0 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.1 C#CCC(=O)CCOC 1458a_100000749529_100000184674 [0,0,0,0,0,0|1,1,2]=4 3 B8R0.1 C#CCC(=O)CCOC 1458a_100011220946_100000233755 [0,0,0,0,0,0|1,1,2]=4 4 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.1 C#CCCC(=O)C#CC 1458a_100000763181_100000753159 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.1 C#CCCC(=O)CCF 1458a_100000692101_100011217306 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.1 C#CCCC(=O)NNC 22a_100016993582_100000692101 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.1 C#CCNC(=O)NCC 2708a_100000212058_100015525214 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.1 C#CCNC(=O)NCC 2708a_100015525214_100000212058 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.1 C#CCNC(=O)NCC 273464a_100000212058_100015525214 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.1 C#CCNC(=O)NCC 273464a_100015525214_100000212058 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.1 C#CCNC(=O)NCC 512a_100000212058_100015525214 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.1 C#CCNC(=O)NCC 512a_100015525214_100000212058 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,0,0,0,0,0|2,0,1]=3 30 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,0,0,0,0,0|1,1,2]=4 36 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,0,0,0,0,0|1,1,2]=4 37 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,0,0,0,0,0|1,0,2]=3 38 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,0,0,0,0,0|1,0,2]=3 39 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [0,0,0,0,0,0|2,0,2]=4 40 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,0,0,0,0,0|2,0,2]=4 41 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,0,0,0,0,0|2,0,1]=3 42 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,0,0,0,0,0|2,0,1]=3 43 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,0,0,0,0,0|3,0,1]=4 48 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,0,0,0,0,0|2,0,1]=3 49 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,0,0,0,0,0|2,0,1]=3 50 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,0,0,0,0,0|2,0,1]=3 51 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,0,0,0,0,0|2,0,2]=4 53 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,0,0,0,0,0|2,0,2]=4 54 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,0,0,0,0,0|3,0,1]=4 57 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,0,0,0,0,0|3,0,1]=4 59 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,0,0,0,0,0|3,0,1]=4 60 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,0,0,0,0,0|2,0,2]=4 63 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,0,0,0,0,0|2,0,2]=4 64 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,0,0,0,0,0|2,0,2]=4 65 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,0,0,0,0,0|2,0,2]=4 66 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [0,0,0,0,0,0|2,0,2]=4 67 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [0,0,0,0,0,0|2,0,2]=4 68 B8R0.1 CC#CC(=O)CCC#N 1458a_100000763181_100011215226 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,0,0,0,0,0|2,0,1]=3 70 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,0,0,0,0,0|1,1,1]=3 73 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,0,0,0,0,0|1,0,1]=2 74 B8R0.1 CC#CCC(=O)C#CC 1458a_100000763181_100000748600 [0,0,0,0,0,0|2,0,2]=4 75 B8R0.1 CC#CCC(=O)C=CC 1458a_100000210699_100000748600 [0,0,0,0,0,0|2,0,2]=4 76 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,0,0,0,0,0|2,0,1]=3 77 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.1 CC#CCC(=O)CSC 1458a_100000184570_100000748600 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,0,0,0,0,0|2,0,2]=4 81 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [0,0,0,0,0,0|3,0,1]=4 82 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,0,0,0,0,0|2,0,1]=3 83 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,0,0,0,0,0|3,0,1]=4 84 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,0,0,0,0,0|3,0,1]=4 85 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,0,0,0,0,0|1,1,1]=3 86 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,0,0,0,0,0|1,0,1]=2 87 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,0,0,0,0,0|3,0,1]=4 88 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,0,0,0,0,0|3,0,1]=4 89 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,0,0,0,0,0|3,0,1]=4 90 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,0,0,0,0,0|2,0,2]=4 91 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,0,0,0,0,0|2,0,1]=3 92 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,0,0,0,0,0|2,0,1]=3 93 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,0,0,0,0,0|3,0,1]=4 94 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,0,0,0,0,0|3,0,1]=4 95 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,0,0,0,0,0|3,0,1]=4 96 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,0,0,0,0,0|3,0,1]=4 97 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,0,0,0,0,0|3,0,1]=4 98 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,0,0,0,0,0|2,0,1]=3 99 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,0,0,0,0,0|2,0,1]=3 100 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,0,0,0,0,0|2,0,1]=3 101 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,0,0,0,0,0|3,0,1]=4 102 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,0,0,0,0,0|4,0,0]=4 103 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,0,0,0,0,0|2,0,2]=4 104 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,0,0,0,0,0|2,0,2]=4 105 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,0,0,0,0,0|2,0,2]=4 106 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,0,0,0,0,0|2,0,2]=4 107 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,0,0,0,0,0|1,1,2]=4 108 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,0,0,0,0,0|3,0,0]=3 109 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,0,0,0,0,0|3,0,0]=3 110 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,0,0,0,0,0|3,0,0]=3 111 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,0,0,0,0,0|3,0,0]=3 112 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,0,0,0,0,0|1,1,0]=2 113 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,0,0,0,0,0|1,1,0]=2 114 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,0,0,0,0,0|1,0,0]=1 115 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,0,0,0,0,0|1,0,0]=1 116 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,0,0,0,0,0|3,0,0]=3 117 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,0,0,0,0,0|3,0,0]=3 118 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,0,0,0,0,0|3,0,0]=3 119 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,0,0,0,0,0|3,0,0]=3 120 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,0,0,0,0,0|3,0,0]=3 121 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,0,0,0,0,0|4,0,0]=4 122 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,0,0,0,0,0|4,0,0]=4 123 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [0,0,0,0,0,0|4,0,0]=4 124 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [0,0,0,0,0,0|4,0,0]=4 125 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,0,0,0,0,0|4,0,0]=4 126 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,0,0,0,0,0|4,0,0]=4 127 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,0,0,0,0,0|4,0,0]=4 128 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,0,0,0,0,0|4,0,0]=4 129 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,0,0,0,0,0|4,0,0]=4 130 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,0,0,0,0,0|4,0,0]=4 131 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,0,0,0,0,0|4,0,0]=4 132 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,0,0,0,0,0|3,0,0]=3 133 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,0,0,0,0,0|3,0,0]=3 134 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,0,0,0,0,0|2,1,0]=3 135 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,0,0,0,0,0|2,0,0]=2 136 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,0,0,0,0,0|2,0,0]=2 137 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [0,0,0,0,0,0|2,1,1]=4 138 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [0,0,0,0,0,0|2,1,1]=4 139 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [0,0,0,0,0,0|2,1,1]=4 140 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [0,0,0,0,0,0|2,1,1]=4 141 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [0,0,0,0,0,0|3,0,1]=4 142 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,0,0,0,0,0|3,0,1]=4 143 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [0,0,0,0,0,0|3,0,1]=4 144 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [0,0,0,0,0,0|3,0,1]=4 145 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,0,0,0,0,0|3,0,1]=4 146 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,0,0,0,0,0|3,0,1]=4 147 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,0,0,0,0,0|3,0,1]=4 148 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,0,0,0,0,0|3,0,1]=4 149 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,0,0,0,0,0|3,0,1]=4 150 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,0,0,0,0,0|2,0,0]=2 151 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,0,0,0,0,0|2,0,0]=2 152 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,0,0,0,0,0|3,0,0]=3 153 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,0,0,0,0,0|3,0,0]=3 154 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,0,0,0,0,0|3,0,0]=3 155 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,0,0,0,0,0|3,0,0]=3 156 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,0,0,0,0,0|3,0,0]=3 157 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,0,0,0,0,0|2,0,0]=2 158 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,0,0,0,0,0|2,0,0]=2 159 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,0,0,0,0,0|2,0,0]=2 160 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,0,0,0,0,0|3,0,0]=3 161 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,0,0,0,0,0|3,0,1]=4 162 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,0,0,0,0,0|3,0,1]=4 163 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,0,0,0,0,0|3,0,1]=4 164 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,0,0,0,0,0|2,0,1]=3 165 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,0,0,0,0,0|2,0,1]=3 166 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,0,0,0,0,0|2,0,1]=3 167 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [0,0,0,0,0,0|3,0,1]=4 168 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [0,0,0,0,0,0|3,0,1]=4 169 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,0,0,0,0,0|2,1,1]=4 170 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,0,0,0,0,0|2,1,1]=4 171 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,0,0,0,0,0|4,0,0]=4 172 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,0,0,0,0,0|4,0,0]=4 173 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,0,0,0,0,0|4,0,0]=4 174 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,0,0,0,0,0|4,0,0]=4 175 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,0,0,0,0,0|4,0,0]=4 176 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,0,0,0,0,0|4,0,0]=4 177 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,0,0,0,0,0|4,0,0]=4 178 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,0,0,0,0,0|4,0,0]=4 179 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [0,0,0,0,0,0|3,1,0]=4 180 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [0,0,0,0,0,0|3,1,0]=4 181 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [0,0,0,0,0,0|3,1,0]=4 182 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [0,0,0,0,0,0|3,1,0]=4 183 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [0,0,0,0,0,0|3,1,0]=4 184 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [0,0,0,0,0,0|3,1,0]=4 185 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,0,0,0,0,0|3,0,0]=3 186 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,0,0,0,0,0|3,0,0]=3 187 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,0,0,0,0,0|3,0,0]=3 188 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,0,0,0,0,0|3,0,0]=3 189 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [0,0,0,0,0,0|3,1,0]=4 190 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [0,0,0,0,0,0|3,1,0]=4 191 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,0,0,0,0,0|3,0,0]=3 192 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,0,0,0,0,0|3,0,0]=3 193 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,0,0,0,0,0|3,0,0]=3 194 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,0,0,0,0,0|3,0,0]=3 195 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,0,0,0,0,0|4,0,0]=4 196 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,0,0,0,0,0|4,0,0]=4 197 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,0,0,0,0,0|4,0,0]=4 198 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,0,0,0,0,0|4,0,0]=4 199 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,0,0,0,0,0|4,0,0]=4 200 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,0,0,0,0,0|4,0,0]=4 201 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,0,0,0,0,0|4,0,0]=4 202 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,0,0,0,0,0|4,0,0]=4 203 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,0,0,0,0,0|4,0,0]=4 204 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,0,0,0,0,0|4,0,0]=4 205 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,0,0,0,0,0|4,0,0]=4 206 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,0,0,0,0,0|4,0,0]=4 207 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,0,0,0,0,0|4,0,0]=4 208 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,0,0,0,0,0|4,0,0]=4 209 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,0,0,0,0,0|4,0,0]=4 210 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,0,0,0,0,0|4,0,0]=4 211 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,0,0,0,0,0|4,0,0]=4 212 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,0,0,0,0,0|4,0,0]=4 213 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,0,0,0,0,0|4,0,0]=4 214 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,0,0,0,0,0|3,0,0]=3 215 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,0,0,0,0,0|3,0,0]=3 216 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,0,0,0,0,0|3,0,0]=3 217 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,0,0,0,0,0|3,0,0]=3 218 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,0,0,0,0,0|3,0,0]=3 219 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,0,0,0,0,0|3,0,0]=3 220 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,0,0,0,0,0|4,0,0]=4 221 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,0,0,0,0,0|4,0,0]=4 222 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,0,0,0,0,0|4,0,0]=4 223 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,0,0,0,0,0|4,0,0]=4 224 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,0,0,0,0,0|4,0,0]=4 225 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,0,0,0,0,0|4,0,0]=4 226 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,0,0,0,0,0|4,0,0]=4 227 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,0,0,0,0,0|4,0,0]=4 228 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,0,0,0,0,0|4,0,0]=4 229 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,0,0,0,0,0|4,0,0]=4 230 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,0,0,0,0,0|4,0,0]=4 231 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [0,0,0,0,0,0|2,1,1]=4 232 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [0,0,0,0,0,0|2,1,1]=4 233 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,0,0,0,0,0|1,1,2]=4 234 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,0,0,0,0,0|3,0,0]=3 235 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,0,0,0,0,0|3,0,0]=3 236 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,0,0,0,0,0|3,0,0]=3 237 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,0,0,0,0,0|2,0,0]=2 238 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,0,0,0,0,0|2,0,0]=2 239 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,0,0,0,0,0|2,0,0]=2 240 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,0,0,0,0,0|2,0,0]=2 241 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,0,0,0,0,0|1,1,0]=2 242 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,0,0,0,0,0|1,1,0]=2 243 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,0,0,0,0,0|1,1,0]=2 244 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,0,0,0,0,0|1,0,0]=1 245 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,0,0,0,0,0|1,0,0]=1 246 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,0,0,0,0,0|1,0,0]=1 247 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,0,0,0,0,0|1,0,0]=1 248 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,0,0,0,0,0|1,0,0]=1 249 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,0,0,0,0,0|1,0,0]=1 250 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,0,0,0,0,0|1,0,0]=1 251 B8R0.1 CCNC(=O)CN=[N+]=[N-] 11a_100015525214_100000751907 [0,0,0,0,0,0|4,0,0]=4 252 B8R0.1 CCNC(=O)CN=[N+]=[N-] 240690a_100015525214_100000751907 [0,0,0,0,0,0|4,0,0]=4 253 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,0,0,0,0,0|3,0,0]=3 254 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,0,0,0,0,0|3,0,0]=3 255 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,0,0,0,0,0|3,0,0]=3 256 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,0,0,0,0,0|3,0,0]=3 257 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,0,0,0,0,0|3,0,0]=3 258 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,0,0,0,0,0|3,0,0]=3 259 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,0,0,0,0,0|3,0,0]=3 260 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,0,0,0,0,0|3,0,0]=3 261 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,0,0,0,0,0|3,0,0]=3 262 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,0,0,0,0,0|4,0,0]=4 263 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,0,0,0,0,0|4,0,0]=4 264 B8R0.1 CCNC(=O)NCC#N 2708a_100000734998_100015525214 [0,0,0,0,0,0|4,0,0]=4 265 B8R0.1 CCNC(=O)NCC#N 273464a_100000734998_100015525214 [0,0,0,0,0,0|4,0,0]=4 266 B8R0.1 CCNC(=O)NCC#N 273464a_100015525214_100000734998 [0,0,0,0,0,0|4,0,0]=4 267 B8R0.1 CCNC(=O)NCC#N 512a_100000734998_100015525214 [0,0,0,0,0,0|4,0,0]=4 268 B8R0.1 CCNC(=O)NCC#N 512a_100015525214_100000734998 [0,0,0,0,0,0|4,0,0]=4 269 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,0,0,0,0,0|4,0,0]=4 270 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,0,0,0,0,0|4,0,0]=4 271 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,0,0,0,0,0|4,0,0]=4 272 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,0,0,0,0,0|4,0,0]=4 273 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,0,0,0,0,0|4,0,0]=4 274 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,0,0,0,0,0|4,0,0]=4 275 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,0,0,0,0,0|4,0,0]=4 276 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,0,0,0,0,0|4,0,0]=4 277 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [0,0,0,0,0,0|2,1,1]=4 278 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,0,0,0,0,0|2,0,1]=3 279 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,0,0,0,0,0|3,0,0]=3 280 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,0,0,0,0,0|3,0,0]=3 281 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,0,0,0,0,0|4,0,0]=4 282 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,0,0,0,0,0|2,0,0]=2 283 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,0,0,0,0,0|4,0,0]=4 284 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,0,0,0,0,0|4,0,0]=4 285 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,0,0,0,0,0|4,0,0]=4 286 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,0,0,0,0,0|1,0,0]=1 287 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,0,0,0,0,0|1,0,0]=1 288 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,0,0,0,0,0|1,0,0]=1 289 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,0,0,0,0,0|0,1,0]=1 290 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,0,0,0,0,0|0,0,0]=0 291 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,0,0,0,0,0|0,0,0]=0 292 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,0,0,0,0,0|0,0,0]=0 293 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,0,0,0,0,0|0,0,0]=0 294 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,0,0,0,0,0|2,0,0]=2 295 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,0,0,0,0,0|2,0,0]=2 296 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,0,0,0,0,0|3,0,0]=3 297 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,0,0,0,0,0|3,0,0]=3 298 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,0,0,0,0,0|1,0,0]=1 299 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,0,0,0,0,0|1,0,0]=1 300 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,0,0,0,0,0|3,0,1]=4 301 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,0,0,0,0,0|3,0,1]=4 302 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,0,0,0,0,0|4,0,0]=4 303 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,0,0,0,0,0|4,0,0]=4 304 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,0,0,0,0,0|4,0,0]=4 305 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,0,0,0,0,0|4,0,0]=4 306 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,0,0,0,0,0|2,0,0]=2 307 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [0,0,0,0,0,0|3,0,1]=4 308 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [0,0,0,0,0,0|3,0,1]=4 309 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,0,0,0,0,0|4,0,0]=4 310 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,0,0,0,0,0|4,0,0]=4 311 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,0,0,0,0,0|4,0,0]=4 312 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,0,0,0,0,0|4,0,0]=4 313 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,0,0,0,0,0|4,0,0]=4 314 B8R0.1 CNNC(=O)CCC#N 22a_100016993582_100011934036 [0,0,0,0,0,0|4,0,0]=4 315 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,0,0,0,0,0|2,1,0]=3 316 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,0,0,0,0,0|2,0,0]=2 317 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,0,0,0,0,0|4,0,0]=4 318 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,0,0,0,0,0|4,0,0]=4 319 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,0,0,0,0,0|4,0,0]=4 320 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,0,0,0,0,0|2,0,0]=2 321 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [0,0,0,0,0,0|2,1,1]=4 322 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [0,0,0,0,0,0|2,1,1]=4 323 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [0,0,0,0,0,0|2,1,1]=4 324 B8R0.1 COCCC(=O)CC#N 1458a_100000749529_100011214920 [0,0,0,0,0,0|2,1,1]=4 325 B8R0.1 COCCC(=O)CC#N 1458a_100051588842_100000233755 [0,0,0,0,0,0|2,1,1]=4 326 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,0,0,0,0,0|2,1,0]=3 327 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,0,0,0,0,0|2,1,0]=3 328 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,0,0,0,0,0|2,1,0]=3 329 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,0,0,0,0,0|2,1,0]=3 330 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,0,0,0,0,0|2,1,0]=3 331 B8R0.1 COCN(C)CCSC 2230a_100000686725_100000766300 [0,0,0,0,0,0|4,0,0]=4 332 B8R0.1 COCN(C)CCSC 269982a_100000686725_100000766300 [0,0,0,0,0,0|4,0,0]=4 333 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [0,0,0,0,0,0|3,0,1]=4 334 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,0,0,0,0,0|4,0,0]=4 335 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,0,0,0,0,0|4,0,0]=4 336 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,0,0,0,0,0|4,0,0]=4 337 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,0,0,0,0,0|2,0,1]=3 338 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,0,0,0,0,0|2,0,1]=3 339 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,0,0,0,0,0|2,0,1]=3 340 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [0,0,0,0,0,0|2,0,1]=3 341 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [0,0,0,0,0,0|2,0,1]=3 342 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,0,0,0,0,0|2,0,0]=2 343 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,0,0,0,0,0|2,0,0]=2 344 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,0,0,0,0,0|2,0,0]=2 345 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,0,0,0,0,0|2,0,0]=2 346 B8R0.1 CSCCN(C)CCF 2230a_100000686725_100011217306 [0,0,0,0,0,0|4,0,0]=4 347 B8R0.1 CSCCN(C)CCF 269982a_100000686725_100011217306 [0,0,0,0,0,0|4,0,0]=4 348 B8R0.1 CSCCN(C)CCO 2230a_100000210263_100000751147 [0,0,0,0,0,0|4,0,0]=4 349 B8R0.1 CSCCN(C)CCO 2230a_100000686725_100000211926 [0,0,0,0,0,0|4,0,0]=4 350 B8R0.1 CSCCN(C)CCO 269982a_100000210263_100000212216 [0,0,0,0,0,0|4,0,0]=4 351 B8R0.1 CSCCN(C)CCO 269982a_100000686725_100000211926 [0,0,0,0,0,0|4,0,0]=4 352 B8R0.1 CSCCN(C)CSC 2230a_100000686725_100011218213 [0,0,0,0,0,0|4,0,0]=4 353 B8R0.1 CSCCN(C)CSC 269982a_100000686725_100011218213 [0,0,0,0,0,0|4,0,0]=4 354 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [0,0,0,0,0,0|3,0,1]=4 355 B8R0.1 N#CCCC(=O)CCF 1458a_100011934036_100011217306 [0,0,0,0,0,0|4,0,0]=4 356 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,0,0,0,0,0|4,0,0]=4 357 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,0,0,0,0,0|4,0,0]=4 358 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,0,0,0,0,0|4,0,0]=4 359 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,0,0,0,0,0|4,0,0]=4 360 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 361 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,0,0,0,0,0|1,0,2]=4 362 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 363 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|1,0,2]=4 364 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,0,0,0,0|1,0,2]=4 365 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,0,0,0,0|1,0,2]=4 366 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,0,0,0,0|1,0,2]=4 367 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [1,0,0,0,0,0|1,0,2]=4 368 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,0,0,0,0|2,0,0]=3 369 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,0,0,0,0|2,0,0]=3 370 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,0,0,0,0|2,0,0]=3 371 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,0,0,0,0|1,1,0]=3 372 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,0,0,0,0|1,1,0]=3 373 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,0,0,0,0|1,1,0]=3 374 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,0,0,0,0|1,1,0]=3 375 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,0,0,0,0|1,1,0]=3 376 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|1,0,0]=2 377 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|1,0,0]=2 378 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|1,0,0]=2 379 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|1,0,0]=2 380 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,0,0,0,0,0|3,0,0]=4 381 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,0,0,0,0,0|3,0,0]=4 382 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,0,0,0,0,0|3,0,0]=4 383 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,0,0,0,0,0|3,0,0]=4 384 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,0,0,0,0,0|3,0,0]=4 385 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [1,0,0,0,0,0|1,1,1]=4 386 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [1,0,0,0,0,0|1,1,1]=4 387 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [1,0,0,0,0,0|1,1,1]=4 388 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [1,0,0,0,0,0|1,1,1]=4 389 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [1,0,0,0,0,0|1,1,1]=4 390 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [1,0,0,0,0,0|1,1,1]=4 391 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,0,0,0,0,0|1,1,1]=4 392 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,0,0,0,0,0|1,1,1]=4 393 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,0,0,0,0,0|1,1,1]=4 394 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,0,0,0,0,0|1,1,1]=4 395 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|2,0,1]=4 396 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|2,0,1]=4 397 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|2,0,1]=4 398 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|2,0,1]=4 399 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|2,0,1]=4 400 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|1,1,1]=4 401 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|1,1,1]=4 402 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|1,1,1]=4 403 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|1,1,1]=4 404 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|1,1,1]=4 405 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|1,0,1]=3 406 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|1,0,1]=3 407 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|1,0,1]=3 408 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|1,0,1]=3 409 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|2,0,1]=4 410 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|2,0,1]=4 411 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|1,0,1]=3 412 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|1,0,1]=3 413 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|1,0,1]=3 414 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,0,0,0,0|2,0,1]=4 415 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,0,0,0,0|2,0,1]=4 416 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|1,1,1]=4 417 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|1,1,1]=4 418 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,0,0,0,0|3,0,0]=4 419 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,0,0,0,0|3,0,0]=4 420 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|2,0,1]=4 421 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,0,0,0,0|3,0,0]=4 422 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,0,0,0,0|3,0,0]=4 423 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,0,0,0,0|3,0,0]=4 424 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|2,0,1]=4 425 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|2,0,1]=4 426 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|2,0,1]=4 427 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|2,0,1]=4 428 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|2,0,1]=4 429 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,0,0,0,0|3,0,0]=4 430 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,0,0,0,0|3,0,0]=4 431 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|2,0,1]=4 432 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|2,0,1]=4 433 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,0,0,0,0|2,1,0]=4 434 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|2,0,0]=3 435 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,0,0,0,0|3,0,0]=4 436 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,0,0,0,0|3,0,0]=4 437 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,0,0,0,0|3,0,0]=4 438 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,0,0,0,0|3,0,0]=4 439 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,0,0,0,0|3,0,0]=4 440 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,0,0,0,0|3,0,0]=4 441 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,0,0,0,0|3,0,0]=4 442 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,0,0,0,0|2,1,0]=4 443 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,0,0,0,0|2,1,0]=4 444 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,0,0,0,0|2,1,0]=4 445 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,0,0,0,0|2,1,0]=4 446 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,0,0,0,0|2,1,0]=4 447 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,0,0,0,0|2,1,0]=4 448 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,0,0,0,0|2,1,0]=4 449 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|2,0,0]=3 450 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|2,0,0]=3 451 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|2,0,0]=3 452 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|2,0,0]=3 453 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|2,0,0]=3 454 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|2,0,0]=3 455 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|2,0,0]=3 456 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,0,0,0,0,0|3,0,0]=4 457 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,0,0,0,0,0|3,0,0]=4 458 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,0,0,0,0|2,1,0]=4 459 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,0,0,0,0|2,1,0]=4 460 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,0,0,0,0|2,1,0]=4 461 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,0,0,0,0|2,1,0]=4 462 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,0,0,0,0|2,1,0]=4 463 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,0,0,0,0|2,1,0]=4 464 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|2,0,0]=3 465 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|2,0,0]=3 466 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,0,0,0,0,0|2,0,1]=4 467 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,0,0,0,0,0|2,0,1]=4 468 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,0,0,0,0|1,1,1]=4 469 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,0,0,0,0|1,1,1]=4 470 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,0,0,0,0|1,0,1]=3 471 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,0,0,0,0,0|2,0,1]=4 472 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,0,0,0,0,0|2,0,1]=4 473 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,0,0,0,0,0|2,0,1]=4 474 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,0,0,0,0,0|2,0,1]=4 475 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,0,0,0,0,0|2,0,1]=4 476 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,0,0,0,0,0|2,0,1]=4 477 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,0,0,0,0,0|2,0,1]=4 478 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,0,0,0,0,0|2,0,1]=4 479 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,0,0,0,0,0|2,0,1]=4 480 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,0,0,0,0,0|2,0,1]=4 481 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,1]=4 482 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|2,0,1]=4 483 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|1,0,1]=3 484 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|1,0,1]=3 485 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|1,0,1]=3 486 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|1,0,1]=3 487 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|1,0,1]=3 488 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|1,0,1]=3 489 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|1,0,1]=3 490 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|1,0,1]=3 491 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|0,1,1]=3 492 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|0,1,1]=3 493 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|0,1,1]=3 494 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|0,1,1]=3 495 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|0,1,1]=3 496 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|0,1,1]=3 497 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|0,1,1]=3 498 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|0,0,1]=2 499 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|0,0,1]=2 500 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|0,0,1]=2 501 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|0,0,1]=2 502 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|0,0,1]=2 503 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|0,0,1]=2 504 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,0,0,0,0,0|2,0,1]=4 505 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,0,0,0,0,0|2,0,1]=4 506 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,0,0,0,0,0|2,0,1]=4 507 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,0,0,0,0,0|2,0,1]=4 508 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,0,0,0,0,0|2,0,1]=4 509 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,0,0,0,0,0|2,0,1]=4 510 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,0,0,0,0,0|2,0,1]=4 511 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,0,0,0,0,0|2,0,1]=4 512 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,0,0,0,0,0|1,1,1]=4 513 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,0,0,0,0,0|1,1,1]=4 514 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,0,0,0,0,0|1,0,1]=3 515 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,0,0,0,0,0|1,0,1]=3 516 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,0,0,0,0|0,2,1]=4 517 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,0,0,0,0|0,2,1]=4 518 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,0,0,0,0|0,2,1]=4 519 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,0,0,0,0|0,2,1]=4 520 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,0,0,0,0|0,2,1]=4 521 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,0,0,0,0|0,2,1]=4 522 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,0,0,0,0,0|2,0,1]=4 523 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,0,0,0,0|2,0,1]=4 524 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,0,0,0,0|2,0,1]=4 525 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,0,0,0,0|2,0,1]=4 526 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,0,0,0,0|2,0,1]=4 527 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,0,0,0,0|2,0,1]=4 528 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,0,0,0,0|2,0,1]=4 529 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,0,0,0,0,0|1,1,1]=4 530 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,0,0,0,0,0|3,0,0]=4 531 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,0,0,0,0,0|3,0,0]=4 532 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,0,0,0,0,0|3,0,0]=4 533 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|2,0,1]=4 534 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|2,0,1]=4 535 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|2,0,1]=4 536 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|2,0,1]=4 537 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,0,0,0,0|2,0,1]=4 538 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,0,0,0,0|2,0,1]=4 539 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,0,0,0,0,0|1,0,1]=3 540 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,0,0,0,0,0|1,0,1]=3 541 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [1,0,0,0,0,0|3,0,0]=4 542 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [1,0,0,0,0,0|3,0,0]=4 543 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,0,0,0,0,0|3,0,0]=4 544 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,0,0,0,0,0|3,0,0]=4 545 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,0,0,0,0,0|3,0,0]=4 546 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [1,0,0,0,0,0|3,0,0]=4 547 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [1,0,0,0,0,0|3,0,0]=4 548 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [1,0,0,0,0,0|3,0,0]=4 549 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [1,0,0,0,0,0|3,0,0]=4 550 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,0,0,0,0,0|3,0,0]=4 551 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,0,0,0,0,0|3,0,0]=4 552 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,0,0,0,0,0|3,0,0]=4 553 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,0,0,0,0,0|3,0,0]=4 554 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,0,0,0,0,0|3,0,0]=4 555 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [1,0,0,0,0,0|3,0,0]=4 556 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [1,0,0,0,0,0|3,0,0]=4 557 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [1,0,0,0,0,0|3,0,0]=4 558 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [1,0,0,0,0,0|3,0,0]=4 559 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [1,0,0,0,0,0|3,0,0]=4 560 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [1,0,0,0,0,0|3,0,0]=4 561 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [1,0,0,0,0,0|3,0,0]=4 562 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|2,0,1]=4 563 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|2,0,1]=4 564 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|2,0,1]=4 565 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|2,0,1]=4 566 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,0,0,0,0,0|3,0,0]=4 567 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,0,0,0,0,0|3,0,0]=4 568 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,0,0,0,0|1,0,2]=4 569 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [1,0,0,0,0,0|0,1,2]=4 570 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,0,0,0,0,0|0,0,2]=3 571 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,0,0,0,0,0|1,0,1]=3 572 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,0,0,0,0,0|1,0,1]=3 573 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [1,0,0,0,0,0|2,0,1]=4 574 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [1,0,0,0,0,0|2,0,1]=4 575 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [1,0,0,0,0,0|2,0,1]=4 576 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [1,0,0,0,0,0|2,0,1]=4 577 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [1,0,0,0,0,0|2,0,1]=4 578 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [1,0,0,0,0,0|2,0,1]=4 579 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [1,0,0,0,0,0|2,0,1]=4 580 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [1,0,0,0,0,0|2,0,1]=4 581 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [1,0,0,0,0,0|2,0,1]=4 582 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [1,0,0,0,0,0|2,0,1]=4 583 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,0,0,0,0|1,0,1]=3 584 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,0,0,0,0,0|2,0,1]=4 585 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|1,0,2]=4 586 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,0,0,0,0,0|0,1,2]=4 587 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,0,0,0,0,0|0,0,2]=3 588 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,0,0,0,0|1,0,1]=3 589 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,0,0,0,0|1,0,1]=3 590 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [1,0,0,0,0,0|2,0,1]=4 591 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,0,0,0,0,0|2,0,1]=4 592 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [1,0,0,0,0,0|2,0,1]=4 593 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [1,0,0,0,0,0|2,0,1]=4 594 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [1,0,0,0,0,0|2,0,1]=4 595 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [1,0,0,0,0,0|2,0,1]=4 596 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,0,0,0,0,0|2,0,1]=4 597 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,0,0,0,0,0|2,0,1]=4 598 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,0,0,0,0,0|2,0,1]=4 599 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,0,0,0,0,0|1,0,1]=3 600 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [1,0,0,0,0,0|2,0,1]=4 601 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,0,0,0,0|1,0,1]=3 602 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,0,0,0,0|1,0,1]=3 603 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [1,0,0,0,0,0|2,0,1]=4 604 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,0,0,0,0,0|2,0,1]=4 605 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,0,0,0,0,0|2,0,1]=4 606 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,0,0,0,0,0|2,0,1]=4 607 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,0,0,0,0,0|2,0,1]=4 608 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,0,0,0,0,0|2,0,1]=4 609 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,0,0,0,0,0|3,0,0]=4 610 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,0,0,0,0|1,0,2]=4 611 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,0,0,0,0|0,1,2]=4 612 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,0,0,0,0,0|2,0,0]=3 613 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,0,0,0,0,0|2,0,0]=3 614 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|2,0,0]=3 615 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|2,0,0]=3 616 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|0,1,0]=2 617 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|0,1,0]=2 618 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|0,0,0]=1 619 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|0,0,0]=1 620 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,0,0,0,0,0|3,0,0]=4 621 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,0,0,0,0,0|3,0,0]=4 622 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,0,0,0,0,0|3,0,0]=4 623 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [1,0,0,0,0,0|3,0,0]=4 624 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [1,0,0,0,0,0|3,0,0]=4 625 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,0,0,0,0|3,0,0]=4 626 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,0,0,0,0|3,0,0]=4 627 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,0,0,0,0|3,0,0]=4 628 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,0,0,0,0|3,0,0]=4 629 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,0,0,0,0|3,0,0]=4 630 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,0,0,0,0|3,0,0]=4 631 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,0,0,0,0,0|2,0,1]=4 632 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,0,0,0,0,0|2,0,1]=4 633 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,0,0,0,0,0|1,1,1]=4 634 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,0,0,0,0,0|1,1,1]=4 635 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [1,0,0,0,0,0|2,0,1]=4 636 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [1,0,0,0,0,0|2,0,1]=4 637 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [1,0,0,0,0,0|2,0,1]=4 638 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,0,0,0,0|1,0,2]=4 639 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|1,0,0]=2 640 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|1,0,0]=2 641 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|2,0,0]=3 642 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|2,0,0]=3 643 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|2,0,0]=3 644 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|2,0,0]=3 645 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|2,0,0]=3 646 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|2,0,0]=3 647 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,0,0,0,0|2,0,1]=4 648 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,0,0,0,0|2,0,1]=4 649 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,0,0,0,0|2,0,1]=4 650 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,0,0,0,0|2,0,1]=4 651 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,0,0,0,0|2,0,1]=4 652 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,0,0,0,0,0|3,0,0]=4 653 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,0,0,0,0,0|3,0,0]=4 654 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,0,0,0,0,0|3,0,0]=4 655 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,0,0,0,0,0|3,0,0]=4 656 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,0,0,0,0,0|3,0,0]=4 657 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,0,0,0,0,0|3,0,0]=4 658 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,0,0,0,0,0|3,0,0]=4 659 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,0,0,0,0,0|3,0,0]=4 660 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,0,0,0,0|2,0,0]=3 661 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,0,0,0,0|2,0,0]=3 662 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,0,0,0,0|2,0,0]=3 663 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,0,0,0,0|2,0,0]=3 664 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,0,0,0,0|3,0,0]=4 665 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,0,0,0,0|3,0,0]=4 666 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,0,0,0,0,0|3,0,0]=4 667 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,0,0,0,0,0|3,0,0]=4 668 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,0,0,0,0,0|3,0,0]=4 669 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,0,0,0,0,0|3,0,0]=4 670 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,0,0,0,0,0|3,0,0]=4 671 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,0,0,0,0,0|3,0,0]=4 672 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [1,0,0,0,0,0|2,1,0]=4 673 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [1,0,0,0,0,0|2,1,0]=4 674 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [1,0,0,0,0,0|2,1,0]=4 675 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [1,0,0,0,0,0|2,1,0]=4 676 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [1,0,0,0,0,0|2,1,0]=4 677 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [1,0,0,0,0,0|2,1,0]=4 678 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [1,0,0,0,0,0|2,0,0]=3 679 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [1,0,0,0,0,0|2,0,0]=3 680 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [1,0,0,0,0,0|2,0,0]=3 681 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [1,0,0,0,0,0|2,0,0]=3 682 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [1,0,0,0,0,0|2,1,0]=4 683 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [1,0,0,0,0,0|2,1,0]=4 684 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,0,0,0,0,0|3,0,0]=4 685 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,0,0,0,0,0|3,0,0]=4 686 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,0,0,0,0|2,0,0]=3 687 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,0,0,0,0|3,0,0]=4 688 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|2,0,0]=3 689 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|2,0,0]=3 690 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,0,0,0,0,0|3,0,0]=4 691 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,0,0,0,0,0|3,0,0]=4 692 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,0,0,0,0,0|3,0,0]=4 693 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,0,0,0,0,0|3,0,0]=4 694 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,0,0,0,0,0|3,0,0]=4 695 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,0,0,0,0,0|3,0,0]=4 696 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,0,0,0,0,0|3,0,0]=4 697 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,0,0,0,0|2,0,0]=3 698 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,0,0,0,0|2,0,0]=3 699 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,0,0,0,0|2,0,0]=3 700 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,0,0,0,0|2,0,0]=3 701 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,0,0,0,0,0|3,0,0]=4 702 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,0,0,0,0,0|3,0,0]=4 703 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,0,0,0,0,0|3,0,0]=4 704 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,0,0,0,0,0|3,0,0]=4 705 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,0,0,0,0,0|3,0,0]=4 706 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,0,0,0,0,0|3,0,0]=4 707 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,0,0,0,0,0|3,0,0]=4 708 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,0,0,0,0|2,0,0]=3 709 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,0,0,0,0|2,0,0]=3 710 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [1,0,0,0,0,0|3,0,0]=4 711 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [1,0,0,0,0,0|3,0,0]=4 712 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [1,0,0,0,0,0|3,0,0]=4 713 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [1,0,0,0,0,0|3,0,0]=4 714 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,0,0,0,0,0|2,0,0]=3 715 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,0,0,0,0,0|2,0,0]=3 716 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,0,0,0,0|1,1,0]=3 