1,0,0|1,0,0]=3 11149 B10R1.134 CCC(C)NC(=O)C1CC1 240690a_100000209981_100000210395 [0,1,0,1,0,0|1,0,0]=3 11150 B10R1.134 CCC(C)NC(=O)C1CC1 527a_100000209981_100000210395 [0,1,0,1,0,0|1,0,0]=3 11151 B10R1.134 CCC(C)NC(=O)C1CO1 11a_100000209981_100000701028 [0,1,0,1,0,0|2,0,0]=4 11152 B10R1.134 CCC(C)NC(=O)C1CO1 1626a_100000209981_100000701028 [0,1,0,1,0,0|2,0,0]=4 11153 B10R1.134 CCC(C)NC(=O)C1CO1 240690a_100000209981_100000701028 [0,1,0,1,0,0|2,0,0]=4 11154 B10R1.134 CCC(C)NC(=O)C1CO1 527a_100000209981_100000701028 [0,1,0,1,0,0|2,0,0]=4 11155 B10R1.134 CCC(C)OC(C)C1CC1 34a_100000744524_100011215416 [0,1,0,1,0,0|1,0,1]=4 11156 B10R1.134 CCC(C)OC(C)C1CC1 7a_100000744524_100000758301 [0,1,0,1,0,0|1,0,1]=4 11157 B10R1.134 CCC(O)CC(=O)C1CC1 1458a_100000210395_100011218378 [0,1,0,1,0,0|1,0,0]=3 11158 B10R1.134 CCC(O)CC(=O)C1CO1 1458a_100000701028_100011218378 [0,1,0,1,0,0|2,0,0]=4 11159 B10R1.134 CCN(C)CC(=O)C1CC1 2230a_100000225621_100000746382 [0,1,0,1,0,0|2,0,0]=4 11160 B10R1.134 CCN(C)CC(=O)C1CC1 269982a_100000225621_100000746382 [0,1,0,1,0,0|2,0,0]=4 11161 B10R1.134 CC[C@H](C)CC(=O)C1CC1 1458a_100000210395_100009816398 [0,1,0,1,0,0|1,0,0]=3 11162 B10R1.134 CC[C@H](C)CC(=O)C1CO1 1458a_100000701028_100009816398 [0,1,0,1,0,0|2,0,0]=4 11163 B10R1.134 C[C@@H](CO)CC(=O)C1CC1 1458a_100000210395_100000059175 [0,1,0,1,0,0|2,0,0]=4 11164 B10R1.134 C[C@H](CF)NC(=O)C1CC1 11a_100102880703_100000210395 [0,1,0,1,0,0|2,0,0]=4 11165 B10R1.134 C[C@H](CF)NC(=O)C1CC1 1626a_100102880703_100000210395 [0,1,0,1,0,0|2,0,0]=4 11166 B10R1.134 C[C@H](CF)NC(=O)C1CC1 240690a_100102880703_100000210395 [0,1,0,1,0,0|2,0,0]=4 11167 B10R1.134 C[C@H](CF)NC(=O)C1CC1 527a_100102880703_100000210395 [0,1,0,1,0,0|2,0,0]=4 11168 B10R1.134 C[C@H](CO)NC(=O)C1CC1 240690a_100000737577_100000210395 [0,1,0,1,0,0|2,0,0]=4 11169 B10R1.134 C[C@H](CO)NC(=O)C1CC1 527a_100000737577_100000210395 [0,1,0,1,0,0|2,0,0]=4 11170 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,1,0,1,0,0|1,0,1]=4 11171 B10R1.149 CCN(C)C1CCCC1=O 2230a_100000225621_100000211823 [0,1,0,1,0,0|2,0,0]=4 11172 B10R1.149 CCN(C)C1CCCC1=O 269982a_100000225621_100000211823 [0,1,0,1,0,0|2,0,0]=4 11173 B10R1.181 CC1(CC1)CC(=O)CCF 1458a_100000112800_100011217306 [0,1,0,1,0,0|2,0,0]=4 11174 B10R1.181 CC1(CC1)CC(=O)CCO 1458a_100000112800_100000211926 [0,1,0,1,0,0|2,0,0]=4 11175 B10R1.181 CC1(CC1)NC(=O)CCO 240690a_100000757604_100011216618 [0,1,0,1,0,0|2,0,0]=4 11176 B10R1.181 CCCC(=O)CC1(CC1)C 1458a_100000112800_100000210303 [0,1,0,1,0,0|1,0,0]=3 11177 B10R1.181 CCCC(=O)CC1(CO1)C 1458a_100000211992_100000760498 [0,1,0,1,0,0|2,0,0]=4 11178 B10R1.181 CCCC(=O)NC1(CC1)C 11a_100000757604_100000211992 [0,1,0,1,0,0|1,0,0]=3 11179 B10R1.181 CCCC(=O)NC1(CC1)C 1626a_100000757604_100000211992 [0,1,0,1,0,0|1,0,0]=3 11180 B10R1.181 CCCC(=O)NC1(CC1)C 240690a_100000757604_100000211992 [0,1,0,1,0,0|1,0,0]=3 11181 B10R1.181 CCCC(=O)NC1(CC1)C 527a_100000757604_100000211992 [0,1,0,1,0,0|1,0,0]=3 11182 B10R1.181 CCCC(C)OC1(CC1)C 7a_100011725673_100000766640 [0,1,0,1,0,0|1,0,1]=4 11183 B10R1.181 CCNC(=O)CC1(CC1)C 11a_100015525214_100000112800 [0,1,0,1,0,0|2,0,0]=4 11184 B10R1.181 