717 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,0,0,0,0|1,1,0]=3 718 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,0,0,0,0|1,1,0]=3 719 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,0,0,0,0|1,1,0]=3 720 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,0,0,0,0|1,1,0]=3 721 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,0,0,0,0|1,1,0]=3 722 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,0,0,0,0|1,1,0]=3 723 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,0,0,0,0|1,0,0]=2 724 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,0,0,0,0|1,0,0]=2 725 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,0,0,0,0|1,0,0]=2 726 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,0,0,0,0|1,0,0]=2 727 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,0,0,0,0|1,0,0]=2 728 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,0,0,0,0|1,0,0]=2 729 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,0,0,0,0|1,0,0]=2 730 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,0,0,0,0|1,0,0]=2 731 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [1,0,0,0,0,0|2,0,1]=4 732 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,0,0,0,0,0|2,0,0]=3 733 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,0,0,0,0,0|2,0,0]=3 734 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,0,0,0,0,0|2,0,0]=3 735 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,0,0,0,0,0|2,0,0]=3 736 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,0,0,0,0,0|2,0,0]=3 737 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,0,0,0,0|1,0,0]=2 738 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,0,0,0,0|1,0,0]=2 739 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,0,0,0,0|1,0,0]=2 740 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,0,0,0,0|0,0,0]=1 741 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,0,0,0,0|0,0,0]=1 742 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,0,0,0,0|0,0,0]=1 743 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,0,0,0,0|0,0,0]=1 744 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,0,0,0,0,0|3,0,0]=4 745 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,0,0,0,0,0|3,0,0]=4 746 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,0,0,0,0,0|1,0,0]=2 747 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,0,0,0,0,0|1,0,0]=2 748 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,0,0,0,0,0|1,1,1]=4 749 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [1,0,0,0,0,0|2,0,1]=4 750 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [1,0,0,0,0,0|2,0,1]=4 751 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,0,0,0,0,0|1,1,0]=3 752 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,0,0,0,0|1,1,0]=3 753 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,0,0,0,0|0,1,0]=2 754 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,0,0,0,0,0|1,1,1]=4 755 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,0,0,0,0,0|1,0,0]=2 756 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|1,0,0]=2 757 B7R0.3 CSCCN(C)CF 269982a_100000686725_100015361967 [1,0,0,0,0,0|3,0,0]=4 758 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [1,0,0,0,0,0|3,0,0]=4 759 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [1,0,0,0,0,0|3,0,0]=4 760 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,0,0,0,0|3,0,0]=4 761 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,0,0,0,0|3,0,0]=4 762 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [1,0,0,0,0,0|1,0,2]=4 763 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [1,0,0,0,0,0|1,0,2]=4 764 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [1,0,0,0,0,0|1,0,2]=4 765 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [1,0,0,0,0,0|1,0,2]=4 766 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,0,0,0,0,0|1,0,2]=4 767 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,0,0,0,0,0|1,0,2]=4 768 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [1,0,0,0,0,0|1,0,2]=4 769 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 770 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 771 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 772 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,0,0,0,0,0|1,0,2]=4 773 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,0,0,0,0,0|1,0,2]=4 774 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,0,0,0,0,0|0,1,2]=4 775 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,0,0,0,0,0|0,0,2]=3 776 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,0,0,0,0,0|0,0,2]=3 777 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,0,0,0,0,0|0,0,2]=3 778 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,0,0,0,0,0|0,0,2]=3 779 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,0,0,0,0,0|1,0,1]=3 780 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [1,0,0,0,0,0|2,0,1]=4 781 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [1,0,0,0,0,0|1,1,1]=4 782 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,0,0,0,0,0|1,0,1]=3 783 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,0,0,0,0,0|2,0,1]=4 784 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,0,0,0,0,0|1,1,1]=4 785 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,0,0,0,0,0|1,0,2]=4 786 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,0,0,0,0,0|1,0,2]=4 787 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,0,0,0,0,0|2,0,1]=4 788 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,0,0,0,0,0|2,0,1]=4 789 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,0,0,0,0,0|2,0,1]=4 790 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [1,0,0,0,0,0|2,0,1]=4 791 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [1,0,0,0,0,0|2,0,1]=4 792 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,0,0,0,0,0|1,0,0]=2 793 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,0,0,0,0,0|2,0,0]=3 794 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,0,0,0,0,0|1,1,0]=3 795 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,0,0,0,0,0|1,1,0]=3 796 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,0,0,0,0,0|2,0,0]=3 797 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,0,0,0,0,0|2,0,0]=3 798 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,0,0,0,0,0|1,1,0]=3 799 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,0,0,0,0,0|1,0,0]=2 800 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,0,0,0,0,0|1,0,0]=2 801 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,0,0,0,0,0|1,0,0]=2 802 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,0,0,0,0,0|1,0,0]=2 803 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,0,0,0,0,0|1,0,0]=2 804 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,0,0,0,0,0|1,0,0]=2 805 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,0,0,0,0,0|1,0,0]=2 806 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,0,0,0,0,0|1,0,0]=2 807 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,0,0,0,0,0|2,0,0]=3 808 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [1,0,0,0,0,0|2,0,1]=4 809 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [1,0,0,0,0,0|2,0,1]=4 810 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [1,0,0,0,0,0|2,0,1]=4 811 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [1,0,0,0,0,0|2,0,1]=4 812 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,0,0,0,0,0|2,0,1]=4 813 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,0,0,0,0,0|2,0,1]=4 814 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,0,0,0,0,0|2,0,1]=4 815 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,0,0,0,0,0|1,0,1]=3 816 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,0,0,0,0,0|1,0,1]=3 817 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,0,0,0,0,0|1,0,1]=3 818 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [1,0,0,0,0,0|2,0,1]=4 819 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [1,0,0,0,0,0|2,0,1]=4 820 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,0,0,0,0,0|1,1,1]=4 821 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,0,0,0,0,0|1,1,1]=4 822 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [1,0,0,0,0,0|3,0,0]=4 823 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [1,0,0,0,0,0|3,0,0]=4 824 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [1,0,0,0,0,0|3,0,0]=4 825 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [1,0,0,0,0,0|3,0,0]=4 826 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [1,0,0,0,0,0|3,0,0]=4 827 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [1,0,0,0,0,0|3,0,0]=4 828 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [1,0,0,0,0,0|3,0,0]=4 829 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [1,0,0,0,0,0|3,0,0]=4 830 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [1,0,0,0,0,0|2,0,1]=4 831 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,0,0,0,0,0|1,1,0]=3 832 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,0,0,0,0,0|2,0,0]=3 833 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,0,0,0,0,0|2,0,0]=3 834 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,0,0,0,0,0|2,0,0]=3 835 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,0,0,0,0,0|2,0,0]=3 836 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,0,0,0,0,0|2,0,0]=3 837 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,0,0,0,0,0|1,1,0]=3 838 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,0,0,0,0,0|1,1,0]=3 839 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,0,0,0,0,0|1,1,0]=3 840 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,0,0,0,0,0|1,1,0]=3 841 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,0,0,0,0,0|1,0,0]=2 842 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,0,0,0,0,0|1,0,0]=2 843 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,0,0,0,0,0|1,0,0]=2 844 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,0,0,0,0,0|1,0,0]=2 845 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,0,0,0,0,0|1,0,0]=2 846 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,0,0,0,0,0|1,0,0]=2 847 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,0,0,0,0,0|1,0,0]=2 848 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,0,0,0,0,0|2,0,0]=3 849 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,0,0,0,0,0|2,0,0]=3 850 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,0,0,0,0,0|2,0,0]=3 851 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [1,0,0,0,0,0|3,0,0]=4 852 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [1,0,0,0,0,0|3,0,0]=4 853 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [1,0,0,0,0,0|3,0,0]=4 854 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [1,0,0,0,0,0|2,0,1]=4 855 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,0,0,0,0,0|1,0,0]=2 856 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,0,0,0,0,0|1,0,0]=2 857 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,0,0,0,0,0|1,0,0]=2 858 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,0,0,0,0,0|0,1,0]=2 859 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,0,0,0,0,0|0,0,0]=1 860 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,0,0,0,0,0|0,0,0]=1 861 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,0,0,0,0,0|0,0,0]=1 862 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,0,0,0,0,0|0,0,0]=1 863 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [1,0,0,0,0,0|2,0,1]=4 864 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,0,0,0,0,0|1,1,1]=4 865 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [1,0,0,0,0,0|1,1,1]=4 866 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [1,0,0,0,0,0|1,1,1]=4 867 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [1,0,0,0,0,0|3,0,0]=4 868 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [1,0,0,0,0,0|3,0,0]=4 869 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [1,0,0,0,0,0|3,0,0]=4 870 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [1,0,0,0,0,0|2,1,0]=4 871 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [1,0,0,0,0,0|2,1,0]=4 872 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [1,0,0,0,0,0|2,0,0]=3 873 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [1,0,0,0,0,0|2,1,0]=4 874 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,0,0,0,0,0|2,1,0]=4 875 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [1,0,0,0,0,0|2,1,0]=4 876 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [1,0,0,0,0,0|2,0,1]=4 877 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,0,0,0,0,0|2,0,0]=3 878 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,0,0,0,0,0|2,0,0]=3 879 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [1,0,0,0,0,0|2,0,0]=3 880 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [1,0,0,0,0,0|2,0,0]=3 881 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,0,0,0,0,0|2,1,0]=4 882 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,0,0,0,0,0|2,1,0]=4 883 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [1,0,0,0,0,0|2,0,0]=3 884 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [1,0,0,0,0,0|2,0,0]=3 885 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000210554_100000753159 [0,1,0,0,0,0|2,0,1]=4 886 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000692101_100000210624 [0,1,0,0,0,0|2,0,1]=4 887 B9R0.4 C#CCCC(=O)CC(C)O 1458a_100000692101_100011218427 [0,1,0,0,0,0|2,0,1]=4 888 B9R0.4 C#CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000753159 [0,1,0,0,0,0|2,0,1]=4 889 B9R0.4 C#CCCC(=O)NC(C)C 11a_100138425928_100000692101 [0,1,0,0,0,0|2,0,1]=4 890 B9R0.4 C#CCCC(=O)NC(C)C 1626a_100138425928_100000692101 [0,1,0,0,0,0|2,0,1]=4 891 B9R0.4 C#CCCC(=O)NC(C)C 240690a_100138425928_100000692101 [0,1,0,0,0,0|2,0,1]=4 892 B9R0.4 C#CCCC(=O)NC(C)C 527a_100138425928_100000692101 [0,1,0,0,0,0|2,0,1]=4 893 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [0,1,0,0,0,0|2,0,1]=4 894 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [0,1,0,0,0,0|2,0,1]=4 895 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,1,0,0,0,0|2,0,1]=4 896 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,1,0,0,0,0|1,1,1]=4 897 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,1,0,0,0,0|1,0,1]=3 898 B9R0.4 C=C(F)CC(=O)CCSC 1458a_100000174002_100009893438 [0,1,0,0,0,0|1,0,2]=4 899 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [0,1,0,0,0,0|2,0,1]=4 900 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [0,1,0,0,0,0|2,0,1]=4 901 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [0,1,0,0,0,0|2,0,1]=4 902 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [0,1,0,0,0,0|2,0,1]=4 903 B9R0.4 C=CCCC(=O)NC(C)C 11a_100138425928_100000749702 [0,1,0,0,0,0|2,0,1]=4 904 B9R0.4 C=CCCC(=O)NC(C)C 1626a_100138425928_100000749702 [0,1,0,0,0,0|2,0,1]=4 905 B9R0.4 C=CCCC(=O)NC(C)C 240690a_100138425928_100000749702 [0,1,0,0,0,0|2,0,1]=4 906 B9R0.4 C=CCCC(=O)NC(C)C 527a_100138425928_100000749702 [0,1,0,0,0,0|2,0,1]=4 907 B9R0.4 CC#CCC(=O)CC(C)C 1458a_100000210554_100000748600 [0,1,0,0,0,0|2,0,1]=4 908 B9R0.4 CC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000748600 [0,1,0,0,0,0|2,0,1]=4 909 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100000210554_100011215226 [0,1,0,0,0,0|3,0,0]=4 910 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100011934036_100000210624 [0,1,0,0,0,0|3,0,0]=4 911 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,1,0,0,0,0|3,0,0]=4 912 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,1,0,0,0,0|3,0,0]=4 913 B9R0.4 CC(C)NC(=O)CCC#N 11a_100138425928_100011934036 [0,1,0,0,0,0|3,0,0]=4 914 B9R0.4 CC(C)NC(=O)CCC#N 1626a_100138425928_100011934036 [0,1,0,0,0,0|3,0,0]=4 915 B9R0.4 CC(C)NC(=O)CCC#N 240690a_100138425928_100011934036 [0,1,0,0,0,0|3,0,0]=4 916 B9R0.4 CC(C)NC(=O)CCC#N 527a_100138425928_100011934036 [0,1,0,0,0,0|3,0,0]=4 917 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,1,0,0,0,0|1,0,0]=2 918 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,1,0,0,0,0|1,0,0]=2 919 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,1,0,0,0,0|0,0,0]=1 920 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,1,0,0,0,0|0,0,0]=1 921 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [0,1,0,0,0,0|3,0,0]=4 922 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [0,1,0,0,0,0|3,0,0]=4 923 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,1,0,0,0,0|1,0,0]=2 924 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,1,0,0,0,0|1,0,0]=2 925 B9R0.4 CC(O)CC(=O)CCC#N 1458a_100011934036_100011218427 [0,1,0,0,0,0|3,0,0]=4 926 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [0,1,0,0,0,0|2,0,1]=4 927 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [0,1,0,0,0,0|2,0,1]=4 928 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [0,1,0,0,0,0|2,0,1]=4 929 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [0,1,0,0,0,0|2,0,1]=4 930 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [0,1,0,0,0,0|2,0,1]=4 931 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [0,1,0,0,0,0|2,0,1]=4 932 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [0,1,0,0,0,0|2,0,1]=4 933 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [0,1,0,0,0,0|2,0,1]=4 934 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,1,0,0,0,0|2,0,1]=4 935 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,1,0,0,0,0|2,0,1]=4 936 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,1,0,0,0,0|2,0,1]=4 937 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,1,0,0,0,0|2,0,0]=3 938 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,1,0,0,0,0|2,0,0]=3 939 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,1,0,0,0,0|2,0,0]=3 940 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [0,1,0,0,0,0|3,0,0]=4 941 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,1,0,0,0,0|3,0,0]=4 942 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,1,0,0,0,0|2,0,0]=3 943 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,1,0,0,0,0|3,0,0]=4 944 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,1,0,0,0,0|2,0,0]=3 945 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,1,0,0,0,0|2,0,0]=3 946 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,1,0,0,0,0|2,0,0]=3 947 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,1,0,0,0,0|2,0,0]=3 948 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [0,1,0,0,0,0|2,0,1]=4 949 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [0,1,0,0,0,0|2,0,1]=4 950 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [0,1,0,0,0,0|2,0,1]=4 951 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,1,0,0,0,0|3,0,0]=4 952 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,1,0,0,0,0|3,0,0]=4 953 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,1,0,0,0,0|3,0,0]=4 954 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,1,0,0,0,0|3,0,0]=4 955 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,1,0,0,0,0|3,0,0]=4 956 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [0,1,0,0,0,0|3,0,0]=4 957 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [0,1,0,0,0,0|3,0,0]=4 958 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [0,1,0,0,0,0|3,0,0]=4 959 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [0,1,0,0,0,0|3,0,0]=4 960 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [0,1,0,0,0,0|3,0,0]=4 961 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [0,1,0,0,0,0|3,0,0]=4 962 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [0,1,0,0,0,0|3,0,0]=4 963 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,1,0,0,0,0|2,0,0]=3 964 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,1,0,0,0,0|3,0,0]=4 965 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,1,0,0,0,0|3,0,0]=4 966 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,1,0,0,0,0|3,0,0]=4 967 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,1,0,0,0,0|3,0,0]=4 968 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,1,0,0,0,0|3,0,0]=4 969 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,1,0,0,0,0|3,0,0]=4 970 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,1,0,0,0,0|3,0,0]=4 971 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,1,0,0,0,0|2,0,0]=3 972 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [0,1,0,0,0,0|3,0,0]=4 973 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,1,0,0,0,0|3,0,0]=4 974 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [0,1,0,0,0,0|3,0,0]=4 975 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [0,1,0,0,0,0|3,0,0]=4 976 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [0,1,0,0,0,0|3,0,0]=4 977 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [0,1,0,0,0,0|3,0,0]=4 978 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [0,1,0,0,0,0|3,0,0]=4 979 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [0,1,0,0,0,0|3,0,0]=4 980 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,1,0,0,0,0|2,0,0]=3 981 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,1,0,0,0,0|2,0,0]=3 982 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,1,0,0,0,0|2,0,0]=3 983 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,1,0,0,0,0|2,0,0]=3 984 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,1,0,0,0,0|1,0,0]=2 985 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,1,0,0,0,0|1,0,0]=2 986 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [0,1,0,0,0,0|1,1,1]=4 987 B9R0.4 COCCC(=O)C=C(C)Cl 1458a_200042562850_100000233755 [0,1,0,0,0,0|1,1,1]=4 988 B9R0.4 COCCC(=O)C=C(C)I 1458a_100025716642_100000233755 [0,1,0,0,0,0|1,1,1]=4 989 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,1,0,0,0,0|1,1,0]=3 990 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,1,0,0,0,0|1,1,0]=3 991 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,1,0,0,0,0|1,1,0]=3 992 B9R0.4 COCCC(=O)CC(F)F 1458a_100000749529_100011934356 [0,1,0,0,0,0|2,1,0]=4 993 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [0,1,0,0,0,0|2,1,0]=4 994 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,1,0,0,0,0|1,1,0]=3 995 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [0,1,0,0,0,0|2,1,0]=4 996 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,1,0,0,0,0|1,1,0]=3 997 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,1,0,0,0,0|1,1,0]=3 998 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,1,0,0,0,0|1,1,0]=3 999 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,1,0,0,0,0|1,1,0]=3 1000 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,1,0,0,0,0|1,0,1]=3 1001 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,1,0,0,0,0|1,0,1]=3 1002 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,1,0,0,0,0|1,0,1]=3 1003 B9R0.4 CSCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000751147 [0,1,0,0,0,0|2,0,1]=4 1004 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,1,0,0,0,0|2,0,1]=4 1005 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,1,0,0,0,0|2,0,1]=4 1006 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,1,0,0,0,0|2,0,1]=4 1007 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,1,0,0,0,0|1,0,0]=2 1008 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,1,0,0,0,0|1,0,0]=2 1009 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,1,0,0,0,0|1,0,0]=2 1010 B9R0.4 CSCCC(=O)CC(F)F 1458a_100000174002_100011934356 [0,1,0,0,0,0|2,0,0]=3 1011 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,1,0,0,0,0|2,0,0]=3 1012 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,1,0,0,0,0|1,0,0]=2 1013 B9R0.4 CSCCC(=O)C[N+](=O)[O-] 1458a_100000174002_100000761209 [0,1,0,0,0,0|3,0,0]=4 1014 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [0,1,0,0,0,0|2,0,0]=3 1015 B9R0.4 CSCCC(=O)NC(=O)N 62a_200000210301_100000237605 [0,1,0,0,0,0|2,0,1]=4 1016 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,1,0,0,0,0|1,0,0]=2 1017 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,1,0,0,0,0|1,0,0]=2 1018 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,1,0,0,0,0|1,0,0]=2 1019 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,1,0,0,0,0|1,0,0]=2 1020 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,1,0,0,0,0|1,0,0]=2 1021 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,1,0,0,0,0|1,0,0]=2 1022 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,1,0,0,0,0|0,0,0]=1 1023 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,1,0,0,0,0|0,0,0]=1 1024 B9R0.4 CSCCN(C)CC(C)C 2230a_100000686725_100000210760 [0,1,0,0,0,0|3,0,0]=4 1025 B9R0.4 CSCCN(C)CC(C)C 2230a_100000747067_100000751147 [0,1,0,0,0,0|3,0,0]=4 1026 B9R0.4 CSCCN(C)CC(C)C 269982a_100000686725_100000210624 [0,1,0,0,0,0|3,0,0]=4 1027 B9R0.4 CSCCN(C)CC(C)C 269982a_100000747067_100000212216 [0,1,0,0,0,0|3,0,0]=4 1028 B9R0.4 CSCCN(C)CC(C)C 270004a_100000686725_100000210432 [0,1,0,0,0,0|3,0,0]=4 1029 B9R0.4 CSCCN(C)CC(C)O 2230a_100000227577_100000751147 [0,1,0,0,0,0|3,0,0]=4 1030 B9R0.4 CSCCN(C)CC(C)O 2230a_100000686725_100011218427 [0,1,0,0,0,0|3,0,0]=4 1031 B9R0.4 CSCCN(C)CC(C)O 269982a_100000227577_100000212216 [0,1,0,0,0,0|3,0,0]=4 1032 B9R0.4 CSCCN(C)CC(C)O 269982a_100000686725_100011218427 [0,1,0,0,0,0|3,0,0]=4 1033 B9R0.4 CSCCN(C)C[C@@H](C)O 2230a_100000686725_100009817552 [0,1,0,0,0,0|3,0,0]=4 1034 B9R0.4 CSCCN(C)C[C@@H](C)O 269982a_100000686725_100009817552 [0,1,0,0,0,0|3,0,0]=4 1035 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,1,0,0,0,0|1,0,0]=2 1036 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,1,0,0,0,0|1,0,0]=2 1037 B9R0.4 C[C@@H](O)CC(=O)CCC#N 1458a_100011933948_100011215226 [0,1,0,0,0,0|3,0,0]=4 1038 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,1,0,0,0,0|3,0,0]=4 1039 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,1,0,0,0,0|3,0,0]=4 1040 B9R0.4 [13CH3]SCCC(=O)NC(=O)N 62a_200025704644_100000237605 [0,1,0,0,0,0|2,0,1]=4 1041 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [0,1,0,0,0,0|1,0,2]=4 1042 B9R0.5 C#CCC(=O)CCSCC 1458a_100000230768_100000184674 [0,1,0,0,0,0|1,0,2]=4 1043 B9R0.5 C#CCC(=O)CCSCC 1458a_100011220946_100000757381 [0,1,0,0,0,0|1,0,2]=4 1044 B9R0.5 C#CCC(=O)NCCSC 1626a_100020590264_100011220946 [0,1,0,0,0,0|1,0,2]=4 1045 B9R0.5 C#CCC(=O)NCCSC 527a_100020590264_100011220946 [0,1,0,0,0,0|1,0,2]=4 1046 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,1,0,0,0,0|2,0,1]=4 1047 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,1,0,0,0,0|2,0,1]=4 1048 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,1,0,0,0,0|2,0,1]=4 1049 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,1,0,0,0,0|2,0,1]=4 1050 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,1,0,0,0,0|2,0,1]=4 1051 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [0,1,0,0,0,0|2,0,1]=4 1052 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [0,1,0,0,0,0|2,0,1]=4 1053 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [0,1,0,0,0,0|2,0,1]=4 1054 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [0,1,0,0,0,0|2,0,1]=4 1055 B9R0.5 C#CCCNC(=O)NCC 2708a_100000755551_100015525214 [0,1,0,0,0,0|2,0,1]=4 1056 B9R0.5 C#CCCNC(=O)NCC 2708a_100015525214_100000755551 [0,1,0,0,0,0|2,0,1]=4 1057 B9R0.5 C#CCCNC(=O)NCC 273464a_100000755551_100015525214 [0,1,0,0,0,0|2,0,1]=4 1058 B9R0.5 C#CCCNC(=O)NCC 273464a_100015525214_100000755551 [0,1,0,0,0,0|2,0,1]=4 1059 B9R0.5 C#CCCNC(=O)NCC 512a_100000755551_100015525214 [0,1,0,0,0,0|2,0,1]=4 1060 B9R0.5 C#CCCNC(=O)NCC 512a_100015525214_100000755551 [0,1,0,0,0,0|2,0,1]=4 1061 B9R0.5 C#CCNCC(=O)NCC 2230a_100016988866_100000038162 [0,1,0,0,0,0|2,0,1]=4 1062 B9R0.5 C#CCNCC(=O)NCC 34a_100000212058_100000183381 [0,1,0,0,0,0|2,0,1]=4 1063 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [0,1,0,0,0,0|1,0,1]=3 1064 B9R0.5 C#CCOCC(=O)CCC 1458a_100011251226_100000210303 [0,1,0,0,0,0|2,0,1]=4 1065 B9R0.5 C#CCOCC(=O)NCC 11a_100015525214_100011251226 [0,1,0,0,0,0|2,0,1]=4 1066 B9R0.5 C#CCOCC(=O)NCC 34a_100000210247_100000183381 [0,1,0,0,0,0|2,0,1]=4 1067 B9R0.5 C#CCOCC(=O)NCC 527a_100015525214_100011251226 [0,1,0,0,0,0|2,0,1]=4 1068 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [0,1,0,0,0,0|1,0,1]=3 1069 B9R0.5 C#CCSCC(=O)CCC 62a_100000038162_100000747444 [0,1,0,0,0,0|2,0,1]=4 1070 B9R0.5 C#CCSCC(=O)NCC 62a_100000038162_100000183381 [0,1,0,0,0,0|2,0,1]=4 1071 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [0,1,0,0,0,0|1,0,1]=3 1072 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,1,0,0,0,0|1,0,2]=4 1073 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,1,0,0,0,0|1,0,2]=4 1074 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,1,0,0,0,0|1,0,2]=4 1075 B9R0.5 C=CCC(=O)NCCSC 11a_100020590264_100000210193 [0,1,0,0,0,0|1,0,2]=4 1076 B9R0.5 C=CCC(=O)NCCSC 1626a_100020590264_100000210193 [0,1,0,0,0,0|1,0,2]=4 1077 B9R0.5 C=CCC(=O)NCCSC 240690a_100020590264_100000210193 [0,1,0,0,0,0|1,0,2]=4 1078 B9R0.5 C=CCC(=O)NCCSC 527a_100020590264_100000210193 [0,1,0,0,0,0|1,0,2]=4 1079 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,1,0,0,0,0|2,0,1]=4 1080 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,1,0,0,0,0|2,0,1]=4 1081 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,1,0,0,0,0|2,0,1]=4 1082 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,1,0,0,0,0|2,0,1]=4 1083 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,1,0,0,0,0|2,0,1]=4 1084 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [0,1,0,0,0,0|2,0,1]=4 1085 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [0,1,0,0,0,0|2,0,1]=4 1086 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [0,1,0,0,0,0|2,0,1]=4 1087 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [0,1,0,0,0,0|2,0,1]=4 1088 B9R0.5 C=CCCNC(=O)NCC 2708a_100015191253_100015525214 [0,1,0,0,0,0|2,0,1]=4 1089 B9R0.5 C=CCCNC(=O)NCC 2708a_100015525214_100015191253 [0,1,0,0,0,0|2,0,1]=4 1090 B9R0.5 C=CCCNC(=O)NCC 273464a_100015191253_100015525214 [0,1,0,0,0,0|2,0,1]=4 1091 B9R0.5 C=CCCNC(=O)NCC 273464a_100015525214_100015191253 [0,1,0,0,0,0|2,0,1]=4 1092 B9R0.5 C=CCCNC(=O)NCC 512a_100015191253_100015525214 [0,1,0,0,0,0|2,0,1]=4 1093 B9R0.5 C=CCCNC(=O)NCC 512a_100015525214_100015191253 [0,1,0,0,0,0|2,0,1]=4 1094 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [0,1,0,0,0,0|2,0,1]=4 1095 B9R0.5 C=CCNCC(=O)NCC 2230a_100016988866_100000210623 [0,1,0,0,0,0|2,0,1]=4 1096 B9R0.5 C=CCNCC(=O)NCC 2230a_100020586998_100000183381 [0,1,0,0,0,0|2,0,1]=4 1097 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,1,0,0,0,0|1,0,1]=3 1098 B9R0.5 C=CCOCC(=O)NCC 34a_200000210373_100000183381 [0,1,0,0,0,0|2,0,1]=4 1099 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,1,0,0,0,0|1,0,1]=3 1100 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [0,1,0,0,0,0|2,0,1]=4 1101 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [0,1,0,0,0,0|2,0,1]=4 1102 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [0,1,0,0,0,0|2,0,1]=4 1103 B9R0.5 C=CCSCC(=O)NCC 11a_100015525214_100000230395 [0,1,0,0,0,0|2,0,1]=4 1104 B9R0.5 C=CCSCC(=O)NCC 240690a_100015525214_100000230395 [0,1,0,0,0,0|2,0,1]=4 1105 B9R0.5 C=CCSCC(=O)NCC 527a_100015525214_100000230395 [0,1,0,0,0,0|2,0,1]=4 1106 B9R0.5 C=CCSCC(=O)NCC 62a_100000183381_100000210623 [0,1,0,0,0,0|2,0,1]=4 1107 B9R0.5 C=CCSCC(=O)NCC 62a_100000210623_100000183381 [0,1,0,0,0,0|2,0,1]=4 1108 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,1,0,0,0,0|1,0,1]=3 1109 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,1,0,0,0,0|1,0,1]=3 1110 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,1,0,0,0,0|1,0,2]=4 1111 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,1,0,0,0,0|1,0,2]=4 1112 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,1,0,0,0,0|1,0,2]=4 1113 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [0,1,0,0,0,0|0,1,2]=4 1114 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [0,1,0,0,0,0|0,1,2]=4 1115 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [0,1,0,0,0,0|0,0,2]=3 1116 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [0,1,0,0,0,0|0,0,2]=3 1117 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [0,1,0,0,0,0|1,1,1]=4 1118 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,1,0,0,0,0|2,0,1]=4 1119 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [0,1,0,0,0,0|2,0,1]=4 1120 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,1,0,0,0,0|2,0,1]=4 1121 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [0,1,0,0,0,0|1,1,1]=4 1122 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [0,1,0,0,0,0|1,1,1]=4 1123 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [0,1,0,0,0,0|1,0,1]=3 1124 B9R0.5 CC#CCNC(=O)CCC 11a_100000685387_100000211992 [0,1,0,0,0,0|2,0,1]=4 1125 B9R0.5 CC#CCNC(=O)CCC 1626a_100000685387_100000211992 [0,1,0,0,0,0|2,0,1]=4 1126 B9R0.5 CC#CCNC(=O)CCC 527a_100000685387_100000211992 [0,1,0,0,0,0|2,0,1]=4 1127 B9R0.5 CC#CCNC(=O)NCC 2708a_100015525214_100000685387 [0,1,0,0,0,0|2,0,1]=4 1128 B9R0.5 CC#CCNC(=O)NCC 273464a_100000685387_100015525214 [0,1,0,0,0,0|2,0,1]=4 1129 B9R0.5 CC#CCNC(=O)NCC 273464a_100015525214_100000685387 [0,1,0,0,0,0|2,0,1]=4 1130 B9R0.5 CC#CCNC(=O)NCC 512a_100000685387_100015525214 [0,1,0,0,0,0|2,0,1]=4 1131 B9R0.5 CC#CCNC(=O)NCC 512a_100015525214_100000685387 [0,1,0,0,0,0|2,0,1]=4 1132 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,1,0,0,0,0|2,0,1]=4 1133 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,1,0,0,0,0|2,0,1]=4 1134 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,1,0,0,0,0|2,0,1]=4 1135 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,1,0,0,0,0|2,0,1]=4 1136 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,1,0,0,0,0|2,0,1]=4 1137 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,1,0,0,0,0|2,0,1]=4 1138 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,1,0,0,0,0|2,0,1]=4 1139 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,1,0,0,0,0|2,0,1]=4 1140 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,1,0,0,0,0|1,1,1]=4 1141 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,1,0,0,0,0|1,1,1]=4 1142 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,1,0,0,0,0|1,0,1]=3 1143 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,1,0,0,0,0|2,0,1]=4 1144 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,1,0,0,0,0|2,0,1]=4 1145 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,1,0,0,0,0|2,0,1]=4 1146 B9R0.5 CC=CC(=O)NCCOC 1626a_100000209980_100000210699 [0,1,0,0,0,0|1,1,1]=4 1147 B9R0.5 CC=CC(=O)NCCOC 240690a_100000209980_100000210699 [0,1,0,0,0,0|1,1,1]=4 1148 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [0,1,0,0,0,0|1,0,1]=3 1149 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [0,1,0,0,0,0|1,0,1]=3 1150 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [0,1,0,0,0,0|1,0,1]=3 1151 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [0,1,0,0,0,0|2,0,1]=4 1152 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,1,0,0,0,0|2,0,1]=4 1153 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [0,1,0,0,0,0|2,0,1]=4 1154 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,1,0,0,0,0|1,1,1]=4 1155 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [0,1,0,0,0,0|2,0,1]=4 1156 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,1,0,0,0,0|2,0,1]=4 1157 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,1,0,0,0,0|2,0,1]=4 1158 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,1,0,0,0,0|2,0,0]=3 1159 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,1,0,0,0,0|2,0,0]=3 1160 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,1,0,0,0,0|2,0,0]=3 1161 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,1,0,0,0,0|1,1,0]=3 1162 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,1,0,0,0,0|1,1,0]=3 1163 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,1,0,0,0,0|1,0,0]=2 1164 B9R0.5 CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210303 [0,1,0,0,0,0|3,0,0]=4 1165 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,1,0,0,0,0|1,1,0]=3 1166 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,1,0,0,0,0|1,1,0]=3 1167 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,1,0,0,0,0|1,0,0]=2 1168 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,1,0,0,0,0|1,0,0]=2 1169 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,1,0,0,0,0|3,0,0]=4 1170 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,1,0,0,0,0|3,0,0]=4 1171 B9R0.5 CCCC(=O)CSCC#N 1458a_100000150266_100000210303 [0,1,0,0,0,0|3,0,0]=4 1172 B9R0.5 CCCC(=O)CSCC#N 62a_100000747444_100011215382 [0,1,0,0,0,0|3,0,0]=4 1173 B9R0.5 CCCC(=O)CSCC#N 62a_100011215382_100000747444 [0,1,0,0,0,0|3,0,0]=4 1174 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,1,0,0,0,0|3,0,0]=4 1175 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,1,0,0,0,0|3,0,0]=4 1176 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,1,0,0,0,0|3,0,0]=4 1177 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,1,0,0,0,0|3,0,0]=4 1178 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,1,0,0,0,0|3,0,0]=4 1179 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,1,0,0,0,0|3,0,0]=4 1180 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,1,0,0,0,0|1,1,0]=3 1181 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,1,0,0,0,0|1,1,0]=3 1182 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,1,0,0,0,0|1,0,0]=2 1183 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,1,0,0,0,0|1,0,0]=2 1184 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [0,1,0,0,0,0|3,0,0]=4 1185 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [0,1,0,0,0,0|3,0,0]=4 1186 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [0,1,0,0,0,0|3,0,0]=4 1187 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [0,1,0,0,0,0|3,0,0]=4 1188 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,1,0,0,0,0|3,0,0]=4 1189 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,1,0,0,0,0|3,0,0]=4 1190 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,1,0,0,0,0|3,0,0]=4 1191 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,1,0,0,0,0|3,0,0]=4 1192 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,1,0,0,0,0|3,0,0]=4 1193 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,1,0,0,0,0|3,0,0]=4 1194 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,1,0,0,0,0|1,1,0]=3 1195 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,1,0,0,0,0|1,1,0]=3 1196 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,1,0,0,0,0|1,1,0]=3 1197 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,1,0,0,0,0|1,0,0]=2 1198 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,1,0,0,0,0|1,0,0]=2 1199 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,1,0,0,0,0|1,0,0]=2 1200 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,1,0,0,0,0|1,0,0]=2 1201 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,1,0,0,0,0|3,0,0]=4 1202 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,1,0,0,0,0|2,1,0]=4 1203 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,1,0,0,0,0|2,0,0]=3 1204 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [0,1,0,0,0,0|2,0,0]=3 1205 B9R0.5 CCCC(C)COCSC 34a_100000688023_100011218213 [0,1,0,0,0,0|2,0,1]=4 1206 B9R0.5 CCCC(C)CSCSC 62a_100011216630_100011218213 [0,1,0,0,0,0|2,0,1]=4 1207 B9R0.5 CCCC(C)CSCSC 62a_100011218213_100011216630 [0,1,0,0,0,0|2,0,1]=4 1208 B9R0.5 CCCC(C)NCCSC 2230a_100000741246_100000751147 [0,1,0,0,0,0|2,0,1]=4 1209 B9R0.5 CCCC(C)NCCSC 2230a_100020590264_100000766640 [0,1,0,0,0,0|2,0,1]=4 1210 B9R0.5 CCCC(C)NCCSC 270004a_100020590264_100000211909 [0,1,0,0,0,0|2,0,1]=4 1211 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [0,1,0,0,0,0|2,0,1]=4 1212 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [0,1,0,0,0,0|2,0,1]=4 1213 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [0,1,0,0,0,0|2,0,1]=4 1214 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [0,1,0,0,0,0|2,0,1]=4 1215 B9R0.5 CCCC(C)SCCSC 62a_100000212216_100000766640 [0,1,0,0,0,0|2,0,1]=4 1216 B9R0.5 CCCC(C)SCCSC 62a_100000766640_100000751147 [0,1,0,0,0,0|2,0,1]=4 1217 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,1,0,0,0,0|2,0,1]=4 1218 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,1,0,0,0,0|2,0,1]=4 1219 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,1,0,0,0,0|2,0,1]=4 1220 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,1,0,0,0,0|2,0,0]=3 1221 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,1,0,0,0,0|2,0,0]=3 1222 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,1,0,0,0,0|3,0,0]=4 1223 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,1,0,0,0,0|3,0,0]=4 1224 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,1,0,0,0,0|3,0,0]=4 1225 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,1,0,0,0,0|3,0,0]=4 1226 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,1,0,0,0,0|3,0,0]=4 1227 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,1,0,0,0,0|3,0,0]=4 1228 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,1,0,0,0,0|3,0,0]=4 1229 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,1,0,0,0,0|3,0,0]=4 1230 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,1,0,0,0,0|3,0,0]=4 1231 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,1,0,0,0,0|3,0,0]=4 1232 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,1,0,0,0,0|3,0,0]=4 1233 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,1,0,0,0,0|3,0,0]=4 1234 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,1,0,0,0,0|3,0,0]=4 1235 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,1,0,0,0,0|2,0,0]=3 1236 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,1,0,0,0,0|2,0,0]=3 1237 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,1,0,0,0,0|2,0,0]=3 1238 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,1,0,0,0,0|3,0,0]=4 1239 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,1,0,0,0,0|2,0,1]=4 1240 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,1,0,0,0,0|2,0,1]=4 1241 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,1,0,0,0,0|2,0,1]=4 1242 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,1,0,0,0,0|2,0,0]=3 1243 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,1,0,0,0,0|2,0,0]=3 1244 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,1,0,0,0,0|2,0,0]=3 1245 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,1,0,0,0,0|2,0,0]=3 1246 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,1,0,0,0,0|3,0,0]=4 1247 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,1,0,0,0,0|3,0,0]=4 1248 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,1,0,0,0,0|3,0,0]=4 1249 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,1,0,0,0,0|3,0,0]=4 1250 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,1,0,0,0,0|3,0,0]=4 1251 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,1,0,0,0,0|3,0,0]=4 1252 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,1,0,0,0,0|3,0,0]=4 1253 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,1,0,0,0,0|3,0,0]=4 1254 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,1,0,0,0,0|3,0,0]=4 1255 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,1,0,0,0,0|3,0,0]=4 1256 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,1,0,0,0,0|3,0,0]=4 1257 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,1,0,0,0,0|3,0,0]=4 1258 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,1,0,0,0,0|3,0,0]=4 1259 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,1,0,0,0,0|3,0,0]=4 1260 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,1,0,0,0,0|3,0,0]=4 1261 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,1,0,0,0,0|3,0,0]=4 1262 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,1,0,0,0,0|3,0,0]=4 1263 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,1,0,0,0,0|2,0,0]=3 1264 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,1,0,0,0,0|2,0,0]=3 1265 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,1,0,0,0,0|2,0,0]=3 1266 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,1,0,0,0,0|2,0,0]=3 1267 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,1,0,0,0,0|2,0,0]=3 1268 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,1,0,0,0,0|2,0,0]=3 1269 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [0,1,0,0,0,0|3,0,0]=4 1270 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [0,1,0,0,0,0|3,0,0]=4 1271 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [0,1,0,0,0,0|3,0,0]=4 1272 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,1,0,0,0,0|3,0,0]=4 1273 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,1,0,0,0,0|3,0,0]=4 1274 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,1,0,0,0,0|3,0,0]=4 1275 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,1,0,0,0,0|3,0,0]=4 1276 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,1,0,0,0,0|3,0,0]=4 1277 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,1,0,0,0,0|3,0,0]=4 1278 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,1,0,0,0,0|3,0,0]=4 1279 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,1,0,0,0,0|3,0,0]=4 1280 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [0,1,0,0,0,0|3,0,0]=4 1281 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [0,1,0,0,0,0|3,0,0]=4 1282 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,1,0,0,0,0|2,0,0]=3 1283 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,1,0,0,0,0|3,0,0]=4 1284 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [0,1,0,0,0,0|3,0,0]=4 1285 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [0,1,0,0,0,0|3,0,0]=4 1286 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [0,1,0,0,0,0|3,0,0]=4 1287 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,1,0,0,0,0|2,0,0]=3 1288 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,1,0,0,0,0|3,0,0]=4 1289 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,1,0,0,0,0|3,0,0]=4 1290 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,1,0,0,0,0|2,0,0]=3 1291 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,1,0,0,0,0|2,0,0]=3 1292 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,1,0,0,0,0|2,0,0]=3 1293 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,1,0,0,0,0|2,0,0]=3 1294 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,1,0,0,0,0|3,0,0]=4 1295 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,1,0,0,0,0|3,0,0]=4 1296 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,1,0,0,0,0|1,0,0]=2 1297 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,1,0,0,0,0|2,0,0]=3 1298 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,1,0,0,0,0|2,0,0]=3 1299 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,1,0,0,0,0|2,0,0]=3 1300 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,1,0,0,0,0|3,0,0]=4 1301 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,1,0,0,0,0|3,0,0]=4 1302 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,1,0,0,0,0|2,0,0]=3 1303 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,1,0,0,0,0|2,0,0]=3 1304 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,1,0,0,0,0|2,0,0]=3 1305 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,1,0,0,0,0|2,0,0]=3 1306 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,1,0,0,0,0|2,0,0]=3 1307 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,1,0,0,0,0|3,0,0]=4 1308 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,1,0,0,0,0|3,0,0]=4 1309 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [0,1,0,0,0,0|3,0,0]=4 1310 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,1,0,0,0,0|1,0,0]=2 1311 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,1,0,0,0,0|1,0,0]=2 1312 B9R0.5 CCC[C@H](N)COCSC 34a_100000732646_100011218213 [0,1,0,0,0,0|2,0,1]=4 1313 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [0,1,0,0,0,0|1,1,1]=4 1314 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [0,1,0,0,0,0|1,1,1]=4 1315 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,1,0,0,0,0|2,0,1]=4 1316 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,1,0,0,0,0|2,0,1]=4 1317 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,1,0,0,0,0|2,0,1]=4 1318 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,1,0,0,0,0|1,1,0]=3 1319 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,1,0,0,0,0|1,1,0]=3 1320 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,1,0,0,0,0|1,1,0]=3 1321 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,1,0,0,0,0|1,0,0]=2 1322 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,1,0,0,0,0|1,0,0]=2 1323 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,1,0,0,0,0|1,0,0]=2 1324 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 11a_100015525214_100000688302 [0,1,0,0,0,0|3,0,0]=4 1325 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 240690a_100015525214_100000688302 [0,1,0,0,0,0|3,0,0]=4 1326 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,1,0,0,0,0|2,0,0]=3 1327 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,1,0,0,0,0|1,1,0]=3 1328 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,1,0,0,0,0|1,1,0]=3 1329 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,1,0,0,0,0|1,1,0]=3 1330 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,1,0,0,0,0|1,0,0]=2 1331 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,1,0,0,0,0|1,0,0]=2 1332 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,1,0,0,0,0|1,0,0]=2 1333 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,1,0,0,0,0|1,0,0]=2 1334 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,1,0,0,0,0|1,0,0]=2 1335 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,1,0,0,0,0|1,0,0]=2 1336 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,1,0,0,0,0|1,0,0]=2 1337 B9R0.5 CCNC(=O)CNCC#N 2230a_100016988866_100011215382 [0,1,0,0,0,0|3,0,0]=4 1338 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [0,1,0,0,0,0|3,0,0]=4 1339 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,1,0,0,0,0|3,0,0]=4 1340 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,1,0,0,0,0|3,0,0]=4 1341 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,1,0,0,0,0|3,0,0]=4 1342 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,1,0,0,0,0|3,0,0]=4 1343 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,1,0,0,0,0|3,0,0]=4 1344 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,1,0,0,0,0|1,1,0]=3 1345 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,1,0,0,0,0|1,0,0]=2 1346 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,1,0,0,0,0|3,0,0]=4 1347 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,1,0,0,0,0|3,0,0]=4 1348 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,1,0,0,0,0|3,0,0]=4 1349 B9R0.5 CCNC(=O)CSCC#N 11a_100015525214_100000150266 [0,1,0,0,0,0|3,0,0]=4 1350 B9R0.5 CCNC(=O)CSCC#N 240690a_100015525214_100000150266 [0,1,0,0,0,0|3,0,0]=4 1351 B9R0.5 CCNC(=O)CSCC#N 62a_100000183381_100011215382 [0,1,0,0,0,0|3,0,0]=4 1352 B9R0.5 CCNC(=O)CSCC#N 62a_100011215382_100000183381 [0,1,0,0,0,0|3,0,0]=4 1353 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [0,1,0,0,0,0|3,0,0]=4 1354 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [0,1,0,0,0,0|3,0,0]=4 1355 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,1,0,0,0,0|3,0,0]=4 1356 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,1,0,0,0,0|3,0,0]=4 1357 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,1,0,0,0,0|3,0,0]=4 1358 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,1,0,0,0,0|3,0,0]=4 1359 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,1,0,0,0,0|1,1,0]=3 1360 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,1,0,0,0,0|1,1,0]=3 1361 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,1,0,0,0,0|1,0,0]=2 1362 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,1,0,0,0,0|1,0,0]=2 1363 B9R0.5 CCNC(=O)NCCC#N 2708a_100000720768_100015525214 [0,1,0,0,0,0|3,0,0]=4 1364 B9R0.5 CCNC(=O)NCCC#N 2708a_100015525214_100000720768 [0,1,0,0,0,0|3,0,0]=4 1365 B9R0.5 CCNC(=O)NCCC#N 273464a_100000720768_100015525214 [0,1,0,0,0,0|3,0,0]=4 1366 B9R0.5 CCNC(=O)NCCC#N 273464a_100015525214_100000720768 [0,1,0,0,0,0|3,0,0]=4 1367 B9R0.5 CCNC(=O)NCCC#N 512a_100000720768_100015525214 [0,1,0,0,0,0|3,0,0]=4 1368 B9R0.5 CCNC(=O)NCCC#N 512a_100015525214_100000720768 [0,1,0,0,0,0|3,0,0]=4 1369 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,1,0,0,0,0|3,0,0]=4 1370 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,1,0,0,0,0|3,0,0]=4 1371 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,1,0,0,0,0|3,0,0]=4 1372 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,1,0,0,0,0|3,0,0]=4 