CCNC(=O)CC1(CC1)C 240690a_100015525214_100000112800 [0,1,0,1,0,0|2,0,0]=4 11185 B10R1.181 CCNC(=O)CC1(CC1)C 527a_100015525214_100000112800 [0,1,0,1,0,0|2,0,0]=4 11186 B10R1.181 CCNC(=O)NC1(CC1)C 2708a_100015525214_100000757604 [0,1,0,1,0,0|2,0,0]=4 11187 B10R1.181 CCNC(=O)NC1(CC1)C 273464a_100000757604_100015525214 [0,1,0,1,0,0|2,0,0]=4 11188 B10R1.181 CCNC(=O)NC1(CC1)C 273464a_100015525214_100000757604 [0,1,0,1,0,0|2,0,0]=4 11189 B10R1.181 CCNC(=O)NC1(CC1)C 512a_100000757604_100015525214 [0,1,0,1,0,0|2,0,0]=4 11190 B10R1.181 COCC(=O)NC1(CC1)C 11a_100000757604_100000210968 [0,1,0,1,0,0|2,0,0]=4 11191 B10R1.181 COCC(=O)NC1(CC1)C 1626a_100000757604_100000210968 [0,1,0,1,0,0|2,0,0]=4 11192 B10R1.181 COCC(=O)NC1(CC1)C 240690a_100000757604_100000210968 [0,1,0,1,0,0|2,0,0]=4 11193 B10R1.181 COCC(=O)NC1(CC1)C 527a_100000757604_100000210968 [0,1,0,1,0,0|2,0,0]=4 11194 B10R1.181 CSCC(=O)NC1(CC1)C 11a_100000757604_100000184570 [0,1,0,1,0,0|2,0,0]=4 11195 B10R1.181 CSCC(=O)NC1(CC1)C 1626a_100000757604_100000184570 [0,1,0,1,0,0|2,0,0]=4 11196 B10R1.181 CSCC(=O)NC1(CC1)C 240690a_100000757604_100000184570 [0,1,0,1,0,0|2,0,0]=4 11197 B10R1.181 CSCC(=O)NC1(CC1)C 527a_100000757604_100000184570 [0,1,0,1,0,0|2,0,0]=4 11198 B10R1.429 CCC(C)OC1(CCC1)C 34a_100000759064_100011215416 [0,1,0,1,0,0|1,0,1]=4 11199 B10R1.429 CCC(C)OC1(CCC1)C 7a_100000759064_100000758301 [0,1,0,1,0,0|1,0,1]=4 11200 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 2230a_100016994881_200000210301 [0,1,0,1,0,0|2,0,0]=4 11201 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 269982a_100016994881_200000210301 [0,1,0,1,0,0|2,0,0]=4 11202 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 34a_100016994881_200000210301 [0,1,0,1,0,0|2,0,0]=4 11203 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 2230a_100016994881_200025704644 [0,1,0,1,0,0|2,0,0]=4 11204 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 269982a_100016994881_200025704644 [0,1,0,1,0,0|2,0,0]=4 11205 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 34a_100016994881_200025704644 [0,1,0,1,0,0|2,0,0]=4 11206 B10R1.140 C=C1CC(C1)C(=O)CCC 1458a_100000065620_100000210303 [0,1,0,1,0,0|1,0,1]=4 11207 B10R1.140 CC1CC(C1)C(=O)CCF 1458a_100000686124_100011217306 [0,1,0,1,0,0|2,0,0]=4 11208 B10R1.140 CC1CC(C1)C(=O)CCO 1458a_100000686124_100000211926 [0,1,0,1,0,0|2,0,0]=4 11209 B10R1.140 CC1CN(C1)C(=O)CCO 240690a_100000702820_100011216618 [0,1,0,1,0,0|2,0,0]=4 11210 B10R1.140 CCCC(=O)C1CC(C1)C 1458a_100000686124_100000210303 [0,1,0,1,0,0|1,0,0]=3 11211 B10R1.140 CCCC(=O)C1CC(C1)F 1458a_100000062598_100000210303 [0,1,0,1,0,0|1,0,0]=3 11212 B10R1.140 CCCC(=O)C1CN(C1)C 1458a_100012002723_100000210303 [0,1,0,1,0,0|2,0,0]=4 11213 B10R1.140 CCCC(=O)N1CC(C1)C 11a_100000702820_100000211992 [0,1,0,1,0,0|1,0,0]=3 11214 B10R1.140 CCCC(=O)N1CC(C1)C 240690a_100000702820_100000211992 [0,1,0,1,0,0|1,0,0]=3 11215 B10R1.140 CCCC(=O)N1CC(C1)C 527a_100000702820_100000211992 [0,1,0,1,0,0|1,0,0]=3 11216 B10R1.140 CCCC(=O)N1CC(C1)F 11a_100000690557_100000211992 [0,1,0,1,0,0|1,0,0]=3 11217 B10R1.140 CCCC(=O)N1CC(C1)F 240690a_100000690557_100000211992 [0,1,0,1,0,0|1,0,0]=3 