1373 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,1,0,0,0,0|3,0,0]=4 1374 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,1,0,0,0,0|3,0,0]=4 1375 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,1,0,0,0,0|3,0,0]=4 1376 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,1,0,0,0,0|3,0,0]=4 1377 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,1,0,0,0,0|3,0,0]=4 1378 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,1,0,0,0,0|3,0,0]=4 1379 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,1,0,0,0,0|1,1,0]=3 1380 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,1,0,0,0,0|1,1,0]=3 1381 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,1,0,0,0,0|1,1,0]=3 1382 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,1,0,0,0,0|1,0,0]=2 1383 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,1,0,0,0,0|1,0,0]=2 1384 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,1,0,0,0,0|1,0,0]=2 1385 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,1,0,0,0,0|1,0,0]=2 1386 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,1,0,0,0,0|1,0,0]=2 1387 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,1,0,0,0,0|1,0,0]=2 1388 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [0,1,0,0,0,0|2,0,1]=4 1389 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,1,0,0,0,0|2,0,0]=3 1390 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,1,0,0,0,0|2,0,0]=3 1391 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,1,0,0,0,0|1,0,0]=2 1392 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,1,0,0,0,0|2,0,1]=4 1393 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,1,0,0,0,0|1,0,1]=3 1394 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,1,0,0,0,0|1,0,1]=3 1395 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,1,0,0,0,0|1,0,1]=3 1396 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,1,0,0,0,0|0,1,1]=3 1397 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,1,0,0,0,0|0,0,1]=2 1398 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,1,0,0,0,0|0,0,1]=2 1399 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,1,0,0,0,0|0,0,1]=2 1400 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,1,0,0,0,0|0,0,1]=2 1401 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,1,0,0,0,0|1,0,0]=2 1402 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,1,0,0,0,0|1,0,0]=2 1403 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,1,0,0,0,0|1,0,0]=2 1404 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,1,0,0,0,0|0,1,0]=2 1405 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,1,0,0,0,0|0,1,0]=2 1406 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,1,0,0,0,0|0,1,0]=2 1407 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,1,0,0,0,0|0,0,0]=1 1408 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,1,0,0,0,0|0,0,0]=1 1409 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,1,0,0,0,0|0,0,0]=1 1410 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,1,0,0,0,0|0,0,0]=1 1411 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,1,0,0,0,0|0,0,0]=1 1412 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,1,0,0,0,0|0,0,0]=1 1413 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,1,0,0,0,0|0,0,0]=1 1414 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,1,0,0,0,0|0,0,0]=1 1415 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,1,0,0,0,0|2,0,0]=3 1416 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,1,0,0,0,0|2,0,0]=3 1417 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,1,0,0,0,0|2,0,0]=3 1418 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,1,0,0,0,0|2,0,0]=3 1419 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,1,0,0,0,0|2,0,0]=3 1420 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [0,1,0,0,0,0|2,0,0]=3 1421 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [0,1,0,0,0,0|2,0,0]=3 1422 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,1,0,0,0,0|2,0,0]=3 1423 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,1,0,0,0,0|2,0,0]=3 1424 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,1,0,0,0,0|2,0,0]=3 1425 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,1,0,0,0,0|2,0,0]=3 1426 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,1,0,0,0,0|2,0,0]=3 1427 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,1,0,0,0,0|2,0,0]=3 1428 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,1,0,0,0,0|0,1,0]=2 1429 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,1,0,0,0,0|0,1,0]=2 1430 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,1,0,0,0,0|0,0,0]=1 1431 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,1,0,0,0,0|0,0,0]=1 1432 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,1,0,0,0,0|1,0,0]=2 1433 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,1,0,0,0,0|0,1,0]=2 1434 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,1,0,0,0,0|0,1,0]=2 1435 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,1,0,0,0,0|0,0,0]=1 1436 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,1,0,0,0,0|0,0,0]=1 1437 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,1,0,0,0,0|1,0,0]=2 1438 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,1,0,0,0,0|1,0,0]=2 1439 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,1,0,0,0,0|1,1,1]=4 1440 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,1,0,0,0,0|1,1,1]=4 1441 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,1,0,0,0,0|2,1,0]=4 1442 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,1,0,0,0,0|2,1,0]=4 1443 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,1,0,0,0,0|2,1,0]=4 1444 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,1,0,0,0,0|2,1,0]=4 1445 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,1,0,0,0,0|2,1,0]=4 1446 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [0,1,0,0,0,0|2,1,0]=4 1447 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,1,0,0,0,0|0,1,0]=2 1448 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,1,0,0,0,0|2,0,1]=4 1449 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,1,0,0,0,0|2,0,1]=4 1450 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,1,0,0,0,0|2,0,1]=4 1451 B9R0.5 CCSCCC(=O)CC#N 1458a_100000230768_100011214920 [0,1,0,0,0,0|2,0,1]=4 1452 B9R0.5 CCSCCC(=O)CC#N 1458a_100051588842_100000757381 [0,1,0,0,0,0|2,0,1]=4 1453 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,1,0,0,0,0|2,0,0]=3 1454 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,1,0,0,0,0|2,0,0]=3 1455 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,1,0,0,0,0|2,0,0]=3 1456 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,1,0,0,0,0|2,0,0]=3 1457 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,1,0,0,0,0|2,0,0]=3 1458 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,1,0,0,0,0|2,0,0]=3 1459 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [0,1,0,0,0,0|2,1,0]=4 1460 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [0,1,0,0,0,0|2,1,0]=4 1461 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [0,1,0,0,0,0|2,1,0]=4 1462 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [0,1,0,0,0,0|2,1,0]=4 1463 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,1,0,0,0,0|2,1,0]=4 1464 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,1,0,0,0,0|2,1,0]=4 1465 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,1,0,0,0,0|2,1,0]=4 1466 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [0,1,0,0,0,0|2,1,0]=4 1467 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,1,0,0,0,0|2,0,0]=3 1468 B9R0.5 CNNC(=O)NCCOC 273464a_100000209980_100016993582 [0,1,0,0,0,0|2,1,0]=4 1469 B9R0.5 CNNC(=O)NCCSC 273464a_100020590264_100016993582 [0,1,0,0,0,0|2,0,0]=3 1470 B9R0.5 CNNC(=O)NCCSC 512a_100016993582_100020590264 [0,1,0,0,0,0|2,0,0]=3 1471 B9R0.5 CNNC(=O)NCCSC 512a_100020590264_100016993582 [0,1,0,0,0,0|2,0,0]=3 1472 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,1,0,0,0,0|3,0,0]=4 1473 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,1,0,0,0,0|3,0,0]=4 1474 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,1,0,0,0,0|2,0,0]=3 1475 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,1,0,0,0,0|2,0,0]=3 1476 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,1,0,0,0,0|2,0,0]=3 1477 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,1,0,0,0,0|2,0,0]=3 1478 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,1,0,0,0,0|2,1,0]=4 1479 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,1,0,0,0,0|2,1,0]=4 1480 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,1,0,0,0,0|2,1,0]=4 1481 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,1,0,0,0,0|2,1,0]=4 1482 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,1,0,0,0,0|2,1,0]=4 1483 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,1,0,0,0,0|2,1,0]=4 1484 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [0,1,0,0,0,0|2,1,0]=4 1485 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,1,0,0,0,0|2,1,0]=4 1486 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,1,0,0,0,0|2,1,0]=4 1487 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,1,0,0,0,0|2,1,0]=4 1488 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,1,0,0,0,0|2,1,0]=4 1489 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [0,1,0,0,0,0|2,1,0]=4 1490 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [0,1,0,0,0,0|2,1,0]=4 1491 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [0,1,0,0,0,0|2,1,0]=4 1492 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [0,1,0,0,0,0|2,1,0]=4 1493 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [0,1,0,0,0,0|2,1,0]=4 1494 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [0,1,0,0,0,0|2,1,0]=4 1495 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [0,1,0,0,0,0|2,1,0]=4 1496 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,1,0,0,0,0|2,1,0]=4 1497 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,1,0,0,0,0|2,1,0]=4 1498 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,1,0,0,0,0|2,1,0]=4 1499 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,1,0,0,0,0|2,1,0]=4 1500 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,1,0,0,0,0|2,1,0]=4 1501 B9R0.5 COCSCC(=O)NCO 62a_100000185155_100000766300 [0,1,0,0,0,0|2,1,0]=4 1502 B9R0.5 COCSCC(=O)NCO 62a_100000766300_100000185155 [0,1,0,0,0,0|2,1,0]=4 1503 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,1,0,0,0,0|3,0,0]=4 1504 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,1,0,0,0,0|3,0,0]=4 1505 B9R0.5 CSCCCC(=O)CC#N 1458a_100000173376_100011214920 [0,1,0,0,0,0|2,0,1]=4 1506 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,1,0,0,0,0|2,0,0]=3 1507 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,1,0,0,0,0|2,0,0]=3 1508 B9R0.5 CSCCNC(=O)C=CBr 1626a_100020590264_100016273825 [0,1,0,0,0,0|2,0,1]=4 1509 B9R0.5 CSCCNC(=O)C=CBr 240690a_100020590264_100016273825 [0,1,0,0,0,0|2,0,1]=4 1510 B9R0.5 CSCCNC(=O)C=CCl 11a_100020590264_200016279998 [0,1,0,0,0,0|2,0,1]=4 1511 B9R0.5 CSCCNC(=O)C=CCl 1626a_100020590264_200016279998 [0,1,0,0,0,0|2,0,1]=4 1512 B9R0.5 CSCCNC(=O)C=CCl 240690a_100020590264_200016279998 [0,1,0,0,0,0|2,0,1]=4 1513 B9R0.5 CSCCNC(=O)C=CI 1626a_100020590264_100016256311 [0,1,0,0,0,0|2,0,1]=4 1514 B9R0.5 CSCCNC(=O)CC#N 1626a_100020590264_100051588842 [0,1,0,0,0,0|2,0,1]=4 1515 B9R0.5 CSCCNC(=O)CC#N 240690a_100020590264_100051588842 [0,1,0,0,0,0|2,0,1]=4 1516 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [0,1,0,0,0,0|2,0,0]=3 1517 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [0,1,0,0,0,0|2,0,0]=3 1518 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [0,1,0,0,0,0|2,0,0]=3 1519 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [0,1,0,0,0,0|2,0,0]=3 1520 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [0,1,0,0,0,0|2,0,0]=3 1521 B9R0.5 CSCSCC(=O)NCO 62a_100000185155_100011218213 [0,1,0,0,0,0|2,0,0]=3 1522 B9R0.5 CSCSCC(=O)NCO 62a_100011218213_100000185155 [0,1,0,0,0,0|2,0,0]=3 1523 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,1,0,0,0,0|3,0,0]=4 1524 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,1,0,0,0,0|3,0,0]=4 1525 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,1,0,0,0,0|3,0,0]=4 1526 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,1,0,0,0,0|3,0,0]=4 1527 B9R0.8 C#CC(C)C(=O)CCSC 1458a_100000174002_200000035995 [0,1,0,0,0,0|1,0,2]=4 1528 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100000692101_100000758301 [0,1,0,0,0,0|2,0,1]=4 1529 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100011192722_100000753159 [0,1,0,0,0,0|2,0,1]=4 1530 B9R0.8 C#CCCC(=O)C(O)CC 1458a_100011196387_100000753159 [0,1,0,0,0,0|2,0,1]=4 1531 B9R0.8 C#CCCC(=O)N(C)CC 11a_100000225621_100000692101 [0,1,0,0,0,0|2,0,1]=4 1532 B9R0.8 C#CCCC(=O)N(C)CC 1626a_100000225621_100000692101 [0,1,0,0,0,0|2,0,1]=4 1533 B9R0.8 C#CCCC(=O)N(C)CC 240690a_100000225621_100000692101 [0,1,0,0,0,0|2,0,1]=4 1534 B9R0.8 C#CCCC(=O)N(C)CC 527a_100000225621_100000692101 [0,1,0,0,0,0|2,0,1]=4 1535 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,1,0,0,0,0|2,0,1]=4 1536 B9R0.8 C/C=C(\C)/C(=O)CCOC 1458a_100020587367_100000233755 [0,1,0,0,0,0|1,1,1]=4 1537 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,1,0,0,0,0|1,0,1]=3 1538 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [0,1,0,0,0,0|2,0,1]=4 1539 B9R0.8 C/C=C/CC(=O)C(O)CC 1458a_100011196387_100102629194 [0,1,0,0,0,0|2,0,1]=4 1540 B9R0.8 C=CC(C)C(=O)CCSC 1458a_100011216780_100000751147 [0,1,0,0,0,0|1,0,2]=4 1541 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [0,1,0,0,0,0|2,0,1]=4 1542 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [0,1,0,0,0,0|2,0,1]=4 1543 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [0,1,0,0,0,0|2,0,1]=4 1544 B9R0.8 C=CCCC(=O)N(C)CC 11a_100000225621_100000749702 [0,1,0,0,0,0|2,0,1]=4 1545 B9R0.8 C=CCCC(=O)N(C)CC 1626a_100000225621_100000749702 [0,1,0,0,0,0|2,0,1]=4 1546 B9R0.8 C=CCCC(=O)N(C)CC 240690a_100000225621_100000749702 [0,1,0,0,0,0|2,0,1]=4 1547 B9R0.8 C=CCCC(=O)N(C)CC 527a_100000225621_100000749702 [0,1,0,0,0,0|2,0,1]=4 1548 B9R0.8 CC#CCC(=O)C(C)CC 1458a_100011192722_100000748600 [0,1,0,0,0,0|2,0,1]=4 1549 B9R0.8 CC#CCC(=O)C(O)CC 1458a_100011196387_100000748600 [0,1,0,0,0,0|2,0,1]=4 1550 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [0,1,0,0,0,0|2,0,1]=4 1551 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [0,1,0,0,0,0|2,0,1]=4 1552 B9R0.8 CC=CCC(=O)C(O)CC 1458a_100011196387_100000070051 [0,1,0,0,0,0|2,0,1]=4 1553 B9R0.8 CC=CCC(=O)N(C)CC 11a_100000225621_100121576822 [0,1,0,0,0,0|2,0,1]=4 1554 B9R0.8 CC=CCC(=O)N(C)CC 1626a_100000225621_100121576822 [0,1,0,0,0,0|2,0,1]=4 1555 B9R0.8 CC=CCC(=O)N(C)CC 240690a_100000225621_100121576822 [0,1,0,0,0,0|2,0,1]=4 1556 B9R0.8 CC=CCC(=O)N(C)CC 527a_100000225621_100121576822 [0,1,0,0,0,0|2,0,1]=4 1557 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,1,0,0,0,0|1,0,2]=4 1558 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 1559 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 1560 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 1561 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 1562 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011192722_100011215226 [0,1,0,0,0,0|3,0,0]=4 1563 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011934036_100000758301 [0,1,0,0,0,0|3,0,0]=4 1564 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,1,0,0,0,0|3,0,0]=4 1565 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,1,0,0,0,0|3,0,0]=4 1566 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,1,0,0,0,0|1,1,0]=3 1567 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,1,0,0,0,0|1,1,0]=3 1568 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,1,0,0,0,0|1,0,0]=2 1569 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,1,0,0,0,0|1,0,0]=2 1570 B9R0.8 CCC(C)N(C)CCSC 2230a_100000686725_100000758301 [0,1,0,0,0,0|3,0,0]=4 1571 B9R0.8 CCC(C)N(C)CCSC 2230a_100000741768_100000751147 [0,1,0,0,0,0|3,0,0]=4 1572 B9R0.8 CCC(C)N(C)CCSC 269982a_100000686725_100000758301 [0,1,0,0,0,0|3,0,0]=4 1573 B9R0.8 CCC(C)N(C)CCSC 269982a_100000741768_100000212216 [0,1,0,0,0,0|3,0,0]=4 1574 B9R0.8 CCC(O)C(=O)CCC#N 1458a_100011196387_100011215226 [0,1,0,0,0,0|3,0,0]=4 1575 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,1,0,0,0,0|3,0,0]=4 1576 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,1,0,0,0,0|3,0,0]=4 1577 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,1,0,0,0,0|1,1,0]=3 1578 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,1,0,0,0,0|1,0,0]=2 1579 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,1,0,0,0,0|3,0,0]=4 1580 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,1,0,0,0,0|2,0,0]=3 1581 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,1,0,0,0,0|2,0,0]=3 1582 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,1,0,0,0,0|3,0,0]=4 1583 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [0,1,0,0,0,0|3,0,0]=4 1584 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,1,0,0,0,0|2,0,0]=3 1585 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,1,0,0,0,0|3,0,0]=4 1586 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,1,0,0,0,0|2,0,0]=3 1587 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,1,0,0,0,0|2,0,0]=3 1588 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,1,0,0,0,0|2,0,0]=3 1589 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,1,0,0,0,0|2,0,0]=3 1590 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,1,0,0,0,0|3,0,0]=4 1591 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,1,0,0,0,0|3,0,0]=4 1592 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,1,0,0,0,0|3,0,0]=4 1593 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,1,0,0,0,0|3,0,0]=4 1594 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,1,0,0,0,0|3,0,0]=4 1595 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,1,0,0,0,0|3,0,0]=4 1596 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [0,1,0,0,0,0|3,0,0]=4 1597 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [0,1,0,0,0,0|3,0,0]=4 1598 B9R0.8 CCN(C)C(=O)CCC#N 11a_100000225621_100011934036 [0,1,0,0,0,0|3,0,0]=4 1599 B9R0.8 CCN(C)C(=O)CCC#N 1626a_100000225621_100011934036 [0,1,0,0,0,0|3,0,0]=4 1600 B9R0.8 CCN(C)C(=O)CCC#N 240690a_100000225621_100011934036 [0,1,0,0,0,0|3,0,0]=4 1601 B9R0.8 CCN(C)C(=O)CCC#N 527a_100000225621_100011934036 [0,1,0,0,0,0|3,0,0]=4 1602 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [0,1,0,0,0,0|1,1,0]=3 1603 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [0,1,0,0,0,0|1,1,0]=3 1604 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [0,1,0,0,0,0|1,1,0]=3 1605 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [0,1,0,0,0,0|1,1,0]=3 1606 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,1,0,0,0,0|1,0,0]=2 1607 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,1,0,0,0,0|1,0,0]=2 1608 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,1,0,0,0,0|1,0,0]=2 1609 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,1,0,0,0,0|1,0,0]=2 1610 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [0,1,0,0,0,0|3,0,0]=4 1611 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,1,0,0,0,0|3,0,0]=4 1612 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,1,0,0,0,0|3,0,0]=4 1613 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,1,0,0,0,0|3,0,0]=4 1614 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,1,0,0,0,0|3,0,0]=4 1615 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,1,0,0,0,0|3,0,0]=4 1616 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,1,0,0,0,0|3,0,0]=4 1617 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [0,1,0,0,0,0|3,0,0]=4 1618 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [0,1,0,0,0,0|3,0,0]=4 1619 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [0,1,0,0,0,0|3,0,0]=4 1620 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [0,1,0,0,0,0|3,0,0]=4 1621 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [0,1,0,0,0,0|3,0,0]=4 1622 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [0,1,0,0,0,0|3,0,0]=4 1623 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [0,1,0,0,0,0|3,0,0]=4 1624 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,1,0,0,0,0|2,1,0]=4 1625 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,1,0,0,0,0|2,0,0]=3 1626 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,1,0,0,0,0|2,0,0]=3 1627 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [0,1,0,0,0,0|2,1,0]=4 1628 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [0,1,0,0,0,0|2,1,0]=4 1629 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [0,1,0,0,0,0|2,1,0]=4 1630 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000174002_100000703298 [0,1,0,0,0,0|2,0,1]=4 1631 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000753662_100000751147 [0,1,0,0,0,0|2,0,1]=4 1632 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [0,1,0,0,0,0|2,0,0]=3 1633 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,1,0,0,0,0|2,0,0]=3 1634 B9R0.18 C#CCCC(=O)C#CCC 1458a_100011827653_100000753159 [0,1,0,0,0,0|2,0,1]=4 1635 B9R0.18 C#CCCC(=O)C=CCC 1458a_100000212282_100000753159 [0,1,0,0,0,0|2,0,1]=4 1636 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [0,1,0,0,0,0|2,0,1]=4 1637 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [0,1,0,0,0,0|2,0,1]=4 1638 B9R0.18 C#CCCC(=O)CCCF 1458a_100000692101_100011934791 [0,1,0,0,0,0|2,0,1]=4 1639 B9R0.18 C#CCCC(=O)CCCO 1458a_100000692101_100011215043 [0,1,0,0,0,0|2,0,1]=4 1640 B9R0.18 C#CCCC(=O)CCOC 1458a_100000692101_100000233755 [0,1,0,0,0,0|1,1,1]=4 1641 B9R0.18 C#CCCC(=O)CCOC 1458a_100000749529_100000753159 [0,1,0,0,0,0|1,1,1]=4 1642 B9R0.18 C#CCCC(=O)CCOC 34a_100011064465_200000210301 [0,1,0,0,0,0|1,1,1]=4 1643 B9R0.18 C#CCCC(=O)CCOC 7a_100011064465_200000210301 [0,1,0,0,0,0|1,1,1]=4 1644 B9R0.18 C#CCCC(=O)CCO[13CH3] 34a_100011064465_200025704644 [0,1,0,0,0,0|1,1,1]=4 1645 B9R0.18 C#CCCC(=O)CCO[13CH3] 7a_100011064465_200025704644 [0,1,0,0,0,0|1,1,1]=4 1646 B9R0.18 C#CCCC(=O)CCSC 1458a_100000174002_100000753159 [0,1,0,0,0,0|1,0,1]=3 1647 B9R0.18 C#CCCC(=O)CCSC 1458a_100000692101_100000751147 [0,1,0,0,0,0|1,0,1]=3 1648 B9R0.18 C#CCCC(=O)COCC 1458a_100000211967_100000753159 [0,1,0,0,0,0|1,0,1]=3 1649 B9R0.18 C#CCCC(=O)CSCC 1458a_100000230394_100000753159 [0,1,0,0,0,0|1,1,1]=4 1650 B9R0.18 C#CCCC(=O)NCCC 11a_100020643023_100000692101 [0,1,0,0,0,0|2,0,1]=4 1651 B9R0.18 C#CCCC(=O)NCCC 1626a_100020643023_100000692101 [0,1,0,0,0,0|2,0,1]=4 1652 B9R0.18 C#CCCC(=O)NCCC 240690a_100020643023_100000692101 [0,1,0,0,0,0|2,0,1]=4 1653 B9R0.18 C#CCCC(=O)NCCC 527a_100020643023_100000692101 [0,1,0,0,0,0|2,0,1]=4 1654 B9R0.18 C#CCCC(=O)NCCF 11a_100000724931_100000692101 [0,1,0,0,0,0|2,0,1]=4 1655 B9R0.18 C#CCCC(=O)NCCF 1626a_100000724931_100000692101 [0,1,0,0,0,0|2,0,1]=4 1656 B9R0.18 C#CCCC(=O)NCCF 240690a_100000724931_100000692101 [0,1,0,0,0,0|2,0,1]=4 1657 B9R0.18 C#CCCC(=O)NCCF 527a_100000724931_100000692101 [0,1,0,0,0,0|2,0,1]=4 1658 B9R0.18 C#CCCC(=O)NCCO 240690a_100000210304_100000692101 [0,1,0,0,0,0|2,0,1]=4 1659 B9R0.18 C#CCCC(=O)NCCO 527a_100000210304_100000692101 [0,1,0,0,0,0|2,0,1]=4 1660 B9R0.18 C#CCCC(=O)NNCC 22a_100000756455_100000692101 [0,1,0,0,0,0|2,0,1]=4 1661 B9R0.18 C#CCNC(=O)CCCC 11a_100000212058_100000210183 [0,1,0,0,0,0|2,0,1]=4 1662 B9R0.18 C#CCNC(=O)CCCC 1626a_100000212058_100000210183 [0,1,0,0,0,0|2,0,1]=4 1663 B9R0.18 C#CCNC(=O)CCCC 240690a_100000212058_100000210183 [0,1,0,0,0,0|2,0,1]=4 1664 B9R0.18 C#CCNC(=O)CCCC 527a_100000212058_100000210183 [0,1,0,0,0,0|2,0,1]=4 1665 B9R0.18 C#CCNC(=O)CCOC 11a_100000212058_100000749529 [0,1,0,0,0,0|1,1,1]=4 1666 B9R0.18 C#CCNC(=O)CCOC 1626a_100000212058_100000749529 [0,1,0,0,0,0|1,1,1]=4 1667 B9R0.18 C#CCNC(=O)CCOC 240690a_100000212058_100000749529 [0,1,0,0,0,0|1,1,1]=4 1668 B9R0.18 C#CCNC(=O)CCOC 527a_100000212058_100000749529 [0,1,0,0,0,0|1,1,1]=4 1669 B9R0.18 C#CCNC(=O)CCSC 11a_100000212058_100000174002 [0,1,0,0,0,0|1,0,1]=3 1670 B9R0.18 C#CCNC(=O)CCSC 1626a_100000212058_100000174002 [0,1,0,0,0,0|1,0,1]=3 1671 B9R0.18 C#CCNC(=O)CCSC 240690a_100000212058_100000174002 [0,1,0,0,0,0|1,0,1]=3 1672 B9R0.18 C#CCNC(=O)CCSC 527a_100000212058_100000174002 [0,1,0,0,0,0|1,0,1]=3 1673 B9R0.18 C#CCNC(=O)COCC 11a_100000212058_100000211967 [0,1,0,0,0,0|2,0,1]=4 1674 B9R0.18 C#CCNC(=O)COCC 1626a_100000212058_100000211967 [0,1,0,0,0,0|2,0,1]=4 1675 B9R0.18 C#CCNC(=O)COCC 240690a_100000212058_100000211967 [0,1,0,0,0,0|2,0,1]=4 1676 B9R0.18 C#CCNC(=O)COCC 527a_100000212058_100000211967 [0,1,0,0,0,0|2,0,1]=4 1677 B9R0.18 C/C=C/CC(=O)C#CCC 1458a_100011827653_100102629194 [0,1,0,0,0,0|2,0,1]=4 1678 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [0,1,0,0,0,0|2,0,1]=4 1679 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,1,0,0,0,0|2,0,1]=4 1680 B9R0.18 C/C=C/CC(=O)CCOC 1458a_100000749529_100102629194 [0,1,0,0,0,0|1,1,1]=4 1681 B9R0.18 C/C=C/CC(=O)CCSC 1458a_100000174002_100102629194 [0,1,0,0,0,0|1,0,1]=3 1682 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [0,1,0,0,0,0|1,0,1]=3 1683 B9R0.18 C/C=C/CC(=O)CSCC 1458a_100000230394_100102629194 [0,1,0,0,0,0|1,1,1]=4 1684 B9R0.18 C=C(COCC)OCOC 34a_100121572206_100000042856 [0,1,0,0,0,0|2,1,0]=4 1685 B9R0.18 C=C(CSCC)OCOC 62a_100000042856_100000210202 [0,1,0,0,0,0|3,0,0]=4 1686 B9R0.18 C=C(CSCC)OCOC 62a_100000210202_100000042856 [0,1,0,0,0,0|3,0,0]=4 1687 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [0,1,0,0,0,0|1,0,2]=4 1688 B9R0.18 C=CCCC(=O)C#CCC 1458a_100011827653_100000754431 [0,1,0,0,0,0|2,0,1]=4 1689 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [0,1,0,0,0,0|2,0,1]=4 1690 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,1,0,0,0,0|2,0,1]=4 1691 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,1,0,0,0,0|2,0,1]=4 1692 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [0,1,0,0,0,0|2,0,1]=4 1693 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [0,1,0,0,0,0|2,0,1]=4 1694 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [0,1,0,0,0,0|1,1,1]=4 1695 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [0,1,0,0,0,0|1,1,1]=4 1696 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [0,1,0,0,0,0|1,0,1]=3 1697 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [0,1,0,0,0,0|1,0,1]=3 1698 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [0,1,0,0,0,0|1,0,1]=3 1699 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [0,1,0,0,0,0|1,1,1]=4 1700 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [0,1,0,0,0,0|2,0,1]=4 1701 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [0,1,0,0,0,0|2,0,1]=4 1702 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [0,1,0,0,0,0|2,0,1]=4 1703 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [0,1,0,0,0,0|2,0,1]=4 1704 B9R0.18 C=CCCC(=O)NCCF 11a_100000724931_100000749702 [0,1,0,0,0,0|2,0,1]=4 1705 B9R0.18 C=CCCC(=O)NCCF 1626a_100000724931_100000749702 [0,1,0,0,0,0|2,0,1]=4 1706 B9R0.18 C=CCCC(=O)NCCF 240690a_100000724931_100000749702 [0,1,0,0,0,0|2,0,1]=4 1707 B9R0.18 C=CCCC(=O)NCCF 527a_100000724931_100000749702 [0,1,0,0,0,0|2,0,1]=4 1708 B9R0.18 C=CCCC(=O)NCCO 240690a_100000210304_100000749702 [0,1,0,0,0,0|2,0,1]=4 1709 B9R0.18 C=CCCC(=O)NCCO 527a_100000210304_100000749702 [0,1,0,0,0,0|2,0,1]=4 1710 B9R0.18 C=CCCC(=O)NNCC 22a_100000756455_100000749702 [0,1,0,0,0,0|2,0,1]=4 1711 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [0,1,0,0,0,0|2,0,1]=4 1712 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [0,1,0,0,0,0|2,0,1]=4 1713 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [0,1,0,0,0,0|2,0,1]=4 1714 B9R0.18 C=CCNC(=O)CCNC 2230a_106832991635_100011222895 [0,1,0,0,0,0|2,0,1]=4 1715 B9R0.18 C=CCNC(=O)CCNC 7a_106832991635_100011222895 [0,1,0,0,0,0|2,0,1]=4 1716 B9R0.18 C=CCNC(=O)CCOC 1626a_100020586998_100000749529 [0,1,0,0,0,0|1,1,1]=4 1717 B9R0.18 C=CCNC(=O)CCOC 240690a_100020586998_100000749529 [0,1,0,0,0,0|1,1,1]=4 1718 B9R0.18 C=CCNC(=O)CCOC 527a_100020586998_100000749529 [0,1,0,0,0,0|1,1,1]=4 1719 B9R0.18 C=CCNC(=O)CCSC 1626a_100020586998_100000174002 [0,1,0,0,0,0|1,0,1]=3 1720 B9R0.18 C=CCNC(=O)CCSC 240690a_100020586998_100000174002 [0,1,0,0,0,0|1,0,1]=3 1721 B9R0.18 C=CCNC(=O)CCSC 527a_100020586998_100000174002 [0,1,0,0,0,0|1,0,1]=3 1722 B9R0.18 C=CCNC(=O)CCSC 62a_100011222895_200000210301 [0,1,0,0,0,0|1,0,1]=3 1723 B9R0.18 C=CCNC(=O)CCSC 62a_200000210301_100011222895 [0,1,0,0,0,0|1,0,1]=3 1724 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_100011222895_200025704644 [0,1,0,0,0,0|1,0,1]=3 1725 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_200025704644_100011222895 [0,1,0,0,0,0|1,0,1]=3 1726 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [0,1,0,0,0,0|2,0,1]=4 1727 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [0,1,0,0,0,0|2,0,1]=4 1728 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [0,1,0,0,0,0|2,0,1]=4 1729 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,1,0,0,0,0|2,0,1]=4 1730 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,1,0,0,0,0|2,0,1]=4 1731 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [0,1,0,0,0,0|2,0,1]=4 1732 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [0,1,0,0,0,0|2,0,1]=4 1733 B9R0.18 CC#CCC(=O)C#CCC 1458a_100011827653_100000748600 [0,1,0,0,0,0|2,0,1]=4 1734 B9R0.18 CC#CCC(=O)C=CCC 1458a_100000212282_100000748600 [0,1,0,0,0,0|2,0,1]=4 1735 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [0,1,0,0,0,0|2,0,1]=4 1736 B9R0.18 CC#CCC(=O)CCOC 1458a_100000749529_100000748600 [0,1,0,0,0,0|1,1,1]=4 1737 B9R0.18 CC#CCC(=O)CCSC 1458a_100000174002_100000748600 [0,1,0,0,0,0|1,0,1]=3 1738 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [0,1,0,0,0,0|1,0,1]=3 1739 B9R0.18 CC#CCC(=O)CSCC 1458a_100000230394_100000748600 [0,1,0,0,0,0|1,1,1]=4 1740 B9R0.18 CC=CCC(=O)C#CCC 1458a_100011827653_100000070051 [0,1,0,0,0,0|2,0,1]=4 1741 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [0,1,0,0,0,0|2,0,1]=4 1742 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,1,0,0,0,0|2,0,1]=4 1743 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,1,0,0,0,0|2,0,1]=4 1744 B9R0.18 CC=CCC(=O)CCCF 1458a_100121576822_100011934791 [0,1,0,0,0,0|2,0,1]=4 1745 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [0,1,0,0,0,0|2,0,1]=4 1746 B9R0.18 CC=CCC(=O)CCOC 1458a_100000749529_100000070051 [0,1,0,0,0,0|1,1,1]=4 1747 B9R0.18 CC=CCC(=O)CCOC 1458a_100121576822_100000233755 [0,1,0,0,0,0|1,1,1]=4 1748 B9R0.18 CC=CCC(=O)CCSC 1458a_100000174002_100000070051 [0,1,0,0,0,0|1,0,1]=3 1749 B9R0.18 CC=CCC(=O)CCSC 1458a_100121576822_100000751147 [0,1,0,0,0,0|1,0,1]=3 1750 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [0,1,0,0,0,0|1,0,1]=3 1751 B9R0.18 CC=CCC(=O)CSCC 1458a_100000230394_100000070051 [0,1,0,0,0,0|1,1,1]=4 1752 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [0,1,0,0,0,0|2,0,1]=4 1753 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [0,1,0,0,0,0|2,0,1]=4 1754 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [0,1,0,0,0,0|2,0,1]=4 1755 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [0,1,0,0,0,0|2,0,1]=4 1756 B9R0.18 CC=CCC(=O)NCCF 11a_100000724931_100121576822 [0,1,0,0,0,0|2,0,1]=4 1757 B9R0.18 CC=CCC(=O)NCCF 1626a_100000724931_100121576822 [0,1,0,0,0,0|2,0,1]=4 1758 B9R0.18 CC=CCC(=O)NCCF 240690a_100000724931_100121576822 [0,1,0,0,0,0|2,0,1]=4 1759 B9R0.18 CC=CCC(=O)NCCF 527a_100000724931_100121576822 [0,1,0,0,0,0|2,0,1]=4 1760 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [0,1,0,0,0,0|2,0,1]=4 1761 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [0,1,0,0,0,0|2,0,1]=4 1762 B9R0.18 CC=CCC(=O)NNCC 22a_100000756455_100121576822 [0,1,0,0,0,0|2,0,1]=4 1763 B9R0.18 CC=NNC(=O)CCCC 4a_100000189769_200000210099 [0,1,0,0,0,0|2,0,1]=4 1764 B9R0.18 CC=NNC(=O)CCOC 4a_100011260505_200000210099 [0,1,0,0,0,0|1,1,1]=4 1765 B9R0.18 CC=NNC(=O)COCC 4a_100000216846_200000210099 [0,1,0,0,0,0|3,0,0]=4 1766 B9R0.18 CCC#CC(=O)CCC#N 1458a_100011827653_100011215226 [0,1,0,0,0,0|3,0,0]=4 1767 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [0,1,0,0,0,0|2,0,0]=3 1768 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [0,1,0,0,0,0|3,0,0]=4 1769 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [0,1,0,0,0,0|3,0,0]=4 1770 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [0,1,0,0,0,0|1,1,0]=3 1771 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [0,1,0,0,0,0|1,0,0]=2 1772 B9R0.18 CCC=CC(=O)CCC#N 1458a_100000212282_100011215226 [0,1,0,0,0,0|3,0,0]=4 1773 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,1,0,0,0,0|2,0,0]=3 1774 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [0,1,0,0,0,0|3,0,0]=4 1775 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,1,0,0,0,0|3,0,0]=4 1776 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [0,1,0,0,0,0|1,1,0]=3 1777 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [0,1,0,0,0,0|1,0,0]=2 1778 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [0,1,0,0,0,0|3,0,0]=4 1779 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [0,1,0,0,0,0|3,0,0]=4 1780 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [0,1,0,0,0,0|3,0,0]=4 1781 B9R0.18 CCCCC(=NNCC)C 4a_100000756455_100000210087 [0,1,0,0,0,0|3,0,0]=4 1782 B9R0.18 CCCCC(=O)C#CCO 1458a_100000049017_100000210211 [0,1,0,0,0,0|2,0,1]=4 1783 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [0,1,0,0,0,0|2,0,1]=4 1784 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [0,1,0,0,0,0|2,0,1]=4 1785 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [0,1,0,0,0,0|2,0,1]=4 1786 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [0,1,0,0,0,0|2,0,0]=3 1787 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [0,1,0,0,0,0|2,0,0]=3 1788 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,1,0,0,0,0|2,0,0]=3 1789 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,1,0,0,0,0|1,1,0]=3 1790 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,1,0,0,0,0|1,1,0]=3 1791 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,1,0,0,0,0|1,0,0]=2 1792 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,1,0,0,0,0|1,0,0]=2 1793 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,1,0,0,0,0|1,0,0]=2 1794 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [0,1,0,0,0,0|1,1,0]=3 1795 B9R0.18 CCCCC(=O)NCC#N 1626a_100000734998_100000210183 [0,1,0,0,0,0|2,0,1]=4 1796 B9R0.18 CCCCC(=O)NCC#N 527a_100000734998_100000210183 [0,1,0,0,0,0|2,0,1]=4 1797 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [0,1,0,0,0,0|2,0,0]=3 1798 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [0,1,0,0,0,0|2,0,0]=3 1799 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [0,1,0,0,0,0|2,0,0]=3 1800 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [0,1,0,0,0,0|2,0,0]=3 1801 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [0,1,0,0,0,0|2,0,0]=3 1802 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [0,1,0,0,0,0|2,0,0]=3 1803 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [0,1,0,0,0,0|2,0,0]=3 1804 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [0,1,0,0,0,0|2,0,0]=3 1805 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [0,1,0,0,0,0|2,0,0]=3 1806 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [0,1,0,0,0,0|2,0,0]=3 1807 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [0,1,0,0,0,0|2,0,0]=3 1808 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [0,1,0,0,0,0|2,0,1]=4 1809 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [0,1,0,0,0,0|2,0,1]=4 1810 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [0,1,0,0,0,0|2,0,1]=4 1811 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [0,1,0,0,0,0|2,0,1]=4 1812 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [0,1,0,0,0,0|2,0,1]=4 1813 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [0,1,0,0,0,0|2,0,1]=4 1814 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [0,1,0,0,0,0|2,0,1]=4 1815 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [0,1,0,0,0,0|2,0,1]=4 1816 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [0,1,0,0,0,0|2,0,1]=4 1817 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [0,1,0,0,0,0|2,0,1]=4 1818 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [0,1,0,0,0,0|2,0,1]=4 1819 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [0,1,0,0,0,0|2,0,1]=4 1820 B9R0.18 CCCCN(C)CCSC 2230a_100000207549_100000751147 [0,1,0,0,0,0|3,0,0]=4 1821 B9R0.18 CCCCN(C)CCSC 2230a_100000686725_100000210211 [0,1,0,0,0,0|3,0,0]=4 1822 B9R0.18 CCCCN(C)CCSC 269982a_100000207549_100000212216 [0,1,0,0,0,0|3,0,0]=4 1823 B9R0.18 CCCCN(C)CCSC 269982a_100000686725_100000210211 [0,1,0,0,0,0|3,0,0]=4 1824 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [0,1,0,0,0,0|3,0,0]=4 1825 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [0,1,0,0,0,0|2,0,1]=4 1826 B9R0.18 CCCNC(=O)CCC#N 11a_100020643023_100011934036 [0,1,0,0,0,0|3,0,0]=4 1827 B9R0.18 CCCNC(=O)CCC#N 1626a_100020643023_100011934036 [0,1,0,0,0,0|3,0,0]=4 1828 B9R0.18 CCCNC(=O)CCC#N 240690a_100020643023_100011934036 [0,1,0,0,0,0|3,0,0]=4 1829 B9R0.18 CCCNC(=O)CCC#N 527a_100020643023_100011934036 [0,1,0,0,0,0|3,0,0]=4 1830 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [0,1,0,0,0,0|1,1,0]=3 1831 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [0,1,0,0,0,0|1,1,0]=3 1832 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [0,1,0,0,0,0|1,1,0]=3 1833 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [0,1,0,0,0,0|1,1,0]=3 1834 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [0,1,0,0,0,0|1,0,0]=2 1835 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [0,1,0,0,0,0|1,0,0]=2 1836 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [0,1,0,0,0,0|1,0,0]=2 1837 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [0,1,0,0,0,0|1,0,0]=2 1838 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [0,1,0,0,0,0|3,0,0]=4 1839 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [0,1,0,0,0,0|3,0,0]=4 1840 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [0,1,0,0,0,0|2,0,0]=3 1841 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [0,1,0,0,0,0|2,0,0]=3 1842 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [0,1,0,0,0,0|2,0,0]=3 1843 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [0,1,0,0,0,0|2,0,0]=3 1844 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [0,1,0,0,0,0|2,0,0]=3 1845 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [0,1,0,0,0,0|2,1,0]=4 1846 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [0,1,0,0,0,0|2,1,0]=4 1847 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [0,1,0,0,0,0|2,1,0]=4 1848 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [0,1,0,0,0,0|2,1,0]=4 1849 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [0,1,0,0,0,0|2,1,0]=4 1850 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [0,1,0,0,0,0|2,1,0]=4 1851 B9R0.18 CCCNC(=O)NCCC 2708a_100020643023_100020643023 [0,1,0,0,0,0|3,0,0]=4 1852 B9R0.18 CCCNC(=O)NCCC 273464a_100020643023_100020643023 [0,1,0,0,0,0|3,0,0]=4 1853 B9R0.18 CCCNC(=O)NCCC 512a_100020643023_100020643023 [0,1,0,0,0,0|3,0,0]=4 1854 B9R0.18 CCCNC(=O)NCCF 2708a_100020643023_100000724931 [0,1,0,0,0,0|3,0,0]=4 1855 B9R0.18 CCCNC(=O)NCCF 273464a_100000724931_100020643023 [0,1,0,0,0,0|3,0,0]=4 1856 B9R0.18 CCCNC(=O)NCCF 273464a_100020643023_100000724931 [0,1,0,0,0,0|3,0,0]=4 1857 B9R0.18 CCCNC(=O)NCCF 512a_100020643023_100000724931 [0,1,0,0,0,0|3,0,0]=4 1858 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [0,1,0,0,0,0|3,0,0]=4 1859 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [0,1,0,0,0,0|3,0,0]=4 1860 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [0,1,0,0,0,0|3,0,0]=4 1861 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [0,1,0,0,0,0|3,0,0]=4 1862 B9R0.18 CCCNC(=O)NNCC 273464a_100020643023_100000756455 [0,1,0,0,0,0|3,0,0]=4 1863 B9R0.18 CCCNC(=O)NNCC 512a_100000756455_100020643023 [0,1,0,0,0,0|3,0,0]=4 1864 B9R0.18 CCCNC(=O)NNCC 512a_100020643023_100000756455 [0,1,0,0,0,0|3,0,0]=4 1865 B9R0.18 CCCNC(C)CCSC 270004a_100020643023_100011217047 [0,1,0,0,0,0|2,0,1]=4 1866 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [0,1,0,0,0,0|2,0,0]=3 1867 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [0,1,0,0,0,0|2,0,0]=3 1868 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [0,1,0,0,0,0|2,0,0]=3 1869 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [0,1,0,0,0,0|2,0,0]=3 1870 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [0,1,0,0,0,0|3,0,0]=4 1871 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [0,1,0,0,0,0|3,0,0]=4 1872 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [0,1,0,0,0,0|2,0,0]=3 1873 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [0,1,0,0,0,0|2,0,0]=3 1874 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [0,1,0,0,0,0|1,1,0]=3 1875 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [0,1,0,0,0,0|1,0,0]=2 1876 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [0,1,0,0,0,0|1,0,0]=2 1877 B9R0.18 CCNCC(=O)NCCF 2230a_100000725713_100000210202 [0,1,0,0,0,0|3,0,0]=4 1878 B9R0.18 CCNN=C(C)CCOC 4a_100000756455_100000742357 [0,1,0,0,0,0|2,1,0]=4 1879 B9R0.18 CCNN=C(C)CCSC 4a_100000756455_100011217047 [0,1,0,0,0,0|2,0,0]=3 1880 B9R0.18 CCNNC(=O)CCC#N 22a_100000756455_100011934036 [0,1,0,0,0,0|3,0,0]=4 1881 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [0,1,0,0,0,0|1,1,0]=3 1882 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [0,1,0,0,0,0|1,0,0]=2 1883 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [0,1,0,0,0,0|3,0,0]=4 1884 B9R0.18 CCNNC(=O)CSCC 22a_100000756455_100000230394 [0,1,0,0,0,0|3,0,0]=4 1885 B9R0.18 CCOCC(=O)CCC#N 1458a_100000211967_100011215226 [0,1,0,0,0,0|2,0,0]=3 1886 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [0,1,0,0,0,0|2,0,0]=3 1887 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [0,1,0,0,0,0|2,0,0]=3 1888 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [0,1,0,0,0,0|0,1,0]=2 1889 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [0,1,0,0,0,0|0,0,0]=1 1890 B9R0.18 CCOCC(=O)NCC#N 1626a_100000734998_100000211967 [0,1,0,0,0,0|3,0,0]=4 1891 B9R0.18 CCOCC(=O)NCC#N 527a_100000734998_100000211967 [0,1,0,0,0,0|3,0,0]=4 1892 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [0,1,0,0,0,0|3,0,0]=4 1893 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [0,1,0,0,0,0|3,0,0]=4 1894 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [0,1,0,0,0,0|3,0,0]=4 1895 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [0,1,0,0,0,0|3,0,0]=4 1896 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [0,1,0,0,0,0|3,0,0]=4 1897 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [0,1,0,0,0,0|3,0,0]=4 1898 B9R0.18 CCOCC(C)OCSC 34a_100000718985_100011218213 [0,1,0,0,0,0|2,0,1]=4 1899 B9R0.18 CCOCN(C)CCOC 269982a_100000743101_100000739092 [0,1,0,0,0,0|2,1,0]=4 1900 B9R0.18 CCOCN(C)CCSC 269982a_100000686725_100000739092 [0,1,0,0,0,0|2,0,0]=3 1901 B9R0.18 CCOC[C@@H](N)CCSC 34a_100011827619_100000210202 [0,1,0,0,0,0|1,0,1]=3 1902 B9R0.18 CCSCC(=O)CCC#N 1458a_100000230394_100011215226 [0,1,0,0,0,0|2,1,0]=4 1903 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [0,1,0,0,0,0|2,1,0]=4 1904 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [0,1,0,0,0,0|2,1,0]=4 1905 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [0,1,0,0,0,0|0,2,0]=3 1906 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [0,1,0,0,0,0|0,1,0]=2 1907 B9R0.18 CCSCC(=O)NCCF 11a_100000724931_100000230394 [0,1,0,0,0,0|3,0,0]=4 1908 B9R0.18 CCSCC(=O)NCCF 1626a_100000724931_100000230394 [0,1,0,0,0,0|3,0,0]=4 1909 B9R0.18 CCSCC(=O)NCCF 240690a_100000724931_100000230394 [0,1,0,0,0,0|3,0,0]=4 1910 B9R0.18 CCSCC(=O)NCCF 527a_100000724931_100000230394 [0,1,0,0,0,0|3,0,0]=4 1911 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [0,1,0,0,0,0|3,0,0]=4 1912 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [0,1,0,0,0,0|3,0,0]=4 1913 B9R0.18 COC=CC(=O)CCOC 1458a_100016268678_100000233755 [0,1,0,0,0,0|1,1,1]=4 1914 B9R0.18 COC=CC(=O)CCSC 1458a_100016268678_100000751147 [0,1,0,0,0,0|1,0,1]=3 1915 B9R0.18 COCCC(=O)C#CCO 1458a_100000049017_100000233755 [0,1,0,0,0,0|1,1,1]=4 1916 B9R0.18 COCCC(=O)CCC#N 1458a_100000749529_100011215226 [0,1,0,0,0,0|1,1,1]=4 1917 B9R0.18 COCCC(=O)CCC#N 1458a_100011934036_100000233755 [0,1,0,0,0,0|1,1,1]=4 1918 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [0,1,0,0,0,0|1,1,0]=3 1919 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [0,1,0,0,0,0|1,1,0]=3 1920 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [0,1,0,0,0,0|1,1,0]=3 1921 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [0,1,0,0,0,0|1,0,0]=2 1922 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [0,1,0,0,0,0|1,0,0]=2 1923 B9R0.18 COCCC(=O)NCC#N 1626a_100000734998_100000749529 [0,1,0,0,0,0|1,1,1]=4 1924 B9R0.18 COCCC(=O)NCC#N 527a_100000734998_100000749529 [0,1,0,0,0,0|1,1,1]=4 1925 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [0,1,0,0,0,0|1,1,0]=3 1926 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [0,1,0,0,0,0|1,1,0]=3 1927 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [0,1,0,0,0,0|1,1,0]=3 1928 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [0,1,0,0,0,0|1,1,0]=3 1929 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [0,1,0,0,0,0|1,1,0]=3 1930 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [0,1,0,0,0,0|1,1,0]=3 1931 B9R0.18 COCCN(C)CCSC 2230a_100000686725_100011201679 [0,1,0,0,0,0|3,0,0]=4 1932 B9R0.18 COCCN(C)CCSC 2230a_100000743101_100000751147 [0,1,0,0,0,0|3,0,0]=4 1933 B9R0.18 COCCN(C)CCSC 269982a_100000686725_100000233755 [0,1,0,0,0,0|3,0,0]=4 1934 B9R0.18 COCCN(C)CCSC 269982a_100000743101_100000212216 [0,1,0,0,0,0|3,0,0]=4 1935 B9R0.18 CSCCC(=O)C#CCO 1458a_100000049017_100000751147 [0,1,0,0,0,0|1,0,1]=3 1936 B9R0.18 CSCCC(=O)CCC#N 1458a_100000174002_100011215226 [0,1,0,0,0,0|1,0,1]=3 1937 B9R0.18 CSCCC(=O)CCC#N 1458a_100011934036_100000751147 [0,1,0,0,0,0|1,0,1]=3 1938 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [0,1,0,0,0,0|1,0,0]=2 1939 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [0,1,0,0,0,0|1,0,0]=2 1940 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [0,1,0,0,0,0|1,0,0]=2 1941 B9R0.18 CSCCC(=O)NCC#N 1626a_100000734998_100000174002 [0,1,0,0,0,0|1,0,1]=3 1942 B9R0.18 CSCCC(=O)NCC#N 527a_100000734998_100000174002 [0,1,0,0,0,0|1,0,1]=3 1943 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [0,1,0,0,0,0|1,0,0]=2 1944 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [0,1,0,0,0,0|1,0,0]=2 1945 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [0,1,0,0,0,0|1,0,0]=2 1946 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [0,1,0,0,0,0|1,0,0]=2 1947 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [0,1,0,0,0,0|1,0,0]=2 1948 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [0,1,0,0,0,0|1,0,0]=2 1949 B9R0.18 CSCCC(C)NCCO 270004a_100000210304_100011217047 [0,1,0,0,0,0|2,0,1]=4 1950 B9R0.18 CSCCN(C)CCCF 2230a_100000686725_100011934791 [0,1,0,0,0,0|3,0,0]=4 1951 B9R0.18 CSCCN(C)CCCF 269982a_100000686725_100011934791 [0,1,0,0,0,0|3,0,0]=4 1952 B9R0.18 CSCCN(C)CCCO 2230a_100000213112_100000751147 [0,1,0,0,0,0|3,0,0]=4 1953 B9R0.18 CSCCN(C)CCCO 2230a_100000686725_100000230001 [0,1,0,0,0,0|3,0,0]=4 1954 B9R0.18 CSCCN(C)CCCO 269982a_100000213112_100000212216 [0,1,0,0,0,0|3,0,0]=4 1955 B9R0.18 CSCCN(C)CCCO 269982a_100000686725_100011215043 [0,1,0,0,0,0|3,0,0]=4 1956 B9R0.18 CSCCN(C)CCSC 2230a_100000686725_100000751147 [0,1,0,0,0,0|3,0,0]=4 1957 B9R0.18 CSCCN(C)CCSC 269982a_100000686725_100000212216 [0,1,0,0,0,0|3,0,0]=4 1958 B9R0.18 CSCC[C@H](N)COCF 34a_100011827619_100015361967 [0,1,0,0,0,0|2,0,1]=4 1959 B9R0.18 N#CCCC(=O)CCCF 1458a_100011934036_100011934791 [0,1,0,0,0,0|3,0,0]=4 1960 B9R0.18 N#CCCC(=O)CCCO 1458a_100011934036_100011215043 [0,1,0,0,0,0|3,0,0]=4 1961 B9R0.18 N#CCCC(=O)NCCF 11a_100000724931_100011934036 [0,1,0,0,0,0|3,0,0]=4 1962 B9R0.18 N#CCCC(=O)NCCF 1626a_100000724931_100011934036 [0,1,0,0,0,0|3,0,0]=4 1963 B9R0.18 N#CCCC(=O)NCCF 240690a_100000724931_100011934036 [0,1,0,0,0,0|3,0,0]=4 1964 B9R0.18 N#CCCC(=O)NCCF 527a_100000724931_100011934036 [0,1,0,0,0,0|3,0,0]=4 1965 B9R0.18 N#CCCC(=O)NCCO 240690a_100000210304_100011934036 [0,1,0,0,0,0|3,0,0]=4 1966 B9R0.18 N#CCCC(=O)NCCO 527a_100000210304_100011934036 [0,1,0,0,0,0|3,0,0]=4 1967 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [0,1,0,0,0,0|1,0,2]=4 1968 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [0,1,0,0,0,0|1,0,2]=4 1969 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,1,0,0,0,0|2,0,1]=4 1970 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [0,1,0,0,0,0|2,0,1]=4 1971 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [0,1,0,0,0,0|2,0,1]=4 1972 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [0,1,0,0,0,0|2,0,1]=4 1973 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [0,1,0,0,0,0|2,0,1]=4 1974 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [0,1,0,0,0,0|2,0,1]=4 1975 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [0,1,0,0,0,0|2,0,1]=4 1976 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,1,0,0,0,0|2,0,1]=4 1977 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,1,0,0,0,0|2,0,1]=4 1978 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,1,0,0,0,0|2,0,1]=4 1979 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [0,1,0,0,0,0|3,0,0]=4 1980 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,1,0,0,0,0|3,0,0]=4 1981 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,1,0,0,0,0|3,0,0]=4 1982 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,1,0,0,0,0|3,0,0]=4 1983 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [0,1,0,0,0,0|3,0,0]=4 1984 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [0,1,0,0,0,0|3,0,0]=4 1985 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [0,1,0,0,0,0|3,0,0]=4 1986 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,1,0,0,0,0|3,0,0]=4 1987 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,1,0,0,0,0|3,0,0]=4 1988 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [0,1,0,0,0,0|3,0,0]=4 1989 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [0,1,0,0,0,0|3,0,0]=4 1990 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [0,1,0,0,0,0|3,0,0]=4 1991 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,0,0,0,0|2,0,1]=4 1992 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,0,0,0,0|2,0,1]=4 1993 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,1,0,0,0,0|2,0,1]=4 1994 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,1,0,0,0,0|1,1,1]=4 1995 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,1,0,0,0,0|1,1,1]=4 1996 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,1,0,0,0,0|2,0,0]=3 1997 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,1,0,0,0,0|2,0,0]=3 1998 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,1,0,0,0,0|2,0,0]=3 1999 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,1,0,0,0,0|2,0,0]=3 2000 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,1,0,0,0,0|3,0,0]=4 2001 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,1,0,0,0,0|3,0,0]=4 2002 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,1,0,0,0,0|3,0,0]=4 2003 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,1,0,0,0,0|2,0,0]=3 2004 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,1,0,0,0,0|3,0,0]=4 2005 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,1,0,0,0,0|3,0,0]=4 2006 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,1,0,0,0,0|3,0,0]=4 2007 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,1,0,0,0,0|3,0,0]=4 2008 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,1,0,0,0,0|3,0,0]=4 2009 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,1,0,0,0,0|2,0,1]=4 2010 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,1,0,0,0,0|1,1,1]=4 2011 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,1,0,0,0,0|2,0,0]=3 2012 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,1,0,0,0,0|2,0,0]=3 2013 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,1,0,0,0,0|2,0,0]=3 2014 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,1,0,0,0,0|2,0,0]=3 2015 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [0,1,0,0,0,0|3,0,0]=4 2016 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [0,1,0,0,0,0|3,0,0]=4 2017 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [0,1,0,0,0,0|3,0,0]=4 2018 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [0,1,0,0,0,0|3,0,0]=4 2019 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [0,1,0,0,0,0|3,0,0]=4 2020 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [0,1,0,0,0,0|3,0,0]=4 2021 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [0,1,0,0,0,0|3,0,0]=4 2022 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [0,1,0,0,0,0|3,0,0]=4 2023 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [0,1,0,0,0,0|3,0,0]=4 2024 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [0,1,0,0,0,0|3,0,0]=4 2025 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [0,1,0,0,0,0|3,0,0]=4 2026 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [0,1,0,0,0,0|3,0,0]=4 2027 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,1,0,0,0,0|1,0,1]=3 2028 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,1,0,0,0,0|1,0,1]=3 2029 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,1,0,0,0,0|2,0,1]=4 2030 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,1,0,0,0,0|2,0,1]=4 2031 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,1,0,0,0,0|1,0,1]=3 2032 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,1,0,0,0,0|1,0,0]=2 2033 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,1,0,0,0,0|1,0,0]=2 2034 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,1,0,0,0,0|0,0,0]=1 2035 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,1,0,0,0,0|0,0,0]=1 2036 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,1,0,0,0,0|0,0,0]=1 2037 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,1,0,0,0,0|0,0,0]=1 2038 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,1,0,0,0,0|2,0,0]=3 2039 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,1,0,0,0,0|2,0,0]=3 2040 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,1,0,0,0,0|2,0,0]=3 2041 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,1,0,0,0,0|2,0,0]=3 2042 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,1,0,0,0,0|2,0,0]=3 2043 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,1,0,0,0,0|2,0,0]=3 2044 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,1,0,0,0,0|2,0,0]=3 2045 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,1,0,0,0,0|0,1,0]=2 2046 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,1,0,0,0,0|0,1,0]=2 2047 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,1,0,0,0,0|1,0,0]=2 2048 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,1,0,0,0,0|1,0,0]=2 2049 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,1,0,0,0,0|1,0,0]=2 2050 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,1,0,0,0,0|1,0,0]=2 2051 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,1,0,0,0,0|3,0,0]=4 2052 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,1,0,0,0,0|3,0,0]=4 2053 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [0,1,0,0,0,0|3,0,0]=4 2054 B9R0.35 C#CCC(=O)C(C)CSC 1458a_100000753918_100000184674 [0,1,0,0,0,0|1,0,2]=4 2055 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,1,0,0,0,0|1,0,1]=3 2056 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,1,0,0,0,0|1,0,1]=3 2057 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,1,0,0,0,0|0,1,1]=3 2058 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,1,0,0,0,0|0,0,1]=2 2059 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,1,0,0,0,0|0,0,1]=2 2060 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,1,0,0,0,0|0,0,1]=2 2061 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,1,0,0,0,0|0,0,1]=2 2062 B9R0.35 C=CCC(=O)C(C)CSC 1458a_100000753918_100000210623 [0,1,0,0,0,0|1,0,2]=4 2063 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [0,1,0,0,0,0|2,0,1]=4 2064 B9R0.35 C=CCC(C)C(=O)NCC 11a_100015525214_100011216819 [0,1,0,0,0,0|2,0,1]=4 2065 B9R0.35 C=CCC(C)C(=O)NCC 240690a_100015525214_100011216819 [0,1,0,0,0,0|2,0,1]=4 2066 B9R0.35 C=CCC(C)C(=O)NCC 527a_100015525214_100011216819 [0,1,0,0,0,0|2,0,1]=4 2067 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [0,1,0,0,0,0|2,0,1]=4 2068 B9R0.35 CC#CC(=O)C(C)COC 1458a_100000763181_100000765312 [0,1,0,0,0,0|1,1,1]=4 2069 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,1,0,0,0,0|2,0,1]=4 2070 B9R0.35 CC=CC(=O)C(C)COC 1458a_100000210699_100000765312 [0,1,0,0,0,0|1,1,1]=4 2071 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,1,0,0,0,0|2,0,1]=4 2072 B9R0.35 CCCC(=O)C(C)CC#N 1458a_100000211992_100009813641 [0,1,0,0,0,0|3,0,0]=4 2073 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,1,0,0,0,0|2,0,0]=3 2074 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,1,0,0,0,0|2,0,0]=3 2075 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,1,0,0,0,0|3,0,0]=4 2076 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,1,0,0,0,0|1,1,0]=3 2077 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,1,0,0,0,0|1,1,0]=3 2078 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,1,0,0,0,0|1,0,0]=2 2079 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,1,0,0,0,0|3,0,0]=4 2080 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,1,0,0,0,0|3,0,0]=4 2081 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,1,0,0,0,0|3,0,0]=4 2082 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,1,0,0,0,0|3,0,0]=4 2083 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,1,0,0,0,0|3,0,0]=4 2084 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,1,0,0,0,0|3,0,0]=4 2085 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,1,0,0,0,0|2,0,0]=3 2086 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,1,0,0,0,0|3,0,0]=4 2087 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,1,0,0,0,0|3,0,0]=4 2088 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,1,0,0,0,0|3,0,0]=4 2089 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,1,0,0,0,0|3,0,0]=4 2090 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,1,0,0,0,0|3,0,0]=4 2091 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,1,0,0,0,0|2,0,0]=3 2092 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,1,0,0,0,0|2,0,0]=3 2093 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,1,0,0,0,0|2,0,0]=3 2094 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [0,1,0,0,0,0|3,0,0]=4 2095 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [0,1,0,0,0,0|2,0,1]=4 2096 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [0,1,0,0,0,0|2,0,1]=4 2097 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,1,0,0,0,0|3,0,0]=4 2098 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,1,0,0,0,0|3,0,0]=4 2099 B9R0.35 CCCN(C)C(C)CSC 270004a_100000747261_100011216314 [0,1,0,0,0,0|3,0,0]=4 2100 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,1,0,0,0,0|3,0,0]=4 2101 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,1,0,0,0,0|3,0,0]=4 2102 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,1,0,0,0,0|2,0,0]=3 2103 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [0,1,0,0,0,0|3,0,0]=4 2104 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,1,0,0,0,0|2,0,1]=4 2105 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,1,0,0,0,0|2,0,1]=4 2106 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,1,0,0,0,0|1,1,0]=3 2107 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,1,0,0,0,0|1,1,0]=3 2108 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,1,0,0,0,0|1,1,0]=3 2109 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,1,0,0,0,0|1,0,0]=2 2110 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,1,0,0,0,0|1,0,0]=2 2111 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,1,0,0,0,0|1,0,0]=2 2112 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [0,1,0,0,0,0|3,0,0]=4 2113 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [0,1,0,0,0,0|3,0,0]=4 2114 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [0,1,0,0,0,0|3,0,0]=4 2115 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,1,0,0,0,0|3,0,0]=4 2116 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,1,0,0,0,0|3,0,0]=4 2117 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,1,0,0,0,0|3,0,0]=4 2118 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,1,0,0,0,0|3,0,0]=4 2119 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,1,0,0,0,0|3,0,0]=4 2120 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,1,0,0,0,0|3,0,0]=4 2121 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,1,0,0,0,0|3,0,0]=4 2122 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,1,0,0,0,0|3,0,0]=4 2123 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,1,0,0,0,0|3,0,0]=4 2124 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,1,0,0,0,0|2,0,0]=3 2125 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,1,0,0,0,0|2,0,0]=3 2126 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [0,1,0,0,0,0|2,1,0]=4 2127 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,1,0,0,0,0|0,0,1]=2 2128 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,1,0,0,0,0|0,0,1]=2 2129 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,1,0,0,0,0|0,0,1]=2 2130 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,1,0,0,0,0|0,0,1]=2 2131 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,1,0,0,0,0|2,0,0]=3 2132 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,1,0,0,0,0|2,0,0]=3 2133 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,1,0,0,0,0|2,0,0]=3 2134 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [0,1,0,0,0,0|3,0,0]=4 2135 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [0,1,0,0,0,0|3,0,0]=4 2136 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,1,0,0,0,0|2,0,0]=3 2137 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,1,0,0,0,0|2,0,0]=3 2138 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,1,0,0,0,0|2,0,0]=3 2139 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [0,1,0,0,0,0|3,0,0]=4 2140 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [0,1,0,0,0,0|3,0,0]=4 2141 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,1,0,0,0,0|2,0,0]=3 2142 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,1,0,0,0,0|3,0,0]=4 2143 B9R0.35 CNNC(=O)C(C)COC 22a_100016993582_100000751857 [0,1,0,0,0,0|2,1,0]=4 2144 B9R0.35 CNNC(=O)C(C)CSC 22a_100016993582_100000753918 [0,1,0,0,0,0|2,0,0]=3 2145 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [0,1,0,0,0,0|2,1,0]=4 2146 B9R0.35 COCC(C)C(=O)CCF 1458a_100000751857_100011217306 [0,1,0,0,0,0|2,1,0]=4 2147 B9R0.35 COCC(C)C(=O)CCO 1458a_100000751857_100000211926 [0,1,0,0,0,0|2,1,0]=4 2148 B9R0.35 COCC(C)C(=O)CCO 1458a_100011216618_100000765312 [0,1,0,0,0,0|2,1,0]=4 2149 B9R0.35 COCC(C)C(=O)CSC 1458a_100000184570_100000765312 [0,1,0,0,0,0|2,1,0]=4 2150 B9R0.35 CSCC(C)C(=O)CC#N 1458a_100000753918_100011214920 [0,1,0,0,0,0|2,0,1]=4 2151 B9R0.35 CSCC(C)C(=O)CCF 1458a_100000753918_100011217306 [0,1,0,0,0,0|2,0,0]=3 2152 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [0,1,0,0,0,0|2,0,0]=3 2153 B9R0.40 C#CC(CCCC)OCC 34a_200011217967_100000210202 [0,1,0,0,0,0|2,0,1]=4 2154 B9R0.40 C#CC(CCCC)OCC 7a_200011217967_100000210202 [0,1,0,0,0,0|2,0,1]=4 2155 B9R0.40 C=CC(CCCC)OCC 34a_200011215037_100000210202 [0,1,0,0,0,0|2,0,1]=4 2156 B9R0.40 C=CC(CCCC)OCC 7a_200011215037_100000210202 [0,1,0,0,0,0|2,0,1]=4 2157 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [0,1,0,0,0,0|2,0,1]=4 2158 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [0,1,0,0,0,0|2,0,1]=4 2159 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [0,1,0,0,0,0|2,0,1]=4 2160 B9R0.40 CCCN(CC)CCSC 2230a_100000226822_100000751147 [0,1,0,0,0,0|3,0,0]=4 2161 B9R0.40 CCCN(CC)CCSC 269982a_100000226822_100000212216 [0,1,0,0,0,0|3,0,0]=4 2162 B9R0.40 CCN[C@H](CO)CCSC 2230a_100011827619_100000210202 [0,1,0,0,0,0|1,0,2]=4 2163 B9R0.48 C=C(C)CCC(=O)C#CC 1458a_100000763181_100000730704 [0,1,0,0,0,0|2,0,1]=4 2164 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [0,1,0,0,0,0|2,0,1]=4 2165 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,1,0,0,0,0|2,0,0]=3 2166 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,1,0,0,0,0|2,0,0]=3 2167 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,1,0,0,0,0|3,0,0]=4 2168 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,1,0,0,0,0|3,0,0]=4 2169 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,1,0,0,0,0|3,0,0]=4 2170 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,1,0,0,0,0|3,0,0]=4 2171 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,1,0,0,0,0|3,0,0]=4 2172 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,1,0,0,0,0|2,0,0]=3 2173 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,1,0,0,0,0|2,0,0]=3 2174 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,1,0,0,0,0|2,0,0]=3 2175 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [0,1,0,0,0,0|3,0,0]=4 2176 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,1,0,0,0,0|3,0,0]=4 2177 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,1,0,0,0,0|3,0,0]=4 2178 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,1,0,0,0,0|3,0,0]=4 2179 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,1,0,0,0,0|3,0,0]=4 2180 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,1,0,0,0,0|3,0,0]=4 2181 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,1,0,0,0,0|3,0,0]=4 2182 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,1,0,0,0,0|3,0,0]=4 2183 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,1,0,0,0,0|3,0,0]=4 2184 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,1,0,0,0,0|3,0,0]=4 2185 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,1,0,0,0,0|3,0,0]=4 2186 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [0,1,0,0,0,0|2,0,1]=4 2187 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,1,0,0,0,0|2,0,1]=4 2188 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,1,0,0,0,0|3,0,0]=4 2189 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,1,0,0,0,0|3,0,0]=4 2190 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,1,0,0,0,0|3,0,0]=4 2191 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,1,0,0,0,0|3,0,0]=4 2192 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,1,0,0,0,0|2,0,1]=4 2193 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,1,0,0,0,0|2,0,1]=4 2194 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,1,0,0,0,0|2,0,1]=4 2195 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,1,0,0,0,0|2,0,1]=4 2196 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,1,0,0,0,0|3,0,0]=4 2197 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,1,0,0,0,0|2,0,0]=3 2198 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,1,0,0,0,0|2,0,0]=3 2199 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,1,0,0,0,0|2,0,0]=3 2200 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,1,0,0,0,0|3,0,0]=4 2201 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,1,0,0,0,0|1,0,1]=3 2202 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,1,0,0,0,0|3,0,0]=4 2203 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,1,0,0,0,0|3,0,0]=4 2204 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,1,0,0,0,0|3,0,0]=4 2205 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,1,0,0,0,0|3,0,0]=4 2206 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,1,0,0,0,0|3,0,0]=4 2207 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,1,0,0,0,0|3,0,0]=4 2208 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,1,0,0,0,0|3,0,0]=4 2209 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,1,0,0,0,0|3,0,0]=4 2210 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,1,0,0,0,0|3,0,0]=4 2211 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,1,0,0,0,0|3,0,0]=4 2212 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,1,0,0,0,0|3,0,0]=4 2213 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,1,0,0,0,0|3,0,0]=4 2214 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,1,0,0,0,0|3,0,0]=4 2215 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,1,0,0,0,0|3,0,0]=4 2216 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,1,0,0,0,0|3,0,0]=4 2217 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,1,0,0,0,0|3,0,0]=4 2218 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [0,1,0,0,0,0|3,0,0]=4 2219 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [0,1,0,0,0,0|3,0,0]=4 2220 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,1,0,0,0,0|2,0,1]=4 2221 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,1,0,0,0,0|2,0,1]=4 2222 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,1,0,0,0,0|2,0,1]=4 2223 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,1,0,0,0,0|2,0,0]=3 2224 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,1,0,0,0,0|3,0,0]=4 2225 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,1,0,0,0,0|3,0,0]=4 2226 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,1,0,0,0,0|2,0,0]=3 2227 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,1,0,0,0,0|2,0,0]=3 2228 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,1,0,0,0,0|2,0,0]=3 2229 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,1,0,0,0,0|2,0,0]=3 2230 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,1,0,0,0,0|2,0,0]=3 2231 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,1,0,0,0,0|2,0,0]=3 2232 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,1,0,0,0,0|2,0,0]=3 2233 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,1,0,0,0,0|2,0,0]=3 2234 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,1,0,0,0,0|2,0,0]=3 2235 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 11a_100015525214_200000064761 [0,1,0,0,0,0|3,0,0]=4 2236 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 240690a_100015525214_200000064761 [0,1,0,0,0,0|3,0,0]=4 2237 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,1,0,0,0,0|1,0,1]=3 2238 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,1,0,0,0,0|1,0,1]=3 2239 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,1,0,0,0,0|3,0,0]=4 2240 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,1,0,0,0,0|3,0,0]=4 2241 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,1,0,0,0,0|3,0,0]=4 2242 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,1,0,0,0,0|3,0,0]=4 2243 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,1,0,0,0,0|3,0,0]=4 2244 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,1,0,0,0,0|3,0,0]=4 2245 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,1,0,0,0,0|3,0,0]=4 2246 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,1,0,0,0,0|3,0,0]=4 2247 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,1,0,0,0,0|3,0,0]=4 2248 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,1,0,0,0,0|3,0,0]=4 2249 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,1,0,0,0,0|3,0,0]=4 2250 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,1,0,0,0,0|3,0,0]=4 2251 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,1,0,0,0,0|3,0,0]=4 2252 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,1,0,0,0,0|3,0,0]=4 2253 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,1,0,0,0,0|3,0,0]=4 2254 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,1,0,0,0,0|3,0,0]=4 2255 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,1,0,0,0,0|3,0,0]=4 2256 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,1,0,0,0,0|3,0,0]=4 2257 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,1,0,0,0,0|3,0,0]=4 2258 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,1,0,0,0,0|3,0,0]=4 2259 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,1,0,0,0,0|3,0,0]=4 2260 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,1,0,0,0,0|3,0,0]=4 2261 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,1,0,0,0,0|3,0,0]=4 2262 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,1,0,0,0,0|3,0,0]=4 2263 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,1,0,0,0,0|3,0,0]=4 2264 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,1,0,0,0,0|3,0,0]=4 2265 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,1,0,0,0,0|3,0,0]=4 2266 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,1,0,0,0,0|3,0,0]=4 2267 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,1,0,0,0,0|3,0,0]=4 2268 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,1,0,0,0,0|3,0,0]=4 2269 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,1,0,0,0,0|3,0,0]=4 2270 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,1,0,0,0,0|3,0,0]=4 2271 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,1,0,0,0,0|3,0,0]=4 2272 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,1,0,0,0,0|3,0,0]=4 2273 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,1,0,0,0,0|1,0,2]=4 2274 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,1,0,0,0,0|1,0,2]=4 2275 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,1,0,0,0,0|1,0,0]=2 2276 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,1,0,0,0,0|1,0,0]=2 2277 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,1,0,0,0,0|1,0,0]=2 2278 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,1,0,0,0,0|1,0,0]=2 2279 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,1,0,0,0,0|1,0,0]=2 2280 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,1,0,0,0,0|1,0,0]=2 2281 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,1,0,0,0,0|1,0,0]=2 2282 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,1,0,0,0,0|1,0,0]=2 2283 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,1,0,0,0,0|2,0,0]=3 2284 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,1,0,0,0,0|2,0,0]=3 2285 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,1,0,0,0,0|2,0,0]=3 2286 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,1,0,0,0,0|2,0,0]=3 2287 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,1,0,0,0,0|2,0,0]=3 2288 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,1,0,0,0,0|2,0,0]=3 2289 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,1,0,0,0,0|2,0,0]=3 2290 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,1,0,0,0,0|2,0,0]=3 2291 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,1,0,0,0,0|2,0,1]=4 2292 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,1,0,0,0,0|2,0,1]=4 2293 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,1,0,0,0,0|2,0,1]=4 2294 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [0,1,0,0,0,0|3,0,0]=4 2295 B9R0.48 CNNC(=O)CCN(C)C 22a_100016993582_100000689311 [0,1,0,0,0,0|3,0,0]=4 2296 B9R0.48 CNNC(=O)CC[S+](C)C 22a_100016993582_100009452791 [0,1,0,0,0,0|2,0,1]=4 2297 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,1,0,0,0,0|3,0,0]=4 2298 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,1,0,0,0,0|3,0,0]=4 2299 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,1,0,0,0,0|3,0,0]=4 2300 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,1,0,0,0,0|3,0,0]=4 2301 B9R0.48 C[S+](C)CCC(=O)CCF 1458a_100009452791_100011217306 [0,1,0,0,0,0|2,0,1]=4 2302 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,1,0,0,0,0|2,0,1]=4 2303 B9R0.66 CCCCC(C)(C)OCC 7a_100011219641_100000210202 [0,1,0,0,0,0|2,0,1]=4 2304 B9R0.66 CCCCS(=O)(=O)NCC 270084a_100015525214_100000212082 [0,1,0,0,0,0|3,0,0]=4 2305 B9R0.66 CCCCS(=O)(=O)NCC 274078a_100015525214_100000212082 [0,1,0,0,0,0|3,0,0]=4 2306 B9R0.66 CCCCS(=O)(=O)NCC 40a_100015525214_100000054263 [0,1,0,0,0,0|3,0,0]=4 2307 B9R0.66 CCNS(=O)(=O)CCOC 270084a_100015525214_100000745348 [0,1,0,0,0,0|2,1,0]=4 2308 B9R0.66 CCNS(=O)(=O)CCOC 274078a_100015525214_100000745348 [0,1,0,0,0,0|2,1,0]=4 2309 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,0,0,1,0,0|1,1,1]=4 2310 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,0,0,1,0,0|1,1,1]=4 2311 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,0,0,1,0,0|3,0,0]=4 2312 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,0,0,1,0,0|2,0,0]=3 2313 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,0,0,1,0,0|2,0,0]=3 2314 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,0,0,1,0,0|2,0,0]=3 2315 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [0,0,0,1,0,0|2,0,1]=4 2316 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,0,0,1,0,0|1,1,0]=3 2317 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,0,0,1,0,0|1,1,1]=4 2318 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,0,0,1,0,0|1,1,1]=4 2319 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,0,0,1,0,0|1,1,0]=3 2320 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,0,0,1,0,0|2,0,0]=3 2321 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,0,0,1,0,0|2,0,0]=3 2322 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,0,0,1,0,0|1,1,0]=3 2323 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,0,0,1,0,0|1,1,0]=3 2324 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,0,0,1,0,0|2,0,1]=4 2325 B9R1.7 CCO[C@H]1CCN(C1)C 2230a_100011787710_200000210301 [0,0,0,1,0,0|2,0,1]=4 2326 B9R1.7 CCO[C@H]1CCN(C1)C 269982a_100011787710_200000210301 [0,0,0,1,0,0|2,0,1]=4 2327 B9R1.7 CCO[C@H]1CCN(C1)C 34a_100011787710_200000210301 [0,0,0,1,0,0|2,0,1]=4 2328 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 2230a_100011787710_200025704644 [0,0,0,1,0,0|2,0,1]=4 2329 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 269982a_100011787710_200025704644 [0,0,0,1,0,0|2,0,1]=4 2330 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 34a_100011787710_200025704644 [0,0,0,1,0,0|2,0,1]=4 2331 B9R1.8 CCCN1CCSCC1 2230a_100000737611_100000210303 [0,0,0,1,0,0|3,0,0]=4 2332 B9R1.8 CCCN1CCSCC1 269982a_100000737611_100000210303 [0,0,0,1,0,0|3,0,0]=4 2333 B9R1.8 CCNC1CCSCC1 2230a_100000748639_100000210202 [0,0,0,1,0,0|2,0,1]=4 2334 B9R1.8 CCNC1CCSCC1 270004a_100015525214_100000203788 [0,0,0,1,0,0|2,0,1]=4 2335 B9R1.8 CCNC1CCSCC1 34a_100000748639_100000210202 [0,0,0,1,0,0|2,0,1]=4 2336 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,0,0,1,0,0|2,0,1]=4 2337 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,0,0,1,0,0|2,0,1]=4 2338 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,0,0,1,0,0|2,0,1]=4 2339 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,0,0,1,0,0|1,0,2]=4 2340 B9R1.8 CCOC1CCOCC1 34a_100000744328_100000210202 [0,0,0,1,0,0|1,1,1]=4 2341 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [0,0,0,1,0,0|1,0,1]=3 2342 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [0,0,0,1,0,0|1,0,1]=3 2343 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [0,0,0,1,0,0|1,0,1]=3 2344 B9R1.8 CCSC1CCSCC1 62a_100000210202_100000069128 [0,0,0,1,0,0|1,1,1]=4 2345 B9R1.8 FCOC1CCSCC1 34a_100000731022_100015361967 [0,0,0,1,0,0|2,0,1]=4 2346 B9R1.8 FCOC1CCSCC1 7a_100000731022_100015361967 [0,0,0,1,0,0|2,0,1]=4 2347 B9R1.9 CSCCN1CC(C1)C 2230a_100000702820_100000751147 [0,0,0,1,0,0|3,0,0]=4 2348 B9R1.9 CSCCN1CC(C1)C 269982a_100000702820_100000212216 [0,0,0,1,0,0|3,0,0]=4 2349 B9R1.9 CSCCN1CC(C1)C 34a_100000702820_100000212216 [0,0,0,1,0,0|3,0,0]=4 2350 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [0,0,0,1,0,0|1,0,2]=4 2351 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [0,0,0,1,0,0|1,0,2]=4 2352 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [0,0,0,1,0,0|1,0,2]=4 2353 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [0,0,0,1,0,0|1,0,2]=4 2354 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [0,0,0,1,0,0|1,0,2]=4 2355 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [0,0,0,1,0,0|0,1,2]=4 2356 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [0,0,0,1,0,0|2,0,1]=4 2357 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [0,0,0,1,0,0|2,0,1]=4 2358 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [0,0,0,1,0,0|0,0,2]=3 2359 B9R1.12 CSCCN1CCCC1 2230a_100000188435_100000751147 [0,0,0,1,0,0|3,0,0]=4 2360 B9R1.12 CSCCN1CCCC1 269982a_100000188435_100000212216 [0,0,0,1,0,0|3,0,0]=4 2361 B9R1.12 CSCCN1CCCC1 62a_100000700749_200000210301 [0,0,0,1,0,0|3,0,0]=4 2362 B9R1.12 CSCCN1CCCC1 62a_200000210301_100000004467 [0,0,0,1,0,0|3,0,0]=4 2363 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [0,0,0,1,0,0|2,0,1]=4 2364 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [0,0,0,1,0,0|1,0,2]=4 2365 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [0,0,0,1,0,0|1,0,2]=4 2366 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [0,0,0,1,0,0|2,0,1]=4 2367 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [0,0,0,1,0,0|2,0,1]=4 2368 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [0,0,0,1,0,0|0,0,2]=3 2369 B9R1.12 [13CH3]SCCN1CCCC1 62a_100000700749_200025704644 [0,0,0,1,0,0|3,0,0]=4 2370 B9R1.12 [13CH3]SCCN1CCCC1 62a_200025704644_100000004467 [0,0,0,1,0,0|3,0,0]=4 2371 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,0,0,1,0,0|3,0,0]=4 2372 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,0,0,1,0,0|3,0,0]=4 2373 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,0,0,1,0,0|2,1,0]=4 2374 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,0,0,1,0,0|2,1,0]=4 2375 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,0,0,1,0,0|3,0,0]=4 2376 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,0,0,1,0,0|3,0,0]=4 2377 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,0,0,1,0,0|2,1,0]=4 2378 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,0,0,1,0,0|3,0,0]=4 2379 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,0,0,1,0,0|3,0,0]=4 2380 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,0,0,1,0,0|2,1,0]=4 2381 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,0,0,1,0,0|2,1,0]=4 2382 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,0,0,1,0,0|3,0,0]=4 2383 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,0,0,1,0,0|3,0,0]=4 2384 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,0,0,1,0,0|3,0,0]=4 2385 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,0,0,1,0,0|2,1,0]=4 2386 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,0,0,1,0,0|2,1,0]=4 2387 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,0,0,1,0,0|3,0,0]=4 2388 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [0,0,0,1,0,0|3,0,0]=4 2389 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [0,0,0,1,0,0|3,0,0]=4 2390 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,0,0,1,0,0|2,0,0]=3 2391 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,0,0,1,0,0|3,0,0]=4 2392 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,0,0,1,0,0|3,0,0]=4 2393 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,0,0,1,0,0|2,0,0]=3 2394 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,0,0,1,0,0|3,0,0]=4 2395 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,0,0,1,0,0|3,0,0]=4 2396 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,0,0,1,0,0|3,0,0]=4 2397 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,0,0,1,0,0|2,0,0]=3 2398 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,0,0,1,0,0|2,0,0]=3 2399 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,0,0,1,0,0|1,1,0]=3 2400 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [0,0,0,1,0,0|2,0,0]=3 2401 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [0,0,0,1,0,0|2,0,0]=3 2402 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [0,0,0,1,0,0|3,0,0]=4 2403 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [0,0,0,1,0,0|3,0,0]=4 2404 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,0,0,1,0,0|1,1,0]=3 2405 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [0,0,0,1,0,0|2,0,0]=3 2406 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [0,0,0,1,0,0|2,0,0]=3 2407 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,1,0,0|2,0,0]=3 2408 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,1,0,0|2,0,0]=3 2409 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,1,0,0|2,0,0]=3 2410 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,1,0,0|2,0,0]=3 2411 B9R1.58 CCCN1CC(C1)SC 269982a_100016990038_100000210303 [0,0,0,1,0,0|3,0,0]=4 2412 B9R1.73 CC#CC(=O)C1CCC1 1458a_100000763181_100000749161 [0,0,0,1,0,0|2,0,1]=4 2413 B9R1.73 CC#CC(=O)C1COC1 1458a_100000763181_100000687716 [0,0,0,1,0,0|1,1,1]=4 2414 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [0,0,0,1,0,0|2,0,1]=4 2415 B9R1.73 CC=CC(=O)C1COC1 1458a_100000210699_100000687716 [0,0,0,1,0,0|1,1,1]=4 2416 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,0,0,1,0,0|2,0,0]=3 2417 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,0,0,1,0,0|2,0,0]=3 2418 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,0,0,1,0,0|3,0,0]=4 2419 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [0,0,0,1,0,0|1,1,0]=3 2420 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [0,0,0,1,0,0|1,1,0]=3 2421 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [0,0,0,1,0,0|3,0,0]=4 2422 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [0,0,0,1,0,0|3,0,0]=4 2423 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [0,0,0,1,0,0|3,0,0]=4 2424 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [0,0,0,1,0,0|2,0,0]=3 2425 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [0,0,0,1,0,0|2,0,0]=3 2426 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [0,0,0,1,0,0|2,0,0]=3 2427 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,0,0,1,0,0|3,0,0]=4 2428 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,0,0,1,0,0|3,0,0]=4 2429 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,0,0,1,0,0|3,0,0]=4 2430 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [0,0,0,1,0,0|1,1,0]=3 2431 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [0,0,0,1,0,0|1,1,0]=3 2432 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [0,0,0,1,0,0|1,1,0]=3 2433 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [0,0,0,1,0,0|3,0,0]=4 2434 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [0,0,0,1,0,0|3,0,0]=4 2435 B9R1.73 CCOC(C)C1CCC1 34a_100000766398_100000210202 [0,0,0,1,0,0|2,0,1]=4 2436 B9R1.73 CCOC(C)C1CCC1 7a_100000766398_100000210202 [0,0,0,1,0,0|2,0,1]=4 2437 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [0,0,0,1,0,0|3,0,0]=4 2438 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [0,0,0,1,0,0|3,0,0]=4 2439 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [0,0,0,1,0,0|3,0,0]=4 2440 B9R1.73 CNNC(=O)C1CCC1 22a_100016993582_100000209988 [0,0,0,1,0,0|3,0,0]=4 2441 B9R1.73 CNNC(=O)C1COC1 22a_100016993582_100000758290 [0,0,0,1,0,0|2,1,0]=4 2442 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [0,0,0,1,0,0|3,0,0]=4 2443 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [0,0,0,1,0,0|3,0,0]=4 2444 B9R1.73 COCC(=O)C1COC1 1458a_100000210968_100000687716 [0,0,0,1,0,0|2,1,0]=4 2445 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [0,0,0,1,0,0|3,0,0]=4 2446 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [0,0,0,1,0,0|3,0,0]=4 2447 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [0,0,0,1,0,0|3,0,0]=4 2448 B9R1.73 CSCC(=O)C1COC1 1458a_100000184570_100000687716 [0,0,0,1,0,0|2,1,0]=4 2449 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [0,0,0,1,0,0|3,0,0]=4 2450 B9R1.73 O=C(CCF)C1COC1 1458a_100000758290_100011217306 [0,0,0,1,0,0|2,1,0]=4 2451 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [0,0,0,1,0,0|3,0,0]=4 2452 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [0,0,0,1,0,0|3,0,0]=4 2453 B9R1.73 O=C(CCO)C1COC1 1458a_100000758290_100000211926 [0,0,0,1,0,0|2,1,0]=4 2454 B9R1.73 O=C(CCO)C1COC1 1458a_100011216618_100000687716 [0,0,0,1,0,0|2,1,0]=4 2455 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [0,0,0,1,0,0|3,0,0]=4 2456 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [0,0,0,1,0,0|3,0,0]=4 2457 B9R1.75 C#CCC(=O)CC1CS1 1458a_100011220946_100000031435 [0,0,0,1,0,0|1,0,2]=4 2458 B9R1.75 C=CCC(=O)CC1CS1 1458a_100000210193_100000031435 [0,0,0,1,0,0|1,0,2]=4 2459 B9R1.75 CC#CC(=O)CC1CC1 1458a_100000763181_100000742324 [0,0,0,1,0,0|2,0,1]=4 2460 B9R1.75 CC#CC(=O)CC1CO1 1458a_100000763181_100011216344 [0,0,0,1,0,0|1,1,1]=4 2461 B9R1.75 CC#CC(=O)CC1CS1 1458a_100000763181_100000031435 [0,0,0,1,0,0|1,0,1]=3 2462 B9R1.75 CC#CC(=O)C[C@@H]1CO1 1458a_100000763181_100000745022 [0,0,0,1,0,0|1,1,1]=4 2463 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [0,0,0,1,0,0|2,0,1]=4 2464 B9R1.75 CC=CC(=O)CC1CO1 1458a_100000210699_100011216344 [0,0,0,1,0,0|1,1,1]=4 2465 B9R1.75 CC=CC(=O)CC1CS1 1458a_100000210699_100000031435 [0,0,0,1,0,0|1,0,1]=3 2466 B9R1.75 CC=CC(=O)C[C@@H]1CO1 1458a_100000210699_100000745022 [0,0,0,1,0,0|1,1,1]=4 2467 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,0,0,1,0,0|2,0,0]=3 2468 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,0,0,1,0,0|2,0,0]=3 2469 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,0,0,1,0,0|1,1,0]=3 2470 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,0,0,1,0,0|1,0,0]=2 2471 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,0,0,1,0,0|1,1,0]=3 2472 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [0,0,0,1,0,0|3,0,0]=4 2473 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [0,0,0,1,0,0|3,0,0]=4 2474 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [0,0,0,1,0,0|3,0,0]=4 2475 B9R1.75 CCCN(C)CC1CS1 269982a_100000747261_100000031435 [0,0,0,1,0,0|3,0,0]=4 2476 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [0,0,0,1,0,0|2,0,0]=3 2477 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [0,0,0,1,0,0|2,0,0]=3 2478 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [0,0,0,1,0,0|2,0,0]=3 2479 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [0,0,0,1,0,0|3,0,0]=4 2480 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [0,0,0,1,0,0|3,0,0]=4 2481 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [0,0,0,1,0,0|3,0,0]=4 2482 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [0,0,0,1,0,0|3,0,0]=4 2483 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [0,0,0,1,0,0|3,0,0]=4 2484 B9R1.75 CNNC(=O)CC1CC1 22a_100016993582_100000738066 [0,0,0,1,0,0|3,0,0]=4 2485 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [0,0,0,1,0,0|3,0,0]=4 2486 B9R1.75 COCC(=O)CC1CO1 1458a_100000210968_100011216344 [0,0,0,1,0,0|2,1,0]=4 2487 B9R1.75 COCC(=O)CC1CS1 1458a_100000210968_100000031435 [0,0,0,1,0,0|2,0,0]=3 2488 B9R1.75 COCC(=O)C[C@@H]1CO1 1458a_100000210968_100000745022 [0,0,0,1,0,0|2,1,0]=4 2489 B9R1.75 CSCC(=O)CC1CC1 1458a_100000184570_100000742324 [0,0,0,1,0,0|3,0,0]=4 2490 B9R1.75 CSCC(=O)CC1CO1 1458a_100000184570_100011216344 [0,0,0,1,0,0|2,1,0]=4 2491 B9R1.75 CSCC(=O)CC1CS1 1458a_100000184570_100000031435 [0,0,0,1,0,0|2,0,0]=3 2492 B9R1.75 CSCC(=O)C[C@@H]1CO1 1458a_100000184570_100000745022 [0,0,0,1,0,0|2,1,0]=4 2493 B9R1.75 N#CCC(=O)CC1CS1 1458a_100051588842_100000031435 [0,0,0,1,0,0|2,0,1]=4 2494 B9R1.75 O=C(C=CBr)CC1CS1 1458a_100016273825_100000031435 [0,0,0,1,0,0|2,0,1]=4 2495 B9R1.75 O=C(C=CCl)CC1CS1 1458a_200016279998_100000031435 [0,0,0,1,0,0|2,0,1]=4 2496 B9R1.75 O=C(C=CI)CC1CS1 1458a_100016256311_100000031435 [0,0,0,1,0,0|2,0,1]=4 2497 B9R1.75 O=C(CCF)CC1CC1 1458a_100000738066_100011217306 [0,0,0,1,0,0|3,0,0]=4 2498 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [0,0,0,1,0,0|3,0,0]=4 2499 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [0,0,0,1,0,0|3,0,0]=4 2500 B9R1.75 O=C(CCO)CC1CO1 1458a_100011216618_100011216344 [0,0,0,1,0,0|2,1,0]=4 2501 B9R1.75 O=C(CCO)CC1CS1 1458a_100011216618_100000031435 [0,0,0,1,0,0|2,0,0]=3 2502 B9R1.75 O=C(CCO)C[C@@H]1CO1 1458a_100011216618_100000745022 [0,0,0,1,0,0|2,1,0]=4 2503 B9R1.100 C#CCCC(=O)C1CC1 1458a_100000210395_100000753159 [0,0,0,1,0,0|2,0,1]=4 2504 B9R1.100 C/C=C/CC(=O)C1CC1 1458a_100000210395_100102629194 [0,0,0,1,0,0|2,0,1]=4 2505 B9R1.100 C=CCCC(=O)C1CC1 1458a_100000210395_100000754431 [0,0,0,1,0,0|2,0,1]=4 2506 B9R1.100 CC#CCC(=O)C1CC1 1458a_100000210395_100000748600 [0,0,0,1,0,0|2,0,1]=4 2507 B9R1.100 CC=CCC(=O)C1CC1 1458a_100000210395_100000070051 [0,0,0,1,0,0|2,0,1]=4 2508 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,0,0,1,0,0|2,0,0]=3 2509 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,0,0,1,0,0|3,0,0]=4 2510 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [0,0,0,1,0,0|3,0,0]=4 2511 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [0,0,0,1,0,0|3,0,0]=4 2512 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [0,0,0,1,0,0|3,0,0]=4 2513 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [0,0,0,1,0,0|3,0,0]=4 2514 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [0,0,0,1,0,0|3,0,0]=4 2515 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [0,0,0,1,0,0|3,0,0]=4 2516 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [0,0,0,1,0,0|3,0,0]=4 2517 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [0,0,0,1,0,0|3,0,0]=4 2518 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [0,0,0,1,0,0|3,0,0]=4 2519 B9R1.100 CNCOC(=O)C1CC1 2230a_106832991635_100000140896 [0,0,0,1,0,0|3,0,0]=4 2520 B9R1.100 CNCOC(=O)C1CC1 34a_100102657272_100000140896 [0,0,0,1,0,0|3,0,0]=4 2521 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [0,0,0,1,0,0|1,1,0]=3 2522 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [0,0,0,1,0,0|2,1,0]=4 2523 B9R1.100 COCOC(=O)C1CC1 34a_100138415774_100000140896 [0,0,0,1,0,0|2,1,0]=4 2524 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [0,0,0,1,0,0|1,0,0]=2 2525 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [0,0,0,1,0,0|2,0,0]=3 2526 B9R1.100 CSCCN(C)C1CC1 2230a_100000226674_100000751147 [0,0,0,1,0,0|3,0,0]=4 2527 B9R1.100 CSCCN(C)C1CC1 269982a_100000226674_100000212216 [0,0,0,1,0,0|3,0,0]=4 2528 B9R1.100 CSCCN(C)C1CC1 269982a_100000686725_100000211595 [0,0,0,1,0,0|3,0,0]=4 2529 B9R1.100 CSCOC(=O)C1CC1 62a_100000140896_200000210301 [0,0,0,1,0,0|2,0,0]=3 2530 B9R1.100 CSCOC(=O)C1CC1 62a_200000210301_100000140896 [0,0,0,1,0,0|2,0,0]=3 2531 B9R1.100 N#CCCC(=O)C1CC1 1458a_100000210395_100011215226 [0,0,0,1,0,0|3,0,0]=4 2532 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [0,0,0,1,0,0|3,0,0]=4 2533 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [0,0,0,1,0,0|3,0,0]=4 2534 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_100000140896_200025704644 [0,0,0,1,0,0|2,0,0]=3 2535 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_200025704644_100000140896 [0,0,0,1,0,0|2,0,0]=3 2536 B9R1.134 CCOC1(CCCC1)C 34a_100000751722_100000210202 [0,0,0,1,0,0|2,0,1]=4 2537 B9R1.134 CCOC1(CCCC1)C 7a_100000751722_100000210202 [0,0,0,1,0,0|2,0,1]=4 2538 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [0,0,0,1,0,0|3,0,0]=4 2539 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [0,0,0,1,0,0|3,0,0]=4 2540 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,0,0,1,0,0|2,0,0]=3 2541 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [0,0,0,1,0,0|3,0,0]=4 2542 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,0,0,1,0,0|2,0,0]=3 2543 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,0,0,1,0,0|2,0,0]=3 2544 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [0,0,0,1,0,0|3,0,0]=4 2545 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [0,0,0,1,0,0|3,0,0]=4 2546 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [0,0,0,1,0,0|3,0,0]=4 2547 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [0,0,0,1,0,0|3,0,0]=4 2548 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [2,0,0,0,0,0|1,0,1]=4 2549 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [2,0,0,0,0,0|1,0,1]=4 2550 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|0,1,1]=4 2551 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|0,1,1]=4 2552 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|1,0,1]=4 2553 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|1,0,1]=4 2554 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|1,0,1]=4 2555 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|1,0,1]=4 2556 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [2,0,0,0,0,0|0,0,2]=4 2557 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [2,0,0,0,0,0|0,0,2]=4 2558 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [2,0,0,0,0,0|0,0,2]=4 2559 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [2,0,0,0,0,0|0,0,2]=4 2560 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [2,0,0,0,0,0|1,0,1]=4 2561 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [2,0,0,0,0,0|1,0,1]=4 2562 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [2,0,0,0,0,0|1,0,1]=4 2563 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [2,0,0,0,0,0|1,0,1]=4 2564 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [2,0,0,0,0,0|1,0,1]=4 2565 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [2,0,0,0,0,0|0,1,1]=4 2566 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [2,0,0,0,0,0|0,1,1]=4 2567 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [2,0,0,0,0,0|0,1,1]=4 2568 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [2,0,0,0,0,0|0,0,1]=3 2569 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [2,0,0,0,0,0|0,0,1]=3 2570 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [2,0,0,0,0,0|0,0,1]=3 2571 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [2,0,0,0,0,0|0,0,1]=3 2572 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|1,0,1]=4 2573 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [2,0,0,0,0,0|0,0,2]=4 2574 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [2,0,0,0,0,0|0,0,2]=4 2575 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [2,0,0,0,0,0|0,0,2]=4 2576 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [2,0,0,0,0,0|0,0,2]=4 2577 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,1]=4 2578 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 2579 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,1]=4 2580 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 2581 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,1]=4 2582 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|0,1,1]=4 2583 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|0,1,1]=4 2584 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|0,1,1]=4 2585 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|0,1,1]=4 2586 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|0,1,1]=4 2587 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|0,0,1]=3 2588 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|0,0,1]=3 2589 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|0,0,1]=3 2590 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|0,0,1]=3 2591 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 2592 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 2593 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 2594 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|0,0,1]=3 2595 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|0,0,1]=3 2596 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|0,0,1]=3 2597 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|1,0,1]=4 2598 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|1,0,1]=4 2599 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|0,1,1]=4 2600 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|0,1,1]=4 2601 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|2,0,0]=4 2602 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [2,0,0,0,0,0|1,0,1]=4 2603 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|2,0,0]=4 2604 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [2,0,0,0,0,0|1,0,1]=4 2605 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [2,0,0,0,0,0|1,0,1]=4 2606 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [2,0,0,0,0,0|1,1,0]=4 2607 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [2,0,0,0,0,0|1,1,0]=4 2608 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [2,0,0,0,0,0|1,0,0]=3 2609 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [2,0,0,0,0,0|1,0,0]=3 2610 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|1,0,1]=4 2611 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|1,0,1]=4 2612 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|1,0,1]=4 2613 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|1,0,1]=4 2614 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|1,0,1]=4 2615 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|0,1,1]=4 2616 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|1,0,0]=3 2617 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|1,0,0]=3 2618 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|1,0,0]=3 2619 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|1,0,0]=3 2620 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|1,0,0]=3 2621 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|1,0,0]=3 2622 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|1,0,0]=3 2623 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|0,1,0]=3 2624 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|0,1,0]=3 2625 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|0,1,0]=3 2626 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|0,1,0]=3 2627 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|0,1,0]=3 2628 B6R0.6 CCOCCON 34a_100000700252_100000210202 [2,0,0,0,0,0|1,1,0]=4 2629 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|0,1,0]=3 2630 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|0,1,0]=3 2631 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|0,0,0]=2 2632 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|0,0,0]=2 2633 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|0,0,0]=2 2634 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|0,0,0]=2 2635 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|0,0,0]=2 2636 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|0,0,0]=2 2637 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|0,0,0]=2 2638 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [2,0,0,0,0,0|1,0,1]=4 2639 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [2,0,0,0,0,0|1,0,1]=4 2640 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [2,0,0,0,0,0|1,1,0]=4 2641 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [2,0,0,0,0,0|1,1,0]=4 2642 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [2,0,0,0,0,0|1,1,0]=4 2643 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [2,0,0,0,0,0|1,1,0]=4 2644 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [2,0,0,0,0,0|1,1,0]=4 2645 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [2,0,0,0,0,0|0,2,0]=4 2646 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [2,0,0,0,0,0|0,2,0]=4 2647 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [2,0,0,0,0,0|0,2,0]=4 2648 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [2,0,0,0,0,0|0,2,0]=4 2649 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [2,0,0,0,0,0|0,2,0]=4 2650 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [2,0,0,0,0,0|0,2,0]=4 2651 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [2,0,0,0,0,0|0,2,0]=4 2652 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [2,0,0,0,0,0|0,1,0]=3 2653 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [2,0,0,0,0,0|0,1,0]=3 2654 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [2,0,0,0,0,0|0,1,0]=3 2655 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [2,0,0,0,0,0|0,1,0]=3 2656 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [2,0,0,0,0,0|0,1,0]=3 2657 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [2,0,0,0,0,0|0,1,0]=3 2658 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [2,0,0,0,0,0|1,0,1]=4 2659 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [2,0,0,0,0,0|1,0,1]=4 2660 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [2,0,0,0,0,0|1,0,1]=4 2661 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [2,0,0,0,0,0|1,0,1]=4 2662 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [2,0,0,0,0,0|1,0,1]=4 2663 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [2,0,0,0,0,0|1,0,1]=4 2664 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [2,0,0,0,0,0|1,0,1]=4 2665 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [2,0,0,0,0,0|1,0,1]=4 2666 B6R0.6 COCCCOC 34a_100000740835_200000210301 [2,0,0,0,0,0|0,1,1]=4 2667 B6R0.6 COCCCOC 34a_100138415774_100000740836 [2,0,0,0,0,0|0,1,1]=4 2668 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [2,0,0,0,0,0|0,1,1]=4 2669 B6R0.6 COCCCSC 34a_100000690336_200000210301 [2,0,0,0,0,0|0,0,1]=3 2670 B6R0.6 COCCCSC 62a_100000709357_200000210301 [2,0,0,0,0,0|0,0,1]=3 2671 B6R0.6 COCCCSC 62a_200000210301_100000709357 [2,0,0,0,0,0|0,0,1]=3 2672 B6R0.6 COCCCSC 7a_100000690336_200000210301 [2,0,0,0,0,0|0,0,1]=3 2673 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [2,0,0,0,0,0|0,0,1]=3 2674 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [2,0,0,0,0,0|0,0,1]=3 2675 B6R0.6 COCCOCF 34a_100000210237_100015361967 [2,0,0,0,0,0|1,1,0]=4 