11218 B10R1.140 CCCC(=O)N1CC(C1)F 527a_100000690557_100000211992 [0,1,0,1,0,0|1,0,0]=3 11219 B10R1.140 CCCC(=O)N1CC(C1)O 11a_100000749847_100000211992 [0,1,0,1,0,0|1,0,0]=3 11220 B10R1.140 CCCC(=O)N1CC(C1)O 240690a_100000749847_100000211992 [0,1,0,1,0,0|1,0,0]=3 11221 B10R1.140 CCCC(=O)N1CC(C1)O 527a_100000749847_100000211992 [0,1,0,1,0,0|1,0,0]=3 11222 B10R1.140 CCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210303 [0,1,0,1,0,0|1,0,0]=3 11223 B10R1.140 CCNC(=O)C1CC(C1)C 11a_100015525214_100000686124 [0,1,0,1,0,0|2,0,0]=4 11224 B10R1.140 CCNC(=O)C1CC(C1)C 240690a_100015525214_100000686124 [0,1,0,1,0,0|2,0,0]=4 11225 B10R1.140 CCNC(=O)C1CC(C1)C 527a_100015525214_100000686124 [0,1,0,1,0,0|2,0,0]=4 11226 B10R1.140 CCNC(=O)C1CC(C1)F 11a_100015525214_100000062598 [0,1,0,1,0,0|2,0,0]=4 11227 B10R1.140 CCNC(=O)C1CC(C1)F 240690a_100015525214_100000062598 [0,1,0,1,0,0|2,0,0]=4 11228 B10R1.140 CCNC(=O)C1CC(C1)F 527a_100015525214_100000062598 [0,1,0,1,0,0|2,0,0]=4 11229 B10R1.140 CCNC(=O)N1CC(C1)C 2708a_100015525214_100000702820 [0,1,0,1,0,0|2,0,0]=4 11230 B10R1.140 CCNC(=O)N1CC(C1)C 273464a_100015525214_100000702820 [0,1,0,1,0,0|2,0,0]=4 11231 B10R1.140 CCNC(=O)N1CC(C1)F 2708a_100015525214_100000690557 [0,1,0,1,0,0|2,0,0]=4 11232 B10R1.140 CCNC(=O)N1CC(C1)F 273464a_100015525214_100000690557 [0,1,0,1,0,0|2,0,0]=4 11233 B10R1.140 CCNC(=O)N1CC(C1)O 2708a_100015525214_100000749847 [0,1,0,1,0,0|2,0,0]=4 11234 B10R1.140 CCNC(=O)N1CC(C1)O 273464a_100015525214_100000749847 [0,1,0,1,0,0|2,0,0]=4 11235 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 240690a_100015525214_100015266633 [0,1,0,1,0,0|2,0,0]=4 11236 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 527a_100015525214_100015266633 [0,1,0,1,0,0|2,0,0]=4 11237 B10R1.140 CNCC(=O)N1CC(C1)O 2230a_106832991635_100013143841 [0,1,0,1,0,0|2,0,0]=4 11238 B10R1.140 CNCC(=O)N1CC(C1)O 34a_100102657272_100013143841 [0,1,0,1,0,0|2,0,0]=4 11239 B10R1.140 CNCC(=O)N1CC(C1)O 7a_106832991635_100013143841 [0,1,0,1,0,0|2,0,0]=4 11240 B10R1.140 COCC(=O)N1CC(C1)C 11a_100000702820_100000210968 [0,1,0,1,0,0|2,0,0]=4 11241 B10R1.140 COCC(=O)N1CC(C1)C 240690a_100000702820_100000210968 [0,1,0,1,0,0|2,0,0]=4 11242 B10R1.140 COCC(=O)N1CC(C1)C 527a_100000702820_100000210968 [0,1,0,1,0,0|2,0,0]=4 11243 B10R1.140 COCC(=O)N1CC(C1)F 11a_100000690557_100000210968 [0,1,0,1,0,0|2,0,0]=4 11244 B10R1.140 COCC(=O)N1CC(C1)F 240690a_100000690557_100000210968 [0,1,0,1,0,0|2,0,0]=4 11245 B10R1.140 COCC(=O)N1CC(C1)F 527a_100000690557_100000210968 [0,1,0,1,0,0|2,0,0]=4 11246 B10R1.140 COCC(=O)N1CC(C1)O 11a_100000749847_100000210968 [0,1,0,1,0,0|2,0,0]=4 11247 B10R1.140 COCC(=O)N1CC(C1)O 240690a_100000749847_100000210968 [0,1,0,1,0,0|2,0,0]=4 11248 B10R1.140 COCC(=O)N1CC(C1)O 34a_100138415774_100013143841 [0,1,0,1,0,0|2,0,0]=4 11249 B10R1.140 COCC(=O)N1CC(C1)O 527a_100000749847_100000210968 [0,1,0,1,0,0|2,0,0]=4 11250 B10R1.140 CSCC(=O)N1CC(C1)C 11a_100000702820_100000184570 [0,1,0,1,0,0|2,0,0]=4 11251 B10R1.140 CSCC(=O)N1CC(C1)C 240690a_100000702820_100000184570 [0,1,0,1,0,0|2,0,0]=4 11252 B10R1.140 CSCC(=O)N1CC(C1)C 527a_100000702820_100000184570 [0,1,0,1,0,0|2,0,0]=4 11253 B10R1.140 CSCC(=O)N1CC(C1)F 11a_100000690557_100000184570 [0,1,0,1,0,0|2,0,0]=4 11254 B10R1.140 CSCC(=O)N1CC(C1)F 240690a_100000690557_100000184570 [0,1,0,1,0,0|2,0,0]=4 11255 B10R1.140 CSCC(=O)N1CC(C1)F 527a_100000690557_100000184570 [0,1,0,1,0,0|2,0,0]=4 11256 B10R1.140 CSCC(=O)N1CC(C1)O 11a_100000749847_100000184570 [0,1,0,1,0,0|2,0,0]=4 11257 B10R1.140 CSCC(=O)N1CC(C1)O 240690a_100000749847_100000184570 [0,1,0,1,0,0|2,0,0]=4 11258 B10R1.140 CSCC(=O)N1CC(C1)O 527a_100000749847_100000184570 [0,1,0,1,0,0|2,0,0]=4 11259 B10R1.140 CSCC(=O)N1CC(C1)O 62a_100013143841_200000210301 [0,1,0,1,0,0|2,0,0]=4 11260 B10R1.140 O=C(CCF)C1CC(C1)F 1458a_100000062598_100011217306 [0,1,0,1,0,0|2,0,0]=4 11261 B10R1.140 O=C(CCF)[C@H]1C[C@H](C1)O 1458a_100015266633_100011217306 [0,1,0,1,0,0|2,0,0]=4 11262 B10R1.140 O=C(CCO)C1CC(C1)F 1458a_100000062598_100000211926 [0,1,0,1,0,0|2,0,0]=4 11263 B10R1.140 O=C(CCO)N1CC(C1)F 240690a_100000690557_100011216618 [0,1,0,1,0,0|2,0,0]=4 11264 B10R1.140 O=C(CCO)N1CC(C1)O 240690a_100000749847_100011216618 [0,1,0,1,0,0|2,0,0]=4 11265 B10R1.140 O=C(CCO)[C@H]1C[C@H](C1)O 1458a_100015266633_100000211926 [0,1,0,1,0,0|2,0,0]=4 11266 B10R1.140 [13CH3]SCC(=O)N1CC(C1)O 62a_100013143841_200025704644 [0,1,0,1,0,0|2,0,0]=4 11267 B10R1.212 CC(CCO)C(=O)C1CC1 1458a_100000210395_100009893172 [0,1,0,1,0,0|2,0,0]=4 11268 B10R1.212 CCCC(=O)N(C)C1CC1 11a_100000226674_100000211992 [0,1,0,1,0,0|1,0,0]=3 11269 B10R1.212 CCCC(=O)N(C)C1CC1 1626a_100000226674_100000211992 [0,1,0,1,0,0|1,0,0]=3 11270 B10R1.212 CCCC(=O)N(C)C1CC1 240690a_100000226674_100000211992 [0,1,0,1,0,0|1,0,0]=3 11271 B10R1.212 CCCC(=O)N(C)C1CC1 527a_100000226674_100000211992 [0,1,0,1,0,0|1,0,0]=3 11272 B10R1.212 CCCC(C)C(=O)C1CC1 1458a_100000210395_100000766640 [0,1,0,1,0,0|1,0,0]=3 11273 B10R1.212 CCCC(C)C(=O)C1CO1 1458a_100000701028_100000766640 [0,1,0,1,0,0|2,0,0]=4 11274 B10R1.212 CCCN(C)C(=O)C1CC1 11a_100000747261_100000210395 [0,1,0,1,0,0|1,0,0]=3 11275 B10R1.212 CCCN(C)C(=O)C1CC1 1626a_100000747261_100000210395 [0,1,0,1,0,0|1,0,0]=3 11276 B10R1.212 CCCN(C)C(=O)C1CC1 240690a_100000747261_100000210395 [0,1,0,1,0,0|1,0,0]=3 11277 B10R1.212 CCCN(C)C(=O)C1CC1 527a_100000747261_100000210395 [0,1,0,1,0,0|1,0,0]=3 11278 B10R1.212 CCCN(C)C(=O)C1CO1 11a_100000747261_100000701028 [0,1,0,1,0,0|2,0,0]=4 11279 B10R1.212 CCCN(C)C(=O)C1CO1 1626a_100000747261_100000701028 [0,1,0,1,0,0|2,0,0]=4 11280 B10R1.212 CCCN(C)C(=O)C1CO1 240690a_100000747261_100000701028 [0,1,0,1,0,0|2,0,0]=4 11281 B10R1.212 CCCN(C)C(=O)C1CO1 527a_100000747261_100000701028 [0,1,0,1,0,0|2,0,0]=4 11282 B10R1.212 CCNC(=O)N(C)C1CC1 2708a_100015525214_100000226674 [0,1,0,1,0,0|2,0,0]=4 11283 B10R1.212 CCNC(=O)N(C)C1CC1 273464a_100015525214_100000226674 [0,1,0,1,0,0|2,0,0]=4 11284 B10R1.212 CN(C(=O)CCO)C1CC1 240690a_100000226674_100011216618 [0,1,0,1,0,0|2,0,0]=4 11285 B10R1.212 CN(CCO)C(=O)C1CC1 240690a_100000210263_100000210395 [0,1,0,1,0,0|2,0,0]=4 11286 B10R1.212 CN(CCO)C(=O)C1CC1 527a_100000210263_100000210395 [0,1,0,1,0,0|2,0,0]=4 11287 B10R1.212 COCC(=O)N(C)C1CC1 11a_100000226674_100000210968 [0,1,0,1,0,0|2,0,0]=4 11288 