2676 B6R0.6 COCSCSC 62a_100000766300_100011218213 [2,0,0,0,0,0|1,0,1]=4 2677 B6R0.6 COCSCSC 62a_100011218213_100000766300 [2,0,0,0,0,0|1,0,1]=4 2678 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [2,0,0,0,0,0|1,0,1]=4 2679 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [2,0,0,0,0,0|1,0,1]=4 2680 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,1]=4 2681 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,1]=4 2682 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [2,0,0,0,0,0|1,0,1]=4 2683 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [2,0,0,0,0,0|0,0,1]=3 2684 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [2,0,0,0,0,0|0,0,1]=3 2685 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [2,0,0,0,0,0|1,0,0]=3 2686 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [2,0,0,0,0,0|1,0,0]=3 2687 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [2,0,0,0,0,0|1,1,0]=4 2688 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [2,0,0,0,0,0|1,1,0]=4 2689 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [2,0,0,0,0,0|1,0,1]=4 2690 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [2,0,0,0,0,0|1,0,1]=4 2691 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,1]=4 2692 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,1]=4 2693 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|0,0,2]=4 2694 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [2,0,0,0,0,0|0,0,2]=4 2695 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [2,0,0,0,0,0|0,0,2]=4 2696 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|0,0,2]=4 2697 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|0,0,2]=4 2698 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|0,0,2]=4 2699 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [2,0,0,0,0,0|0,0,2]=4 2700 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|0,0,2]=4 2701 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [2,0,0,0,0,0|1,0,1]=4 2702 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [2,0,0,0,0,0|1,0,1]=4 2703 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|1,0,0]=3 2704 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|0,1,0]=3 2705 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|0,1,0]=3 2706 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|1,0,0]=3 2707 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|0,1,0]=3 2708 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|0,1,0]=3 2709 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|0,1,0]=3 2710 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|0,0,0]=2 2711 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|0,0,0]=2 2712 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|0,0,0]=2 2713 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|0,0,0]=2 2714 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|0,0,0]=2 2715 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [2,0,0,0,0,0|2,0,0]=4 2716 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [2,0,0,0,0,0|1,0,1]=4 2717 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [2,0,0,0,0,0|1,0,1]=4 2718 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [2,0,0,0,0,0|1,0,1]=4 2719 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [2,0,0,0,0,0|1,0,1]=4 2720 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [2,0,0,0,0,0|0,0,2]=4 2721 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [2,0,0,0,0,0|0,0,2]=4 2722 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [2,0,0,0,0,0|0,0,2]=4 2723 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [2,0,0,0,0,0|0,0,2]=4 2724 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|0,0,0]=2 2725 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|0,0,0]=2 2726 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,0]=3 2727 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|1,0,0]=3 2728 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,0]=3 2729 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 2730 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 2731 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 2732 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 2733 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [2,0,0,0,0,0|1,0,1]=4 2734 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 2735 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 2736 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 2737 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [2,0,0,0,0,0|2,0,0]=4 2738 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [2,0,0,0,0,0|2,0,0]=4 2739 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [2,0,0,0,0,0|2,0,0]=4 2740 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [2,0,0,0,0,0|2,0,0]=4 2741 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [2,0,0,0,0,0|2,0,0]=4 2742 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [2,0,0,0,0,0|2,0,0]=4 2743 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [2,0,0,0,0,0|2,0,0]=4 2744 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [2,0,0,0,0,0|2,0,0]=4 2745 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [2,0,0,0,0,0|2,0,0]=4 2746 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [2,0,0,0,0,0|2,0,0]=4 2747 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 2748 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 2749 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 2750 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [2,0,0,0,0,0|1,1,0]=4 2751 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [2,0,0,0,0,0|1,1,0]=4 2752 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 2753 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 2754 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 2755 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 2756 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 2757 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 2758 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [2,0,0,0,0,0|1,0,1]=4 2759 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [2,0,0,0,0,0|1,0,1]=4 2760 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [2,0,0,0,0,0|1,0,1]=4 2761 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [2,0,0,0,0,0|1,0,1]=4 2762 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [2,0,0,0,0,0|1,0,1]=4 2763 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [2,0,0,0,0,0|1,0,1]=4 2764 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|1,1,0]=4 2765 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [2,0,0,0,0,0|2,0,0]=4 2766 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [2,0,0,0,0,0|1,1,0]=4 2767 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [2,0,0,0,0,0|1,1,0]=4 2768 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [2,0,0,0,0,0|1,1,0]=4 2769 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [2,0,0,0,0,0|1,1,0]=4 2770 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [2,0,0,0,0,0|1,1,0]=4 2771 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [2,0,0,0,0,0|1,1,0]=4 2772 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [2,0,0,0,0,0|1,1,0]=4 2773 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|1,0,0]=3 2774 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|1,0,0]=3 2775 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|1,0,0]=3 2776 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|1,0,0]=3 2777 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|1,0,0]=3 2778 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|1,0,0]=3 2779 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|1,0,0]=3 2780 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|1,0,0]=3 2781 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [2,0,0,0,0,0|2,0,0]=4 2782 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 2783 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [2,0,0,0,0,0|2,0,0]=4 2784 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 2785 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 2786 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|1,0,0]=3 2787 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 2788 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|0,0,0]=2 2789 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|0,0,0]=2 2790 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|0,0,0]=2 2791 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|0,0,0]=2 2792 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [2,0,0,0,0,0|1,1,0]=4 2793 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|0,1,0]=3 2794 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [2,0,0,0,0,0|1,0,0]=3 2795 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [2,0,0,0,0,0|1,1,0]=4 2796 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [2,0,0,0,0,0|2,0,0]=4 2797 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [2,0,0,0,0,0|1,1,0]=4 2798 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [2,0,0,0,0,0|1,0,1]=4 2799 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [2,0,0,0,0,0|1,0,1]=4 2800 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [2,0,0,0,0,0|1,0,1]=4 2801 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|1,0,1]=4 2802 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 2803 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|2,0,0]=4 2804 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 2805 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|1,1,0]=4 2806 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|1,1,0]=4 2807 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|1,1,0]=4 2808 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|1,0,0]=3 2809 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|1,0,0]=3 2810 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|1,0,0]=3 2811 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|1,0,0]=3 2812 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|1,0,1]=4 2813 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|1,0,1]=4 2814 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|1,0,1]=4 2815 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [2,0,0,0,0,0|1,0,1]=4 2816 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [2,0,0,0,0,0|1,0,1]=4 2817 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [2,0,0,0,0,0|1,0,1]=4 2818 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [2,0,0,0,0,0|2,0,0]=4 2819 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [2,0,0,0,0,0|2,0,0]=4 2820 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|2,0,0]=4 2821 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|2,0,0]=4 2822 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|0,1,0]=3 2823 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|0,1,0]=3 2824 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|0,0,0]=2 2825 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|0,0,0]=2 2826 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|1,0,0]=3 2827 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|1,0,0]=3 2828 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [2,0,0,0,0,0|1,0,1]=4 2829 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [2,0,0,0,0,0|1,0,1]=4 2830 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [2,0,0,0,0,0|0,0,2]=4 2831 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [2,0,0,0,0,0|0,0,2]=4 2832 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|1,0,1]=4 2833 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|1,0,1]=4 2834 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|1,0,1]=4 2835 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,0]=3 2836 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,0]=3 2837 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,0]=3 2838 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 2839 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 2840 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 2841 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|2,0,0]=4 2842 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|2,0,0]=4 2843 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|2,0,0]=4 2844 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|2,0,0]=4 2845 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|2,0,0]=4 2846 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|2,0,0]=4 2847 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|2,0,0]=4 2848 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [2,0,0,0,0,0|2,0,0]=4 2849 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,0]=3 2850 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 2851 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 2852 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 2853 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|2,0,0]=4 2854 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 2855 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|0,1,0]=3 2856 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|0,1,0]=3 2857 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|0,1,0]=3 2858 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|0,1,0]=3 2859 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|1,1,0]=4 2860 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|1,1,0]=4 2861 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|1,1,0]=4 2862 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|0,1,0]=3 2863 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|1,1,0]=4 2864 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [2,0,0,0,0,0|1,0,1]=4 2865 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [2,0,0,0,0,0|1,0,1]=4 2866 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|0,0,0]=2 2867 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|0,0,0]=2 2868 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|0,0,0]=2 2869 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|0,0,0]=2 2870 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|1,0,0]=3 2871 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|1,0,0]=3 2872 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|0,0,0]=2 2873 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [2,0,0,0,0,0|1,0,1]=4 2874 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [2,0,0,0,0,0|1,0,1]=4 2875 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [2,0,0,0,0,0|0,0,2]=4 2876 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [2,0,0,0,0,0|0,0,2]=4 2877 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [2,0,0,0,0,0|2,0,0]=4 2878 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [2,0,0,0,0,0|2,0,0]=4 2879 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [2,0,0,0,0,0|2,0,0]=4 2880 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [2,0,0,0,0,0|2,0,0]=4 2881 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [2,0,0,0,0,0|2,0,0]=4 2882 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [2,0,0,0,0,0|2,0,0]=4 2883 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [2,0,0,0,0,0|2,0,0]=4 2884 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|1,0,0]=3 2885 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|1,0,0]=3 2886 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [2,0,0,0,0,0|2,0,0]=4 2887 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 2888 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|1,1,0]=4 2889 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|1,1,0]=4 2890 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|1,0,0]=3 2891 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|1,0,0]=3 2892 B8R0.4 C#CCOCCCSC 34a_100000690336_100000184674 [1,1,0,0,0,0|0,0,2]=4 2893 B8R0.4 C#CCOCCCSC 7a_100000690336_100000038162 [1,1,0,0,0,0|0,0,2]=4 2894 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [1,1,0,0,0,0|0,0,2]=4 2895 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [1,1,0,0,0,0|0,0,2]=4 2896 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,1,0,0,0,0|1,1,0]=4 2897 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,1,0,0,0,0|1,1,0]=4 2898 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,1,0,0,0,0|1,1,0]=4 2899 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,1,0,0,0,0|1,1,0]=4 2900 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,1,0,0,0,0|2,0,0]=4 2901 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,1,0,0,0,0|1,1,0]=4 2902 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,1,0,0,0,0|1,1,0]=4 2903 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,1,0,0,0,0|1,1,0]=4 2904 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [1,1,0,0,0,0|1,1,0]=4 2905 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [1,1,0,0,0,0|1,1,0]=4 2906 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,1,0,0,0,0|1,0,0]=3 2907 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,1,0,0,0,0|1,0,0]=3 2908 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [1,1,0,0,0,0|1,0,0]=3 2909 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [1,1,0,0,0,0|1,0,0]=3 2910 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,1,0,0,0,0|2,0,0]=4 2911 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,1,0,0,0,0|2,0,0]=4 2912 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [1,1,0,0,0,0|1,0,0]=3 2913 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,1,0,0,0,0|2,0,0]=4 2914 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,1,0,0,0,0|2,0,0]=4 2915 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [1,1,0,0,0,0|1,1,0]=4 2916 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [1,1,0,0,0,0|1,1,0]=4 2917 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [1,1,0,0,0,0|1,0,0]=3 2918 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [1,1,0,0,0,0|1,0,0]=3 2919 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,1,0,0,0,0|1,0,1]=4 2920 B8R0.4 CCC#CCOCSC 34a_100000032950_100011218213 [1,1,0,0,0,0|1,0,1]=4 2921 B8R0.4 CCC#CCSCSC 62a_100009813939_100011218213 [1,1,0,0,0,0|1,0,1]=4 2922 B8R0.4 CCC#CCSCSC 62a_100011218213_100009813939 [1,1,0,0,0,0|1,0,1]=4 2923 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,1,0,0,0,0|1,0,1]=4 2924 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,1,0,0,0,0|1,0,1]=4 2925 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,1,0,0,0,0|2,0,0]=4 2926 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,1,0,0,0,0|2,0,0]=4 2927 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,1,0,0,0,0|2,0,0]=4 2928 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,1,0,0,0,0|2,0,0]=4 2929 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [1,1,0,0,0,0|2,0,0]=4 2930 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,1,0,0,0,0|1,0,1]=4 2931 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,1,0,0,0,0|1,0,1]=4 2932 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,1,0,0,0,0|1,0,1]=4 2933 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,1,0,0,0,0|1,0,1]=4 2934 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,1,0,0,0,0|1,0,1]=4 2935 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,1,0,0,0,0|1,0,1]=4 2936 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,1,0,0,0,0|1,0,1]=4 2937 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,1,0,0,0,0|1,0,1]=4 2938 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,1,0,0,0,0|1,0,1]=4 2939 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,1,0,0,0,0|1,0,1]=4 2940 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,1,0,0,0,0|1,0,1]=4 2941 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,1,0,0,0,0|1,0,1]=4 2942 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,1,0,0,0,0|1,0,1]=4 2943 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,1,0,0,0,0|1,0,1]=4 2944 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,1,0,0,0,0|1,0,1]=4 2945 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,1,0,0,0,0|1,0,1]=4 2946 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,1,0,0,0,0|1,0,1]=4 2947 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,1,0,0,0,0|1,0,1]=4 2948 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,1,0,0,0,0|1,0,1]=4 2949 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,1,0,0,0,0|1,0,1]=4 2950 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,1,0,0,0,0|1,0,1]=4 2951 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,1,0,0,0,0|1,0,1]=4 2952 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,1,0,0,0,0|1,0,1]=4 2953 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,1,0,0,0,0|1,0,1]=4 2954 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,1,0,0,0,0|1,0,1]=4 2955 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,1,0,0,0,0|1,0,1]=4 2956 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,1,0,0,0,0|1,0,1]=4 2957 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,1,0,0,0,0|1,0,1]=4 2958 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,1,0,0,0,0|1,0,1]=4 2959 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,1,0,0,0,0|1,0,1]=4 2960 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,1,0,0,0,0|1,0,1]=4 2961 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,1,0,0,0,0|1,0,1]=4 2962 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,1,0,0,0,0|1,0,1]=4 2963 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,1,0,0,0,0|1,0,1]=4 2964 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,1,0,0,0,0|1,0,1]=4 2965 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,1,0,0,0,0|1,0,1]=4 2966 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,1,0,0,0,0|1,0,1]=4 2967 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,1,0,0,0,0|1,0,1]=4 2968 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,1,0,0,0,0|1,0,1]=4 2969 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,1,0,0,0,0|1,0,1]=4 2970 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,1,0,0,0,0|1,0,1]=4 2971 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,1,0,0,0,0|1,0,1]=4 2972 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,1,0,0,0,0|1,0,1]=4 2973 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,1,0,0,0,0|2,0,0]=4 2974 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,1,0,0,0,0|1,0,1]=4 2975 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,1,0,0,0,0|1,0,1]=4 2976 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,1,0,0,0,0|1,0,1]=4 2977 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,1,0,0,0,0|1,0,1]=4 2978 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,1,0,0,0,0|1,0,1]=4 2979 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,1,0,0,0,0|0,1,1]=4 2980 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,1,0,0,0,0|0,1,1]=4 2981 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,1,0,0,0,0|0,0,1]=3 2982 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,1,0,0,0,0|0,0,1]=3 2983 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,1,0,0,0,0|1,0,1]=4 2984 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,1,0,0,0,0|1,0,1]=4 2985 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,1,0,0,0,0|1,0,1]=4 2986 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,1,0,0,0,0|1,0,1]=4 2987 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,1,0,0,0,0|1,0,1]=4 2988 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,1,0,0,0,0|1,0,1]=4 2989 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,1,0,0,0,0|2,0,0]=4 2990 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,1,0,0,0,0|2,0,0]=4 2991 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,1,0,0,0,0|2,0,0]=4 2992 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,1,0,0,0,0|2,0,0]=4 2993 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,1,0,0,0,0|2,0,0]=4 2994 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [1,1,0,0,0,0|2,0,0]=4 2995 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [1,1,0,0,0,0|2,0,0]=4 2996 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,1,0,0,0,0|1,0,1]=4 2997 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,1,0,0,0,0|1,0,1]=4 2998 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,1,0,0,0,0|1,0,1]=4 2999 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,1,0,0,0,0|1,0,1]=4 3000 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,1,0,0,0,0|2,0,0]=4 3001 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,1,0,0,0,0|2,0,0]=4 3002 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,1,0,0,0,0|1,0,1]=4 3003 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,1,0,0,0,0|1,0,1]=4 3004 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,1,0,0,0,0|1,0,1]=4 3005 B8R0.4 CCNN=CCCSC 4a_100000756455_100000210997 [1,1,0,0,0,0|1,0,0]=3 3006 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,1,0,0,0,0|1,0,1]=4 3007 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,1,0,0,0,0|1,0,1]=4 3008 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,1,0,0,0,0|1,0,1]=4 3009 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,1,0,0,0,0|1,0,1]=4 3010 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,1,0,0,0,0|1,0,1]=4 3011 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,1,0,0,0,0|1,0,1]=4 3012 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,1,0,0,0,0|1,0,1]=4 3013 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,1,0,0,0,0|1,0,1]=4 3014 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,1,0,0,0,0|1,0,1]=4 3015 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,1,0,0,0,0|0,1,1]=4 3016 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,1,0,0,0,0|0,1,1]=4 3017 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,1,0,0,0,0|0,0,1]=3 3018 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,1,0,0,0,0|0,0,1]=3 3019 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [1,1,0,0,0,0|1,0,1]=4 3020 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,1,0,0,0,0|0,1,1]=4 3021 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,1,0,0,0,0|0,1,1]=4 3022 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,1,0,0,0,0|0,1,1]=4 3023 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [1,1,0,0,0,0|0,1,1]=4 3024 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [1,1,0,0,0,0|0,1,1]=4 3025 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,1,0,0,0,0|0,0,1]=3 3026 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,1,0,0,0,0|0,0,1]=3 3027 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,1,0,0,0,0|0,0,1]=3 3028 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,1,0,0,0,0|0,0,1]=3 3029 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [1,1,0,0,0,0|0,0,1]=3 3030 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [1,1,0,0,0,0|0,0,1]=3 3031 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [1,1,0,0,0,0|0,1,1]=4 3032 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [1,1,0,0,0,0|0,0,1]=3 3033 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [1,1,0,0,0,0|0,0,1]=3 3034 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [1,1,0,0,0,0|0,0,1]=3 3035 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [1,1,0,0,0,0|0,1,1]=4 3036 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [1,1,0,0,0,0|0,1,1]=4 3037 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [1,1,0,0,0,0|0,0,1]=3 3038 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [1,1,0,0,0,0|0,0,1]=3 3039 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [1,1,0,0,0,0|0,1,1]=4 3040 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [1,1,0,0,0,0|0,1,1]=4 3041 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [1,1,0,0,0,0|0,0,1]=3 3042 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [1,1,0,0,0,0|0,0,1]=3 3043 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [1,1,0,0,0,0|1,0,1]=4 3044 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [1,1,0,0,0,0|1,0,1]=4 3045 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [1,1,0,0,0,0|0,1,1]=4 3046 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [1,1,0,0,0,0|0,1,1]=4 3047 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [1,1,0,0,0,0|0,1,1]=4 3048 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [1,1,0,0,0,0|0,1,1]=4 3049 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [1,1,0,0,0,0|1,0,1]=4 3050 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,1,0,0,0,0|1,0,1]=4 3051 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [1,1,0,0,0,0|1,0,1]=4 3052 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [1,1,0,0,0,0|0,1,1]=4 3053 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [1,1,0,0,0,0|0,1,1]=4 3054 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [1,1,0,0,0,0|0,1,1]=4 3055 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,1,0,0,0,0|0,1,1]=4 3056 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [1,1,0,0,0,0|0,1,1]=4 3057 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [1,1,0,0,0,0|2,0,0]=4 3058 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [1,1,0,0,0,0|2,0,0]=4 3059 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [1,1,0,0,0,0|2,0,0]=4 3060 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [1,1,0,0,0,0|2,0,0]=4 3061 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [1,1,0,0,0,0|2,0,0]=4 3062 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [1,1,0,0,0,0|2,0,0]=4 3063 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [1,1,0,0,0,0|2,0,0]=4 3064 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [1,1,0,0,0,0|2,0,0]=4 3065 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [1,1,0,0,0,0|2,0,0]=4 3066 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [1,1,0,0,0,0|2,0,0]=4 3067 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [1,1,0,0,0,0|2,0,0]=4 3068 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [1,1,0,0,0,0|1,0,1]=4 3069 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,1,0,0,0,0|1,0,1]=4 3070 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,1,0,0,0,0|1,0,1]=4 3071 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,1,0,0,0,0|1,0,1]=4 3072 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,1,0,0,0,0|1,0,1]=4 3073 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [1,1,0,0,0,0|1,0,1]=4 3074 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [1,1,0,0,0,0|1,0,1]=4 3075 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [1,1,0,0,0,0|1,0,1]=4 3076 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,1,0,0,0,0|1,0,1]=4 3077 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [1,1,0,0,0,0|1,0,1]=4 3078 B8R0.4 CSCCCOCC#N 7a_100000690336_100011215382 [1,1,0,0,0,0|0,0,2]=4 3079 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,1,0,0,0,0|0,0,2]=4 3080 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,1,0,0,0,0|0,0,2]=4 3081 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [1,1,0,0,0,0|0,0,1]=3 3082 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [1,1,0,0,0,0|0,0,1]=3 3083 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,1,0,0,0,0|0,0,1]=3 3084 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,1,0,0,0,0|0,0,1]=3 3085 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [1,1,0,0,0,0|0,0,1]=3 3086 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [1,1,0,0,0,0|2,0,0]=4 3087 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [1,1,0,0,0,0|2,0,0]=4 3088 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [1,1,0,0,0,0|2,0,0]=4 3089 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [1,1,0,0,0,0|2,0,0]=4 3090 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [1,1,0,0,0,0|2,0,0]=4 3091 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [1,1,0,0,0,0|2,0,0]=4 3092 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [1,1,0,0,0,0|2,0,0]=4 3093 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [1,1,0,0,0,0|2,0,0]=4 3094 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [1,1,0,0,0,0|2,0,0]=4 3095 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [1,1,0,0,0,0|2,0,0]=4 3096 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [1,1,0,0,0,0|2,0,0]=4 3097 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [1,1,0,0,0,0|2,0,0]=4 3098 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [1,1,0,0,0,0|2,0,0]=4 3099 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [1,1,0,0,0,0|2,0,0]=4 3100 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [1,1,0,0,0,0|2,0,0]=4 3101 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [1,1,0,0,0,0|2,0,0]=4 3102 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [1,1,0,0,0,0|2,0,0]=4 3103 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [1,1,0,0,0,0|2,0,0]=4 3104 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [1,1,0,0,0,0|2,0,0]=4 3105 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [1,1,0,0,0,0|2,0,0]=4 3106 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,1,0,0,0,0|1,0,1]=4 3107 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,1,0,0,0,0|1,0,1]=4 3108 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,1,0,0,0,0|1,0,1]=4 3109 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,1,0,0,0,0|1,0,1]=4 3110 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,1,0,0,0,0|1,0,1]=4 3111 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [1,1,0,0,0,0|2,0,0]=4 3112 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [1,1,0,0,0,0|2,0,0]=4 3113 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [1,1,0,0,0,0|2,0,0]=4 3114 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [1,1,0,0,0,0|2,0,0]=4 3115 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [1,1,0,0,0,0|2,0,0]=4 3116 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [1,1,0,0,0,0|2,0,0]=4 3117 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [1,1,0,0,0,0|2,0,0]=4 3118 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [1,1,0,0,0,0|2,0,0]=4 3119 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [1,1,0,0,0,0|2,0,0]=4 3120 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [1,1,0,0,0,0|2,0,0]=4 3121 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [1,1,0,0,0,0|2,0,0]=4 3122 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,1,0,0,0,0|1,0,1]=4 3123 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,1,0,0,0,0|1,0,1]=4 3124 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,1,0,0,0,0|1,0,1]=4 3125 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,1,0,0,0,0|1,0,1]=4 3126 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [1,1,0,0,0,0|1,0,1]=4 3127 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [1,1,0,0,0,0|1,0,1]=4 3128 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,1,0,0,0,0|1,0,1]=4 3129 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [1,1,0,0,0,0|1,0,1]=4 3130 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,1,0,0,0,0|0,1,1]=4 3131 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,1,0,0,0,0|0,0,2]=4 3132 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,1,0,0,0,0|0,0,2]=4 3133 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [1,1,0,0,0,0|0,0,2]=4 3134 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [1,1,0,0,0,0|0,0,2]=4 3135 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|1,0,1]=4 3136 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|1,0,1]=4 3137 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [1,1,0,0,0,0|1,0,1]=4 3138 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [1,1,0,0,0,0|1,0,1]=4 3139 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|2,0,0]=4 3140 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [1,1,0,0,0,0|2,0,0]=4 3141 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [1,1,0,0,0,0|2,0,0]=4 3142 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,1,0,0,0,0|1,0,1]=4 3143 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,1,0,0,0,0|1,0,1]=4 3144 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,1,0,0,0,0|1,0,1]=4 3145 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|1,0,1]=4 3146 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|1,0,1]=4 3147 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|1,0,1]=4 3148 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|1,0,1]=4 3149 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,1,0,0,0,0|1,0,1]=4 3150 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,1,0,0,0,0|1,0,1]=4 3151 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,1,0,0,0,0|1,0,1]=4 3152 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|1,0,1]=4 3153 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [1,1,0,0,0,0|1,0,1]=4 3154 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [1,1,0,0,0,0|1,0,1]=4 3155 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [1,1,0,0,0,0|1,0,1]=4 3156 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [1,1,0,0,0,0|1,0,1]=4 3157 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [1,1,0,0,0,0|1,0,1]=4 3158 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [1,1,0,0,0,0|0,1,1]=4 3159 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [1,1,0,0,0,0|0,1,1]=4 3160 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|1,0,1]=4 3161 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|1,0,1]=4 3162 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [1,1,0,0,0,0|1,0,1]=4 3163 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,1,0,0,0,0|0,0,2]=4 3164 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,1,0,0,0,0|0,0,2]=4 3165 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [1,1,0,0,0,0|0,0,2]=4 3166 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [1,1,0,0,0,0|0,0,2]=4 3167 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [1,1,0,0,0,0|0,0,1]=3 3168 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [1,1,0,0,0,0|0,0,1]=3 3169 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [1,1,0,0,0,0|2,0,0]=4 3170 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [1,1,0,0,0,0|2,0,0]=4 3171 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [1,1,0,0,0,0|2,0,0]=4 3172 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [1,1,0,0,0,0|2,0,0]=4 3173 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [1,1,0,0,0,0|2,0,0]=4 3174 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [1,1,0,0,0,0|2,0,0]=4 3175 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [1,1,0,0,0,0|2,0,0]=4 3176 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [1,1,0,0,0,0|2,0,0]=4 3177 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [1,1,0,0,0,0|2,0,0]=4 3178 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [1,1,0,0,0,0|2,0,0]=4 3179 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [1,1,0,0,0,0|2,0,0]=4 3180 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [1,1,0,0,0,0|2,0,0]=4 3181 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [1,1,0,0,0,0|2,0,0]=4 3182 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [1,1,0,0,0,0|2,0,0]=4 3183 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [1,1,0,0,0,0|2,0,0]=4 3184 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [1,1,0,0,0,0|2,0,0]=4 3185 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [1,1,0,0,0,0|2,0,0]=4 3186 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [1,1,0,0,0,0|2,0,0]=4 3187 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [1,1,0,0,0,0|2,0,0]=4 3188 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [1,1,0,0,0,0|2,0,0]=4 3189 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [1,1,0,0,0,0|2,0,0]=4 3190 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [1,1,0,0,0,0|2,0,0]=4 3191 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [1,1,0,0,0,0|2,0,0]=4 3192 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [1,1,0,0,0,0|2,0,0]=4 3193 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [1,1,0,0,0,0|2,0,0]=4 3194 B8R0.7 CSCSCOC(C)C 62a_100000709892_100011218213 [1,1,0,0,0,0|1,0,1]=4 3195 B8R0.7 CSCSCOC(C)C 62a_100011218213_100000709892 [1,1,0,0,0,0|1,0,1]=4 3196 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [1,1,0,0,0,0|1,0,1]=4 3197 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [1,1,0,0,0,0|0,1,1]=4 3198 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [1,1,0,0,0,0|0,0,1]=3 3199 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [1,1,0,0,0,0|0,0,1]=3 3200 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [1,1,0,0,0,0|0,0,1]=3 3201 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [1,1,0,0,0,0|0,0,1]=3 3202 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [1,1,0,0,0,0|1,0,1]=4 3203 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [1,1,0,0,0,0|2,0,0]=4 3204 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [1,1,0,0,0,0|2,0,0]=4 3205 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [1,1,0,0,0,0|0,1,0]=3 3206 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [1,1,0,0,0,0|0,1,0]=3 3207 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [1,1,0,0,0,0|0,0,0]=2 3208 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|1,0,0]=3 3209 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|1,0,0]=3 3210 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [1,1,0,0,0,0|2,0,0]=4 3211 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|2,0,0]=4 3212 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,1,0,0,0,0|2,0,0]=4 3213 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,1,0,0,0,0|2,0,0]=4 3214 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,1,0,0,0,0|2,0,0]=4 3215 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,1,0,0,0,0|2,0,0]=4 3216 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [1,1,0,0,0,0|2,0,0]=4 3217 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [1,1,0,0,0,0|2,0,0]=4 3218 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [1,1,0,0,0,0|2,0,0]=4 3219 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [1,1,0,0,0,0|2,0,0]=4 3220 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|1,0,0]=3 3221 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [1,1,0,0,0,0|2,0,0]=4 3222 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,1,0,0,0,0|2,0,0]=4 3223 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [1,1,0,0,0,0|2,0,0]=4 3224 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,1,0,0,0,0|2,0,0]=4 3225 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [1,1,0,0,0,0|2,0,0]=4 3226 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,1,0,0,0,0|2,0,0]=4 3227 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,1,0,0,0,0|2,0,0]=4 3228 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [1,1,0,0,0,0|2,0,0]=4 3229 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [1,1,0,0,0,0|2,0,0]=4 3230 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [1,1,0,0,0,0|2,0,0]=4 3231 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,1,0,0,0,0|2,0,0]=4 3232 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,1,0,0,0,0|2,0,0]=4 3233 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [1,1,0,0,0,0|2,0,0]=4 3234 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [1,1,0,0,0,0|2,0,0]=4 3235 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [1,1,0,0,0,0|1,1,0]=4 3236 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [1,1,0,0,0,0|1,1,0]=4 3237 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [1,1,0,0,0,0|1,1,0]=4 3238 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [1,1,0,0,0,0|1,1,0]=4 3239 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [1,1,0,0,0,0|1,0,0]=3 3240 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [1,1,0,0,0,0|1,0,0]=3 3241 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [1,1,0,0,0,0|1,0,0]=3 3242 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [1,1,0,0,0,0|1,0,0]=3 3243 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [1,1,0,0,0,0|1,0,1]=4 3244 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [1,1,0,0,0,0|2,0,0]=4 3245 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [1,1,0,0,0,0|2,0,0]=4 3246 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,1,0,0,0,0|1,0,0]=3 3247 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [1,1,0,0,0,0|0,0,1]=3 3248 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [1,1,0,0,0,0|0,0,1]=3 3249 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [1,1,0,0,0,0|0,0,1]=3 3250 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [1,1,0,0,0,0|0,0,1]=3 3251 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,1,0,0,0,0|0,1,0]=3 3252 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,1,0,0,0,0|0,1,0]=3 3253 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,1,0,0,0,0|0,0,0]=2 3254 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,1,0,0,0,0|0,0,0]=2 3255 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,1,0,0,0,0|0,0,0]=2 3256 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,1,0,0,0,0|0,0,0]=2 3257 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [1,1,0,0,0,0|0,1,0]=3 3258 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [1,1,0,0,0,0|0,1,0]=3 3259 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [1,1,0,0,0,0|0,1,1]=4 3260 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [1,1,0,0,0,0|1,1,0]=4 3261 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [1,1,0,0,0,0|1,1,0]=4 3262 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,1,0,0,0,0|0,1,0]=3 3263 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,1,0,0,0,0|0,1,0]=3 3264 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,1,0,0,0,0|0,1,0]=3 3265 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [1,1,0,0,0,0|0,1,0]=3 3266 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [1,1,0,0,0,0|0,1,0]=3 3267 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [1,1,0,0,0,0|1,0,0]=3 3268 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [1,1,0,0,0,0|1,0,1]=4 3269 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [1,1,0,0,0,0|1,0,1]=4 3270 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [1,1,0,0,0,0|1,0,1]=4 3271 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [1,1,0,0,0,0|1,0,1]=4 3272 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [1,1,0,0,0,0|1,0,1]=4 3273 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [1,1,0,0,0,0|1,0,1]=4 3274 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [1,1,0,0,0,0|1,0,1]=4 3275 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [1,1,0,0,0,0|1,0,1]=4 3276 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [1,1,0,0,0,0|1,0,1]=4 3277 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|1,0,1]=4 3278 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [1,1,0,0,0,0|0,1,1]=4 3279 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [1,1,0,0,0,0|0,0,1]=3 3280 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [1,1,0,0,0,0|1,0,1]=4 3281 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [1,1,0,0,0,0|1,0,1]=4 3282 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [1,1,0,0,0,0|1,0,1]=4 3283 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [1,1,0,0,0,0|1,0,1]=4 3284 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [1,1,0,0,0,0|1,0,1]=4 3285 B8R0.8 CC#CCC(=O)C(C)C 1458a_100000210198_100000748600 [1,1,0,0,0,0|1,0,1]=4 3286 B8R0.8 CC#CCC(=O)C(C)F 1458a_100000062450_100000748600 [1,1,0,0,0,0|1,0,1]=4 3287 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [1,1,0,0,0,0|1,0,1]=4 3288 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [1,1,0,0,0,0|1,0,1]=4 3289 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [1,1,0,0,0,0|2,0,0]=4 3290 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [1,1,0,0,0,0|2,0,0]=4 3291 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [1,1,0,0,0,0|2,0,0]=4 3292 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [1,1,0,0,0,0|2,0,0]=4 3293 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [1,1,0,0,0,0|1,0,0]=3 3294 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [1,1,0,0,0,0|1,0,0]=3 3295 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [1,1,0,0,0,0|2,0,0]=4 3296 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [1,1,0,0,0,0|2,0,0]=4 3297 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [1,1,0,0,0,0|2,0,0]=4 3298 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [1,1,0,0,0,0|1,0,1]=4 3299 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [1,1,0,0,0,0|1,0,1]=4 3300 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [1,1,0,0,0,0|1,0,1]=4 3301 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [1,1,0,0,0,0|1,0,1]=4 3302 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [1,1,0,0,0,0|1,0,1]=4 3303 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,1,0,0,0,0|1,0,0]=3 3304 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,1,0,0,0,0|1,0,0]=3 3305 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,1,0,0,0,0|1,0,0]=3 3306 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [1,1,0,0,0,0|2,0,0]=4 3307 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [1,1,0,0,0,0|2,0,0]=4 3308 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [1,1,0,0,0,0|2,0,0]=4 3309 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [1,1,0,0,0,0|2,0,0]=4 3310 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [1,1,0,0,0,0|2,0,0]=4 3311 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|1,0,0]=3 3312 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|1,0,0]=3 3313 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [1,1,0,0,0,0|2,0,0]=4 3314 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [1,1,0,0,0,0|2,0,0]=4 3315 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [1,1,0,0,0,0|2,0,0]=4 3316 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [1,1,0,0,0,0|2,0,0]=4 3317 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [1,1,0,0,0,0|2,0,0]=4 3318 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [1,1,0,0,0,0|2,0,0]=4 3319 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [1,1,0,0,0,0|2,0,0]=4 3320 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [1,1,0,0,0,0|2,0,0]=4 3321 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [1,1,0,0,0,0|2,0,0]=4 3322 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [1,1,0,0,0,0|2,0,0]=4 3323 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [1,1,0,0,0,0|2,0,0]=4 3324 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [1,1,0,0,0,0|2,0,0]=4 3325 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [1,1,0,0,0,0|2,0,0]=4 3326 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [1,1,0,0,0,0|2,0,0]=4 3327 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [1,1,0,0,0,0|2,0,0]=4 3328 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [1,1,0,0,0,0|2,0,0]=4 3329 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [1,1,0,0,0,0|2,0,0]=4 3330 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [1,1,0,0,0,0|2,0,0]=4 3331 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [1,1,0,0,0,0|1,1,0]=4 3332 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [1,1,0,0,0,0|1,0,0]=3 3333 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [1,1,0,0,0,0|1,0,0]=3 3334 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [1,1,0,0,0,0|2,0,0]=4 3335 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [1,1,0,0,0,0|2,0,0]=4 3336 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [1,1,0,0,0,0|2,0,0]=4 3337 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [1,1,0,0,0,0|0,1,0]=3 3338 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [1,1,0,0,0,0|0,1,0]=3 3339 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [1,1,0,0,0,0|0,1,0]=3 3340 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [1,1,0,0,0,0|1,1,0]=4 3341 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [1,1,0,0,0,0|1,1,0]=4 3342 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [1,1,0,0,0,0|1,1,0]=4 3343 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [1,1,0,0,0,0|1,1,0]=4 3344 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [1,1,0,0,0,0|1,1,0]=4 3345 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [1,1,0,0,0,0|1,1,0]=4 3346 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [1,1,0,0,0,0|0,1,0]=3 3347 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [1,1,0,0,0,0|0,1,0]=3 3348 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [1,1,0,0,0,0|0,0,0]=2 3349 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [1,1,0,0,0,0|0,0,0]=2 3350 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [1,1,0,0,0,0|0,0,0]=2 3351 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [1,1,0,0,0,0|1,0,0]=3 3352 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [1,1,0,0,0,0|1,0,0]=3 3353 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [1,1,0,0,0,0|1,0,0]=3 3354 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [1,1,0,0,0,0|1,0,0]=3 3355 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [1,1,0,0,0,0|1,0,0]=3 3356 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [1,1,0,0,0,0|1,0,0]=3 3357 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [1,1,0,0,0,0|1,0,0]=3 3358 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [1,1,0,0,0,0|0,0,0]=2 3359 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [1,1,0,0,0,0|0,0,0]=2 3360 B8R0.8 CSCCN(C)C(C)C 2230a_100000686725_100000210206 [1,1,0,0,0,0|2,0,0]=4 3361 B8R0.8 CSCCN(C)C(C)C 269982a_100000686725_100000210206 [1,1,0,0,0,0|2,0,0]=4 3362 B8R0.8 CSCCN(C)C(C)C 269982a_200000211004_100000212216 [1,1,0,0,0,0|2,0,0]=4 3363 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [1,1,0,0,0,0|1,0,0]=3 3364 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [1,1,0,0,0,0|1,0,0]=3 3365 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [1,1,0,0,0,0|2,0,0]=4 3366 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [1,1,0,0,0,0|2,0,0]=4 3367 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,1,0,0,0,0|2,0,0]=4 3368 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [1,1,0,0,0,0|2,0,0]=4 3369 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [1,1,0,0,0,0|2,0,0]=4 3370 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,1,0,0,0,0|2,0,0]=4 3371 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,1,0,0,0,0|1,0,0]=3 3372 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,1,0,0,0,0|1,0,0]=3 3373 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [1,1,0,0,0,0|2,0,0]=4 3374 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [1,1,0,0,0,0|2,0,0]=4 3375 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [1,1,0,0,0,0|2,0,0]=4 3376 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [1,1,0,0,0,0|2,0,0]=4 3377 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [1,1,0,0,0,0|2,0,0]=4 3378 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [1,1,0,0,0,0|2,0,0]=4 3379 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [1,1,0,0,0,0|2,0,0]=4 3380 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [1,1,0,0,0,0|2,0,0]=4 3381 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [1,1,0,0,0,0|2,0,0]=4 3382 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [1,1,0,0,0,0|2,0,0]=4 3383 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [1,1,0,0,0,0|2,0,0]=4 3384 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|2,0,0]=4 3385 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|2,0,0]=4 3386 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,1,0,0,0,0|1,0,1]=4 3387 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,1,0,0,0,0|1,0,1]=4 3388 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,1,0,0,0,0|2,0,0]=4 3389 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|1,0,0]=3 3390 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|1,0,0]=3 3391 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|1,0,0]=3 3392 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [1,1,0,0,0,0|2,0,0]=4 3393 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [1,1,0,0,0,0|0,0,1]=3 3394 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [1,1,0,0,0,0|2,0,0]=4 3395 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,1,0,0,0,0|2,0,0]=4 3396 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [1,1,0,0,0,0|2,0,0]=4 3397 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [1,1,0,0,0,0|2,0,0]=4 3398 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [1,1,0,0,0,0|2,0,0]=4 3399 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [1,1,0,0,0,0|2,0,0]=4 3400 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [1,1,0,0,0,0|2,0,0]=4 3401 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [1,1,0,0,0,0|2,0,0]=4 3402 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,1,0,0,0,0|2,0,0]=4 3403 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,1,0,0,0,0|2,0,0]=4 3404 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 3405 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 3406 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 3407 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 3408 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,1,0,0,0,0|2,0,0]=4 3409 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,1,0,0,0,0|2,0,0]=4 3410 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,1,0,0,0,0|2,0,0]=4 3411 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,1,0,0,0,0|2,0,0]=4 3412 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,1,0,0,0,0|2,0,0]=4 3413 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,1,0,0,0,0|2,0,0]=4 3414 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,1,0,0,0,0|2,0,0]=4 3415 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,1,0,0,0,0|2,0,0]=4 3416 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,1,0,0,0,0|2,0,0]=4 3417 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,1,0,0,0,0|2,0,0]=4 3418 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,1,0,0,0,0|2,0,0]=4 3419 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,1,0,0,0,0|2,0,0]=4 3420 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [1,1,0,0,0,0|2,0,0]=4 3421 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [1,1,0,0,0,0|2,0,0]=4 3422 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [1,1,0,0,0,0|2,0,0]=4 3423 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [1,1,0,0,0,0|2,0,0]=4 3424 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [1,1,0,0,0,0|2,0,0]=4 3425 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [1,1,0,0,0,0|2,0,0]=4 3426 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [1,1,0,0,0,0|2,0,0]=4 3427 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [1,1,0,0,0,0|2,0,0]=4 3428 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [1,1,0,0,0,0|2,0,0]=4 3429 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [1,1,0,0,0,0|1,0,1]=4 3430 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [1,1,0,0,0,0|1,0,1]=4 3431 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [1,1,0,0,0,0|1,0,1]=4 3432 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,1,0,0,0,0|1,0,0]=3 3433 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,1,0,0,0,0|1,0,0]=3 3434 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [1,1,0,0,0,0|1,0,0]=3 3435 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [1,1,0,0,0,0|1,0,0]=3 3436 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [1,1,0,0,0,0|1,0,0]=3 3437 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [1,1,0,0,0,0|1,0,0]=3 3438 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [1,1,0,0,0,0|2,0,0]=4 3439 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [1,1,0,0,0,0|2,0,0]=4 3440 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [1,1,0,0,0,0|2,0,0]=4 3441 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [1,1,0,0,0,0|2,0,0]=4 3442 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [1,1,0,0,0,0|2,0,0]=4 3443 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [1,1,0,0,0,0|2,0,0]=4 3444 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [1,1,0,0,0,0|2,0,0]=4 3445 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [1,1,0,0,0,0|2,0,0]=4 3446 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [1,1,0,0,0,0|1,0,1]=4 3447 B8R0.11 CCN(CC)CCSC 2230a_100000724800_100000751147 [1,1,0,0,0,0|2,0,0]=4 3448 B8R0.11 CCN(CC)CCSC 269956a_100000042499_100000212216 [1,1,0,0,0,0|2,0,0]=4 3449 B8R0.11 CCN(CC)CCSC 269982a_100000724800_100000212216 [1,1,0,0,0,0|2,0,0]=4 3450 B8R0.11 CCN(CC)CCSC 62a_200000210301_100000700428 [1,1,0,0,0,0|2,0,0]=4 3451 B8R0.11 CCN(CC)CCS[13CH3] 62a_200025704644_100000700428 [1,1,0,0,0,0|2,0,0]=4 3452 B8R0.11 COC(CCSC)OC 62a_100000139399_200000210301 [1,1,0,0,0,0|0,0,2]=4 3453 B8R0.11 COC(CCSC)OC 62a_200000210301_100000139399 [1,1,0,0,0,0|0,0,2]=4 3454 B8R0.11 COC(CCS[13CH3])OC 62a_100000139399_200025704644 [1,1,0,0,0,0|0,0,2]=4 3455 B8R0.11 COC(CCS[13CH3])OC 62a_200025704644_100000139399 [1,1,0,0,0,0|0,0,2]=4 3456 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [1,1,0,0,0,0|1,0,1]=4 3457 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [1,1,0,0,0,0|1,0,1]=4 3458 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [1,1,0,0,0,0|1,0,1]=4 3459 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,1,0,0,0,0|0,1,1]=4 3460 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,1,0,0,0,0|0,1,1]=4 3461 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|1,0,0]=3 3462 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|1,0,0]=3 3463 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|1,0,0]=3 3464 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|1,0,0]=3 3465 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [1,1,0,0,0,0|2,0,0]=4 3466 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [1,1,0,0,0,0|2,0,0]=4 3467 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|1,0,0]=3 3468 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|2,0,0]=4 3469 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 3470 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 3471 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 3472 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 3473 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|2,0,0]=4 3474 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|2,0,0]=4 3475 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|2,0,0]=4 3476 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|2,0,0]=4 3477 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|2,0,0]=4 3478 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|2,0,0]=4 3479 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|2,0,0]=4 3480 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|2,0,0]=4 3481 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|2,0,0]=4 3482 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|2,0,0]=4 3483 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,1,0,0,0,0|2,0,0]=4 3484 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 3485 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 3486 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|2,0,0]=4 3487 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [1,1,0,0,0,0|1,0,1]=4 3488 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|1,0,0]=3 3489 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|1,0,0]=3 3490 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|1,0,0]=3 3491 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|0,1,0]=3 3492 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|0,0,0]=2 3493 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|0,0,0]=2 3494 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|0,0,0]=2 3495 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|0,0,0]=2 3496 B8R0.25 CCS(=O)(=O)CCNC 2230a_100000751051_200000210301 [1,1,0,0,0,0|2,0,0]=4 3497 B8R0.25 CCS(=O)(=O)CCNC 2230a_106832991635_100000756660 [1,1,0,0,0,0|2,0,0]=4 3498 B8R0.25 CCS(=O)(=O)CCNC 34a_100000751051_200000210301 [1,1,0,0,0,0|2,0,0]=4 3499 B8R0.25 CCS(=O)(=O)CCNC 34a_100102657272_100000756660 [1,1,0,0,0,0|2,0,0]=4 3500 B8R0.25 CCS(=O)(=O)CCNC 7a_106832991635_100000756660 [1,1,0,0,0,0|2,0,0]=4 3501 B8R0.25 CCS(=O)(=O)CCN[13CH3] 2230a_100000751051_200025704644 [1,1,0,0,0,0|2,0,0]=4 3502 B8R0.25 CCS(=O)(=O)CCN[13CH3] 34a_100000751051_200025704644 [1,1,0,0,0,0|2,0,0]=4 3503 B8R0.25 CCS(=O)(=O)CCOC 34a_100138415774_100000756660 [1,1,0,0,0,0|1,1,0]=4 3504 B8R0.25 CCS(=O)(=O)CCOC 34a_200011216379_200000210301 [1,1,0,0,0,0|1,1,0]=4 3505 B8R0.25 CCS(=O)(=O)CCOC 7a_200011216379_200000210301 [1,1,0,0,0,0|1,1,0]=4 3506 B8R0.25 CCS(=O)(=O)CCO[13CH3] 34a_200011216379_200025704644 [1,1,0,0,0,0|1,1,0]=4 3507 B8R0.25 CCS(=O)(=O)CCO[13CH3] 7a_200011216379_200025704644 [1,1,0,0,0,0|1,1,0]=4 3508 B8R0.25 CCS(=O)(=O)CCSC 62a_100000756660_200000210301 [1,1,0,0,0,0|1,0,0]=3 3509 B8R0.25 CCS(=O)(=O)CCSC 62a_200000210301_100000756660 [1,1,0,0,0,0|1,0,0]=3 3510 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_100000756660_200025704644 [1,1,0,0,0,0|1,0,0]=3 3511 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_200025704644_100000756660 [1,1,0,0,0,0|1,0,0]=3 3512 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,1,0,0,0,0|1,0,1]=4 3513 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [1,1,0,0,0,0|1,0,1]=4 3514 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [1,1,0,0,0,0|1,0,1]=4 3515 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [1,1,0,0,0,0|1,0,1]=4 3516 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [1,1,0,0,0,0|1,0,1]=4 3517 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [1,1,0,0,0,0|2,0,0]=4 3518 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [1,1,0,0,0,0|1,1,0]=4 3519 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [1,1,0,0,0,0|1,1,0]=4 3520 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [1,1,0,0,0,0|1,1,0]=4 3521 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [1,1,0,0,0,0|2,0,0]=4 3522 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [1,1,0,0,0,0|1,0,0]=3 3523 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [1,1,0,0,0,0|1,0,0]=3 3524 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [1,1,0,0,0,0|0,0,0]=2 3525 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [1,1,0,0,0,0|0,0,0]=2 3526 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [1,1,0,0,0,0|1,1,0]=4 3527 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [1,1,0,0,0,0|1,0,1]=4 3528 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [1,1,0,0,0,0|1,0,1]=4 3529 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [1,1,0,0,0,0|1,0,1]=4 3530 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [1,1,0,0,0,0|1,0,1]=4 3531 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [1,1,0,0,0,0|1,0,1]=4 3532 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|1,0,1]=4 3533 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [1,1,0,0,0,0|1,0,0]=3 3534 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [1,1,0,0,0,0|1,0,0]=3 3535 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [1,1,0,0,0,0|1,0,0]=3 3536 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [1,1,0,0,0,0|2,0,0]=4 3537 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [1,1,0,0,0,0|2,0,0]=4 3538 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [1,1,0,0,0,0|2,0,0]=4 3539 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [1,1,0,0,0,0|2,0,0]=4 3540 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [1,1,0,0,0,0|1,0,0]=3 3541 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [1,1,0,0,0,0|1,0,1]=4 3542 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [1,1,0,0,0,0|1,0,0]=3 3543 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [1,1,0,0,0,0|1,0,0]=3 3544 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [1,1,0,0,0,0|1,0,0]=3 3545 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [1,1,0,0,0,0|1,0,0]=3 3546 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [1,1,0,0,0,0|1,0,1]=4 3547 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [1,1,0,0,0,0|1,0,1]=4 3548 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [1,1,0,0,0,0|1,0,1]=4 3549 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [1,1,0,0,0,0|1,0,1]=4 3550 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [1,1,0,0,0,0|1,0,0]=3 3551 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [1,1,0,0,0,0|1,0,0]=3 3552 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [1,1,0,0,0,0|1,0,0]=3 3553 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [1,1,0,0,0,0|2,0,0]=4 3554 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [1,1,0,0,0,0|2,0,0]=4 3555 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [1,1,0,0,0,0|2,0,0]=4 3556 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [1,1,0,0,0,0|2,0,0]=4 3557 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [1,1,0,0,0,0|2,0,0]=4 3558 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [1,1,0,0,0,0|2,0,0]=4 3559 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [1,1,0,0,0,0|2,0,0]=4 3560 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [1,1,0,0,0,0|2,0,0]=4 3561 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [1,1,0,0,0,0|2,0,0]=4 3562 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [1,1,0,0,0,0|1,0,0]=3 3563 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [1,1,0,0,0,0|1,0,1]=4 3564 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [1,1,0,0,0,0|1,0,1]=4 3565 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [1,1,0,0,0,0|1,0,1]=4 3566 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [1,1,0,0,0,0|2,0,0]=4 3567 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [1,1,0,0,0,0|2,0,0]=4 3568 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [1,1,0,0,0,0|2,0,0]=4 3569 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [1,1,0,0,0,0|2,0,0]=4 3570 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [1,1,0,0,0,0|2,0,0]=4 3571 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,1,0,0,0,0|0,0,1]=3 3572 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,1,0,0,0,0|0,0,1]=3 3573 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,1,0,0,0,0|0,0,1]=3 3574 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [1,1,0,0,0,0|1,0,0]=3 3575 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [1,1,0,0,0,0|1,0,0]=3 3576 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [1,1,0,0,0,0|1,0,0]=3 3577 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [1,1,0,0,0,0|1,0,0]=3 3578 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [1,1,0,0,0,0|1,0,1]=4 3579 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [1,1,0,0,0,0|1,0,1]=4 3580 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [1,1,0,0,0,0|1,0,1]=4 3581 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [1,1,0,0,0,0|2,0,0]=4 3582 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [1,1,0,0,0,0|2,0,0]=4 3583 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [1,1,0,0,0,0|2,0,0]=4 3584 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [1,1,0,0,0,0|2,0,0]=4 3585 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [1,1,0,0,0,0|1,0,0]=3 3586 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [1,1,0,0,0,0|1,0,0]=3 3587 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [1,1,0,0,0,0|1,0,0]=3 3588 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [1,1,0,0,0,0|2,0,0]=4 3589 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [1,1,0,0,0,0|2,0,0]=4 3590 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [1,1,0,0,0,0|1,1,0]=4 3591 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [1,1,0,0,0,0|1,1,0]=4 3592 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [1,1,0,0,0,0|1,1,0]=4 3593 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [1,1,0,0,0,0|1,1,0]=4 3594 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [1,1,0,0,0,0|1,1,0]=4 3595 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [1,1,0,0,0,0|1,1,0]=4 3596 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [1,1,0,0,0,0|1,1,0]=4 3597 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [1,1,0,0,0,0|0,1,0]=3 3598 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [1,1,0,0,0,0|1,0,0]=3 3599 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [1,1,0,0,0,0|1,0,0]=3 3600 B8R0.5 CSCC(=O)CC(F)F 1458a_100000184570_100011934356 [1,1,0,0,0,0|2,0,0]=4 3601 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [1,1,0,0,0,0|1,0,1]=4 3602 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [1,1,0,0,0,0|1,0,0]=3 3603 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [1,1,0,0,0,0|1,0,0]=3 3604 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [1,1,0,0,0,0|1,0,0]=3 3605 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [1,1,0,0,0,0|1,0,0]=3 3606 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [1,1,0,0,0,0|1,0,0]=3 3607 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [1,1,0,0,0,0|1,0,0]=3 3608 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [1,1,0,0,0,0|0,0,0]=2 3609 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [1,1,0,0,0,0|0,0,0]=2 3610 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [1,1,0,0,0,0|2,0,0]=4 3611 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [1,1,0,0,0,0|1,1,0]=4 3612 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [1,1,0,0,0,0|1,0,1]=4 3613 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [1,1,0,0,0,0|1,0,1]=4 3614 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [1,1,0,0,0,0|1,0,1]=4 3615 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [1,1,0,0,0,0|1,0,1]=4 3616 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [1,1,0,0,0,0|1,0,1]=4 3617 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [1,1,0,0,0,0|1,0,1]=4 3618 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [1,1,0,0,0,0|1,0,1]=4 3619 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [1,1,0,0,0,0|1,0,1]=4 3620 B8R0.30 CCCC(C)(C)OCC 7a_100000748436_100000210202 [1,1,0,0,0,0|1,0,1]=4 3621 B8R0.30 CCCS(=O)(=O)NCC 270084a_100015525214_100000211391 [1,1,0,0,0,0|2,0,0]=4 3622 B8R0.30 CCCS(=O)(=O)NCC 274078a_100015525214_100000211391 [1,1,0,0,0,0|2,0,0]=4 3623 B8R0.30 CCCS(=O)(=O)NCC 40a_100015525214_100000054278 [1,1,0,0,0,0|2,0,0]=4 3624 B8R0.30 CCO[Si](C)(C)CSC 62a_200000065227_200000210301 [1,1,0,0,0,0|1,1,0]=4 3625 B8R0.30 CCO[Si](C)(C)CSC 62a_200000210301_200000065227 [1,1,0,0,0,0|1,1,0]=4 3626 B8R0.30 CCO[Si](C)(C)CS[13CH3] 62a_200000065227_200025704644 [1,1,0,0,0,0|1,1,0]=4 3627 B8R0.30 CCO[Si](C)(C)CS[13CH3] 62a_200025704644_200000065227 [1,1,0,0,0,0|1,1,0]=4 3628 B10R0.6 C#CCNCC(=O)OC(C)C 34a_100000212058_100011215430 [0,2,0,0,0,0|1,0,1]=4 3629 B10R0.6 C#CCOCC(=O)OC(C)C 34a_100000210247_100011215430 [0,2,0,0,0,0|1,0,1]=4 3630 B10R0.6 C#CCSCC(=O)OC(C)C 62a_100000038162_100011215430 [0,2,0,0,0,0|1,0,1]=4 3631 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,2,0,0,0,0|1,0,1]=4 3632 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [0,2,0,0,0,0|1,0,1]=4 3633 B10R0.6 C=CCNCC(=O)OC(C)C 2230a_100020586998_100011215430 [0,2,0,0,0,0|1,0,1]=4 3634 B10R0.6 C=CCOCC(=O)OC(C)C 34a_200000210373_100011215430 [0,2,0,0,0,0|1,0,1]=4 3635 B10R0.6 C=CCSCC(=O)OC(C)C 62a_100000210623_100011215430 [0,2,0,0,0,0|1,0,1]=4 3636 B10R0.6 C=CCSCC(=O)OC(C)C 62a_100011215430_100000210623 [0,2,0,0,0,0|1,0,1]=4 3637 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [0,2,0,0,0,0|1,0,1]=4 3638 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [0,2,0,0,0,0|1,0,1]=4 3639 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,2,0,0,0,0|2,0,0]=4 3640 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,2,0,0,0,0|2,0,0]=4 3641 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,2,0,0,0,0|2,0,0]=4 3642 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [0,2,0,0,0,0|2,0,0]=4 3643 B10R0.6 CC(C)NC(=O)CCSCF 62a_100000737564_100015361967 [0,2,0,0,0,0|1,0,0]=3 3644 B10R0.6 CC(C)NC(=O)CCSCF 62a_100015361967_100000737564 [0,2,0,0,0,0|1,0,0]=3 3645 B10R0.6 CC(C)OC(=O)CCSCF 62a_100000760027_100015361967 [0,2,0,0,0,0|0,0,0]=2 3646 B10R0.6 CC(C)OC(=O)CCSCF 62a_100015361967_100000760027 [0,2,0,0,0,0|0,0,0]=2 3647 B10R0.6 CC(C)OC(=O)CNCCF 34a_100000724931_100011215430 [0,2,0,0,0,0|2,0,0]=4 3648 B10R0.6 CC(C)OC(=O)CNCCO 2230a_100016997473_100011215430 [0,2,0,0,0,0|2,0,0]=4 3649 B10R0.6 CC(C)OC(=O)CNCCO 34a_100016990907_100011215430 [0,2,0,0,0,0|2,0,0]=4 3650 B10R0.6 CC(C)OC(=O)COCCBr 34a_100000211926_100011215430 [0,2,0,0,0,0|2,0,0]=4 3651 B10R0.6 CC(C)OC(=O)COCCN 34a_100000210304_100011215430 [0,2,0,0,0,0|2,0,0]=4 3652 B10R0.6 CC(C)OC(=O)CSCC#N 62a_100011215382_100011215430 [0,2,0,0,0,0|2,0,0]=4 3653 B10R0.6 CC(C)OC(=O)CSCC#N 62a_100011215430_100011215382 [0,2,0,0,0,0|2,0,0]=4 3654 B10R0.6 CC(C)OC(=O)CSCC=O 62a_100011215430_200015260668 [0,2,0,0,0,0|2,0,0]=4 3655 B10R0.6 CC(C)OC(=O)CSCC=O 62a_200015260668_100011215430 [0,2,0,0,0,0|2,0,0]=4 3656 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011215430_100011217306 [0,2,0,0,0,0|2,0,0]=4 3657 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011217306_100011215430 [0,2,0,0,0,0|2,0,0]=4 3658 B10R0.6 CC(C)OC(=O)CSCCO 62a_100000211926_100011215430 [0,2,0,0,0,0|2,0,0]=4 3659 B10R0.6 CC(C)OC(=O)CSCCO 62a_100011215430_100000211926 [0,2,0,0,0,0|2,0,0]=4 3660 B10R0.6 CC(C)OC(=O)OCSCF 62a_100000003507_100015361967 [0,2,0,0,0,0|1,0,0]=3 3661 B10R0.6 CC(C)OC(=O)OCSCF 62a_100015361967_100000003507 [0,2,0,0,0,0|1,0,0]=3 3662 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,2,0,0,0,0|2,0,0]=4 3663 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,2,0,0,0,0|2,0,0]=4 3664 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,2,0,0,0,0|2,0,0]=4 3665 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,2,0,0,0,0|2,0,0]=4 3666 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,2,0,0,0,0|2,0,0]=4 3667 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 3668 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 3669 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 3670 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 3671 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,2,0,0,0,0|2,0,0]=4 3672 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,2,0,0,0,0|2,0,0]=4 3673 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,2,0,0,0,0|2,0,0]=4 3674 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,2,0,0,0,0|2,0,0]=4 3675 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,2,0,0,0,0|2,0,0]=4 3676 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [0,2,0,0,0,0|2,0,0]=4 3677 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [0,2,0,0,0,0|2,0,0]=4 3678 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [0,2,0,0,0,0|2,0,0]=4 3679 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [0,2,0,0,0,0|2,0,0]=4 3680 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [0,2,0,0,0,0|2,0,0]=4 3681 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [0,2,0,0,0,0|2,0,0]=4 3682 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,2,0,0,0,0|2,0,0]=4 3683 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,2,0,0,0,0|2,0,0]=4 3684 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [0,2,0,0,0,0|2,0,0]=4 3685 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [0,2,0,0,0,0|2,0,0]=4 3686 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [0,2,0,0,0,0|2,0,0]=4 3687 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [0,2,0,0,0,0|2,0,0]=4 3688 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [0,2,0,0,0,0|2,0,0]=4 3689 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,2,0,0,0,0|1,0,0]=3 3690 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [0,2,0,0,0,0|2,0,0]=4 3691 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,2,0,0,0,0|2,0,0]=4 3692 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [0,2,0,0,0,0|2,0,0]=4 3693 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [0,2,0,0,0,0|2,0,0]=4 3694 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [0,2,0,0,0,0|2,0,0]=4 3695 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [0,2,0,0,0,0|2,0,0]=4 3696 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [0,2,0,0,0,0|2,0,0]=4 3697 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [0,2,0,0,0,0|2,0,0]=4 3698 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,2,0,0,0,0|1,0,0]=3 3699 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,2,0,0,0,0|1,0,0]=3 3700 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [0,2,0,0,0,0|2,0,0]=4 3701 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,2,0,0,0,0|1,0,0]=3 3702 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,2,0,0,0,0|1,1,0]=4 3703 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,2,0,0,0,0|1,1,0]=4 3704 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,2,0,0,0,0|1,1,0]=4 3705 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,2,0,0,0,0|1,1,0]=4 3706 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [0,2,0,0,0,0|1,1,0]=4 3707 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [0,2,0,0,0,0|1,1,0]=4 3708 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [0,2,0,0,0,0|1,1,0]=4 3709 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [0,2,0,0,0,0|1,1,0]=4 3710 B10R0.6 CCSCCC(=O)C=C(C)C 1458a_100000211388_100000757381 [0,2,0,0,0,0|1,0,1]=4 3711 B10R0.6 CCSCCC(=O)C=C(C)Cl 1458a_200042562850_100000757381 [0,2,0,0,0,0|1,0,1]=4 3712 B10R0.6 CCSCCC(=O)C=C(C)I 1458a_100025716642_100000757381 [0,2,0,0,0,0|1,0,1]=4 3713 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [0,2,0,0,0,0|1,0,0]=3 3714 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [0,2,0,0,0,0|1,0,0]=3 3715 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,2,0,0,0,0|1,0,0]=3 3716 B10R0.6 CCSCCC(=O)CC(F)F 1458a_100000230768_100011934356 [0,2,0,0,0,0|2,0,0]=4 3717 B10R0.6 CCSCCC(=O)CN(C)C 1458a_100000750896_100000757381 [0,2,0,0,0,0|2,0,0]=4 3718 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,2,0,0,0,0|1,0,0]=3 3719 B10R0.6 CCSCCC(=O)C[S+](C)C 1458a_200159257847_100000757381 [0,2,0,0,0,0|2,0,0]=4 3720 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [0,2,0,0,0,0|1,0,0]=3 3721 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [0,2,0,0,0,0|1,0,0]=3 3722 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [0,2,0,0,0,0|1,0,0]=3 3723 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [0,2,0,0,0,0|1,0,0]=3 3724 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [0,2,0,0,0,0|1,0,0]=3 3725 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [0,2,0,0,0,0|1,0,0]=3 3726 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,2,0,0,0,0|0,0,0]=2 3727 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,2,0,0,0,0|0,0,0]=2 3728 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [0,2,0,0,0,0|1,0,0]=3 3729 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [0,2,0,0,0,0|1,0,0]=3 3730 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,2,0,0,0,0|1,1,0]=4 3731 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,2,0,0,0,0|1,1,0]=4 3732 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,2,0,0,0,0|1,1,0]=4 3733 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,2,0,0,0,0|1,1,0]=4 3734 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [0,2,0,0,0,0|1,1,0]=4 3735 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [0,2,0,0,0,0|1,1,0]=4 3736 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [0,2,0,0,0,0|1,1,0]=4 3737 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [0,2,0,0,0,0|1,1,0]=4 3738 B10R0.6 COCCNC(=O)CC(C)C 1626a_100000209980_100000210554 [0,2,0,0,0,0|1,1,0]=4 3739 B10R0.6 COCCNC(=O)CC(C)C 240690a_100000209980_100000210554 [0,2,0,0,0,0|1,1,0]=4 3740 B10R0.6 COCCNC(=O)CC(C)C 527a_100000209980_100000210554 [0,2,0,0,0,0|1,1,0]=4 3741 B10R0.6 COCCNC(=O)C[C@@H](C)O 240690a_100000209980_100011933948 [0,2,0,0,0,0|1,1,0]=4 3742 B10R0.6 COCCNC(=O)NC(C)C 2708a_100138425928_100000209980 [0,2,0,0,0,0|1,1,0]=4 3743 B10R0.6 COCCNC(=O)NC(C)C 273464a_100138425928_100000209980 [0,2,0,0,0,0|1,1,0]=4 3744 B10R0.6 COCNCC(=O)NC(C)C 2230a_100000168517_100000766300 [0,2,0,0,0,0|1,1,0]=4 3745 B10R0.6 COCSCC(=O)NC(C)C 62a_100000183996_100000766300 [0,2,0,0,0,0|1,1,0]=4 3746 B10R0.6 COCSCC(=O)NC(C)C 62a_100000766300_100000183996 [0,2,0,0,0,0|1,1,0]=4 3747 B10R0.6 COCSCC(=O)OC(C)C 62a_100000766300_100011215430 [0,2,0,0,0,0|0,1,0]=3 3748 B10R0.6 COCSCC(=O)OC(C)C 62a_100011215430_100000766300 [0,2,0,0,0,0|0,1,0]=3 3749 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,2,0,0,0,0|1,0,0]=3 3750 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,2,0,0,0,0|1,0,0]=3 3751 B10R0.6 CSCCCC(=O)CC(F)F 1458a_100000173376_100011934356 [0,2,0,0,0,0|2,0,0]=4 3752 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [0,2,0,0,0,0|1,0,0]=3 3753 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [0,2,0,0,0,0|1,0,0]=3 3754 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [0,2,0,0,0,0|1,0,0]=3 3755 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [0,2,0,0,0,0|1,0,0]=3 3756 B10R0.6 CSCCNC(=O)C=C(C)C 11a_100020590264_100000211388 [0,2,0,0,0,0|1,0,1]=4 3757 B10R0.6 CSCCNC(=O)C=C(C)C 1626a_100020590264_100000211388 [0,2,0,0,0,0|1,0,1]=4 3758 B10R0.6 CSCCNC(=O)C=C(C)C 240690a_100020590264_100000211388 [0,2,0,0,0,0|1,0,1]=4 3759 B10R0.6 CSCCNC(=O)C=C(C)Cl 11a_100020590264_200042562850 [0,2,0,0,0,0|1,0,1]=4 3760 B10R0.6 CSCCNC(=O)C=C(C)Cl 1626a_100020590264_200042562850 [0,2,0,0,0,0|1,0,1]=4 3761 B10R0.6 CSCCNC(=O)C=C(C)Cl 240690a_100020590264_200042562850 [0,2,0,0,0,0|1,0,1]=4 3762 B10R0.6 CSCCNC(=O)C=C(C)I 11a_100020590264_100025716642 [0,2,0,0,0,0|1,0,1]=4 3763 B10R0.6 CSCCNC(=O)C=C(C)I 1626a_100020590264_100025716642 [0,2,0,0,0,0|1,0,1]=4 3764 B10R0.6 CSCCNC(=O)CC(C)C 11a_100020590264_100000210554 [0,2,0,0,0,0|1,0,0]=3 3765 B10R0.6 CSCCNC(=O)CC(C)C 1626a_100020590264_100000210554 [0,2,0,0,0,0|1,0,0]=3 3766 B10R0.6 CSCCNC(=O)CC(C)C 240690a_100020590264_100000210554 [0,2,0,0,0,0|1,0,0]=3 3767 B10R0.6 CSCCNC(=O)CC(C)C 527a_100020590264_100000210554 [0,2,0,0,0,0|1,0,0]=3 3768 B10R0.6 CSCCNC(=O)CN(C)C 11a_100020590264_100000750896 [0,2,0,0,0,0|2,0,0]=4 3769 B10R0.6 CSCCNC(=O)CN(C)C 240690a_100020590264_100000750896 [0,2,0,0,0,0|2,0,0]=4 3770 B10R0.6 CSCCNC(=O)CN(C)C 527a_100020590264_100000750896 [0,2,0,0,0,0|2,0,0]=4 3771 B10R0.6 CSCCNC(=O)C[C@@H](C)O 240690a_100020590264_100011933948 [0,2,0,0,0,0|1,0,0]=3 3772 B10R0.6 CSCCNC(=O)C[S+](C)C 11a_100020590264_200159257847 [0,2,0,0,0,0|2,0,0]=4 3773 B10R0.6 CSCCNC(=O)C[S+](C)C 1626a_100020590264_200159257847 [0,2,0,0,0,0|2,0,0]=4 3774 B10R0.6 CSCCNC(=O)C[S+](C)C 240690a_100020590264_200159257847 [0,2,0,0,0,0|2,0,0]=4 3775 B10R0.6 CSCCNC(=O)C[S+](C)C 527a_100020590264_200159257847 [0,2,0,0,0,0|2,0,0]=4 3776 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100020590264_100138425928 [0,2,0,0,0,0|1,0,0]=3 3777 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100138425928_100020590264 [0,2,0,0,0,0|1,0,0]=3 3778 B10R0.6 CSCCNC(=O)NC(C)C 273464a_100138425928_100020590264 [0,2,0,0,0,0|1,0,0]=3 3779 B10R0.6 CSCCNC(=O)NC(C)C 512a_100020590264_100138425928 [0,2,0,0,0,0|1,0,0]=3 3780 B10R0.6 CSCCNC(=O)NC(C)C 512a_100138425928_100020590264 [0,2,0,0,0,0|1,0,0]=3 3781 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [0,2,0,0,0,0|1,0,1]=4 3782 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [0,2,0,0,0,0|1,0,1]=4 3783 B10R0.6 CSCNCC(=O)NC(C)C 2230a_100000168517_100011218213 [0,2,0,0,0,0|1,0,0]=3 3784 B10R0.6 CSCSCC(=O)NC(=O)C 62a_100011218213_100000183797 [0,2,0,0,0,0|1,0,1]=4 3785 B10R0.6 CSCSCC(=O)NC(C)C 62a_100000183996_100011218213 [0,2,0,0,0,0|1,0,0]=3 3786 B10R0.6 CSCSCC(=O)NC(C)C 62a_100011218213_100000183996 [0,2,0,0,0,0|1,0,0]=3 3787 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011215430_100011218213 [0,2,0,0,0,0|0,0,0]=2 3788 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011218213_100011215430 [0,2,0,0,0,0|0,0,0]=2 3789 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,2,0,0,0,0|2,0,0]=4 3790 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,2,0,0,0,0|2,0,0]=4 3791 B10R0.18 C#CC(C)NC(=O)CCCC 11a_100000707721_100000210183 [0,2,0,0,0,0|2,0,0]=4 3792 B10R0.18 C#CC(C)NC(=O)CCCC 1626a_100000707721_100000210183 [0,2,0,0,0,0|2,0,0]=4 3793 B10R0.18 C#CC(C)NC(=O)CCCC 240690a_100000707721_100000210183 [0,2,0,0,0,0|2,0,0]=4 3794 B10R0.18 C#CC(C)NC(=O)CCCC 527a_100000707721_100000210183 [0,2,0,0,0,0|2,0,0]=4 3795 B10R0.18 C#CC(C)NC(=O)CCOC 11a_100000707721_100000749529 [0,2,0,0,0,0|1,1,0]=4 3796 B10R0.18 C#CC(C)NC(=O)CCOC 1626a_100000707721_100000749529 [0,2,0,0,0,0|1,1,0]=4 3797 B10R0.18 C#CC(C)NC(=O)CCOC 240690a_100000707721_100000749529 [0,2,0,0,0,0|1,1,0]=4 3798 B10R0.18 C#CC(C)NC(=O)CCOC 527a_100000707721_100000749529 [0,2,0,0,0,0|1,1,0]=4 3799 B10R0.18 C#CC(C)NC(=O)CCSC 11a_100000707721_100000174002 [0,2,0,0,0,0|1,0,0]=3 3800 B10R0.18 C#CC(C)NC(=O)CCSC 1626a_100000707721_100000174002 [0,2,0,0,0,0|1,0,0]=3 3801 B10R0.18 C#CC(C)NC(=O)CCSC 240690a_100000707721_100000174002 [0,2,0,0,0,0|1,0,0]=3 3802 B10R0.18 C#CC(C)NC(=O)CCSC 527a_100000707721_100000174002 [0,2,0,0,0,0|1,0,0]=3 3803 B10R0.18 C=CC(C)CC(=O)CCCC 1458a_100011934298_100000210211 [0,2,0,0,0,0|2,0,0]=4 3804 B10R0.18 C=CC(C)CC(=O)CCOC 1458a_100011934298_100000233755 [0,2,0,0,0,0|1,1,0]=4 3805 B10R0.18 C=CC(C)CC(=O)CCSC 1458a_100011934298_100000751147 [0,2,0,0,0,0|1,0,0]=3 3806 B10R0.18 CCC#CC(=O)CC(C)CC 1458a_100011827653_100000748023 [0,2,0,0,0,0|2,0,0]=4 3807 B10R0.18 CCC#CC(=O)CC(O)CC 1458a_100011827653_100011218378 [0,2,0,0,0,0|2,0,0]=4 3808 B10R0.18 CCC#CC(=O)C[C@@H](C)CC 1458a_100011827653_100009816398 [0,2,0,0,0,0|2,0,0]=4 3809 B10R0.18 CCC(=CC(=O)CCOC)C 1458a_100020758463_100000233755 [0,2,0,0,0,0|1,1,0]=4 3810 B10R0.18 CCC(=CC(=O)CCSC)C 1458a_100020758463_100000751147 [0,2,0,0,0,0|1,0,0]=3 3811 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [0,2,0,0,0,0|1,1,0]=4 3812 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [0,2,0,0,0,0|1,0,0]=3 3813 B10R0.18 CCC(C)CC(=O)CCCF 1458a_100000708755_100011934791 [0,2,0,0,0,0|2,0,0]=4 3814 B10R0.18 CCC(C)CC(=O)CCCO 1458a_100000708755_100011215043 [0,2,0,0,0,0|2,0,0]=4 3815 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000708755_100000233755 [0,2,0,0,0,0|1,1,0]=4 3816 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000749529_100000748023 [0,2,0,0,0,0|1,1,0]=4 3817 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000174002_100000748023 [0,2,0,0,0,0|1,0,0]=3 3818 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000708755_100000751147 [0,2,0,0,0,0|1,0,0]=3 3819 B10R0.18 CCC(C)CC(=O)NCCF 11a_100000724931_100000708755 [0,2,0,0,0,0|2,0,0]=4 3820 B10R0.18 CCC(C)CC(=O)NCCF 1626a_100000724931_100000708755 [0,2,0,0,0,0|2,0,0]=4 3821 B10R0.18 CCC(C)CC(=O)NCCF 240690a_100000724931_100000708755 [0,2,0,0,0,0|2,0,0]=4 3822 B10R0.18 CCC(C)CC(=O)NCCF 527a_100000724931_100000708755 [0,2,0,0,0,0|2,0,0]=4 3823 B10R0.18 CCC(C)CC(=O)NCCO 240690a_100000210304_100000708755 [0,2,0,0,0,0|2,0,0]=4 3824 B10R0.18 CCC(C)CC(=O)NCCO 527a_100000210304_100000708755 [0,2,0,0,0,0|2,0,0]=4 3825 B10R0.18 CCC(C)NC(=O)CCOC 11a_100000209981_100000749529 [0,2,0,0,0,0|1,1,0]=4 3826 B10R0.18 CCC(C)NC(=O)CCOC 1626a_100000209981_100000749529 [0,2,0,0,0,0|1,1,0]=4 3827 B10R0.18 CCC(C)NC(=O)CCOC 240690a_100000209981_100000749529 [0,2,0,0,0,0|1,1,0]=4 3828 B10R0.18 CCC(C)NC(=O)CCOC 527a_100000209981_100000749529 [0,2,0,0,0,0|1,1,0]=4 3829 B10R0.18 CCC(C)NC(=O)CCSC 11a_100000209981_100000174002 [0,2,0,0,0,0|1,0,0]=3 3830 B10R0.18 CCC(C)NC(=O)CCSC 1626a_100000209981_100000174002 [0,2,0,0,0,0|1,0,0]=3 3831 B10R0.18 CCC(C)NC(=O)CCSC 240690a_100000209981_100000174002 [0,2,0,0,0,0|1,0,0]=3 3832 B10R0.18 CCC(C)NC(=O)CCSC 527a_100000209981_100000174002 [0,2,0,0,0,0|1,0,0]=3 3833 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [0,2,0,0,0,0|2,0,0]=4 3834 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [0,2,0,0,0,0|2,0,0]=4 3835 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [0,2,0,0,0,0|1,1,0]=4 3836 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [0,2,0,0,0,0|1,1,0]=4 3837 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [0,2,0,0,0,0|1,0,0]=3 3838 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [0,2,0,0,0,0|1,0,0]=3 3839 B10R0.18 CCC(O)CC(=O)NCCF 1626a_100000724931_100011667805 [0,2,0,0,0,0|2,0,0]=4 3840 B10R0.18 CCC(O)CC(=O)NCCF 240690a_100000724931_100011667805 [0,2,0,0,0,0|2,0,0]=4 3841 B10R0.18 CCC(O)CC(=O)NCCO 240690a_100000210304_100011667805 [0,2,0,0,0,0|2,0,0]=4 3842 B10R0.18 CCC=CC(=O)CC(C)CC 1458a_100000212282_100000748023 [0,2,0,0,0,0|2,0,0]=4 3843 B10R0.18 CCC=CC(=O)CC(O)CC 1458a_100000212282_100011218378 [0,2,0,0,0,0|2,0,0]=4 3844 B10R0.18 CCC=CC(=O)C[C@@H](C)CC 1458a_100000212282_100009816398 [0,2,0,0,0,0|2,0,0]=4 3845 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [0,2,0,0,0,0|2,0,0]=4 3846 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,2,0,0,0,0|2,0,0]=4 3847 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [0,2,0,0,0,0|2,0,0]=4 3848 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [0,2,0,0,0,0|2,0,0]=4 3849 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,2,0,0,0,0|2,0,0]=4 3850 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,2,0,0,0,0|2,0,0]=4 3851 B10R0.18 CCCCC(=O)CN(C)CC 1458a_100116209913_100000210211 [0,2,0,0,0,0|2,0,0]=4 3852 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [0,2,0,0,0,0|2,0,0]=4 3853 B10R0.18 CCCCC(=O)C[C@@H](C)CO 1458a_100000210183_100000059175 [0,2,0,0,0,0|2,0,0]=4 3854 B10R0.18 CCCCC(=O)NC(C)C#N 11a_100000737613_100000210183 [0,2,0,0,0,0|2,0,0]=4 3855 B10R0.18 CCCCC(=O)NC(C)C#N 1626a_100000737613_100000210183 [0,2,0,0,0,0|2,0,0]=4 3856 B10R0.18 CCCCC(=O)NC(C)C#N 527a_100000737613_100000210183 [0,2,0,0,0,0|2,0,0]=4 3857 B10R0.18 CCCCC(=O)NC(C)CC 11a_100000209981_100000210183 [0,2,0,0,0,0|2,0,0]=4 3858 B10R0.18 CCCCC(=O)NC(C)CC 1626a_100000209981_100000210183 [0,2,0,0,0,0|2,0,0]=4 3859 B10R0.18 CCCCC(=O)NC(C)CC 240690a_100000209981_100000210183 [0,2,0,0,0,0|2,0,0]=4 3860 B10R0.18 CCCCC(=O)NC(C)CC 527a_100000209981_100000210183 [0,2,0,0,0,0|2,0,0]=4 3861 B10R0.18 CCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210183 [0,2,0,0,0,0|2,0,0]=4 3862 B10R0.18 CCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210183 [0,2,0,0,0,0|2,0,0]=4 3863 B10R0.18 CCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210183 [0,2,0,0,0,0|2,0,0]=4 3864 B10R0.18 CCCCC(=O)N[C@H](C)CF 527a_100102880703_100000210183 [0,2,0,0,0,0|2,0,0]=4 3865 B10R0.18 CCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210183 [0,2,0,0,0,0|2,0,0]=4 3866 B10R0.18 CCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210183 [0,2,0,0,0,0|2,0,0]=4 3867 B10R0.18 CCCNC(=O)CC(C)CC 11a_100020643023_100000708755 [0,2,0,0,0,0|2,0,0]=4 3868 B10R0.18 CCCNC(=O)CC(C)CC 1626a_100020643023_100000708755 [0,2,0,0,0,0|2,0,0]=4 3869 B10R0.18 CCCNC(=O)CC(C)CC 240690a_100020643023_100000708755 [0,2,0,0,0,0|2,0,0]=4 3870 B10R0.18 CCCNC(=O)CC(C)CC 527a_100020643023_100000708755 [0,2,0,0,0,0|2,0,0]=4 3871 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [0,2,0,0,0,0|2,0,0]=4 3872 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [0,2,0,0,0,0|2,0,0]=4 3873 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,2,0,0,0,0|1,0,1]=4 3874 B10R0.18 CCCOC(=O)CN(C)CC 2230a_100000225621_200011215008 [0,2,0,0,0,0|2,0,0]=4 3875 B10R0.18 CCCOC(=O)CN(C)CC 269982a_100000225621_200011215008 [0,2,0,0,0,0|2,0,0]=4 3876 B10R0.18 CCN(C)CC(=O)CCOC 1458a_100116209913_100000233755 [0,2,0,0,0,0|1,1,0]=4 3877 B10R0.18 CCN(C)CC(=O)CCSC 1458a_100116209913_100000751147 [0,2,0,0,0,0|1,0,0]=3 3878 B10R0.18 CCNNC(=O)CC(C)CC 22a_100000756455_100000708755 [0,2,0,0,0,0|2,0,0]=4 3879 B10R0.18 CCNNC(=O)CC(O)CC 22a_100000756455_100011667805 [0,2,0,0,0,0|2,0,0]=4 3880 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,2,0,0,0,0|1,0,1]=4 3881 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [0,2,0,0,0,0|1,0,1]=4 3882 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,2,0,0,0,0|0,1,1]=4 3883 B10R0.18 CCOCC(=O)CC(C)CC 1458a_100000211967_100000748023 [0,2,0,0,0,0|1,0,0]=3 3884 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [0,2,0,0,0,0|1,0,0]=3 3885 B10R0.18 CCOCC(=O)C[C@@H](C)CC 1458a_100000211967_100009816398 [0,2,0,0,0,0|1,0,0]=3 3886 B10R0.18 CCOCC(=O)C[C@@H](C)CO 1458a_100000211967_100000059175 [0,2,0,0,0,0|2,0,0]=4 3887 B10R0.18 CCOCC(=O)NC(C)CC 11a_100000209981_100000211967 [0,2,0,0,0,0|2,0,0]=4 3888 B10R0.18 CCOCC(=O)NC(C)CC 1626a_100000209981_100000211967 [0,2,0,0,0,0|2,0,0]=4 3889 B10R0.18 CCOCC(=O)NC(C)CC 240690a_100000209981_100000211967 [0,2,0,0,0,0|2,0,0]=4 3890 B10R0.18 CCOCC(=O)NC(C)CC 34a_100121572206_100000182745 [0,2,0,0,0,0|2,0,0]=4 3891 B10R0.18 CCOCC(=O)NC(C)CC 527a_100000209981_100000211967 [0,2,0,0,0,0|2,0,0]=4 3892 B10R0.18 CCSCC(=O)CC(C)CC 1458a_100000230394_100000748023 [0,2,0,0,0,0|1,1,0]=4 3893 B10R0.18 CCSCC(=O)CC(O)CC 1458a_100000230394_100011218378 [0,2,0,0,0,0|1,1,0]=4 3894 B10R0.18 CCSCC(=O)C[C@@H](C)CC 1458a_100000230394_100009816398 [0,2,0,0,0,0|1,1,0]=4 3895 B10R0.18 CC[C@H](C)CC(=O)CCOC 1458a_100000749529_100009816398 [0,2,0,0,0,0|1,1,0]=4 3896 B10R0.18 CC[C@H](C)CC(=O)CCSC 1458a_100000174002_100009816398 [0,2,0,0,0,0|1,0,0]=3 3897 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [0,2,0,0,0,0|1,0,1]=4 3898 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [0,2,0,0,0,0|1,0,1]=4 3899 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [0,2,0,0,0,0|1,0,1]=4 3900 B10R0.18 COCCC(=O)C[C@@H](C)CO 1458a_100000749529_100000059175 [0,2,0,0,0,0|1,1,0]=4 3901 B10R0.18 COCCC(=O)NC(C)C#N 11a_100000737613_100000749529 [0,2,0,0,0,0|1,1,0]=4 3902 B10R0.18 COCCC(=O)NC(C)C#N 1626a_100000737613_100000749529 [0,2,0,0,0,0|1,1,0]=4 3903 B10R0.18 COCCC(=O)NC(C)C#N 527a_100000737613_100000749529 [0,2,0,0,0,0|1,1,0]=4 3904 B10R0.18 COCCC(=O)N[C@H](C)CF 11a_100102880703_100000749529 [0,2,0,0,0,0|1,1,0]=4 3905 B10R0.18 COCCC(=O)N[C@H](C)CF 1626a_100102880703_100000749529 [0,2,0,0,0,0|1,1,0]=4 3906 B10R0.18 COCCC(=O)N[C@H](C)CF 240690a_100102880703_100000749529 [0,2,0,0,0,0|1,1,0]=4 3907 B10R0.18 COCCC(=O)N[C@H](C)CF 527a_100102880703_100000749529 [0,2,0,0,0,0|1,1,0]=4 3908 B10R0.18 COCCC(=O)N[C@H](C)CO 240690a_100000737577_100000749529 [0,2,0,0,0,0|1,1,0]=4 3909 B10R0.18 COCCC(=O)N[C@H](C)CO 527a_100000737577_100000749529 [0,2,0,0,0,0|1,1,0]=4 3910 B10R0.18 CSCCC(=O)C[C@@H](C)CO 1458a_100000174002_100000059175 [0,2,0,0,0,0|1,0,0]=3 3911 B10R0.18 CSCCC(=O)NC(C)C#N 11a_100000737613_100000174002 [0,2,0,0,0,0|1,0,0]=3 3912 B10R0.18 CSCCC(=O)NC(C)C#N 1626a_100000737613_100000174002 [0,2,0,0,0,0|1,0,0]=3 3913 B10R0.18 CSCCC(=O)NC(C)C#N 527a_100000737613_100000174002 [0,2,0,0,0,0|1,0,0]=3 3914 B10R0.18 CSCCC(=O)N[C@H](C)CF 11a_100102880703_100000174002 [0,2,0,0,0,0|1,0,0]=3 3915 B10R0.18 CSCCC(=O)N[C@H](C)CF 1626a_100102880703_100000174002 [0,2,0,0,0,0|1,0,0]=3 3916 B10R0.18 CSCCC(=O)N[C@H](C)CF 240690a_100102880703_100000174002 [0,2,0,0,0,0|1,0,0]=3 3917 B10R0.18 CSCCC(=O)N[C@H](C)CF 527a_100102880703_100000174002 [0,2,0,0,0,0|1,0,0]=3 3918 B10R0.18 CSCCC(=O)N[C@H](C)CO 240690a_100000737577_100000174002 [0,2,0,0,0,0|1,0,0]=3 3919 B10R0.18 CSCCC(=O)N[C@H](C)CO 527a_100000737577_100000174002 [0,2,0,0,0,0|1,0,0]=3 3920 B10R0.28 CC(C)(C)CC(=O)OCS[13CH3] 62a_200010999194_200025704644 [0,2,0,0,0,0|2,0,0]=4 3921 B10R0.28 CC(C)(C)CC(=O)OCS[13CH3] 62a_200025704644_200010999194 [0,2,0,0,0,0|2,0,0]=4 3922 B10R0.28 CC(C)(C)NC(=O)CCS[13CH3] 62a_100011194433_200025704644 [0,2,0,0,0,0|1,0,0]=3 3923 B10R0.28 CC(C)(C)NC(=O)CCS[13CH3] 62a_200025704644_100011194433 [0,2,0,0,0,0|1,0,0]=3 3924 B10R0.28 CC(C)(C)OC(=O)CCO[13CH3] 34a_100011934494_200025704644 [0,2,0,0,0,0|0,1,0]=3 3925 B10R0.28 CC(C)(C)OC(=O)CCO[13CH3] 7a_100011934494_200025704644 [0,2,0,0,0,0|0,1,0]=3 3926 B10R0.28 CC(C)(C)OC(=O)CCS[13CH3] 62a_100009816755_200025704644 [0,2,0,0,0,0|0,0,0]=2 3927 B10R0.28 CC(C)(C)OC(=O)CCS[13CH3] 62a_200025704644_100009816755 [0,2,0,0,0,0|0,0,0]=2 3928 B10R0.28 CCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210211 [0,2,0,0,0,0|2,0,0]=4 3929 B10R0.28 CCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210211 [0,2,0,0,0,0|2,0,0]=4 3930 B10R0.28 CCCCC(=O)NC(C)(C)C 11a_100000715429_100000210183 [0,2,0,0,0,0|2,0,0]=4 3931 B10R0.28 CCCCC(=O)NC(C)(C)C 1626a_100000715429_100000210183 [0,2,0,0,0,0|2,0,0]=4 3932 B10R0.28 CCCCC(=O)NC(C)(C)C 240690a_100000715429_100000210183 [0,2,0,0,0,0|2,0,0]=4 3933 B10R0.28 CCCCC(=O)NC(C)(C)C 527a_100000715429_100000210183 [0,2,0,0,0,0|2,0,0]=4 3934 B10R0.28 CCNCC(=O)OC(C)(C)C 2230a_100015525214_100000183872 [0,2,0,0,0,0|2,0,0]=4 3935 B10R0.28 CCOCC(=O)OC(C)(C)C 34a_100000752683_100000210202 [0,2,0,0,0,0|2,0,0]=4 3936 B10R0.28 CCOCC(=O)OC(C)(C)C 34a_100121572206_100000183872 [0,2,0,0,0,0|2,0,0]=4 3937 B10R0.28 CCSCC(=O)OC(C)(C)C 62a_100000183872_100000210202 [0,2,0,0,0,0|2,0,0]=4 3938 B10R0.28 CCSCC(=O)OC(C)(C)C 62a_100000210202_100000183872 [0,2,0,0,0,0|2,0,0]=4 3939 B10R0.28 CNCCC(=O)NC(C)(C)C 2230a_106832991635_100011194433 [0,2,0,0,0,0|2,0,0]=4 3940 B10R0.28 CNCCC(=O)NC(C)(C)C 7a_106832991635_100011194433 [0,2,0,0,0,0|2,0,0]=4 3941 B10R0.28 CNCCC(=O)OC(C)(C)C 2230a_106832991635_100009816755 [0,2,0,0,0,0|1,0,0]=3 3942 B10R0.28 CNCCC(=O)OC(C)(C)C 34a_100102657272_100009816755 [0,2,0,0,0,0|1,0,0]=3 3943 B10R0.28 CNCCC(=O)OC(C)(C)C 7a_106832991635_100009816755 [0,2,0,0,0,0|1,0,0]=3 3944 B10R0.28 COCCC(=O)CC(C)(C)C 1458a_100000211214_100000233755 [0,2,0,0,0,0|1,1,0]=4 3945 B10R0.28 COCCC(=O)CC(C)(C)O 1458a_100000693243_100000233755 [0,2,0,0,0,0|1,1,0]=4 3946 B10R0.28 COCCC(=O)NC(C)(C)C 11a_100000715429_100000749529 [0,2,0,0,0,0|1,1,0]=4 3947 B10R0.28 COCCC(=O)NC(C)(C)C 1626a_100000715429_100000749529 [0,2,0,0,0,0|1,1,0]=4 3948 B10R0.28 COCCC(=O)NC(C)(C)C 240690a_100000715429_100000749529 [0,2,0,0,0,0|1,1,0]=4 3949 B10R0.28 COCCC(=O)NC(C)(C)C 527a_100000715429_100000749529 [0,2,0,0,0,0|1,1,0]=4 3950 B10R0.28 COCCC(=O)OC(C)(C)C 34a_100011934494_200000210301 [0,2,0,0,0,0|0,1,0]=3 3951 B10R0.28 COCCC(=O)OC(C)(C)C 34a_100138415774_100009816755 [0,2,0,0,0,0|0,1,0]=3 3952 B10R0.28 COCCC(=O)OC(C)(C)C 7a_100011934494_200000210301 [0,2,0,0,0,0|0,1,0]=3 3953 B10R0.28 CSCCC(=O)CC(C)(C)C 1458a_100000211214_100000751147 [0,2,0,0,0,0|1,0,0]=3 3954 B10R0.28 CSCCC(=O)CC(C)(C)O 1458a_100000693243_100000751147 [0,2,0,0,0,0|1,0,0]=3 3955 B10R0.28 CSCCC(=O)CC(F)(F)F 1458a_100000245130_100000751147 [0,2,0,0,0,0|2,0,0]=4 3956 B10R0.28 CSCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000751147 [0,2,0,0,0,0|2,0,0]=4 3957 B10R0.28 CSCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000751147 [0,2,0,0,0,0|2,0,0]=4 3958 B10R0.28 CSCCC(=O)C[Si](C)(C)C 1458a_100000174002_100000233785 [0,2,0,0,0,0|1,1,0]=4 3959 B10R0.28 CSCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000751147 [0,2,0,0,0,0|1,1,0]=4 3960 B10R0.28 CSCCC(=O)NC(C)(C)C 11a_100000715429_100000174002 [0,2,0,0,0,0|1,0,0]=3 3961 B10R0.28 CSCCC(=O)NC(C)(C)C 1626a_100000715429_100000174002 [0,2,0,0,0,0|1,0,0]=3 3962 B10R0.28 CSCCC(=O)NC(C)(C)C 240690a_100000715429_100000174002 [0,2,0,0,0,0|1,0,0]=3 3963 B10R0.28 CSCCC(=O)NC(C)(C)C 527a_100000715429_100000174002 [0,2,0,0,0,0|1,0,0]=3 3964 B10R0.28 CSCCC(=O)NC(C)(C)C 62a_100011194433_200000210301 [0,2,0,0,0,0|1,0,0]=3 3965 B10R0.28 CSCCC(=O)NC(C)(C)C 62a_200000210301_100011194433 [0,2,0,0,0,0|1,0,0]=3 3966 B10R0.28 CSCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000174002 [0,2,0,0,0,0|2,0,0]=4 3967 B10R0.28 CSCCC(=O)OC(C)(C)C 62a_100009816755_200000210301 [0,2,0,0,0,0|0,0,0]=2 3968 B10R0.28 CSCCC(=O)OC(C)(C)C 62a_200000210301_100009816755 [0,2,0,0,0,0|0,0,0]=2 3969 B10R0.28 CSCOC(=O)CC(C)(C)C 62a_200000210301_200010999194 [0,2,0,0,0,0|2,0,0]=4 3970 B10R0.28 CSCOC(=O)CC(C)(C)C 62a_200010999194_200000210301 [0,2,0,0,0,0|2,0,0]=4 3971 B10R0.32 C=C(C)CC(=O)C(C)CSC 1458a_100000753918_100000748629 [0,2,0,0,0,0|1,0,1]=4 3972 B10R0.32 C=C(CN(C)C)C(=O)OCC 269982a_100102631434_100000755967 [0,2,0,0,0,0|1,0,1]=4 3973 B10R0.32 CC(C)OC(=O)[C@@H](N)CO[13CH3] 34a_100121572844_200025704644 [0,2,0,0,0,0|0,1,0]=3 3974 B10R0.32 CCCC(=O)C(C)CC(C)C 1458a_100000211992_100000731052 [0,2,0,0,0,0|2,0,0]=4 3975 B10R0.32 CCCC(=O)C(C)CN(C)C 1458a_200015186601_100000210303 [0,2,0,0,0,0|2,0,0]=4 3976 B10R0.32 CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210303 [0,2,0,0,0,0|2,0,0]=4 3977 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210554_100000766640 [0,2,0,0,0,0|2,0,0]=4 3978 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210906_100000210624 [0,2,0,0,0,0|2,0,0]=4 3979 B10R0.32 CCCC(C)C(=O)CC(C)O 1458a_100000210906_100011218427 [0,2,0,0,0,0|2,0,0]=4 3980 B10R0.32 CCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000766640 [0,2,0,0,0,0|2,0,0]=4 3981 B10R0.32 CCCC(C)C(=O)NC(C)C 11a_100138425928_100000210906 [0,2,0,0,0,0|2,0,0]=4 3982 B10R0.32 CCCC(C)C(=O)NC(C)C 1626a_100138425928_100000210906 [0,2,0,0,0,0|2,0,0]=4 3983 B10R0.32 CCCC(C)C(=O)NC(C)C 240690a_100138425928_100000210906 [0,2,0,0,0,0|2,0,0]=4 3984 B10R0.32 CCCC(C)C(=O)NC(C)C 