B10R1.212 COCC(=O)N(C)C1CC1 1626a_100000226674_100000210968 [0,1,0,1,0,0|2,0,0]=4 11289 B10R1.212 COCC(=O)N(C)C1CC1 240690a_100000226674_100000210968 [0,1,0,1,0,0|2,0,0]=4 11290 B10R1.212 COCC(=O)N(C)C1CC1 527a_100000226674_100000210968 [0,1,0,1,0,0|2,0,0]=4 11291 B10R1.212 COCC(C)C(=O)C1CC1 1458a_100000210395_100000765312 [0,1,0,1,0,0|2,0,0]=4 11292 B10R1.212 CSCC(=O)N(C)C1CC1 11a_100000226674_100000184570 [0,1,0,1,0,0|2,0,0]=4 11293 B10R1.212 CSCC(=O)N(C)C1CC1 1626a_100000226674_100000184570 [0,1,0,1,0,0|2,0,0]=4 11294 B10R1.212 CSCC(=O)N(C)C1CC1 240690a_100000226674_100000184570 [0,1,0,1,0,0|2,0,0]=4 11295 B10R1.212 CSCC(=O)N(C)C1CC1 527a_100000226674_100000184570 [0,1,0,1,0,0|2,0,0]=4 11296 B10R1.401 CC1(CCC1)C(=O)CCF 1458a_100000684636_100011217306 [0,1,0,1,0,0|2,0,0]=4 11297 B10R1.401 CC1(CCC1)C(=O)CCO 1458a_100000684636_100000211926 [0,1,0,1,0,0|2,0,0]=4 11298 B10R1.401 CCCC(=O)C1(CCC1)C 1458a_100000684636_100000210303 [0,1,0,1,0,0|1,0,0]=3 11299 B10R1.401 CCCC(=O)C1(CCC1)O 1458a_100000242746_100000210303 [0,1,0,1,0,0|1,0,0]=3 11300 B10R1.401 CCCC(=O)C1(COC1)C 1458a_100000094709_100000210303 [0,1,0,1,0,0|2,0,0]=4 11301 B10R1.401 CCCC(=O)C1(COC1)O 1458a_100010273515_100000210303 [0,1,0,1,0,0|2,0,0]=4 11302 B10R1.401 CCNC(=O)C1(CCC1)C 11a_100015525214_100000684636 [0,1,0,1,0,0|2,0,0]=4 11303 B10R1.401 CCNC(=O)C1(CCC1)C 240690a_100015525214_100000684636 [0,1,0,1,0,0|2,0,0]=4 11304 B10R1.401 CCNC(=O)C1(CCC1)C 527a_100015525214_100000684636 [0,1,0,1,0,0|2,0,0]=4 11305 B10R1.401 CCNC(=O)C1(CCC1)O 240690a_100015525214_100000242746 [0,1,0,1,0,0|2,0,0]=4 11306 B10R1.401 O=C(CCF)C1(CCC1)O 1458a_100000242746_100011217306 [0,1,0,1,0,0|2,0,0]=4 11307 B10R1.401 O=C(CCO)C1(CCC1)O 1458a_100000242746_100000211926 [0,1,0,1,0,0|2,0,0]=4 11308 B10R1.69 C#CC(CCC)OC1CC1 34a_200011217317_100000211595 [0,1,0,1,0,0|1,0,1]=4 11309 B10R1.69 C=CC(CCC)OC1CC1 34a_100011216692_100000211595 [0,1,0,1,0,0|1,0,1]=4 11310 B10R1.69 CCCC(C#N)OC1CC1 34a_100000686963_100000211595 [0,1,0,1,0,0|1,0,1]=4 11311 B10R1.69 CCCC(CC)OC1CC1 34a_100000687864_100000211595 [0,1,0,1,0,0|1,0,1]=4 11312 B10R1.195 CCCOC(CC)C1CC1 34a_100011351122_100000210303 [0,1,0,1,0,0|1,0,1]=4 11313 B10R1.195 CCCOC(CC)C1CC1 7a_100011351122_100000210303 [0,1,0,1,0,0|1,0,1]=4 11314 B10R1.195 CCCOC(CN)C1CC1 34a_100000751198_100000210303 [0,1,0,1,0,0|1,0,1]=4 11315 B10R1.43 CC1(COC(=O)[C@@H]1O[13CH3])C 34a_100009815050_200025704644 [0,1,0,1,0,0|1,0,0]=3 11316 B10R1.43 CC1(COC(=O)[C@@H]1O[13CH3])C 7a_100009815050_200025704644 [0,1,0,1,0,0|1,0,0]=3 11317 B10R1.43 CO[C@H]1C(=O)OCC1(C)C 34a_100009815050_200000210301 [0,1,0,1,0,0|1,0,0]=3 11318 B10R1.43 CO[C@H]1C(=O)OCC1(C)C 7a_100009815050_200000210301 [0,1,0,1,0,0|1,0,0]=3 11319 B10R1.64 CC(=O)CN1CCCC1=O 1458a_100000189602_200000210301 [0,1,0,1,0,0|1,0,1]=4 11320 B10R1.64 CC(C)NC1CCCC1=O 2230a_100138425928_100000211823 [0,1,0,1,0,0|2,0,0]=4 11321 B10R1.64 CC(C)NC1CCCC1=O 34a_100138425928_100000709159 [0,1,0,1,0,0|2,0,0]=4 11322 B10R1.64 CC(C)OC1CCCC1=O 34a_100000212225_100000709159 [0,1,0,1,0,0|2,0,0]=4 11323 B10R1.64 CC(C)OC1CCCC1=O 34a_200000719330_100000210206 [0,1,0,1,0,0|2,0,0]=4 11324 