527a_100138425928_100000210906 [0,2,0,0,0,0|2,0,0]=4 3985 B10R0.32 CCC[C@H](O)C(=O)CC(C)C 1458a_100009822183_100000210624 [0,2,0,0,0,0|2,0,0]=4 3986 B10R0.32 CCC[C@H](O)C(=O)CC(C)O 1458a_100009822183_100011218427 [0,2,0,0,0,0|2,0,0]=4 3987 B10R0.32 CCC[C@H](O)C(=O)NC(C)C 240690a_100138425928_100009822183 [0,2,0,0,0,0|2,0,0]=4 3988 B10R0.32 CCNC(=O)C(C)CN(C)C 240690a_100015525214_200015186601 [0,2,0,0,0,0|2,0,0]=4 3989 B10R0.32 CCNC(=O)[C@@H](O)CC(C)C 240690a_100015525214_100012027011 [0,2,0,0,0,0|2,0,0]=4 3990 B10R0.32 CCOC(=O)C(=O)CN(C)C 269982a_100102631434_100000211299 [0,2,0,0,0,0|1,0,1]=4 3991 B10R0.32 CCOC(=O)C(C)NC(C)C 2230a_100138425928_100011215307 [0,2,0,0,0,0|2,0,0]=4 3992 B10R0.32 CCOC(=O)C(C)NC(C)C 34a_100138425928_100011216346 [0,2,0,0,0,0|2,0,0]=4 3993 B10R0.32 CCOC(=O)C(C)OC(C)C 34a_100000212225_100011216346 [0,2,0,0,0,0|2,0,0]=4 3994 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100000210206_100011216346 [0,2,0,0,0,0|2,0,0]=4 3995 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100011216346_100000210206 [0,2,0,0,0,0|2,0,0]=4 3996 B10R0.32 CCOC(=O)C(F)NC(C)C 2230a_100138425928_100000760018 [0,2,0,0,0,0|2,0,0]=4 3997 B10R0.32 CCOC(=O)C(F)NC(C)C 34a_100138425928_100000760018 [0,2,0,0,0,0|2,0,0]=4 3998 B10R0.32 CCOC(=O)C(F)OC(C)C 34a_100000212225_100000760018 [0,2,0,0,0,0|2,0,0]=4 3999 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000210206_100000760018 [0,2,0,0,0,0|2,0,0]=4 4000 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000760018_100000210206 [0,2,0,0,0,0|2,0,0]=4 4001 B10R0.32 CCOC(=O)[C@@H](C)NC(=O)C 188690a_100016988386_100015343762 [0,2,0,0,0,0|2,0,0]=4 4002 B10R0.32 CCOC(=O)[C@H](C)OC(C)C 7a_100000751109_100000210206 [0,2,0,0,0,0|2,0,0]=4 4003 B10R0.32 CCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210202 [0,2,0,0,0,0|2,0,0]=4 4004 B10R0.32 CCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210202 [0,2,0,0,0,0|2,0,0]=4 4005 B10R0.32 COCC(C)C(=O)CC(C)C 1458a_100000210554_100000765312 [0,2,0,0,0,0|1,1,0]=4 4006 B10R0.32 COCC(C)C(=O)CC(C)C 1458a_100000751857_100000210624 [0,2,0,0,0,0|1,1,0]=4 4007 B10R0.32 COCC(C)C(=O)CC(C)O 1458a_100000751857_100011218427 [0,2,0,0,0,0|1,1,0]=4 4008 B10R0.32 COCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000765312 [0,2,0,0,0,0|1,1,0]=4 4009 B10R0.32 COCC(C)C(=O)NC(C)C 11a_100138425928_100000751857 [0,2,0,0,0,0|1,1,0]=4 4010 B10R0.32 COCC(C)C(=O)NC(C)C 1626a_100138425928_100000751857 [0,2,0,0,0,0|1,1,0]=4 4011 B10R0.32 COCC(C)C(=O)NC(C)C 240690a_100138425928_100000751857 [0,2,0,0,0,0|1,1,0]=4 4012 B10R0.32 COCC(C)C(=O)NC(C)C 527a_100138425928_100000751857 [0,2,0,0,0,0|1,1,0]=4 4013 B10R0.32 COC[C@H](N)C(=O)OC(C)C 34a_100121572844_200000210301 [0,2,0,0,0,0|0,1,0]=3 4014 B10R0.32 CSCC(C)C(=O)CC(C)C 1458a_100000753918_100000210624 [0,2,0,0,0,0|1,0,0]=3 4015 B10R0.32 CSCC(C)C(=O)CC(C)O 1458a_100000753918_100011218427 [0,2,0,0,0,0|1,0,0]=3 4016 B10R0.32 CSCC(C)C(=O)CC(F)F 1458a_100000753918_100011934356 [0,2,0,0,0,0|2,0,0]=4 4017 B10R0.32 CSCC(C)C(=O)NC(C)C 11a_100138425928_100000753918 [0,2,0,0,0,0|1,0,0]=3 4018 B10R0.32 CSCC(C)C(=O)NC(C)C 1626a_100138425928_100000753918 [0,2,0,0,0,0|1,0,0]=3 4019 B10R0.32 CSCC(C)C(=O)NC(C)C 240690a_100138425928_100000753918 [0,2,0,0,0,0|1,0,0]=3 4020 B10R0.32 CSCC(C)C(=O)NC(C)C 527a_100138425928_100000753918 [0,2,0,0,0,0|1,0,0]=3 4021 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_100000067433_200025704644 [0,2,0,0,0,0|1,0,0]=3 4022 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_200025704644_100000067433 [0,2,0,0,0,0|1,0,0]=3 4023 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [0,2,0,0,0,0|1,0,1]=4 4024 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [0,2,0,0,0,0|2,0,0]=4 4025 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [0,2,0,0,0,0|2,0,0]=4 4026 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [0,2,0,0,0,0|2,0,0]=4 4027 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [0,2,0,0,0,0|2,0,0]=4 4028 B10R0.44 CCC(C)CC(=O)NC(C)C 11a_100138425928_100000708755 [0,2,0,0,0,0|2,0,0]=4 4029 B10R0.44 CCC(C)CC(=O)NC(C)C 1626a_100138425928_100000708755 [0,2,0,0,0,0|2,0,0]=4 4030 B10R0.44 CCC(C)CC(=O)NC(C)C 240690a_100138425928_100000708755 [0,2,0,0,0,0|2,0,0]=4 4031 B10R0.44 CCC(C)CC(=O)NC(C)C 527a_100138425928_100000708755 [0,2,0,0,0,0|2,0,0]=4 4032 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [0,2,0,0,0,0|2,0,0]=4 4033 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [0,2,0,0,0,0|2,0,0]=4 4034 B10R0.44 CCC(O)CC(=O)CC(C)O 1458a_100011667805_100011218427 [0,2,0,0,0,0|2,0,0]=4 4035 B10R0.44 CCC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218378 [0,2,0,0,0,0|2,0,0]=4 4036 B10R0.44 CCC(O)CC(=O)NC(C)C 1626a_100138425928_100011667805 [0,2,0,0,0,0|2,0,0]=4 4037 B10R0.44 CCC(O)CC(=O)NC(C)C 240690a_100138425928_100011667805 [0,2,0,0,0,0|2,0,0]=4 4038 B10R0.44 CCN(C)CC(=O)OC(C)C 2230a_100000225621_100011215430 [0,2,0,0,0,0|2,0,0]=4 4039 B10R0.44 CCN(C)CC(=O)OC(C)C 269982a_100000225621_100011215430 [0,2,0,0,0,0|2,0,0]=4 4040 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [0,2,0,0,0,0|2,0,0]=4 4041 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [0,2,0,0,0,0|2,0,0]=4 4042 B10R0.44 CNC(C)OC(=O)OC(C)C 7a_106832991635_100000067433 [0,2,0,0,0,0|2,0,0]=4 4043 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_100000067433_200000210301 [0,2,0,0,0,0|1,0,0]=3 4044 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_200000210301_100000067433 [0,2,0,0,0,0|1,0,0]=3 4045 B10R0.81 CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210211 [0,2,0,0,0,0|2,0,0]=4 4046 B10R0.81 CCCCC(=O)N(C)C(C)C 11a_200000211004_100000210183 [0,2,0,0,0,0|2,0,0]=4 4047 B10R0.81 CCCCC(=O)N(C)C(C)C 1626a_200000211004_100000210183 [0,2,0,0,0,0|2,0,0]=4 4048 B10R0.81 CCCCC(=O)N(C)C(C)C 240690a_200000211004_100000210183 [0,2,0,0,0,0|2,0,0]=4 4049 B10R0.81 CCCCC(=O)N(C)C(C)C 527a_200000211004_100000210183 [0,2,0,0,0,0|2,0,0]=4 4050 B10R0.81 CCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210211 [0,2,0,0,0,0|2,0,0]=4 4051 B10R0.81 COCCC(=O)C(C)C(C)C 1458a_100000755409_100000233755 [0,2,0,0,0,0|1,1,0]=4 4052 B10R0.81 COCCC(=O)N(C)C(C)C 11a_200000211004_100000749529 [0,2,0,0,0,0|1,1,0]=4 4053 B10R0.81 COCCC(=O)N(C)C(C)C 1626a_200000211004_100000749529 [0,2,0,0,0,0|1,1,0]=4 4054 B10R0.81 COCCC(=O)N(C)C(C)C 240690a_200000211004_100000749529 [0,2,0,0,0,0|1,1,0]=4 4055 B10R0.81 COCCC(=O)N(C)C(C)C 527a_200000211004_100000749529 [0,2,0,0,0,0|1,1,0]=4 4056 B10R0.81 COCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000233755 [0,2,0,0,0,0|1,1,0]=4 4057 B10R0.81 CSCCC(=O)C(=O)N(C)C 1458a_100011218876_100000751147 [0,2,0,0,0,0|2,0,0]=4 4058 B10R0.81 CSCCC(=O)C(C)C(=O)C 1458a_100000174002_100000179758 [0,2,0,0,0,0|1,0,1]=4 4059 B10R0.81 CSCCC(=O)C(C)C(C)C 1458a_100000755409_100000751147 [0,2,0,0,0,0|1,0,0]=3 4060 B10R0.81 CSCCC(=O)N(C)C(C)C 11a_200000211004_100000174002 [0,2,0,0,0,0|1,0,0]=3 4061 B10R0.81 CSCCC(=O)N(C)C(C)C 1626a_200000211004_100000174002 [0,2,0,0,0,0|1,0,0]=3 4062 B10R0.81 CSCCC(=O)N(C)C(C)C 240690a_200000211004_100000174002 [0,2,0,0,0,0|1,0,0]=3 4063 B10R0.81 CSCCC(=O)N(C)C(C)C 527a_200000211004_100000174002 [0,2,0,0,0,0|1,0,0]=3 4064 B10R0.81 CSCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000751147 [0,2,0,0,0,0|2,0,0]=4 4065 B10R0.81 CSCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000751147 [0,2,0,0,0,0|1,0,0]=3 4066 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_100000210554_100000730704 [0,2,0,0,0,0|2,0,0]=4 4067 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_200000688413_100000210624 [0,2,0,0,0,0|2,0,0]=4 4068 B10R0.96 C=C(C)CCC(=O)CC(C)O 1458a_200000688413_100011218427 [0,2,0,0,0,0|2,0,0]=4 4069 B10R0.96 C=C(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000730704 [0,2,0,0,0,0|2,0,0]=4 4070 B10R0.96 C=C(C)CCC(=O)NC(C)C 11a_100138425928_200000688413 [0,2,0,0,0,0|2,0,0]=4 4071 B10R0.96 C=C(C)CCC(=O)NC(C)C 1626a_100138425928_200000688413 [0,2,0,0,0,0|2,0,0]=4 4072 B10R0.96 C=C(C)CCC(=O)NC(C)C 240690a_100138425928_200000688413 [0,2,0,0,0,0|2,0,0]=4 4073 B10R0.96 C=C(C)CCC(=O)NC(C)C 527a_100138425928_200000688413 [0,2,0,0,0,0|2,0,0]=4 4074 B10R0.96 CC(=O)CCC(=O)NC(C)C 1458a_100000070787_100000737564 [0,2,0,0,0,0|2,0,0]=4 4075 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,2,0,0,0,0|1,0,0]=3 4076 B10R0.96 CC(=O)COC(=O)OC(C)C 1458a_100000070787_100000003507 [0,2,0,0,0,0|2,0,0]=4 4077 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,2,0,0,0,0|2,0,0]=4 4078 B10R0.96 CC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000210624 [0,2,0,0,0,0|1,0,1]=4 4079 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [0,2,0,0,0,0|2,0,0]=4 4080 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [0,2,0,0,0,0|2,0,0]=4 4081 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,2,0,0,0,0|2,0,0]=4 4082 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,2,0,0,0,0|2,0,0]=4 4083 B10R0.96 CC(C)CCC(=O)NC(C)C 11a_100138425928_100000181311 [0,2,0,0,0,0|2,0,0]=4 4084 B10R0.96 CC(C)CCC(=O)NC(C)C 1626a_100138425928_100000181311 [0,2,0,0,0,0|2,0,0]=4 4085 B10R0.96 CC(C)CCC(=O)NC(C)C 240690a_100138425928_100000181311 [0,2,0,0,0,0|2,0,0]=4 4086 B10R0.96 CC(C)CCC(=O)NC(C)C 527a_100138425928_100000181311 [0,2,0,0,0,0|2,0,0]=4 4087 B10R0.96 CC(C)NC(=O)CCN(C)C 11a_100138425928_100000689311 [0,2,0,0,0,0|2,0,0]=4 4088 B10R0.96 CC(C)NC(=O)CCN(C)C 2230a_100102631434_100000737564 [0,2,0,0,0,0|2,0,0]=4 4089 B10R0.96 CC(C)NC(=O)CCN(C)C 240690a_100138425928_100000689311 [0,2,0,0,0,0|2,0,0]=4 4090 B10R0.96 CC(C)NC(=O)CCN(C)C 269982a_100102631434_100000737564 [0,2,0,0,0,0|2,0,0]=4 4091 B10R0.96 CC(C)NC(=O)CCN(C)C 527a_100138425928_100000689311 [0,2,0,0,0,0|2,0,0]=4 4092 B10R0.96 CC(C)NC(=O)CC[S+](C)C 11a_100138425928_100009452791 [0,2,0,0,0,0|1,0,1]=4 4093 B10R0.96 CC(C)NC(=O)CC[S+](C)C 1626a_100138425928_100009452791 [0,2,0,0,0,0|1,0,1]=4 4094 B10R0.96 CC(C)NC(=O)CC[S+](C)C 240690a_100138425928_100009452791 [0,2,0,0,0,0|1,0,1]=4 4095 B10R0.96 CC(C)NCC(=O)OC(C)C 2230a_100138425928_100011215430 [0,2,0,0,0,0|2,0,0]=4 4096 B10R0.96 CC(C)NCC(=O)OC(C)C 34a_100138425928_100011215430 [0,2,0,0,0,0|2,0,0]=4 4097 B10R0.96 CC(C)OC(=O)CCN(C)C 2230a_100102631434_100000760027 [0,2,0,0,0,0|1,0,0]=3 4098 B10R0.96 CC(C)OC(=O)CCN(C)C 269982a_100102631434_100000760027 [0,2,0,0,0,0|1,0,0]=3 4099 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100000210206_100011215430 [0,2,0,0,0,0|2,0,0]=4 4100 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100011215430_100000210206 [0,2,0,0,0,0|2,0,0]=4 4101 B10R0.96 CC(C)OC(=O)OCN(C)C 269982a_100102631434_100010125566 [0,2,0,0,0,0|2,0,0]=4 4102 B10R0.96 CC(C)OCC(=O)OC(C)C 34a_100000212225_100011215430 [0,2,0,0,0,0|2,0,0]=4 4103 B10R0.96 CC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218427 [0,2,0,0,0,0|1,0,1]=4 4104 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,2,0,0,0,0|2,0,0]=4 4105 B10R0.96 CC(O)CCC(=O)NC(C)C 1626a_100138425928_100000718519 [0,2,0,0,0,0|2,0,0]=4 4106 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,2,0,0,0,0|2,0,0]=4 4107 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,2,0,0,0,0|2,0,0]=4 4108 B10R0.1 C#CCCCCC(=O)NCC 11a_100015525214_100000696528 [0,2,0,0,0,0|2,0,0]=4 4109 B10R0.1 C#CCCCCC(=O)NCC 240690a_100015525214_100000696528 [0,2,0,0,0,0|2,0,0]=4 4110 B10R0.1 C#CCCCCC(=O)NCC 527a_100015525214_100000696528 [0,2,0,0,0,0|2,0,0]=4 4111 B10R0.1 C#CCCNCC(=O)OCC 34a_100000755551_100000188475 [0,2,0,0,0,0|1,0,1]=4 4112 B10R0.1 C#CCCOCC(=O)OCC 34a_100011215631_100000188475 [0,2,0,0,0,0|1,0,1]=4 4113 B10R0.1 C#CCCSCC(=O)OCC 62a_100000188475_100000688953 [0,2,0,0,0,0|1,0,1]=4 4114 B10R0.1 C#CCCSCC(=O)OCC 62a_100000688953_100000188475 [0,2,0,0,0,0|1,0,1]=4 4115 B10R0.1 C#CCNCCC(=O)NCC 34a_100025743525_100000184674 [0,2,0,0,0,0|2,0,0]=4 4116 B10R0.1 C#CCNCCC(=O)OCC 34a_100000212058_100000765890 [0,2,0,0,0,0|1,0,0]=3 4117 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000211992_100010402529 [0,2,0,0,0,0|1,1,0]=4 4118 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000693358_100000210303 [0,2,0,0,0,0|1,1,0]=4 4119 B10R0.1 C#CCOCCC(=O)NCC 11a_100015525214_100000693358 [0,2,0,0,0,0|1,1,0]=4 4120 B10R0.1 C#CCOCCC(=O)NCC 240690a_100015525214_100000693358 [0,2,0,0,0,0|1,1,0]=4 4121 B10R0.1 C#CCOCCC(=O)NCC 527a_100015525214_100000693358 [0,2,0,0,0,0|1,1,0]=4 4122 B10R0.1 C#CCOCCC(=O)OCC 34a_100000210247_100000765890 [0,2,0,0,0,0|0,1,0]=3 4123 B10R0.1 C#CCSCCC(=O)NCC 62a_100000038162_100000737597 [0,2,0,0,0,0|1,0,0]=3 4124 B10R0.1 C#CCSCCC(=O)OCC 62a_100000038162_100000765890 [0,2,0,0,0,0|0,0,0]=2 4125 B10R0.1 C#CCSCOC(=O)CCC 62a_100000038162_100000034017 [0,2,0,0,0,0|2,0,0]=4 4126 B10R0.1 C#CCSCOC(=O)OCC 62a_100000038162_100000075025 [0,2,0,0,0,0|1,0,0]=3 4127 B10R0.1 C/C=C/COCC(=O)NCC 34a_100016270725_100000183381 [0,2,0,0,0,0|2,0,0]=4 4128 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [0,2,0,0,0,0|1,0,0]=3 4129 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100000747444_100102629194 [0,2,0,0,0,0|2,0,0]=4 4130 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100102629194_100000747444 [0,2,0,0,0,0|2,0,0]=4 4131 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100000183381_100102629194 [0,2,0,0,0,0|2,0,0]=4 4132 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100102629194_100000183381 [0,2,0,0,0,0|2,0,0]=4 4133 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [0,2,0,0,0,0|1,0,0]=3 4134 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [0,2,0,0,0,0|1,0,0]=3 4135 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,2,0,0,0,0|2,0,0]=4 4136 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,2,0,0,0,0|2,0,0]=4 4137 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,2,0,0,0,0|2,0,0]=4 4138 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,2,0,0,0,0|2,0,0]=4 4139 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,2,0,0,0,0|2,0,0]=4 4140 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [0,2,0,0,0,0|1,0,1]=4 4141 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [0,2,0,0,0,0|1,0,1]=4 4142 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [0,2,0,0,0,0|1,0,1]=4 4143 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [0,2,0,0,0,0|1,0,1]=4 4144 B10R0.1 C=CCNCCC(=O)NCC 2230a_100020586998_100000737597 [0,2,0,0,0,0|2,0,0]=4 4145 B10R0.1 C=CCNCCC(=O)NCC 34a_100025743525_100015514636 [0,2,0,0,0,0|2,0,0]=4 4146 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [0,2,0,0,0,0|1,0,0]=3 4147 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [0,2,0,0,0,0|1,1,0]=4 4148 B10R0.1 C=CCOCCC(=O)NCC 11a_100015525214_200011217002 [0,2,0,0,0,0|1,1,0]=4 4149 B10R0.1 C=CCOCCC(=O)NCC 240690a_100015525214_200011217002 [0,2,0,0,0,0|1,1,0]=4 4150 B10R0.1 C=CCOCCC(=O)NCC 527a_100015525214_200011217002 [0,2,0,0,0,0|1,1,0]=4 4151 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [0,2,0,0,0,0|0,1,0]=3 4152 B10R0.1 C=CCSCCC(=O)NCC 62a_100000210623_100000737597 [0,2,0,0,0,0|1,0,0]=3 4153 B10R0.1 C=CCSCCC(=O)NCC 62a_100000737597_100000210623 [0,2,0,0,0,0|1,0,0]=3 4154 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [0,2,0,0,0,0|0,0,0]=2 4155 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [0,2,0,0,0,0|0,0,0]=2 4156 B10R0.1 C=CCSCOC(=O)CCC 62a_100000210623_100000034017 [0,2,0,0,0,0|2,0,0]=4 4157 B10R0.1 C=CCSCOC(=O)OCC 62a_100000210623_100000075025 [0,2,0,0,0,0|1,0,0]=3 4158 B10R0.1 C=COC(=O)CNCCSC 2230a_100020590264_100000036128 [0,2,0,0,0,0|0,0,2]=4 4159 B10R0.1 C=COC(=O)COCCSC 34a_100000230434_100000036128 [0,2,0,0,0,0|0,0,2]=4 4160 B10R0.1 C=COC(=O)CSCCSC 62a_100000036128_100000751147 [0,2,0,0,0,0|0,0,2]=4 4161 B10R0.1 C=COC(=O)CSCCSC 62a_100000212216_100000036128 [0,2,0,0,0,0|0,0,2]=4 4162 B10R0.1 CC#CCNCC(=O)CCC 2230a_100000685387_100000747444 [0,2,0,0,0,0|2,0,0]=4 4163 B10R0.1 CC#CCNCC(=O)NCC 2230a_100000685387_100000183381 [0,2,0,0,0,0|2,0,0]=4 4164 B10R0.1 CC#CCNCC(=O)NCC 2230a_100016988866_100000748600 [0,2,0,0,0,0|2,0,0]=4 4165 B10R0.1 CC#CCNCC(=O)NCC 34a_100000685387_100000183381 [0,2,0,0,0,0|2,0,0]=4 4166 B10R0.1 CC#CCNCC(=O)OCC 2230a_100000685387_100000188475 [0,2,0,0,0,0|1,0,0]=3 4167 B10R0.1 CC#CCNCC(=O)OCC 34a_100000685387_100000188475 [0,2,0,0,0,0|1,0,0]=3 4168 B10R0.1 CC#CCOCC(=O)NCC 34a_100000761923_100000183381 [0,2,0,0,0,0|2,0,0]=4 4169 B10R0.1 CC#CCOCC(=O)OCC 34a_100000761923_100000188475 [0,2,0,0,0,0|1,0,0]=3 4170 B10R0.1 CC#CCSCC(=O)CCC 62a_100000747444_100000748600 [0,2,0,0,0,0|2,0,0]=4 4171 B10R0.1 CC#CCSCC(=O)CCC 62a_100000748600_100000747444 [0,2,0,0,0,0|2,0,0]=4 4172 B10R0.1 CC#CCSCC(=O)NCC 62a_100000183381_100000748600 [0,2,0,0,0,0|2,0,0]=4 4173 B10R0.1 CC#CCSCC(=O)NCC 62a_100000748600_100000183381 [0,2,0,0,0,0|2,0,0]=4 4174 B10R0.1 CC#CCSCC(=O)OCC 62a_100000188475_100000748600 [0,2,0,0,0,0|1,0,0]=3 4175 B10R0.1 CC#CCSCC(=O)OCC 62a_100000748600_100000188475 [0,2,0,0,0,0|1,0,0]=3 4176 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,2,0,0,0,0|2,0,0]=4 4177 B10R0.1 CC=CC(=O)NCCCSC 11a_100000749238_100000210699 [0,2,0,0,0,0|1,0,1]=4 4178 B10R0.1 CC=CC(=O)NCCCSC 1626a_100000749238_100000210699 [0,2,0,0,0,0|1,0,1]=4 4179 B10R0.1 CC=CC(=O)NCCCSC 240690a_100000749238_100000210699 [0,2,0,0,0,0|1,0,1]=4 4180 B10R0.1 CC=CC(=O)NCCSCC 11a_100000106463_100000210699 [0,2,0,0,0,0|1,0,1]=4 4181 B10R0.1 CC=CC(=O)NCCSCC 1626a_100000106463_100000210699 [0,2,0,0,0,0|1,0,1]=4 4182 B10R0.1 CC=CC(=O)NCCSCC 240690a_100000106463_100000210699 [0,2,0,0,0,0|1,0,1]=4 4183 B10R0.1 CC=CCNCC(=O)NCC 2230a_100016988866_100000070051 [0,2,0,0,0,0|2,0,0]=4 4184 B10R0.1 CC=CCSCC(=O)CCC 62a_100000070051_100000747444 [0,2,0,0,0,0|2,0,0]=4 4185 B10R0.1 CC=CCSCC(=O)CCC 62a_100000747444_100000070051 [0,2,0,0,0,0|2,0,0]=4 4186 B10R0.1 CC=CCSCC(=O)NCC 62a_100000070051_100000183381 [0,2,0,0,0,0|2,0,0]=4 4187 B10R0.1 CC=CCSCC(=O)NCC 62a_100000183381_100000070051 [0,2,0,0,0,0|2,0,0]=4 4188 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [0,2,0,0,0,0|1,0,0]=3 4189 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [0,2,0,0,0,0|1,0,0]=3 4190 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,2,0,0,0,0|2,0,0]=4 4191 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [0,2,0,0,0,0|2,0,0]=4 4192 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [0,2,0,0,0,0|2,0,0]=4 4193 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [0,2,0,0,0,0|2,0,0]=4 4194 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,2,0,0,0,0|2,0,0]=4 4195 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,2,0,0,0,0|2,0,0]=4 4196 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,2,0,0,0,0|2,0,0]=4 4197 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,2,0,0,0,0|2,0,0]=4 4198 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,2,0,0,0,0|1,1,0]=4 4199 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,2,0,0,0,0|1,1,0]=4 4200 B10R0.1 CCCC(=O)CCOCC#N 1458a_100000211992_200000047693 [0,2,0,0,0,0|1,1,0]=4 4201 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,2,0,0,0,0|1,1,0]=4 4202 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,2,0,0,0,0|1,1,0]=4 4203 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,2,0,0,0,0|2,0,0]=4 4204 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,2,0,0,0,0|1,1,0]=4 4205 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,2,0,0,0,0|1,0,0]=3 4206 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,2,0,0,0,0|1,1,0]=4 4207 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,2,0,0,0,0|1,0,0]=3 4208 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,2,0,0,0,0|2,0,0]=4 4209 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,2,0,0,0,0|2,0,0]=4 4210 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,2,0,0,0,0|2,0,0]=4 4211 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,2,0,0,0,0|2,0,0]=4 4212 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,2,0,0,0,0|1,1,0]=4 4213 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,2,0,0,0,0|1,1,0]=4 4214 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,2,0,0,0,0|1,0,0]=3 4215 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,2,0,0,0,0|1,0,0]=3 4216 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [0,2,0,0,0,0|1,1,0]=4 4217 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [0,2,0,0,0,0|1,1,0]=4 4218 B10R0.1 CCCC(=O)CSCSC#N 62a_100000211825_100000747444 [0,2,0,0,0,0|1,0,1]=4 4219 B10R0.1 CCCC(=O)CSCSC#N 62a_100000747444_100000211825 [0,2,0,0,0,0|1,0,1]=4 4220 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,2,0,0,0,0|2,0,0]=4 4221 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,2,0,0,0,0|2,0,0]=4 4222 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,2,0,0,0,0|1,1,0]=4 4223 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,2,0,0,0,0|1,1,0]=4 4224 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,2,0,0,0,0|1,1,0]=4 4225 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 4226 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 4227 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 4228 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,2,0,0,0,0|1,0,0]=3 4229 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [0,2,0,0,0,0|1,1,0]=4 4230 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [0,2,0,0,0,0|1,1,0]=4 4231 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [0,2,0,0,0,0|1,1,0]=4 4232 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [0,2,0,0,0,0|1,1,0]=4 4233 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,2,0,0,0,0|1,0,0]=3 4234 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,2,0,0,0,0|1,0,0]=3 4235 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,2,0,0,0,0|1,0,0]=3 4236 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,2,0,0,0,0|1,0,0]=3 4237 B10R0.1 CCCC(=O)NNCCOC 22a_100000741390_100000211992 [0,2,0,0,0,0|1,1,0]=4 4238 B10R0.1 CCCC(=O)OCSCC#N 62a_100011215382_100000034017 [0,2,0,0,0,0|2,0,0]=4 4239 B10R0.1 CCCC(=O)OCSCC=O 62a_200015260668_100000034017 [0,2,0,0,0,0|2,0,0]=4 4240 B10R0.1 CCCC(=O)OCSCCF 62a_100011217306_100000034017 [0,2,0,0,0,0|2,0,0]=4 4241 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [0,2,0,0,0,0|2,0,0]=4 4242 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [0,2,0,0,0,0|1,1,0]=4 4243 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [0,2,0,0,0,0|1,0,0]=3 4244 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,2,0,0,0,0|2,0,0]=4 4245 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,2,0,0,0,0|2,0,0]=4 4246 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,2,0,0,0,0|2,0,0]=4 4247 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|2,0,0]=4 4248 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|2,0,0]=4 4249 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,2,0,0,0,0|2,0,0]=4 4250 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,2,0,0,0,0|2,0,0]=4 4251 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,2,0,0,0,0|2,0,0]=4 4252 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,2,0,0,0,0|2,0,0]=4 4253 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,2,0,0,0,0|2,0,0]=4 4254 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,2,0,0,0,0|2,0,0]=4 4255 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,2,0,0,0,0|2,0,0]=4 4256 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 4257 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 4258 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 4259 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 4260 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 4261 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 4262 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,2,0,0,0,0|2,0,0]=4 4263 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,2,0,0,0,0|2,0,0]=4 4264 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,2,0,0,0,0|2,0,0]=4 4265 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,2,0,0,0,0|2,0,0]=4 4266 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,2,0,0,0,0|2,0,0]=4 4267 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,2,0,0,0,0|1,0,0]=3 4268 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,2,0,0,0,0|1,0,0]=3 4269 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [0,2,0,0,0,0|2,0,0]=4 4270 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [0,2,0,0,0,0|2,0,0]=4 4271 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [0,2,0,0,0,0|2,0,0]=4 4272 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [0,2,0,0,0,0|2,0,0]=4 4273 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,2,0,0,0,0|2,0,0]=4 4274 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,2,0,0,0,0|2,0,0]=4 4275 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,2,0,0,0,0|2,0,0]=4 4276 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,2,0,0,0,0|2,0,0]=4 4277 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,2,0,0,0,0|2,0,0]=4 4278 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,2,0,0,0,0|2,0,0]=4 4279 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,2,0,0,0,0|2,0,0]=4 4280 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,2,0,0,0,0|2,0,0]=4 4281 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,2,0,0,0,0|1,0,0]=3 4282 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,2,0,0,0,0|1,0,0]=3 4283 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,2,0,0,0,0|2,0,0]=4 4284 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,2,0,0,0,0|2,0,0]=4 4285 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,2,0,0,0,0|2,0,0]=4 4286 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,2,0,0,0,0|2,0,0]=4 4287 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,2,0,0,0,0|2,0,0]=4 4288 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,2,0,0,0,0|2,0,0]=4 4289 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,2,0,0,0,0|2,0,0]=4 4290 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,2,0,0,0,0|2,0,0]=4 4291 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,2,0,0,0,0|1,0,0]=3 4292 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,2,0,0,0,0|1,0,0]=3 4293 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,2,0,0,0,0|2,0,0]=4 4294 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [0,2,0,0,0,0|1,0,1]=4 4295 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,2,0,0,0,0|1,1,0]=4 4296 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,2,0,0,0,0|0,1,0]=3 4297 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,2,0,0,0,0|2,0,0]=4 4298 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,2,0,0,0,0|1,0,0]=3 4299 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,2,0,0,0,0|1,0,0]=3 4300 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,2,0,0,0,0|0,0,0]=2 4301 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,2,0,0,0,0|0,0,0]=2 4302 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,2,0,0,0,0|2,0,0]=4 4303 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,2,0,0,0,0|1,0,0]=3 4304 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,2,0,0,0,0|2,0,0]=4 4305 B10R0.1 CCNC(=O)CCNCC=O 34a_100025743525_200009817547 [0,2,0,0,0,0|2,0,0]=4 4306 B10R0.1 CCNC(=O)CCNCCF 34a_100025743525_100011217306 [0,2,0,0,0,0|2,0,0]=4 4307 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [0,2,0,0,0,0|2,0,0]=4 4308 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [0,2,0,0,0,0|2,0,0]=4 4309 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [0,2,0,0,0,0|1,0,0]=3 4310 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [0,2,0,0,0,0|1,1,0]=4 4311 B10R0.1 CCNC(=O)CCSCC#N 62a_100000737597_100011215382 [0,2,0,0,0,0|1,0,0]=3 4312 B10R0.1 CCNC(=O)CCSCC#N 62a_100011215382_100000737597 [0,2,0,0,0,0|1,0,0]=3 4313 B10R0.1 CCNC(=O)CCSCC=O 62a_100000737597_200015260668 [0,2,0,0,0,0|1,0,0]=3 4314 B10R0.1 CCNC(=O)CCSCC=O 62a_200015260668_100000737597 [0,2,0,0,0,0|1,0,0]=3 4315 B10R0.1 CCNC(=O)CCSCCF 62a_100000737597_100011217306 [0,2,0,0,0,0|1,0,0]=3 4316 B10R0.1 CCNC(=O)CCSCCF 62a_100011217306_100000737597 [0,2,0,0,0,0|1,0,0]=3 4317 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [0,2,0,0,0,0|1,0,0]=3 4318 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [0,2,0,0,0,0|1,0,0]=3 4319 B10R0.1 CCNC(=O)CCSCOC 62a_100000737597_100000766300 [0,2,0,0,0,0|1,0,0]=3 4320 B10R0.1 CCNC(=O)CCSCOC 62a_100000766300_100000737597 [0,2,0,0,0,0|1,0,0]=3 4321 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [0,2,0,0,0,0|1,0,0]=3 4322 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [0,2,0,0,0,0|1,0,0]=3 4323 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [0,2,0,0,0,0|2,0,0]=4 4324 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [0,2,0,0,0,0|2,0,0]=4 4325 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [0,2,0,0,0,0|2,0,0]=4 4326 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [0,2,0,0,0,0|2,0,0]=4 4327 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [0,2,0,0,0,0|1,1,0]=4 4328 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [0,2,0,0,0,0|1,1,0]=4 4329 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [0,2,0,0,0,0|1,0,0]=3 4330 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [0,2,0,0,0,0|1,0,0]=3 4331 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [0,2,0,0,0,0|2,0,0]=4 4332 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [0,2,0,0,0,0|2,0,0]=4 4333 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [0,2,0,0,0,0|2,0,0]=4 4334 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [0,2,0,0,0,0|2,0,0]=4 4335 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [0,2,0,0,0,0|1,1,0]=4 4336 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [0,2,0,0,0,0|1,1,0]=4 4337 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [0,2,0,0,0,0|1,1,0]=4 4338 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [0,2,0,0,0,0|1,1,0]=4 4339 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [0,2,0,0,0,0|1,0,0]=3 4340 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [0,2,0,0,0,0|1,0,0]=3 4341 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [0,2,0,0,0,0|2,0,0]=4 4342 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [0,2,0,0,0,0|2,0,0]=4 4343 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [0,2,0,0,0,0|2,0,0]=4 4344 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [0,2,0,0,0,0|2,0,0]=4 4345 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [0,2,0,0,0,0|1,1,0]=4 4346 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [0,2,0,0,0,0|1,1,0]=4 4347 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [0,2,0,0,0,0|1,0,0]=3 4348 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [0,2,0,0,0,0|1,0,0]=3 4349 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [0,2,0,0,0,0|1,1,0]=4 4350 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [0,2,0,0,0,0|1,1,0]=4 4351 B10R0.1 CCNC(=O)CSCSC#N 62a_100000183381_100000211825 [0,2,0,0,0,0|1,0,1]=4 4352 B10R0.1 CCNC(=O)CSCSC#N 62a_100000211825_100000183381 [0,2,0,0,0,0|1,0,1]=4 4353 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,2,0,0,0,0|2,0,0]=4 4354 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,2,0,0,0,0|2,0,0]=4 4355 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,2,0,0,0,0|2,0,0]=4 4356 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,2,0,0,0,0|2,0,0]=4 4357 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,2,0,0,0,0|2,0,0]=4 4358 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,2,0,0,0,0|2,0,0]=4 4359 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [0,2,0,0,0,0|1,1,0]=4 4360 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [0,2,0,0,0,0|1,1,0]=4 4361 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [0,2,0,0,0,0|1,1,0]=4 4362 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [0,2,0,0,0,0|1,1,0]=4 4363 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [0,2,0,0,0,0|1,1,0]=4 4364 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [0,2,0,0,0,0|1,0,0]=3 4365 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [0,2,0,0,0,0|1,0,0]=3 4366 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [0,2,0,0,0,0|1,0,0]=3 4367 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [0,2,0,0,0,0|1,0,0]=3 4368 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [0,2,0,0,0,0|1,0,0]=3 4369 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [0,2,0,0,0,0|1,0,0]=3 4370 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [0,2,0,0,0,0|1,1,0]=4 4371 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [0,2,0,0,0,0|1,1,0]=4 4372 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [0,2,0,0,0,0|1,1,0]=4 4373 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [0,2,0,0,0,0|1,1,0]=4 4374 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [0,2,0,0,0,0|1,1,0]=4 4375 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [0,2,0,0,0,0|1,1,0]=4 4376 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [0,2,0,0,0,0|1,0,0]=3 4377 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [0,2,0,0,0,0|1,0,0]=3 4378 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [0,2,0,0,0,0|1,0,0]=3 4379 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [0,2,0,0,0,0|1,0,0]=3 4380 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [0,2,0,0,0,0|1,0,0]=3 4381 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [0,2,0,0,0,0|1,0,0]=3 4382 B10R0.1 CCNC(=O)NNCCOC 273464a_100015525214_100000741390 [0,2,0,0,0,0|1,1,0]=4 4383 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [0,2,0,0,0,0|1,0,1]=4 4384 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,2,0,0,0,0|1,0,0]=3 4385 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [0,2,0,0,0,0|0,0,1]=3 4386 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [0,2,0,0,0,0|0,0,1]=3 4387 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100015361967_100016267167 [0,2,0,0,0,0|0,0,1]=3 4388 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100016267167_100015361967 [0,2,0,0,0,0|0,0,1]=3 4389 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,2,0,0,0,0|1,0,0]=3 4390 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,2,0,0,0,0|1,0,0]=3 4391 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,2,0,0,0,0|1,0,0]=3 4392 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|0,1,0]=3 4393 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,2,0,0,0,0|0,0,0]=2 4394 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,2,0,0,0,0|0,0,0]=2 4395 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,2,0,0,0,0|0,0,0]=2 4396 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,2,0,0,0,0|0,0,0]=2 4397 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,2,0,0,0,0|0,1,0]=3 4398 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,2,0,0,0,0|0,0,0]=2 4399 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,2,0,0,0,0|0,0,0]=2 4400 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,2,0,0,0,0|0,0,0]=2 4401 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,2,0,0,0,0|0,0,0]=2 4402 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,2,0,0,0,0|1,0,0]=3 4403 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,2,0,0,0,0|1,0,0]=3 4404 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,2,0,0,0,0|1,0,0]=3 4405 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,2,0,0,0,0|0,1,0]=3 4406 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,2,0,0,0,0|0,1,0]=3 4407 B10R0.1 CCOC(=O)CCSCC#N 62a_100000765890_100011215382 [0,2,0,0,0,0|0,0,0]=2 4408 B10R0.1 CCOC(=O)CCSCC#N 62a_100011215382_100000765890 [0,2,0,0,0,0|0,0,0]=2 4409 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [0,2,0,0,0,0|0,0,0]=2 4410 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [0,2,0,0,0,0|0,0,0]=2 4411 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,2,0,0,0,0|0,0,0]=2 4412 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,2,0,0,0,0|0,0,0]=2 4413 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,2,0,0,0,0|0,0,0]=2 4414 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,2,0,0,0,0|0,0,0]=2 4415 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [0,2,0,0,0,0|0,0,0]=2 4416 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [0,2,0,0,0,0|0,0,0]=2 4417 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,2,0,0,0,0|0,0,0]=2 4418 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,2,0,0,0,0|0,0,0]=2 4419 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,2,0,0,0,0|1,0,0]=3 4420 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,2,0,0,0,0|1,0,0]=3 4421 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,2,0,0,0,0|0,1,0]=3 4422 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,2,0,0,0,0|0,0,0]=2 4423 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,2,0,0,0,0|1,0,0]=3 4424 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,2,0,0,0,0|1,0,0]=3 4425 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,2,0,0,0,0|1,0,0]=3 4426 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,2,0,0,0,0|1,0,0]=3 4427 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,2,0,0,0,0|1,0,0]=3 4428 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,2,0,0,0,0|1,0,0]=3 4429 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,2,0,0,0,0|1,0,0]=3 4430 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,2,0,0,0,0|0,1,0]=3 4431 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,2,0,0,0,0|0,1,0]=3 4432 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [0,2,0,0,0,0|1,1,0]=4 4433 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,2,0,0,0,0|0,0,0]=2 4434 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,2,0,0,0,0|0,0,0]=2 4435 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,2,0,0,0,0|0,0,0]=2 4436 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,2,0,0,0,0|0,0,0]=2 4437 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,2,0,0,0,0|0,0,0]=2 4438 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,2,0,0,0,0|0,0,0]=2 4439 B10R0.1 CCOC(=O)CSCCC#N 62a_100000188475_100011215226 [0,2,0,0,0,0|1,0,1]=4 4440 B10R0.1 CCOC(=O)CSCCC#N 62a_100011215226_100000188475 [0,2,0,0,0,0|1,0,1]=4 4441 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,2,0,0,0,0|1,0,0]=3 4442 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,2,0,0,0,0|1,0,0]=3 4443 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,2,0,0,0,0|1,0,0]=3 4444 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,2,0,0,0,0|1,0,0]=3 4445 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,2,0,0,0,0|0,1,0]=3 4446 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,2,0,0,0,0|0,1,0]=3 4447 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,2,0,0,0,0|0,1,0]=3 4448 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,2,0,0,0,0|0,1,0]=3 4449 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,2,0,0,0,0|0,0,0]=2 4450 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,2,0,0,0,0|0,0,0]=2 4451 B10R0.1 CCOC(=O)CSCSC#N 62a_100000188475_100000211825 [0,2,0,0,0,0|0,0,1]=3 4452 B10R0.1 CCOC(=O)CSCSC#N 62a_100000211825_100000188475 [0,2,0,0,0,0|0,0,1]=3 4453 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [0,2,0,0,0,0|0,1,0]=3 4454 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,2,0,0,0,0|0,0,0]=2 4455 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [0,2,0,0,0,0|0,0,0]=2 4456 B10R0.1 CCOC(=O)NN=CCSC 62a_200000210301_100015372823 [0,2,0,0,0,0|0,0,1]=3 4457 B10R0.1 CCOC(=O)NN=CCS[13CH3] 62a_200025704644_100015372823 [0,2,0,0,0,0|0,0,1]=3 4458 B10R0.1 CCOC(=O)OCSCC#N 62a_100011215382_100000075025 [0,2,0,0,0,0|1,0,0]=3 4459 B10R0.1 CCOC(=O)OCSCC=O 62a_200015260668_100000075025 [0,2,0,0,0,0|1,0,0]=3 4460 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [0,2,0,0,0,0|1,0,0]=3 4461 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [0,2,0,0,0,0|1,0,0]=3 4462 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,2,0,0,0,0|0,1,0]=3 4463 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,2,0,0,0,0|0,0,0]=2 4464 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [0,2,0,0,0,0|0,1,1]=4 4465 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,2,0,0,0,0|0,1,0]=3 4466 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,2,0,0,0,0|0,1,0]=3 4467 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,2,0,0,0,0|0,1,0]=3 4468 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [0,2,0,0,0,0|0,1,0]=3 4469 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [0,2,0,0,0,0|0,1,0]=3 4470 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,2,0,0,0,0|2,0,0]=4 4471 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 4472 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 4473 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 4474 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 4475 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [0,2,0,0,0,0|2,0,0]=4 4476 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [0,2,0,0,0,0|2,0,0]=4 4477 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [0,2,0,0,0,0|2,0,0]=4 4478 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [0,2,0,0,0,0|2,0,0]=4 4479 B10R0.1 CCSCCNC(=O)NNC 273464a_100000106463_100016993582 [0,2,0,0,0,0|2,0,0]=4 4480 B10R0.1 CCSCCNC(=O)NNC 512a_100000106463_100016993582 [0,2,0,0,0,0|2,0,0]=4 4481 B10R0.1 CCSCCNC(=O)NNC 512a_100016993582_100000106463 [0,2,0,0,0,0|2,0,0]=4 4482 B10R0.1 CNNC(=O)NCCCSC 273464a_100000749238_100016993582 [0,2,0,0,0,0|2,0,0]=4 4483 B10R0.1 CNNC(=O)NCCCSC 512a_100000749238_100016993582 [0,2,0,0,0,0|2,0,0]=4 4484 B10R0.1 CNNC(=O)NCCCSC 512a_100016993582_100000749238 [0,2,0,0,0,0|2,0,0]=4 4485 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 4486 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 4487 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 4488 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 4489 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,2,0,0,0,0|2,0,0]=4 4490 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [0,2,0,0,0,0|2,0,0]=4 4491 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [0,2,0,0,0,0|2,0,0]=4 4492 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [0,2,0,0,0,0|2,0,0]=4 4493 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [0,2,0,0,0,0|2,0,0]=4 4494 B10R0.1 CSCCNCC(=O)NCO 2230a_100020590264_100000185155 [0,2,0,0,0,0|2,0,0]=4 4495 B10R0.1 CSCCOCC(=O)NCO 34a_100000230434_100000185155 [0,2,0,0,0,0|2,0,0]=4 4496 B10R0.1 CSCCOCC(=O)NCO 7a_100000230434_100000185155 [0,2,0,0,0,0|2,0,0]=4 4497 B10R0.1 CSCCSCC(=O)NCO 62a_100000185155_100000751147 [0,2,0,0,0,0|2,0,0]=4 4498 B10R0.1 CSCCSCC(=O)NCO 62a_100000212216_100000185155 [0,2,0,0,0,0|2,0,0]=4 4499 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100000243816_100000184674 [0,2,0,0,0,0|1,0,1]=4 4500 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100011220946_100000188475 [0,2,0,0,0,0|1,0,1]=4 4501 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000220588_100000038162 [0,2,0,0,0,0|1,0,1]=4 4502 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000225692_100000188475 [0,2,0,0,0,0|1,0,1]=4 4503 B10R0.2 C#CCN(C)CC(=O)OCC 34a_100000225692_100000188475 [0,2,0,0,0,0|1,0,1]=4 4504 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,2,0,0,0,0|2,0,0]=4 4505 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [0,2,0,0,0,0|2,0,0]=4 4506 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [0,2,0,0,0,0|2,0,0]=4 4507 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [0,2,0,0,0,0|2,0,0]=4 4508 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [0,2,0,0,0,0|1,0,1]=4 4509 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [0,2,0,0,0,0|1,0,1]=4 4510 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000220588_100000210623 [0,2,0,0,0,0|1,0,1]=4 4511 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000225617_100000188475 [0,2,0,0,0,0|1,0,1]=4 4512 B10R0.2 C=CCN(C)CC(=O)OCC 269982a_100000225617_100000188475 [0,2,0,0,0,0|1,0,1]=4 4513 B10R0.2 C=COC(=O)CC(=O)CSC 1458a_100000184570_100000036128 [0,2,0,0,0,0|0,0,2]=4 4514 B10R0.2 CC#CC(=O)CC(=O)OCC 1458a_100000763181_100000188475 [0,2,0,0,0,0|1,0,1]=4 4515 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,2,0,0,0,0|1,0,1]=4 4516 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,2,0,0,0,0|2,0,0]=4 4517 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,2,0,0,0,0|1,1,0]=4 4518 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,2,0,0,0,0|1,0,0]=3 4519 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [0,2,0,0,0,0|2,0,0]=4 4520 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,2,0,0,0,0|1,0,0]=3 4521 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,2,0,0,0,0|1,0,0]=3 4522 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,2,0,0,0,0|2,0,0]=4 4523 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,2,0,0,0,0|2,0,0]=4 4524 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,2,0,0,0,0|1,0,0]=3 4525 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,2,0,0,0,0|2,0,0]=4 4526 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,2,0,0,0,0|2,0,0]=4 4527 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [0,2,0,0,0,0|2,0,0]=4 4528 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [0,2,0,0,0,0|2,0,0]=4 4529 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [0,2,0,0,0,0|2,0,0]=4 4530 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [0,2,0,0,0,0|2,0,0]=4 4531 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [0,2,0,0,0,0|2,0,0]=4 4532 B10R0.2 CCCC(=O)N[C@H](C)COC 11a_100000764878_100000211992 [0,2,0,0,0,0|1,1,0]=4 4533 B10R0.2 CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211992 [0,2,0,0,0,0|1,1,0]=4 4534 B10R0.2 CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211992 [0,2,0,0,0,0|1,1,0]=4 4535 B10R0.2 CCCC(=O)N[C@H](C)COC 527a_100000764878_100000211992 [0,2,0,0,0,0|1,1,0]=4 4536 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,2,0,0,0,0|2,0,0]=4 4537 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,2,0,0,0,0|2,0,0]=4 4538 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,2,0,0,0,0|2,0,0]=4 4539 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [0,2,0,0,0,0|2,0,0]=4 4540 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [0,2,0,0,0,0|2,0,0]=4 4541 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [0,2,0,0,0,0|2,0,0]=4 4542 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [0,2,0,0,0,0|2,0,0]=4 4543 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [0,2,0,0,0,0|2,0,0]=4 4544 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [0,2,0,0,0,0|2,0,0]=4 4545 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [0,2,0,0,0,0|2,0,0]=4 4546 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [0,2,0,0,0,0|2,0,0]=4 4547 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [0,2,0,0,0,0|2,0,0]=4 4548 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,2,0,0,0,0|1,0,0]=3 4549 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,2,0,0,0,0|1,0,0]=3 4550 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,2,0,0,0,0|1,0,0]=3 4551 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,2,0,0,0,0|1,0,0]=3 4552 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,2,0,0,0,0|1,0,0]=3 4553 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,2,0,0,0,0|1,0,0]=3 4554 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,2,0,0,0,0|1,0,0]=3 4555 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [0,2,0,0,0,0|2,0,0]=4 4556 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [0,2,0,0,0,0|2,0,0]=4 4557 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [0,2,0,0,0,0|2,0,0]=4 4558 B10R0.2 CCNC(=O)CC(=O)COC 1458a_100000210968_100000183381 [0,2,0,0,0,0|1,1,0]=4 4559 B10R0.2 CCNC(=O)CC(=O)CSC 1458a_100000184570_100000183381 [0,2,0,0,0,0|1,0,0]=3 4560 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,2,0,0,0,0|1,0,1]=4 4561 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [0,2,0,0,0,0|1,0,0]=3 4562 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [0,2,0,0,0,0|1,0,0]=3 4563 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [0,2,0,0,0,0|1,0,0]=3 4564 B10R0.2 CCNC(=O)CN(C)COC 2230a_100000741943_100000766300 [0,2,0,0,0,0|1,1,0]=4 4565 B10R0.2 CCNC(=O)CN(C)COC 269982a_100000741943_100000766300 [0,2,0,0,0,0|1,1,0]=4 4566 B10R0.2 CCNC(=O)CN(C)CSC 2230a_100000741943_100011218213 [0,2,0,0,0,0|1,0,0]=3 4567 B10R0.2 CCNC(=O)CN(C)CSC 269982a_100000741943_100011218213 [0,2,0,0,0,0|1,0,0]=3 4568 B10R0.2 CCNC(=O)NC(=O)CSC 62a_200000210301_100000183762 [0,2,0,0,0,0|1,0,1]=4 4569 B10R0.2 CCNC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183762 [0,2,0,0,0,0|1,0,1]=4 4570 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100000764878_100015525214 [0,2,0,0,0,0|1,1,0]=4 4571 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100015525214_100000764878 [0,2,0,0,0,0|1,1,0]=4 4572 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100000764878_100015525214 [0,2,0,0,0,0|1,1,0]=4 4573 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100015525214_100000764878 [0,2,0,0,0,0|1,1,0]=4 4574 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100000764878_100015525214 [0,2,0,0,0,0|1,1,0]=4 4575 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100015525214_100000764878 [0,2,0,0,0,0|1,1,0]=4 4576 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,2,0,0,0,0|1,0,0]=3 4577 B10R0.2 CCOC(=O)C=C(C)CNC 2230a_106832991635_100135422193 [0,2,0,0,0,0|1,0,1]=4 4578 B10R0.2 CCOC(=O)C=C(C)CNC 34a_100102657272_100135422193 [0,2,0,0,0,0|1,0,1]=4 4579 B10R0.2 CCOC(=O)C=C(C)CNC 7a_106832991635_100135422193 [0,2,0,0,0,0|1,0,1]=4 4580 B10R0.2 CCOC(=O)C=C(C)COC 34a_100138415774_100135422193 [0,2,0,0,0,0|0,1,1]=4 4581 B10R0.2 CCOC(=O)C=C(C)CSC 62a_100135422193_200000210301 [0,2,0,0,0,0|0,0,1]=3 4582 B10R0.2 CCOC(=O)C=C(C)CSC 62a_200000210301_100135422193 [0,2,0,0,0,0|0,0,1]=3 4583 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_100135422193_200025704644 [0,2,0,0,0,0|0,0,1]=3 4584 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_200025704644_100135422193 [0,2,0,0,0,0|0,0,1]=3 4585 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100000243816_100011214920 [0,2,0,0,0,0|2,0,0]=4 4586 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000188475 [0,2,0,0,0,0|2,0,0]=4 4587 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,2,0,0,0,0|1,0,1]=4 4588 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,2,0,0,0,0|1,0,1]=4 4589 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,2,0,0,0,0|1,0,1]=4 4590 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,2,0,0,0,0|0,1,0]=3 4591 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,2,0,0,0,0|0,0,0]=2 4592 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,2,0,0,0,0|0,0,0]=2 4593 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,2,0,0,0,0|0,0,0]=2 4594 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,2,0,0,0,0|0,0,0]=2 4595 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,2,0,0,0,0|0,0,0]=2 4596 B10R0.2 CCOC(=O)CC(=O)NNC 22a_100016993582_100000243816 [0,2,0,0,0,0|1,0,1]=4 4597 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,2,0,0,0,0|0,0,0]=2 4598 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,2,0,0,0,0|0,0,0]=2 4599 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [0,2,0,0,0,0|0,0,0]=2 4600 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [0,2,0,0,0,0|0,0,0]=2 4601 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000220588_100011215382 [0,2,0,0,0,0|2,0,0]=4 4602 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000748184_100000188475 [0,2,0,0,0,0|2,0,0]=4 4603 B10R0.2 CCOC(=O)CN(C)CC=O 2230a_100000220588_200015260668 [0,2,0,0,0,0|2,0,0]=4 4604 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [0,2,0,0,0,0|2,0,0]=4 4605 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [0,2,0,0,0,0|2,0,0]=4 4606 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [0,2,0,0,0,0|2,0,0]=4 4607 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [0,2,0,0,0,0|2,0,0]=4 4608 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [0,2,0,0,0,0|0,1,0]=3 4609 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,2,0,0,0,0|0,0,0]=2 4610 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,2,0,0,0,0|0,1,0]=3 4611 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [0,2,0,0,0,0|0,1,0]=3 4612 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,2,0,0,0,0|1,0,0]=3 4613 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,2,0,0,0,0|1,0,0]=3 