B10R1.64 CC(C)SC1CCCC1=O 62a_100000210206_100000211823 [0,1,0,1,0,0|2,0,0]=4 11325 B10R1.64 CC(C)SC1CCCC1=O 62a_100000211823_100000210206 [0,1,0,1,0,0|2,0,0]=4 11326 B10R1.64 CN(C)CN1CCCC1=O 269982a_100102631434_100000026320 [0,1,0,1,0,0|2,0,0]=4 11327 B10R1.64 [13CH3]C(=O)CN1CCCC1=O 1458a_100000189602_200025704644 [0,1,0,1,0,0|1,0,1]=4 11328 B10R1.66 CC(Br)COC1CCCC1 34a_100012180447_100000179811 [0,1,0,1,0,0|1,0,1]=4 11329 B10R1.66 CC(C)COC1CCCC1 34a_100000210257_100000179811 [0,1,0,1,0,0|1,0,1]=4 11330 B10R1.66 CC(C)COC1CCCC1 34a_100000210269_100000210624 [0,1,0,1,0,0|1,0,1]=4 11331 B10R1.66 CC(C)COC1CCCC1 7a_100000210269_100000210760 [0,1,0,1,0,0|1,0,1]=4 11332 B10R1.66 CC(C)COC1CCCO1 34a_100000085407_100000210624 [0,1,0,1,0,0|0,0,2]=4 11333 B10R1.66 CC(F)COC1CCCC1 34a_100015925927_100000179811 [0,1,0,1,0,0|1,0,1]=4 11334 B10R1.66 CC(O)COC1CCCC1 34a_100000210269_100011218427 [0,1,0,1,0,0|1,0,1]=4 11335 B10R1.66 CC(O)COC1CCCC1 7a_100000210269_100011218427 [0,1,0,1,0,0|1,0,1]=4 11336 B10R1.66 CC(O)COC1CCCO1 34a_100000085407_100011218427 [0,1,0,1,0,0|0,0,2]=4 11337 B10R1.66 C[C@@H](Cl)COC1CCCC1 34a_100016084084_100000179811 [0,1,0,1,0,0|1,0,1]=4 11338 B10R1.66 C[C@@H](N)COC1CCCC1 34a_100000737577_100000179811 [0,1,0,1,0,0|1,0,1]=4 11339 B10R1.66 C[C@@H](O)COC1CCCC1 34a_100000210269_100009817552 [0,1,0,1,0,0|1,0,1]=4 11340 B10R1.66 C[C@@H](O)COC1CCCC1 7a_100000210269_100009817552 [0,1,0,1,0,0|1,0,1]=4 11341 B10R1.66 C[C@@H](O)COC1CCCO1 34a_100000085407_100009817552 [0,1,0,1,0,0|0,0,2]=4 11342 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,1,0,1,0,0|1,0,1]=4 11343 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,1,0,1,0,0|1,0,1]=4 11344 B10R1.211 C=C(C)CCC(=O)C1CC1 1458a_100000210395_100000730704 [0,1,0,1,0,0|1,0,1]=4 11345 B10R1.211 C=C(C)CNC(=O)C1CC1 11a_100000765925_100000210395 [0,1,0,1,0,0|1,0,1]=4 11346 B10R1.211 C=C(C)CNC(=O)C1CC1 1626a_100000765925_100000210395 [0,1,0,1,0,0|1,0,1]=4 11347 B10R1.211 C=C(C)CNC(=O)C1CC1 240690a_100000765925_100000210395 [0,1,0,1,0,0|1,0,1]=4 11348 B10R1.211 C=C(C)CNC(=O)C1CC1 527a_100000765925_100000210395 [0,1,0,1,0,0|1,0,1]=4 11349 B10R1.211 CC(=O)COC(=O)C1CC1 1458a_100000070787_100000140896 [0,1,0,1,0,0|0,0,1]=3 11350 B10R1.211 CC(C)CCC(=O)C1CC1 1458a_100000210395_100000210312 [0,1,0,1,0,0|1,0,0]=3 11351 B10R1.211 CC(C)CCC(=O)C1CO1 1458a_100000701028_100000210312 [0,1,0,1,0,0|2,0,0]=4 11352 B10R1.211 CC(C)CNC(=O)C1CC1 11a_100000210953_100000210395 [0,1,0,1,0,0|1,0,0]=3 11353 B10R1.211 CC(C)CNC(=O)C1CC1 1626a_100000210953_100000210395 [0,1,0,1,0,0|1,0,0]=3 11354 B10R1.211 CC(C)CNC(=O)C1CC1 240690a_100000210953_100000210395 [0,1,0,1,0,0|1,0,0]=3 11355 B10R1.211 CC(C)CNC(=O)C1CC1 527a_100000210953_100000210395 [0,1,0,1,0,0|1,0,0]=3 11356 B10R1.211 CC(C)CNC(=O)C1CO1 11a_100000210953_100000701028 [0,1,0,1,0,0|2,0,0]=4 11357 B10R1.211 CC(C)CNC(=O)C1CO1 1626a_100000210953_100000701028 [0,1,0,1,0,0|2,0,0]=4 11358 B10R1.211 CC(C)CNC(=O)C1CO1 240690a_100000210953_100000701028 [0,1,0,1,0,0|2,0,0]=4 11359 B10R1.211 CC(C)CNC(=O)C1CO1 527a_100000210953_100000701028 [0,1,0,1,0,0|2,0,0]=4 11360 B10R1.211 CC(C)COC(C)C1CC1 34a_100000744524_100000210624 [0,1,0,1,0,0|1,0,1]=4 11361 B10R1.211 CC(C)COC(C)C1CC1 7a_100000744524_100000210760 [0,1,0,1,0,0|1,0,1]=4 11362 B10R1.211 CC(C)NCC(=O)C1CC1 2230a_100138425928_100000746382 [0,1,0,1,0,0|2,0,0]=4 11363 B10R1.211 CC(C)NCC(=O)C1CC1 34a_100138425928_100000746382 [0,1,0,1,0,0|2,0,0]=4 11364 B10R1.211 CC(C)NNC(=O)C1CC1 22a_100000741168_100000210395 [0,1,0,1,0,0|2,0,0]=4 11365 B10R1.211 CC(C)OCC(=O)C1CC1 34a_100000212225_100000746382 [0,1,0,1,0,0|2,0,0]=4 11366 B10R1.211 CC(C)OCC(=O)C1CC1 34a_100000686663_100000210206 [0,1,0,1,0,0|2,0,0]=4 11367 B10R1.211 CC(C)SCC(=O)C1CC1 62a_100000210206_100000746382 [0,1,0,1,0,0|2,0,0]=4 11368 B10R1.211 CC(C)SCC(=O)C1CC1 62a_100000746382_100000210206 [0,1,0,1,0,0|2,0,0]=4 11369 B10R1.211 CC(O)CCC(=O)C1CC1 1458a_100000210395_100012276601 [0,1,0,1,0,0|1,0,0]=3 11370 B10R1.211 CC(O)CCC(=O)C1CO1 1458a_100000701028_100012276601 [0,1,0,1,0,0|2,0,0]=4 11371 B10R1.211 CC(O)CNC(=O)C1CC1 11a_100000210904_100000210395 [0,1,0,1,0,0|1,0,0]=3 11372 B10R1.211 CC(O)CNC(=O)C1CC1 240690a_100000210904_100000210395 [0,1,0,1,0,0|1,0,0]=3 11373 B10R1.211 CC(O)CNC(=O)C1CC1 527a_100000210904_100000210395 [0,1,0,1,0,0|1,0,0]=3 11374 B10R1.211 CC(O)CNC(=O)C1CO1 11a_100000210904_100000701028 [0,1,0,1,0,0|2,0,0]=4 11375 B10R1.211 CC(O)CNC(=O)C1CO1 240690a_100000210904_100000701028 [0,1,0,1,0,0|2,0,0]=4 11376 B10R1.211 CC(O)CNC(=O)C1CO1 527a_100000210904_100000701028 [0,1,0,1,0,0|2,0,0]=4 11377 B10R1.211 CC(O)COC(C)C1CC1 34a_100000744524_100011218427 [0,1,0,1,0,0|1,0,1]=4 11378 B10R1.211 CC(O)COC(C)C1CC1 7a_100000744524_100011218427 [0,1,0,1,0,0|1,0,1]=4 11379 B10R1.211 CC(OC[C@@H](C)O)C1CC1 34a_100000744524_100009817552 [0,1,0,1,0,0|1,0,1]=4 11380 B10R1.211 CC(OC[C@@H](C)O)C1CC1 7a_100000744524_100009817552 [0,1,0,1,0,0|1,0,1]=4 11381 B10R1.211 CN(C)COC(=O)C1CC1 2230a_100102631434_100000140896 [0,1,0,1,0,0|1,0,0]=3 11382 B10R1.211 CN(C)COC(=O)C1CC1 269982a_100102631434_100000140896 [0,1,0,1,0,0|1,0,0]=3 11383 B10R1.211 O=C(NCC(F)F)C1CC1 11a_100000765723_100000210395 [0,1,0,1,0,0|2,0,0]=4 11384 B10R1.211 O=C(NCC(F)F)C1CC1 1626a_100000765723_100000210395 [0,1,0,1,0,0|2,0,0]=4 11385 B10R1.211 O=C(NCC(F)F)C1CC1 240690a_100000765723_100000210395 [0,1,0,1,0,0|2,0,0]=4 11386 B10R1.211 O=C(NCC(F)F)C1CC1 527a_100000765723_100000210395 [0,1,0,1,0,0|2,0,0]=4 11387 B10R1.353 CC(C)COC1(CCC1)C 34a_100000759064_100000210624 [0,1,0,1,0,0|1,0,1]=4 11388 B10R1.353 CC(C)COC1(CCC1)C 7a_100000759064_100000210760 [0,1,0,1,0,0|1,0,1]=4 11389 B10R1.353 CC(O)COC1(CCC1)C 34a_100000759064_100011218427 [0,1,0,1,0,0|1,0,1]=4 11390 B10R1.353 CC(O)COC1(CCC1)C 7a_100000759064_100011218427 [0,1,0,1,0,0|1,0,1]=4 11391 B10R1.353 C[C@@H](O)COC1(CCC1)C 34a_100000759064_100009817552 [0,1,0,1,0,0|1,0,1]=4 11392 B10R1.353 C[C@@H](O)COC1(CCC1)C 7a_100000759064_100009817552 [0,1,0,1,0,0|1,0,1]=4 11393 B10R1.400 CC1(C[C@@H]1C(=O)CCF)C 1458a_100000692687_100011217306 [0,1,0,1,0,0|2,0,0]=4 11394 B10R1.400 CC1(C[C@@H]1C(=O)CCO)C 1458a_100000692687_100000211926 [0,1,0,1,0,0|2,0,0]=4 11395 B10R1.400 CCCC(=O)C1CC1(F)F 1458a_100000042250_100000210303 [0,1,0,1,0,0|2,0,0]=4 11396 B10R1.400 CCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210303 [0,1,0,1,0,0|1,0,0]=3 11397 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 11a_100015525214_100000692687 [0,1,0,1,0,0|2,0,0]=4 11398 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 240690a_100015525214_100000692687 [0,1,0,1,0,0|2,0,0]=4 11399 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 527a_100015525214_100000692687 [0,1,0,1,0,0|2,0,0]=4 11400 B10R1.200 CCCS(=O)(=O)N1CCC1 270084a_100000754969_100000211391 [0,1,0,1,0,0|2,0,0]=4 11401 B10R1.200 CCCS(=O)(=O)N1CCC1 274078a_100000754969_100000211391 [0,1,0,1,0,0|2,0,0]=4 11402 B10R1.200 CCCS(=O)(=O)N1CCC1 40a_100000754969_100000054278 [0,1,0,1,0,0|2,0,0]=4 11403 B10R1.202 CCCS(=O)(=O)NC1CC1 270084a_100000212008_100000211391 [0,1,0,1,0,0|2,0,0]=4 11404 B10R1.202 CCCS(=O)(=O)NC1CC1 274078a_100000212008_100000211391 [0,1,0,1,0,0|2,0,0]=4 11405 B10R1.265 CCCNS(=O)(=O)C1CC1 270084a_100020643023_100000750908 [0,1,0,1,0,0|2,0,0]=4 11406 B10R1.265 CCCNS(=O)(=O)C1CC1 274078a_100020643023_100000750908 [0,1,0,1,0,0|2,0,0]=4 11407 B10R2.193 C1CCC(C1)OC2CC2 34a_100000210269_100000211595 [0,0,0,2,0,0|1,0,1]=4 11408 B10R2.193 C1COC(C1)OC2CC2 34a_100000085407_100000211595 [0,0,0,2,0,0|0,0,2]=4 11409 B10R2.406 O=C(C1CC1)C2COC2 1458a_100000210395_100000687716 [0,0,0,2,0,0|2,0,0]=4 11410 B10R2.406 O=C(C1CC1)N2CCC2 11a_100000754969_100000210395 [0,0,0,2,0,0|1,0,0]=3 11411 B10R2.406 O=C(C1CC1)N2CCC2 240690a_100000754969_100000210395 [0,0,0,2,0,0|1,0,0]=3 11412 B10R2.406 O=C(C1CC1)N2CCC2 527a_100000754969_100000210395 [0,0,0,2,0,0|1,0,0]=3 11413 B10R2.406 O=C(C1CCC1)C2CC2 1458a_100000210395_100000749161 [0,0,0,2,0,0|1,0,0]=3 11414 B10R2.406 O=C(C1CCC1)C2CO2 1458a_100000701028_100000749161 [0,0,0,2,0,0|2,0,0]=4 11415 B10R2.406 O=C(C1CO1)N2CCC2 11a_100000754969_100000701028 [0,0,0,2,0,0|2,0,0]=4 11416 B10R2.406 O=C(C1CO1)N2CCC2 240690a_100000754969_100000701028 [0,0,0,2,0,0|2,0,0]=4 11417 B10R2.406 O=C(C1CO1)N2CCC2 527a_100000754969_100000701028 [0,0,0,2,0,0|2,0,0]=4 11418 B10R2.485 CC(OC1CC1)C2CC2 34a_100000744524_100000211595 [0,0,0,2,0,0|1,0,1]=4 11419 B10R2.485 O=C(CC1CC1)C2CC2 1458a_100000210395_100000742324 [0,0,0,2,0,0|1,0,0]=3 11420 B10R2.485 O=C(CC1CC1)C2CO2 1458a_100000701028_100000742324 [0,0,0,2,0,0|2,0,0]=4 11421 B10R2.485 O=C(CC1CO1)C2CC2 1458a_100000210395_100011216344 [0,0,0,2,0,0|2,0,0]=4 11422 B10R2.485 O=C(CC1CS1)C2CC2 1458a_100000210395_100000031435 [0,0,0,2,0,0|2,0,0]=4 11423 B10R2.485 O=C(C[C@@H]1CO1)C2CC2 1458a_100000210395_100000745022 [0,0,0,2,0,0|2,0,0]=4 11424 B10R2.485 O=C(NC1CC1)C2CC2 1626a_100000212008_100000210395 [0,0,0,2,0,0|1,0,0]=3 11425 B10R2.485 O=C(NC1CC1)C2CC2 240690a_100000212008_100000210395 [0,0,0,2,0,0|1,0,0]=3 11426 B10R2.485 O=C(NC1CC1)C2CC2 527a_100000212008_100000210395 [0,0,0,2,0,0|1,0,0]=3 11427 B10R2.485 O=C(NC1CC1)C2CO2 1626a_100000212008_100000701028 [0,0,0,2,0,0|2,0,0]=4 11428 B10R2.485 O=C(NC1CC1)C2CO2 240690a_100000212008_100000701028 [0,0,0,2,0,0|2,0,0]=4 11429 B10R2.485 O=C(NC1CC1)C2CO2 527a_100000212008_100000701028 [0,0,0,2,0,0|2,0,0]=4 11430 B10R2.552 CC1(CCC1)OC2CC2 34a_100000759064_100000211595 [0,0,0,2,0,0|1,0,1]=4