4614 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,2,0,0,0,0|0,1,0]=3 4615 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,2,0,0,0,0|0,0,0]=2 4616 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,2,0,0,0,0|0,0,0]=2 4617 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,2,0,0,0,0|0,0,0]=2 4618 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,2,0,0,0,0|0,0,0]=2 4619 B10R0.2 CCOC(=O)NC(=O)CNC 7a_106832991635_100000010344 [0,2,0,0,0,0|1,0,1]=4 4620 B10R0.2 CCOC(=O)NC(=O)CSC 62a_200000210301_100000010344 [0,2,0,0,0,0|0,0,1]=3 4621 B10R0.2 CCOC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010344 [0,2,0,0,0,0|0,0,1]=3 4622 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [0,2,0,0,0,0|1,0,0]=3 4623 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [0,2,0,0,0,0|1,0,0]=3 4624 B10R0.2 CCOC(=O)OC(C)SCF 62a_100000036008_100015361967 [0,2,0,0,0,0|1,0,0]=3 4625 B10R0.2 CCOC(=O)OC(C)SCF 62a_100015361967_100000036008 [0,2,0,0,0,0|1,0,0]=3 4626 B10R0.2 CCSC(C)CC(=O)CCF 1458a_200011311441_100011217306 [0,2,0,0,0,0|2,0,0]=4 4627 B10R0.2 CCSC(C)CC(=O)CCO 1458a_200011311441_100000211926 [0,2,0,0,0,0|2,0,0]=4 4628 B10R0.2 CCSC(C)CC(=O)NNC 22a_100016993582_200011311441 [0,2,0,0,0,0|2,0,0]=4 4629 B10R0.2 CSCC(=O)CC(=O)NCO 1458a_100000184570_100000185155 [0,2,0,0,0,0|2,0,0]=4 4630 B10R0.3 C=C(C)CNCC(=O)NCC 2230a_100016988866_100000748629 [0,2,0,0,0,0|2,0,0]=4 4631 B10R0.3 C=C(C)COCC(=O)NCC 34a_100000210245_100000183381 [0,2,0,0,0,0|2,0,0]=4 4632 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,2,0,0,0,0|1,0,0]=3 4633 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000747444_100000211660 [0,2,0,0,0,0|2,0,0]=4 4634 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000748629_100000747444 [0,2,0,0,0,0|2,0,0]=4 4635 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000183381_100000211660 [0,2,0,0,0,0|2,0,0]=4 4636 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000748629_100000183381 [0,2,0,0,0,0|2,0,0]=4 4637 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [0,2,0,0,0,0|1,0,0]=3 4638 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [0,2,0,0,0,0|1,0,0]=3 4639 B10R0.3 C=C(F)COCC(=O)OCC 34a_200010262243_100000188475 [0,2,0,0,0,0|1,0,1]=4 4640 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000042424_100000188475 [0,2,0,0,0,0|1,0,1]=4 4641 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000188475_100000042424 [0,2,0,0,0,0|1,0,1]=4 4642 B10R0.3 CC#CC(=O)CCSC(C)C 1458a_100000763181_100000730970 [0,2,0,0,0,0|1,0,1]=4 4643 B10R0.3 CC(=O)SCCC(=O)CCF 1458a_100000048949_100011217306 [0,2,0,0,0,0|2,0,0]=4 4644 B10R0.3 CC(=O)SCCC(=O)CCO 1458a_100000048949_100000211926 [0,2,0,0,0,0|2,0,0]=4 4645 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [0,2,0,0,0,0|2,0,0]=4 4646 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [0,2,0,0,0,0|1,0,1]=4 4647 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,2,0,0,0,0|2,0,0]=4 4648 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,2,0,0,0,0|2,0,0]=4 4649 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,2,0,0,0,0|2,0,0]=4 4650 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,2,0,0,0,0|2,0,0]=4 4651 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,2,0,0,0,0|2,0,0]=4 4652 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,2,0,0,0,0|2,0,0]=4 4653 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,2,0,0,0,0|2,0,0]=4 4654 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,2,0,0,0,0|2,0,0]=4 4655 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,2,0,0,0,0|1,1,0]=4 4656 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,2,0,0,0,0|1,1,0]=4 4657 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,2,0,0,0,0|1,0,0]=3 4658 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,2,0,0,0,0|1,0,0]=3 4659 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,2,0,0,0,0|2,0,0]=4 4660 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,2,0,0,0,0|2,0,0]=4 4661 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,2,0,0,0,0|2,0,0]=4 4662 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,2,0,0,0,0|2,0,0]=4 4663 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,2,0,0,0,0|2,0,0]=4 4664 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,2,0,0,0,0|2,0,0]=4 4665 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,2,0,0,0,0|2,0,0]=4 4666 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,2,0,0,0,0|2,0,0]=4 4667 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,2,0,0,0,0|2,0,0]=4 4668 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,2,0,0,0,0|2,0,0]=4 4669 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,2,0,0,0,0|2,0,0]=4 4670 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,2,0,0,0,0|2,0,0]=4 4671 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,2,0,0,0,0|2,0,0]=4 4672 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,2,0,0,0,0|2,0,0]=4 4673 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,2,0,0,0,0|2,0,0]=4 4674 B10R0.3 CCCC(=O)NCCN(C)C 240690a_100000210585_100000211992 [0,2,0,0,0,0|2,0,0]=4 4675 B10R0.3 CCCC(=O)NCCN(C)C 527a_100000210585_100000211992 [0,2,0,0,0,0|2,0,0]=4 4676 B10R0.3 CCCC(=O)OCSC(C)C 62a_100000210206_100000034017 [0,2,0,0,0,0|2,0,0]=4 4677 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,2,0,0,0,0|2,0,0]=4 4678 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,2,0,0,0,0|2,0,0]=4 4679 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,2,0,0,0,0|2,0,0]=4 4680 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,2,0,0,0,0|2,0,0]=4 4681 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,2,0,0,0,0|2,0,0]=4 4682 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,2,0,0,0,0|2,0,0]=4 4683 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [0,2,0,0,0,0|2,0,0]=4 4684 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [0,2,0,0,0,0|2,0,0]=4 4685 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [0,2,0,0,0,0|2,0,0]=4 4686 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [0,2,0,0,0,0|2,0,0]=4 4687 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [0,2,0,0,0,0|2,0,0]=4 4688 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [0,2,0,0,0,0|2,0,0]=4 4689 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [0,2,0,0,0,0|2,0,0]=4 4690 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [0,2,0,0,0,0|2,0,0]=4 4691 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [0,2,0,0,0,0|2,0,0]=4 4692 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [0,2,0,0,0,0|2,0,0]=4 4693 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [0,2,0,0,0,0|2,0,0]=4 4694 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,2,0,0,0,0|1,0,0]=3 4695 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [0,2,0,0,0,0|1,0,0]=3 4696 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [0,2,0,0,0,0|1,0,0]=3 4697 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [0,2,0,0,0,0|2,0,0]=4 4698 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [0,2,0,0,0,0|2,0,0]=4 4699 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [0,2,0,0,0,0|2,0,0]=4 4700 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [0,2,0,0,0,0|2,0,0]=4 4701 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [0,2,0,0,0,0|2,0,0]=4 4702 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [0,2,0,0,0,0|2,0,0]=4 4703 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [0,2,0,0,0,0|2,0,0]=4 4704 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [0,2,0,0,0,0|2,0,0]=4 4705 B10R0.3 CCNC(=O)COCC(=O)C 34a_100000211253_100000183381 [0,2,0,0,0,0|2,0,0]=4 4706 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [0,2,0,0,0,0|2,0,0]=4 4707 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [0,2,0,0,0,0|2,0,0]=4 4708 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [0,2,0,0,0,0|2,0,0]=4 4709 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [0,2,0,0,0,0|2,0,0]=4 4710 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [0,2,0,0,0,0|2,0,0]=4 4711 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [0,2,0,0,0,0|2,0,0]=4 4712 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [0,2,0,0,0,0|2,0,0]=4 4713 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [0,2,0,0,0,0|2,0,0]=4 4714 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [0,2,0,0,0,0|2,0,0]=4 4715 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [0,2,0,0,0,0|2,0,0]=4 4716 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [0,2,0,0,0,0|2,0,0]=4 4717 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [0,2,0,0,0,0|2,0,0]=4 4718 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [0,2,0,0,0,0|2,0,0]=4 4719 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [0,2,0,0,0,0|2,0,0]=4 4720 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [0,2,0,0,0,0|2,0,0]=4 4721 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [0,2,0,0,0,0|2,0,0]=4 4722 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [0,2,0,0,0,0|2,0,0]=4 4723 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [0,2,0,0,0,0|2,0,0]=4 4724 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [0,2,0,0,0,0|2,0,0]=4 4725 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [0,2,0,0,0,0|2,0,0]=4 4726 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,2,0,0,0,0|2,0,0]=4 4727 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,2,0,0,0,0|2,0,0]=4 4728 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,2,0,0,0,0|2,0,0]=4 4729 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,2,0,0,0,0|2,0,0]=4 4730 B10R0.3 CCNC(=O)NCCN(C)C 2708a_100015525214_100000210585 [0,2,0,0,0,0|2,0,0]=4 4731 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100000210585_100015525214 [0,2,0,0,0,0|2,0,0]=4 4732 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100015525214_100000210585 [0,2,0,0,0,0|2,0,0]=4 4733 B10R0.3 CCNC(=O)NCCN(C)C 512a_100015525214_100000210585 [0,2,0,0,0,0|2,0,0]=4 4734 B10R0.3 CCOC(=O)/C=C/CN(C)C 2230a_100102631434_100016267167 [0,2,0,0,0,0|1,0,1]=4 4735 B10R0.3 CCOC(=O)/C=C/CN(C)C 269982a_100102631434_100016267167 [0,2,0,0,0,0|1,0,1]=4 4736 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,2,0,0,0,0|1,0,0]=3 4737 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,2,0,0,0,0|1,0,0]=3 4738 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,2,0,0,0,0|1,0,0]=3 4739 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,2,0,0,0,0|1,0,0]=3 4740 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,2,0,0,0,0|1,0,0]=3 4741 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,2,0,0,0,0|1,0,0]=3 4742 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,2,0,0,0,0|1,0,0]=3 4743 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,2,0,0,0,0|1,0,0]=3 4744 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,2,0,0,0,0|0,1,0]=3 4745 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,2,0,0,0,0|0,0,0]=2 4746 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,2,0,0,0,0|0,0,0]=2 4747 B10R0.3 CCOC(=O)CNCC(=O)N 2230a_100000711301_100000188475 [0,2,0,0,0,0|2,0,0]=4 4748 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,2,0,0,0,0|2,0,0]=4 4749 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,2,0,0,0,0|1,0,0]=3 4750 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,2,0,0,0,0|1,0,0]=3 4751 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,2,0,0,0,0|1,0,0]=3 4752 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,2,0,0,0,0|1,0,0]=3 4753 B10R0.3 CCOC(=O)CNCC(F)F 34a_100000765723_100000188475 [0,2,0,0,0,0|2,0,0]=4 4754 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,2,0,0,0,0|1,0,0]=3 4755 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,2,0,0,0,0|1,0,0]=3 4756 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,2,0,0,0,0|1,0,0]=3 4757 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,2,0,0,0,0|1,0,0]=3 4758 B10R0.3 CCOC(=O)COCC(F)F 34a_100000743014_100000188475 [0,2,0,0,0,0|2,0,0]=4 4759 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,2,0,0,0,0|1,0,0]=3 4760 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,2,0,0,0,0|1,0,0]=3 4761 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000188475_100000747473 [0,2,0,0,0,0|2,0,0]=4 4762 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000747473_100000188475 [0,2,0,0,0,0|2,0,0]=4 4763 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100000188475_100020667443 [0,2,0,0,0,0|2,0,0]=4 4764 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000188475 [0,2,0,0,0,0|2,0,0]=4 4765 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,2,0,0,0,0|1,0,0]=3 4766 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,2,0,0,0,0|1,0,0]=3 4767 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,2,0,0,0,0|1,0,0]=3 4768 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,2,0,0,0,0|1,0,0]=3 4769 B10R0.3 CCOC(=O)CSCC(F)F 62a_100000188475_100011934356 [0,2,0,0,0,0|2,0,0]=4 4770 B10R0.3 CCOC(=O)CSCC(F)F 62a_100011934356_100000188475 [0,2,0,0,0,0|2,0,0]=4 4771 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,2,0,0,0,0|1,0,0]=3 4772 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,2,0,0,0,0|1,0,0]=3 4773 B10R0.3 CCOC(=O)CSC[N+](=O)[O-] 62a_100000188475_100000761209 [0,2,0,0,0,0|2,0,0]=4 4774 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,2,0,0,0,0|1,0,0]=3 4775 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,2,0,0,0,0|1,0,0]=3 4776 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [0,2,0,0,0,0|1,0,0]=3 4777 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [0,2,0,0,0,0|2,0,0]=4 4778 B10R0.3 CSCC(=O)CCSC(C)C 1458a_100000184570_100000730970 [0,2,0,0,0,0|2,0,0]=4 4779 B10R0.19 C#CCCC(=O)C(C)CSC 1458a_100000753918_100000753159 [0,2,0,0,0,0|1,0,1]=4 4780 B10R0.19 C#CCCC(=O)C(C)OCC 1458a_100000739345_100000753159 [0,2,0,0,0,0|1,0,1]=4 4781 B10R0.19 C#CCN(C)C(=O)CCSC 11a_100000225692_100000174002 [0,2,0,0,0,0|1,0,1]=4 4782 B10R0.19 C#CCN(C)C(=O)CCSC 1626a_100000225692_100000174002 [0,2,0,0,0,0|1,0,1]=4 4783 B10R0.19 C#CCN(C)C(=O)CCSC 527a_100000225692_100000174002 [0,2,0,0,0,0|1,0,1]=4 4784 B10R0.19 C#CCNC(=O)C(C)CSC 11a_100000212058_100000753918 [0,2,0,0,0,0|1,0,1]=4 4785 B10R0.19 C#CCNC(=O)C(C)CSC 1626a_100000212058_100000753918 [0,2,0,0,0,0|1,0,1]=4 4786 B10R0.19 C#CCNC(=O)C(C)CSC 240690a_100000212058_100000753918 [0,2,0,0,0,0|1,0,1]=4 4787 B10R0.19 C#CCNC(=O)C(C)CSC 527a_100000212058_100000753918 [0,2,0,0,0,0|1,0,1]=4 4788 B10R0.19 C#CCNC(C)C(=O)OCC 34a_100000212058_100011216346 [0,2,0,0,0,0|1,0,1]=4 4789 B10R0.19 C#CCNC(F)C(=O)OCC 34a_100000212058_100000760018 [0,2,0,0,0,0|1,0,1]=4 4790 B10R0.19 C#CCOC(C)C(=O)OCC 34a_100000210247_100011216346 [0,2,0,0,0,0|1,0,1]=4 4791 B10R0.19 C#CCOC(F)C(=O)OCC 34a_100000210247_100000760018 [0,2,0,0,0,0|1,0,1]=4 4792 B10R0.19 C#CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000038162 [0,2,0,0,0,0|1,0,1]=4 4793 B10R0.19 C#CCSC(C)C(=O)OCC 62a_100000038162_100011216346 [0,2,0,0,0,0|1,0,1]=4 4794 B10R0.19 C#CCSC(F)C(=O)OCC 62a_100000038162_100000760018 [0,2,0,0,0,0|1,0,1]=4 4795 B10R0.19 C/C=C/CC(=O)C(C)CSC 1458a_100000753918_100102629194 [0,2,0,0,0,0|1,0,1]=4 4796 B10R0.19 C/C=C/CC(=O)C(C)OCC 1458a_100000739345_100102629194 [0,2,0,0,0,0|1,0,1]=4 4797 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [0,2,0,0,0,0|0,1,1]=4 4798 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [0,2,0,0,0,0|0,0,1]=3 4799 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [0,2,0,0,0,0|0,0,1]=3 4800 B10R0.19 C=C(CSCF)C(=O)OCC 62a_100000755967_100015361967 [0,2,0,0,0,0|0,0,1]=3 4801 B10R0.19 C=C(CSCF)C(=O)OCC 62a_100015361967_100000755967 [0,2,0,0,0,0|0,0,1]=3 4802 B10R0.19 C=CCC(C)C(=O)CCSC 1458a_100011216819_100000751147 [0,2,0,0,0,0|1,0,1]=4 4803 B10R0.19 C=CCCC(=O)C(C)CSC 1458a_100000753918_100000754431 [0,2,0,0,0,0|1,0,1]=4 4804 B10R0.19 C=CCCC(=O)C(C)OCC 1458a_100000739345_100000754431 [0,2,0,0,0,0|1,0,1]=4 4805 B10R0.19 C=CCN(C)C(=O)CCSC 11a_100000225617_100000174002 [0,2,0,0,0,0|1,0,1]=4 4806 B10R0.19 C=CCN(C)C(=O)CCSC 1626a_100000225617_100000174002 [0,2,0,0,0,0|1,0,1]=4 4807 B10R0.19 C=CCN(C)C(=O)CCSC 240690a_100000225617_100000174002 [0,2,0,0,0,0|1,0,1]=4 4808 B10R0.19 C=CCN(C)C(=O)CCSC 527a_100000225617_100000174002 [0,2,0,0,0,0|1,0,1]=4 4809 B10R0.19 C=CCNC(=O)C(C)CSC 1626a_100020586998_100000753918 [0,2,0,0,0,0|1,0,1]=4 4810 B10R0.19 C=CCNC(=O)C(C)CSC 240690a_100020586998_100000753918 [0,2,0,0,0,0|1,0,1]=4 4811 B10R0.19 C=CCNC(=O)C(C)CSC 527a_100020586998_100000753918 [0,2,0,0,0,0|1,0,1]=4 4812 B10R0.19 C=CCNC(C)C(=O)OCC 2230a_100020586998_100011215307 [0,2,0,0,0,0|1,0,1]=4 4813 B10R0.19 C=CCNC(F)C(=O)OCC 2230a_100020586998_100000760018 [0,2,0,0,0,0|1,0,1]=4 4814 B10R0.19 C=CCOC(C)C(=O)OCC 34a_200000210373_100011216346 [0,2,0,0,0,0|1,0,1]=4 4815 B10R0.19 C=CCOC(F)C(=O)OCC 34a_200000210373_100000760018 [0,2,0,0,0,0|1,0,1]=4 4816 B10R0.19 C=CCO[C@@H](C)C(=O)OCC 7a_100000751109_100015514636 [0,2,0,0,0,0|1,0,1]=4 4817 B10R0.19 C=CCSC(C)C(=O)OCC 62a_100000210623_100011216346 [0,2,0,0,0,0|1,0,1]=4 4818 B10R0.19 C=CCSC(C)C(=O)OCC 62a_100011216346_100000210623 [0,2,0,0,0,0|1,0,1]=4 4819 B10R0.19 C=CCSC(F)C(=O)OCC 62a_100000210623_100000760018 [0,2,0,0,0,0|1,0,1]=4 4820 B10R0.19 C=CCSC(F)C(=O)OCC 62a_100000760018_100000210623 [0,2,0,0,0,0|1,0,1]=4 4821 B10R0.19 CC#CCC(=O)C(C)CSC 1458a_100000753918_100000748600 [0,2,0,0,0,0|1,0,1]=4 4822 B10R0.19 CC#CCC(=O)C(C)OCC 1458a_100000739345_100000748600 [0,2,0,0,0,0|1,0,1]=4 4823 B10R0.19 CC/C=C(\C)/C(=O)CCCC 1458a_100016988807_100000210211 [0,2,0,0,0,0|2,0,0]=4 4824 B10R0.19 CC/C=C(\C)/C(=O)CCOC 1458a_100016988807_100000233755 [0,2,0,0,0,0|1,1,0]=4 4825 B10R0.19 CC/C=C(\C)/C(=O)CCSC 1458a_100016988807_100000751147 [0,2,0,0,0,0|1,0,0]=3 4826 B10R0.19 CC=CC(=O)N(C)CCSC 11a_100000686725_100000210699 [0,2,0,0,0,0|1,0,1]=4 4827 B10R0.19 CC=CC(=O)N(C)CCSC 1626a_100000686725_100000210699 [0,2,0,0,0,0|1,0,1]=4 4828 B10R0.19 CC=CC(=O)N(C)CCSC 240690a_100000686725_100000210699 [0,2,0,0,0,0|1,0,1]=4 4829 B10R0.19 CC=CCC(=O)C(C)CSC 1458a_100000753918_100000070051 [0,2,0,0,0,0|1,0,1]=4 4830 B10R0.19 CC=CCC(=O)C(C)OCC 1458a_100000739345_100000070051 [0,2,0,0,0,0|1,0,1]=4 4831 B10R0.19 CCC#CC(=O)C(C)CCC 1458a_100011827653_100000766640 [0,2,0,0,0,0|2,0,0]=4 4832 B10R0.19 CCC#CC(=O)C(C)COC 1458a_100011827653_100000765312 [0,2,0,0,0,0|1,1,0]=4 4833 B10R0.19 CCC=CC(=O)C(C)CCC 1458a_100000212282_100000766640 [0,2,0,0,0,0|2,0,0]=4 4834 B10R0.19 CCC=CC(=O)C(C)COC 1458a_100000212282_100000765312 [0,2,0,0,0,0|1,1,0]=4 4835 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [0,2,0,0,0,0|1,0,0]=3 4836 B10R0.19 CCCC(=O)N(C)CCOC 11a_100000743101_100000211992 [0,2,0,0,0,0|1,1,0]=4 4837 B10R0.19 CCCC(=O)N(C)CCOC 1626a_100000743101_100000211992 [0,2,0,0,0,0|1,1,0]=4 4838 B10R0.19 CCCC(=O)N(C)CCOC 240690a_100000743101_100000211992 [0,2,0,0,0,0|1,1,0]=4 4839 B10R0.19 CCCC(=O)N(C)CCOC 527a_100000743101_100000211992 [0,2,0,0,0,0|1,1,0]=4 4840 B10R0.19 CCCC(=O)N(C)CCSC 11a_100000686725_100000211992 [0,2,0,0,0,0|1,0,0]=3 4841 B10R0.19 CCCC(=O)N(C)CCSC 1626a_100000686725_100000211992 [0,2,0,0,0,0|1,0,0]=3 4842 B10R0.19 CCCC(=O)N(C)CCSC 240690a_100000686725_100000211992 [0,2,0,0,0,0|1,0,0]=3 4843 B10R0.19 CCCC(=O)N(C)CCSC 527a_100000686725_100000211992 [0,2,0,0,0,0|1,0,0]=3 4844 B10R0.19 CCCC(C)C(=O)CCCF 1458a_100000210906_100011934791 [0,2,0,0,0,0|2,0,0]=4 4845 B10R0.19 CCCC(C)C(=O)CCCO 1458a_100000210906_100011215043 [0,2,0,0,0,0|2,0,0]=4 4846 B10R0.19 CCCC(C)C(=O)CCOC 1458a_100000210906_100000233755 [0,2,0,0,0,0|1,1,0]=4 4847 B10R0.19 CCCC(C)C(=O)CCOC 1458a_100000749529_100000766640 [0,2,0,0,0,0|1,1,0]=4 4848 B10R0.19 CCCC(C)C(=O)CCSC 1458a_100000174002_100000766640 [0,2,0,0,0,0|1,0,0]=3 4849 B10R0.19 CCCC(C)C(=O)CCSC 1458a_100000210906_100000751147 [0,2,0,0,0,0|1,0,0]=3 4850 B10R0.19 CCCC(C)C(=O)COCC 1458a_100000211967_100000766640 [0,2,0,0,0,0|1,0,0]=3 4851 B10R0.19 CCCC(C)C(=O)CSCC 1458a_100000230394_100000766640 [0,2,0,0,0,0|1,1,0]=4 4852 B10R0.19 CCCC(C)C(=O)NCCF 11a_100000724931_100000210906 [0,2,0,0,0,0|2,0,0]=4 4853 B10R0.19 CCCC(C)C(=O)NCCF 1626a_100000724931_100000210906 [0,2,0,0,0,0|2,0,0]=4 4854 B10R0.19 CCCC(C)C(=O)NCCF 240690a_100000724931_100000210906 [0,2,0,0,0,0|2,0,0]=4 4855 B10R0.19 CCCC(C)C(=O)NCCF 527a_100000724931_100000210906 [0,2,0,0,0,0|2,0,0]=4 4856 B10R0.19 CCCC(C)C(=O)NCCO 240690a_100000210304_100000210906 [0,2,0,0,0,0|2,0,0]=4 4857 B10R0.19 CCCC(C)C(=O)NCCO 527a_100000210304_100000210906 [0,2,0,0,0,0|2,0,0]=4 4858 B10R0.19 CCCC(C)C(=O)NNCC 22a_100000756455_100000210906 [0,2,0,0,0,0|2,0,0]=4 4859 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [0,2,0,0,0,0|2,0,0]=4 4860 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210183_100000766640 [0,2,0,0,0,0|2,0,0]=4 4861 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210906_100000210211 [0,2,0,0,0,0|2,0,0]=4 4862 B10R0.19 CCCCC(=O)C(C)CCO 1458a_100000210183_100009893172 [0,2,0,0,0,0|2,0,0]=4 4863 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000210183_100000765312 [0,2,0,0,0,0|1,1,0]=4 4864 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000751857_100000210211 [0,2,0,0,0,0|1,1,0]=4 4865 B10R0.19 CCCCC(=O)C(C)CSC 1458a_100000753918_100000210211 [0,2,0,0,0,0|1,0,0]=3 4866 B10R0.19 CCCCC(=O)C(C)OCC 1458a_100000739345_100000210211 [0,2,0,0,0,0|1,0,0]=3 4867 B10R0.19 CCCCC(=O)C(C)SCC 1458a_100000230601_100000210211 [0,2,0,0,0,0|1,1,0]=4 4868 B10R0.19 CCCCC(=O)N(C)CCC 11a_100000747261_100000210183 [0,2,0,0,0,0|2,0,0]=4 4869 B10R0.19 CCCCC(=O)N(C)CCC 1626a_100000747261_100000210183 [0,2,0,0,0,0|2,0,0]=4 4870 B10R0.19 CCCCC(=O)N(C)CCC 240690a_100000747261_100000210183 [0,2,0,0,0,0|2,0,0]=4 4871 B10R0.19 CCCCC(=O)N(C)CCC 527a_100000747261_100000210183 [0,2,0,0,0,0|2,0,0]=4 4872 B10R0.19 CCCCC(=O)N(C)CCO 240690a_100000210263_100000210183 [0,2,0,0,0,0|2,0,0]=4 4873 B10R0.19 CCCCC(=O)N(C)CCO 527a_100000210263_100000210183 [0,2,0,0,0,0|2,0,0]=4 4874 B10R0.19 CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210211 [0,2,0,0,0,0|2,0,0]=4 4875 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,2,0,0,0,0|2,0,0]=4 4876 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,2,0,0,0,0|2,0,0]=4 4877 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,2,0,0,0,0|2,0,0]=4 4878 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,2,0,0,0,0|2,0,0]=4 4879 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,2,0,0,0,0|2,0,0]=4 4880 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,2,0,0,0,0|2,0,0]=4 4881 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,2,0,0,0,0|2,0,0]=4 4882 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,2,0,0,0,0|2,0,0]=4 4883 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 4884 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 4885 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 4886 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 4887 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [0,2,0,0,0,0|2,0,0]=4 4888 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [0,2,0,0,0,0|2,0,0]=4 4889 B10R0.19 CCCN(C)C(=O)CCOC 11a_100000747261_100000749529 [0,2,0,0,0,0|1,1,0]=4 4890 B10R0.19 CCCN(C)C(=O)CCOC 1626a_100000747261_100000749529 [0,2,0,0,0,0|1,1,0]=4 4891 B10R0.19 CCCN(C)C(=O)CCOC 240690a_100000747261_100000749529 [0,2,0,0,0,0|1,1,0]=4 4892 B10R0.19 CCCN(C)C(=O)CCOC 527a_100000747261_100000749529 [0,2,0,0,0,0|1,1,0]=4 4893 B10R0.19 CCCN(C)C(=O)CCSC 11a_100000747261_100000174002 [0,2,0,0,0,0|1,0,0]=3 4894 B10R0.19 CCCN(C)C(=O)CCSC 1626a_100000747261_100000174002 [0,2,0,0,0,0|1,0,0]=3 4895 B10R0.19 CCCN(C)C(=O)CCSC 240690a_100000747261_100000174002 [0,2,0,0,0,0|1,0,0]=3 4896 B10R0.19 CCCN(C)C(=O)CCSC 527a_100000747261_100000174002 [0,2,0,0,0,0|1,0,0]=3 4897 B10R0.19 CCCN(C)C(=O)COCC 11a_100000747261_100000211967 [0,2,0,0,0,0|2,0,0]=4 4898 B10R0.19 CCCN(C)C(=O)COCC 1626a_100000747261_100000211967 [0,2,0,0,0,0|2,0,0]=4 4899 B10R0.19 CCCN(C)C(=O)COCC 240690a_100000747261_100000211967 [0,2,0,0,0,0|2,0,0]=4 4900 B10R0.19 CCCN(C)C(=O)COCC 527a_100000747261_100000211967 [0,2,0,0,0,0|2,0,0]=4 4901 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 4902 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 4903 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 4904 B10R0.19 CCCNC(=O)C(C)CCC 11a_100020643023_100000210906 [0,2,0,0,0,0|2,0,0]=4 4905 B10R0.19 CCCNC(=O)C(C)CCC 1626a_100020643023_100000210906 [0,2,0,0,0,0|2,0,0]=4 4906 B10R0.19 CCCNC(=O)C(C)CCC 240690a_100020643023_100000210906 [0,2,0,0,0,0|2,0,0]=4 4907 B10R0.19 CCCNC(=O)C(C)CCC 527a_100020643023_100000210906 [0,2,0,0,0,0|2,0,0]=4 4908 B10R0.19 CCCNC(=O)C(C)COC 11a_100020643023_100000751857 [0,2,0,0,0,0|1,1,0]=4 4909 B10R0.19 CCCNC(=O)C(C)COC 1626a_100020643023_100000751857 [0,2,0,0,0,0|1,1,0]=4 4910 B10R0.19 CCCNC(=O)C(C)COC 240690a_100020643023_100000751857 [0,2,0,0,0,0|1,1,0]=4 4911 B10R0.19 CCCNC(=O)C(C)COC 527a_100020643023_100000751857 [0,2,0,0,0,0|1,1,0]=4 4912 B10R0.19 CCCNC(=O)C(C)CSC 11a_100020643023_100000753918 [0,2,0,0,0,0|1,0,0]=3 4913 B10R0.19 CCCNC(=O)C(C)CSC 1626a_100020643023_100000753918 [0,2,0,0,0,0|1,0,0]=3 4914 B10R0.19 CCCNC(=O)C(C)CSC 240690a_100020643023_100000753918 [0,2,0,0,0,0|1,0,0]=3 4915 B10R0.19 CCCNC(=O)C(C)CSC 527a_100020643023_100000753918 [0,2,0,0,0,0|1,0,0]=3 4916 B10R0.19 CCCNC(=O)C(C)OCC 11a_100020643023_100000739345 [0,2,0,0,0,0|2,0,0]=4 4917 B10R0.19 CCCNC(=O)C(C)OCC 1626a_100020643023_100000739345 [0,2,0,0,0,0|2,0,0]=4 4918 B10R0.19 CCCNC(=O)C(C)OCC 240690a_100020643023_100000739345 [0,2,0,0,0,0|2,0,0]=4 4919 B10R0.19 CCCNC(=O)C(C)OCC 34a_100121572206_100000230305 [0,2,0,0,0,0|2,0,0]=4 4920 B10R0.19 CCCNC(=O)C(C)OCC 527a_100020643023_100000739345 [0,2,0,0,0,0|2,0,0]=4 4921 B10R0.19 CCCNC(=O)[C@@H](O)CCC 240690a_100020643023_100009822183 [0,2,0,0,0,0|2,0,0]=4 4922 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [0,2,0,0,0,0|2,0,0]=4 4923 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [0,2,0,0,0,0|2,0,0]=4 4924 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [0,2,0,0,0,0|1,1,0]=4 4925 B10R0.19 CCCOC(=O)C(C)NCC 2230a_100015525214_100000760410 [0,2,0,0,0,0|2,0,0]=4 4926 B10R0.19 CCCOC(=O)C(C)OCC 34a_100000037348_100000210202 [0,2,0,0,0,0|2,0,0]=4 4927 B10R0.19 CCCOC(=O)C(C)OCC 34a_100121572206_100000760410 [0,2,0,0,0,0|2,0,0]=4 4928 B10R0.19 CCCOC(=O)C(C)OCC 7a_100000037348_100000210202 [0,2,0,0,0,0|2,0,0]=4 4929 B10R0.19 CCCOC(=O)C(C)SCC 62a_100000210202_100000760410 [0,2,0,0,0,0|2,0,0]=4 4930 B10R0.19 CCCOC(=O)C(C)SCC 62a_100000760410_100000210202 [0,2,0,0,0,0|2,0,0]=4 4931 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [0,2,0,0,0,0|2,0,0]=4 4932 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,2,0,0,0,0|1,0,0]=3 4933 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,2,0,0,0,0|1,0,0]=3 4934 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,2,0,0,0,0|1,0,0]=3 4935 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [0,2,0,0,0,0|2,0,0]=4 4936 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [0,2,0,0,0,0|2,0,0]=4 4937 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,2,0,0,0,0|1,0,0]=3 4938 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,2,0,0,0,0|1,0,0]=3 4939 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,2,0,0,0,0|1,0,0]=3 4940 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,2,0,0,0,0|1,0,0]=3 4941 B10R0.19 CCC[C@H](O)C(=O)CCCF 1458a_100009822183_100011934791 [0,2,0,0,0,0|2,0,0]=4 4942 B10R0.19 CCC[C@H](O)C(=O)CCCO 1458a_100009822183_100011215043 [0,2,0,0,0,0|2,0,0]=4 4943 B10R0.19 CCC[C@H](O)C(=O)CCOC 1458a_100009822183_100000233755 [0,2,0,0,0,0|1,1,0]=4 4944 B10R0.19 CCC[C@H](O)C(=O)CCSC 1458a_100009822183_100000751147 [0,2,0,0,0,0|1,0,0]=3 4945 B10R0.19 CCC[C@H](O)C(=O)NCCF 240690a_100000724931_100009822183 [0,2,0,0,0,0|2,0,0]=4 4946 B10R0.19 CCC[C@H](O)C(=O)NCCO 240690a_100000210304_100009822183 [0,2,0,0,0,0|2,0,0]=4 4947 B10R0.19 CCC[C@H](O)C(=O)NNCC 22a_100000756455_100009822183 [0,2,0,0,0,0|2,0,0]=4 4948 B10R0.19 CCNC(=O)C(=O)CCOC 1458a_200011297158_100000233755 [0,2,0,0,0,0|1,1,0]=4 4949 B10R0.19 CCNC(=O)C(=O)CCSC 1458a_200011297158_100000751147 [0,2,0,0,0,0|1,0,0]=3 4950 B10R0.19 CCNC(=O)C(C)NCOC 2230a_100000736553_100000766300 [0,2,0,0,0,0|1,1,0]=4 4951 B10R0.19 CCNC(=O)C(C)NCSC 2230a_100000736553_100011218213 [0,2,0,0,0,0|1,0,0]=3 4952 B10R0.19 CCNC(=O)C(C)NCSC 34a_100000736553_100011218213 [0,2,0,0,0,0|1,0,0]=3 4953 B10R0.19 CCNC(=O)C(C)SCOC 62a_100000230173_100000766300 [0,2,0,0,0,0|1,1,0]=4 4954 B10R0.19 CCNC(=O)C(C)SCOC 62a_100000766300_100000230173 [0,2,0,0,0,0|1,1,0]=4 4955 B10R0.19 CCNC(=O)C(C)SCSC 62a_100000230173_100011218213 [0,2,0,0,0,0|1,0,0]=3 4956 B10R0.19 CCNC(=O)C(C)SCSC 62a_100011218213_100000230173 [0,2,0,0,0,0|1,0,0]=3 4957 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [0,2,0,0,0,0|1,0,0]=3 4958 B10R0.19 CCNC(=O)N(C)CCOC 2708a_100015525214_100000743101 [0,2,0,0,0,0|1,1,0]=4 4959 B10R0.19 CCNC(=O)N(C)CCOC 273464a_100015525214_100000743101 [0,2,0,0,0,0|1,1,0]=4 4960 B10R0.19 CCNC(=O)N(C)CCSC 2708a_100015525214_100000686725 [0,2,0,0,0,0|1,0,0]=3 4961 B10R0.19 CCNC(=O)N(C)CCSC 273464a_100015525214_100000686725 [0,2,0,0,0,0|1,0,0]=3 4962 B10R0.19 CCNNC(=O)C(C)COC 22a_100000756455_100000751857 [0,2,0,0,0,0|1,1,0]=4 4963 B10R0.19 CCNNC(=O)C(C)CSC 22a_100000756455_100000753918 [0,2,0,0,0,0|1,0,0]=3 4964 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [0,2,0,0,0,0|0,0,1]=3 4965 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [0,2,0,0,0,0|0,0,1]=3 4966 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100000211299_100015361967 [0,2,0,0,0,0|0,0,1]=3 4967 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100015361967_100000211299 [0,2,0,0,0,0|0,0,1]=3 4968 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [0,2,0,0,0,0|2,0,0]=4 4969 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [0,2,0,0,0,0|2,0,0]=4 4970 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [0,2,0,0,0,0|2,0,0]=4 4971 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [0,2,0,0,0,0|2,0,0]=4 4972 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [0,2,0,0,0,0|2,0,0]=4 4973 B10R0.19 CCOC(=O)C(C)SCC#N 62a_100011215382_100011216346 [0,2,0,0,0,0|2,0,0]=4 4974 B10R0.19 CCOC(=O)C(C)SCC#N 62a_100011216346_100011215382 [0,2,0,0,0,0|2,0,0]=4 4975 B10R0.19 CCOC(=O)C(C)SCC=O 62a_100011216346_200015260668 [0,2,0,0,0,0|2,0,0]=4 4976 B10R0.19 CCOC(=O)C(C)SCC=O 62a_200015260668_100011216346 [0,2,0,0,0,0|2,0,0]=4 4977 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [0,2,0,0,0,0|2,0,0]=4 4978 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [0,2,0,0,0,0|2,0,0]=4 4979 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [0,2,0,0,0,0|2,0,0]=4 4980 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [0,2,0,0,0,0|2,0,0]=4 4981 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [0,2,0,0,0,0|0,1,0]=3 4982 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [0,2,0,0,0,0|0,1,0]=3 4983 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [0,2,0,0,0,0|0,0,0]=2 4984 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [0,2,0,0,0,0|0,0,0]=2 4985 B10R0.19 CCOC(=O)C(F)NCCF 34a_100000724931_100000760018 [0,2,0,0,0,0|2,0,0]=4 4986 B10R0.19 CCOC(=O)C(F)NCCO 2230a_100016997473_100000760018 [0,2,0,0,0,0|2,0,0]=4 4987 B10R0.19 CCOC(=O)C(F)NCCO 34a_100016990907_100000760018 [0,2,0,0,0,0|2,0,0]=4 4988 B10R0.19 CCOC(=O)C(F)OCCBr 34a_100000211926_100000760018 [0,2,0,0,0,0|2,0,0]=4 4989 B10R0.19 CCOC(=O)C(F)OCCN 34a_100000210304_100000760018 [0,2,0,0,0,0|2,0,0]=4 4990 B10R0.19 CCOC(=O)C(F)SCC#N 62a_100000760018_100011215382 [0,2,0,0,0,0|2,0,0]=4 4991 B10R0.19 CCOC(=O)C(F)SCC#N 62a_100011215382_100000760018 [0,2,0,0,0,0|2,0,0]=4 4992 B10R0.19 CCOC(=O)C(F)SCC=O 62a_100000760018_200015260668 [0,2,0,0,0,0|2,0,0]=4 4993 B10R0.19 CCOC(=O)C(F)SCC=O 62a_200015260668_100000760018 [0,2,0,0,0,0|2,0,0]=4 4994 B10R0.19 CCOC(=O)C(F)SCCF 62a_100000760018_100011217306 [0,2,0,0,0,0|2,0,0]=4 4995 B10R0.19 CCOC(=O)C(F)SCCF 62a_100011217306_100000760018 [0,2,0,0,0,0|2,0,0]=4 4996 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000211926_100000760018 [0,2,0,0,0,0|2,0,0]=4 4997 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000760018_100000211926 [0,2,0,0,0,0|2,0,0]=4 4998 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000760018_100000766300 [0,2,0,0,0,0|0,1,0]=3 4999 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000766300_100000760018 [0,2,0,0,0,0|0,1,0]=3 5000 B10R0.19 CCOC(=O)C(F)SCSC 62a_100000760018_100011218213 [0,2,0,0,0,0|0,0,0]=2 5001 B10R0.19 CCOC(=O)C(F)SCSC 62a_100011218213_100000760018 [0,2,0,0,0,0|0,0,0]=2 5002 B10R0.19 CCOC(=O)[C@H](C)OCC#N 7a_100000751109_100011215382 [0,2,0,0,0,0|2,0,0]=4 5003 B10R0.19 CCOC(=O)[C@H](C)OCC=O 7a_100000751109_200015260668 [0,2,0,0,0,0|2,0,0]=4 5004 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [0,2,0,0,0,0|2,0,0]=4 5005 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [0,2,0,0,0,0|2,0,0]=4 5006 B10R0.19 CCOC(C)C(=O)CCC#N 1458a_100000739345_100011215226 [0,2,0,0,0,0|2,0,0]=4 5007 B10R0.19 CCOC(C)C(=O)CCCF 1458a_100000739345_100011934791 [0,2,0,0,0,0|2,0,0]=4 5008 B10R0.19 CCOC(C)C(=O)CCCO 1458a_100000739345_100011215043 [0,2,0,0,0,0|2,0,0]=4 5009 B10R0.19 CCOC(C)C(=O)CCOC 1458a_100000739345_100000233755 [0,2,0,0,0,0|0,1,0]=3 5010 B10R0.19 CCOC(C)C(=O)CCSC 1458a_100000739345_100000751147 [0,2,0,0,0,0|0,0,0]=2 5011 B10R0.19 CCOCC(=O)C(C)CC#N 1458a_100000211967_100009813641 [0,2,0,0,0,0|2,0,0]=4 5012 B10R0.19 CCOCC(=O)C(C)CCO 1458a_100000211967_100009893172 [0,2,0,0,0,0|2,0,0]=4 5013 B10R0.19 CCOCC(=O)C(C)COC 1458a_100000211967_100000765312 [0,2,0,0,0,0|0,1,0]=3 5014 B10R0.19 CCSC(=O)[C@H](C)NCOC 2230a_100103168634_100000766300 [0,2,0,0,0,0|0,2,0]=4 5015 B10R0.19 CCSC(=O)[C@H](C)NCSC 2230a_100103168634_100011218213 [0,2,0,0,0,0|0,1,0]=3 5016 B10R0.19 CCSC(C)C(=O)CCOC 1458a_100000230601_100000233755 [0,2,0,0,0,0|0,2,0]=4 5017 B10R0.19 CCSC(C)C(=O)CCSC 1458a_100000230601_100000751147 [0,2,0,0,0,0|0,1,0]=3 5018 B10R0.19 CCSCC(=O)C(C)COC 1458a_100000230394_100000765312 [0,2,0,0,0,0|0,2,0]=4 5019 B10R0.19 CNNC(=O)C(O)CCSC 22a_100016993582_100000685904 [0,2,0,0,0,0|2,0,0]=4 5020 B10R0.19 CO/N=C(\C)/C(=O)CCSC 1458a_100160996864_100000751147 [0,2,0,0,0,0|2,0,0]=4 5021 B10R0.19 COCC(=O)N(C)CCSC 11a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 5022 B10R0.19 COCC(=O)N(C)CCSC 1626a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 5023 B10R0.19 COCC(=O)N(C)CCSC 240690a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 5024 B10R0.19 COCC(=O)N(C)CCSC 527a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 5025 B10R0.19 COCC(C)C(=O)CCCF 1458a_100000751857_100011934791 [0,2,0,0,0,0|1,1,0]=4 5026 B10R0.19 COCC(C)C(=O)CCCO 1458a_100000751857_100011215043 [0,2,0,0,0,0|1,1,0]=4 5027 B10R0.19 COCC(C)C(=O)CCSC 1458a_100000174002_100000765312 [0,2,0,0,0,0|1,0,0]=3 5028 B10R0.19 COCC(C)C(=O)CCSC 1458a_100000751857_100000751147 [0,2,0,0,0,0|1,0,0]=3 5029 B10R0.19 COCC(C)C(=O)NCCF 11a_100000724931_100000751857 [0,2,0,0,0,0|1,1,0]=4 5030 B10R0.19 COCC(C)C(=O)NCCF 1626a_100000724931_100000751857 [0,2,0,0,0,0|1,1,0]=4 5031 B10R0.19 COCC(C)C(=O)NCCF 240690a_100000724931_100000751857 [0,2,0,0,0,0|1,1,0]=4 5032 B10R0.19 COCC(C)C(=O)NCCF 527a_100000724931_100000751857 [0,2,0,0,0,0|1,1,0]=4 5033 B10R0.19 COCC(C)C(=O)NCCO 240690a_100000210304_100000751857 [0,2,0,0,0,0|1,1,0]=4 5034 B10R0.19 COCC(C)C(=O)NCCO 527a_100000210304_100000751857 [0,2,0,0,0,0|1,1,0]=4 5035 B10R0.19 COCCC(=O)C(C)CCO 1458a_100000749529_100009893172 [0,2,0,0,0,0|1,1,0]=4 5036 B10R0.19 COCCC(=O)C(C)COC 1458a_100000749529_100000765312 [0,2,0,0,0,0|1,1,0]=4 5037 B10R0.19 COCCC(=O)C(C)COC 1458a_100000751857_100000233755 [0,2,0,0,0,0|1,1,0]=4 5038 B10R0.19 COCCC(=O)C(C)CSC 1458a_100000753918_100000233755 [0,2,0,0,0,0|1,0,0]=3 5039 B10R0.19 COCCC(=O)N(C)CCO 240690a_100000210263_100000749529 [0,2,0,0,0,0|1,1,0]=4 5040 B10R0.19 COCCC(=O)N(C)CCO 527a_100000210263_100000749529 [0,2,0,0,0,0|1,1,0]=4 5041 B10R0.19 CSCC(C)C(=O)CCC#N 1458a_100000753918_100011215226 [0,2,0,0,0,0|1,0,1]=4 5042 B10R0.19 CSCC(C)C(=O)CCCF 1458a_100000753918_100011934791 [0,2,0,0,0,0|1,0,0]=3 5043 B10R0.19 CSCC(C)C(=O)CCCO 1458a_100000753918_100011215043 [0,2,0,0,0,0|1,0,0]=3 5044 B10R0.19 CSCC(C)C(=O)NCC#N 1626a_100000734998_100000753918 [0,2,0,0,0,0|1,0,1]=4 5045 B10R0.19 CSCC(C)C(=O)NCC#N 527a_100000734998_100000753918 [0,2,0,0,0,0|1,0,1]=4 5046 B10R0.19 CSCC(C)C(=O)NCCF 11a_100000724931_100000753918 [0,2,0,0,0,0|1,0,0]=3 5047 B10R0.19 CSCC(C)C(=O)NCCF 1626a_100000724931_100000753918 [0,2,0,0,0,0|1,0,0]=3 5048 B10R0.19 CSCC(C)C(=O)NCCF 240690a_100000724931_100000753918 [0,2,0,0,0,0|1,0,0]=3 5049 B10R0.19 CSCC(C)C(=O)NCCF 527a_100000724931_100000753918 [0,2,0,0,0,0|1,0,0]=3 5050 B10R0.19 CSCC(C)C(=O)NCCO 240690a_100000210304_100000753918 [0,2,0,0,0,0|1,0,0]=3 5051 B10R0.19 CSCC(C)C(=O)NCCO 527a_100000210304_100000753918 [0,2,0,0,0,0|1,0,0]=3 5052 B10R0.19 CSCCC(=O)C(C)CC#N 1458a_100000174002_100009813641 [0,2,0,0,0,0|1,0,1]=4 5053 B10R0.19 CSCCC(=O)C(C)CCO 1458a_100000174002_100009893172 [0,2,0,0,0,0|1,0,0]=3 5054 B10R0.19 CSCCC(=O)C(C)CSC 1458a_100000753918_100000751147 [0,2,0,0,0,0|1,0,0]=3 5055 B10R0.19 CSCCC(=O)N(C)CC#N 11a_100000748184_100000174002 [0,2,0,0,0,0|1,0,1]=4 5056 B10R0.19 CSCCC(=O)N(C)CC#N 1626a_100000748184_100000174002 [0,2,0,0,0,0|1,0,1]=4 5057 B10R0.19 CSCCC(=O)N(C)CCO 240690a_100000210263_100000174002 [0,2,0,0,0,0|1,0,0]=3 5058 B10R0.19 CSCCC(=O)N(C)CCO 527a_100000210263_100000174002 [0,2,0,0,0,0|1,0,0]=3 5059 B10R0.19 CSCCC(O)C(=O)CCF 1458a_100000685904_100011217306 [0,2,0,0,0,0|2,0,0]=4 5060 B10R0.19 CSCCC(O)C(=O)CCO 1458a_100000685904_100000211926 [0,2,0,0,0,0|2,0,0]=4 5061 B10R0.19 CSCCN(C)C(=O)CCO 240690a_100000686725_100011216618 [0,2,0,0,0,0|2,0,0]=4 5062 B10R0.19 CSCCN(C)C(=O)CSC 11a_100000686725_100000184570 [0,2,0,0,0,0|2,0,0]=4 5063 B10R0.19 CSCCN(C)C(=O)CSC 1626a_100000686725_100000184570 [0,2,0,0,0,0|2,0,0]=4 5064 B10R0.19 CSCCN(C)C(=O)CSC 240690a_100000686725_100000184570 [0,2,0,0,0,0|2,0,0]=4 5065 B10R0.19 CSCCN(C)C(=O)CSC 527a_100000686725_100000184570 [0,2,0,0,0,0|2,0,0]=4 5066 B10R0.24 CCOC(CC)CNCSC 2230a_100015183923_100011218213 [0,2,0,0,0,0|1,0,1]=4 5067 B10R0.24 CCOC(CC)CNCSC 34a_100015183923_100011218213 [0,2,0,0,0,0|1,0,1]=4 5068 B10R0.83 C/C=C(\C)/C(=O)CCSCC 1458a_100020587367_100000757381 [0,2,0,0,0,0|1,0,1]=4 5069 B10R0.83 C/C=C(\C)/C(=O)NCCSC 11a_100020590264_100020587367 [0,2,0,0,0,0|1,0,1]=4 5070 B10R0.83 C/C=C(\C)/C(=O)NCCSC 1626a_100020590264_100020587367 [0,2,0,0,0,0|1,0,1]=4 5071 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [0,2,0,0,0,0|2,0,0]=4 5072 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [0,2,0,0,0,0|2,0,0]=4 5073 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [0,2,0,0,0,0|2,0,0]=4 5074 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [0,2,0,0,0,0|1,1,0]=4 5075 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [0,2,0,0,0,0|1,1,0]=4 5076 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [0,2,0,0,0,0|1,0,0]=3 5077 B10R0.83 CCC(C)C(=O)NCCOC 1626a_100000209980_100011192722 [0,2,0,0,0,0|1,1,0]=4 5078 B10R0.83 CCC(C)C(=O)NCCOC 240690a_100000209980_100011192722 [0,2,0,0,0,0|1,1,0]=4 5079 B10R0.83 CCC(C)C(=O)NCCOC 527a_100000209980_100011192722 [0,2,0,0,0,0|1,1,0]=4 5080 B10R0.83 CCC(C)C(=O)NCCSC 11a_100020590264_100011192722 [0,2,0,0,0,0|1,0,0]=3 5081 B10R0.83 CCC(C)C(=O)NCCSC 1626a_100020590264_100011192722 [0,2,0,0,0,0|1,0,0]=3 5082 B10R0.83 CCC(C)C(=O)NCCSC 240690a_100020590264_100011192722 [0,2,0,0,0,0|1,0,0]=3 5083 B10R0.83 CCC(C)C(=O)NCCSC 527a_100020590264_100011192722 [0,2,0,0,0,0|1,0,0]=3 5084 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,2,0,0,0,0|2,0,0]=4 5085 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,2,0,0,0,0|2,0,0]=4 5086 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,2,0,0,0,0|1,1,0]=4 5087 B10R0.83 CCC(O)C(=O)NCCOC 240690a_100000209980_100011196387 [0,2,0,0,0,0|1,1,0]=4 5088 B10R0.83 CCC(O)C(=O)NCCSC 240690a_100020590264_100011196387 [0,2,0,0,0,0|1,0,0]=3 5089 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,2,0,0,0,0|2,0,0]=4 5090 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,2,0,0,0,0|2,0,0]=4 5091 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,2,0,0,0,0|2,0,0]=4 5092 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5093 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5094 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5095 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5096 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [0,2,0,0,0,0|2,0,0]=4 5097 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [0,2,0,0,0,0|2,0,0]=4 5098 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [0,2,0,0,0,0|2,0,0]=4 5099 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [0,2,0,0,0,0|2,0,0]=4 5100 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [0,2,0,0,0,0|2,0,0]=4 5101 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [0,2,0,0,0,0|2,0,0]=4 5102 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [0,2,0,0,0,0|2,0,0]=4 5103 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [0,2,0,0,0,0|2,0,0]=4 5104 B10R0.83 CCCOCC(=O)N(C)CC 11a_100000225621_100000745993 [0,2,0,0,0,0|2,0,0]=4 5105 B10R0.83 CCCOCC(=O)N(C)CC 1626a_100000225621_100000745993 [0,2,0,0,0,0|2,0,0]=4 5106 B10R0.83 CCCOCC(=O)N(C)CC 240690a_100000225621_100000745993 [0,2,0,0,0,0|2,0,0]=4 5107 B10R0.83 CCCOCC(=O)N(C)CC 34a_100000210258_100000738999 [0,2,0,0,0,0|2,0,0]=4 5108 B10R0.83 CCCOCC(=O)N(C)CC 527a_100000225621_100000745993 [0,2,0,0,0,0|2,0,0]=4 5109 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [0,2,0,0,0,0|2,0,0]=4 5110 B10R0.83 CCCSCC(=O)N(C)CC 11a_100000225621_100000217233 [0,2,0,0,0,0|2,0,0]=4 5111 B10R0.83 CCCSCC(=O)N(C)CC 1626a_100000225621_100000217233 [0,2,0,0,0,0|2,0,0]=4 5112 B10R0.83 CCCSCC(=O)N(C)CC 240690a_100000225621_100000217233 [0,2,0,0,0,0|2,0,0]=4 5113 B10R0.83 CCCSCC(=O)N(C)CC 527a_100000225621_100000217233 [0,2,0,0,0,0|2,0,0]=4 5114 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000210303_100000738999 [0,2,0,0,0,0|2,0,0]=4 5115 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000738999_100000210303 [0,2,0,0,0,0|2,0,0]=4 5116 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [0,2,0,0,0,0|2,0,0]=4 5117 B10R0.83 CCN(C)C(=O)CCCOC 11a_100000225621_100000741012 [0,2,0,0,0,0|1,1,0]=4 5118 B10R0.83 CCN(C)C(=O)CCCOC 1626a_100000225621_100000741012 [0,2,0,0,0,0|1,1,0]=4 5119 B10R0.83 CCN(C)C(=O)CCCOC 240690a_100000225621_100000741012 [0,2,0,0,0,0|1,1,0]=4 5120 B10R0.83 CCN(C)C(=O)CCCOC 527a_100000225621_100000741012 [0,2,0,0,0,0|1,1,0]=4 5121 B10R0.83 CCN(C)C(=O)CCCSC 11a_100000225621_100000173376 [0,2,0,0,0,0|1,0,0]=3 5122 B10R0.83 CCN(C)C(=O)CCCSC 1626a_100000225621_100000173376 [0,2,0,0,0,0|1,0,0]=3 5123 B10R0.83 CCN(C)C(=O)CCCSC 240690a_100000225621_100000173376 [0,2,0,0,0,0|1,0,0]=3 5124 B10R0.83 CCN(C)C(=O)CCCSC 527a_100000225621_100000173376 [0,2,0,0,0,0|1,0,0]=3 5125 B10R0.83 CCN(C)C(=O)CSCOC 62a_100000738999_100000766300 [0,2,0,0,0,0|1,1,0]=4 5126 B10R0.83 CCN(C)C(=O)CSCOC 62a_100000766300_100000738999 [0,2,0,0,0,0|1,1,0]=4 5127 B10R0.83 CCN(C)C(=O)CSCSC 62a_100000738999_100011218213 [0,2,0,0,0,0|1,0,0]=3 5128 B10R0.83 CCN(C)C(=O)CSCSC 62a_100011218213_100000738999 [0,2,0,0,0,0|1,0,0]=3 5129 B10R0.83 CCN(C)C(=O)NCCOC 273464a_100000209980_100000225621 [0,2,0,0,0,0|1,1,0]=4 5130 B10R0.83 CCN(C)C(=O)NCCSC 2708a_100020590264_100000225621 [0,2,0,0,0,0|1,0,0]=3 5131 B10R0.83 CCN(C)C(=O)NCCSC 273464a_100020590264_100000225621 [0,2,0,0,0,0|1,0,0]=3 5132 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [0,2,0,0,0,0|1,1,0]=4 5133 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [0,2,0,0,0,0|1,1,0]=4 5134 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [0,2,0,0,0,0|1,1,0]=4 5135 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [0,2,0,0,0,0|1,1,0]=4 5136 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [0,2,0,0,0,0|1,1,0]=4 5137 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [0,2,0,0,0,0|1,1,0]=4 5138 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [0,2,0,0,0,0|1,1,0]=4 5139 B10R0.83 CCSCCC(=O)C(=O)NC 1458a_100011218921_100000757381 [0,2,0,0,0,0|2,0,0]=4 5140 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [0,2,0,0,0,0|1,0,0]=3 5141 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [0,2,0,0,0,0|1,0,0]=3 5142 B10R0.83 CCSCCC(=O)C(C)OC 1458a_100000743197_100000757381 [0,2,0,0,0,0|2,0,0]=4 5143 B10R0.83 CCSCCC(=O)C(C)SC 1458a_100000149566_100000757381 [0,2,0,0,0,0|2,0,0]=4 5144 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,2,0,0,0,0|1,0,0]=3 5145 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [0,2,0,0,0,0|2,0,0]=4 5146 B10R0.83 CCSCCC(=O)N(C)CC 11a_100000225621_100000230768 [0,2,0,0,0,0|1,0,0]=3 5147 B10R0.83 CCSCCC(=O)N(C)CC 1626a_100000225621_100000230768 [0,2,0,0,0,0|1,0,0]=3 5148 B10R0.83 CCSCCC(=O)N(C)CC 240690a_100000225621_100000230768 [0,2,0,0,0,0|1,0,0]=3 5149 B10R0.83 CCSCCC(=O)N(C)CC 527a_100000225621_100000230768 [0,2,0,0,0,0|1,0,0]=3 5150 B10R0.83 CNC(=O)C(=O)NCCSC 1626a_100020590264_100011218921 [0,2,0,0,0,0|2,0,0]=4 5151 B10R0.83 CNC(=O)C(=O)NCCSC 240690a_100020590264_100011218921 [0,2,0,0,0,0|2,0,0]=4 5152 B10R0.83 CNC(=O)C(=O)NCCSC 527a_100020590264_100011218921 [0,2,0,0,0,0|2,0,0]=4 5153 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011218213_100011610305 [0,2,0,0,0,0|2,0,0]=4 5154 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011610305_100011218213 [0,2,0,0,0,0|2,0,0]=4 5155 B10R0.83 COC(=O)C(=O)NCCSC 11a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 5156 B10R0.83 COC(=O)C(=O)NCCSC 1626a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 5157 B10R0.83 COC(=O)C(=O)NCCSC 240690a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 5158 B10R0.83 COC(=O)C(=O)NCCSC 527a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 5159 B10R0.83 COC(C)C(=O)NCCSC 11a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 5160 B10R0.83 COC(C)C(=O)NCCSC 1626a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 5161 B10R0.83 COC(C)C(=O)NCCSC 240690a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 5162 B10R0.83 COC(C)C(=O)NCCSC 527a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 5163 B10R0.83 CON(C)C(=O)CCCSC 62a_100011842776_200000210301 [0,2,0,0,0,0|2,0,0]=4 5164 B10R0.83 CON(C)C(=O)CCCSC 62a_200000210301_100011842776 [0,2,0,0,0,0|2,0,0]=4 5165 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_100011842776_200025704644 [0,2,0,0,0,0|2,0,0]=4 5166 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_200025704644_100011842776 [0,2,0,0,0,0|2,0,0]=4 5167 B10R0.83 CON(C)C(=O)CNCSC 2230a_100015207273_100011218213 [0,2,0,0,0,0|2,0,0]=4 5168 B10R0.83 CON(C)C(=O)CSCSC 62a_100000764215_100011218213 [0,2,0,0,0,0|2,0,0]=4 5169 B10R0.83 CON(C)C(=O)CSCSC 62a_100011218213_100000764215 [0,2,0,0,0,0|2,0,0]=4 5170 B10R0.83 CSCCNC(=O)C(C)SC 11a_100020590264_100000149566 [0,2,0,0,0,0|2,0,0]=4 5171 B10R0.83 CSCCNC(=O)C(C)SC 1626a_100020590264_100000149566 [0,2,0,0,0,0|2,0,0]=4 5172 B10R0.83 CSCCNC(=O)C(C)SC 240690a_100020590264_100000149566 [0,2,0,0,0,0|2,0,0]=4 5173 B10R0.83 CSCCNC(=O)C(C)SC 527a_100020590264_100000149566 [0,2,0,0,0,0|2,0,0]=4 5174 B10R0.83 CSCCNC(=O)C(O)CO 240690a_100020590264_100011215603 [0,2,0,0,0,0|2,0,0]=4 5175 B10R0.91 C#CCCC(=O)C=COCC 1458a_100016266692_100000753159 [0,2,0,0,0,0|1,0,1]=4 5176 B10R0.91 C#CCCC(=O)CCCSC 1458a_100000173376_100000753159 [0,2,0,0,0,0|1,0,1]=4 5177 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000692101_100011215890 [0,2,0,0,0,0|1,0,1]=4 5178 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000749530_100000753159 [0,2,0,0,0,0|1,0,1]=4 5179 B10R0.91 C#CCCC(=O)CCOCC 34a_100011064465_100000210202 [0,2,0,0,0,0|1,0,1]=4 5180 B10R0.91 C#CCCC(=O)CCOCC 7a_100011064465_100000210202 [0,2,0,0,0,0|1,0,1]=4 5181 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000230768_100000753159 [0,2,0,0,0,0|1,0,1]=4 5182 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000692101_100000757381 [0,2,0,0,0,0|1,0,1]=4 5183 B10R0.91 C#CCCC(=O)COCCC 1458a_100000745993_100000753159 [0,2,0,0,0,0|1,0,1]=4 5184 B10R0.91 C#CCCC(=O)COCCO 1458a_100000708028_100000753159 [0,2,0,0,0,0|1,0,1]=4 5185 B10R0.91 C#CCCC(=O)NCCSC 11a_100020590264_100000692101 [0,2,0,0,0,0|1,0,1]=4 5186 B10R0.91 C#CCCC(=O)NCCSC 1626a_100020590264_100000692101 [0,2,0,0,0,0|1,0,1]=4 5187 B10R0.91 C#CCCC(=O)NCCSC 240690a_100020590264_100000692101 [0,2,0,0,0,0|1,0,1]=4 5188 B10R0.91 C#CCCC(=O)NCCSC 527a_100020590264_100000692101 [0,2,0,0,0,0|1,0,1]=4 5189 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [0,2,0,0,0,0|2,0,0]=4 5190 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [0,2,0,0,0,0|2,0,0]=4 5191 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000690238_100000233755 [0,2,0,0,0,0|1,1,0]=4 5192 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000749529_100000731252 [0,2,0,0,0,0|1,1,0]=4 5193 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000174002_100000731252 [0,2,0,0,0,0|1,0,0]=3 5194 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000690238_100000751147 [0,2,0,0,0,0|1,0,0]=3 5195 B10R0.91 C#CCCCC(=O)COCC 1458a_100000211967_100000731252 [0,2,0,0,0,0|1,0,1]=4 5196 B10R0.91 C#CCCNC(=O)CCCC 11a_100000755551_100000210183 [0,2,0,0,0,0|2,0,0]=4 5197 B10R0.91 C#CCCNC(=O)CCCC 1626a_100000755551_100000210183 [0,2,0,0,0,0|2,0,0]=4 5198 B10R0.91 C#CCCNC(=O)CCCC 240690a_100000755551_100000210183 [0,2,0,0,0,0|2,0,0]=4 5199 B10R0.91 C#CCCNC(=O)CCCC 527a_100000755551_100000210183 [0,2,0,0,0,0|2,0,0]=4 5200 B10R0.91 C#CCCNC(=O)CCOC 11a_100000755551_100000749529 [0,2,0,0,0,0|1,1,0]=4 5201 B10R0.91 C#CCCNC(=O)CCOC 1626a_100000755551_100000749529 [0,2,0,0,0,0|1,1,0]=4 5202 B10R0.91 C#CCCNC(=O)CCOC 240690a_100000755551_100000749529 [0,2,0,0,0,0|1,1,0]=4 5203 B10R0.91 C#CCCNC(=O)CCOC 527a_100000755551_100000749529 [0,2,0,0,0,0|1,1,0]=4 5204 B10R0.91 C#CCCNC(=O)CCSC 11a_100000755551_100000174002 [0,2,0,0,0,0|1,0,0]=3 5205 B10R0.91 C#CCCNC(=O)CCSC 1626a_100000755551_100000174002 [0,2,0,0,0,0|1,0,0]=3 5206 B10R0.91 C#CCCNC(=O)CCSC 240690a_100000755551_100000174002 [0,2,0,0,0,0|1,0,0]=3 5207 B10R0.91 C#CCCNC(=O)CCSC 527a_100000755551_100000174002 [0,2,0,0,0,0|1,0,0]=3 5208 B10R0.91 C#CCCNC(=O)COCC 11a_100000755551_100000211967 [0,2,0,0,0,0|1,0,1]=4 5209 B10R0.91 C#CCCNC(=O)COCC 1626a_100000755551_100000211967 [0,2,0,0,0,0|1,0,1]=4 5210 B10R0.91 C#CCCNC(=O)COCC 240690a_100000755551_100000211967 [0,2,0,0,0,0|1,0,1]=4 5211 B10R0.91 C#CCCNC(=O)COCC 527a_100000755551_100000211967 [0,2,0,0,0,0|1,0,1]=4 5212 B10R0.91 C#CCNC(=O)CCCSC 11a_100000212058_100000173376 [0,2,0,0,0,0|1,0,1]=4 5213 B10R0.91 C#CCNC(=O)CCCSC 1626a_100000212058_100000173376 [0,2,0,0,0,0|1,0,1]=4 5214 B10R0.91 C#CCNC(=O)CCCSC 240690a_100000212058_100000173376 [0,2,0,0,0,0|1,0,1]=4 5215 B10R0.91 C#CCNC(=O)CCCSC 527a_100000212058_100000173376 [0,2,0,0,0,0|1,0,1]=4 5216 B10R0.91 C#CCNC(=O)CCSCC 11a_100000212058_100000230768 [0,2,0,0,0,0|1,0,1]=4 5217 B10R0.91 C#CCNC(=O)CCSCC 1626a_100000212058_100000230768 [0,2,0,0,0,0|1,0,1]=4 5218 B10R0.91 C#CCNC(=O)CCSCC 240690a_100000212058_100000230768 [0,2,0,0,0,0|1,0,1]=4 5219 B10R0.91 C#CCNC(=O)CCSCC 527a_100000212058_100000230768 [0,2,0,0,0,0|1,0,1]=4 5220 B10R0.91 C#CCNC(=O)CNCSC 2230a_100000747989_100011218213 [0,2,0,0,0,0|1,0,1]=4 5221 B10R0.91 C#CCNC(=O)CNCSC 34a_100000747989_100011218213 [0,2,0,0,0,0|1,0,1]=4 5222 B10R0.91 C#CCNC(=O)NCCSC 2708a_100000212058_100020590264 [0,2,0,0,0,0|1,0,1]=4 5223 B10R0.91 C#CCNC(=O)NCCSC 2708a_100020590264_100000212058 [0,2,0,0,0,0|1,0,1]=4 5224 B10R0.91 C#CCNC(=O)NCCSC 273464a_100000212058_100020590264 [0,2,0,0,0,0|1,0,1]=4 5225 B10R0.91 C#CCNC(=O)NCCSC 273464a_100020590264_100000212058 [0,2,0,0,0,0|1,0,1]=4 5226 B10R0.91 C#CCNC(=O)NCCSC 512a_100000212058_100020590264 [0,2,0,0,0,0|1,0,1]=4 5227 B10R0.91 C#CCNC(=O)NCCSC 512a_100020590264_100000212058 [0,2,0,0,0,0|1,0,1]=4 5228 B10R0.91 C#CCNCC(=O)OCCC 34a_100000212058_200011215008 [0,2,0,0,0,0|1,0,1]=4 5229 B10R0.91 C#CCOCC(=O)CCCC 1458a_100011251226_100000210211 [0,2,0,0,0,0|1,0,1]=4 5230 B10R0.91 C#CCOCC(=O)CCOC 1458a_100011251226_100000233755 [0,2,0,0,0,0|0,1,1]=4 5231 B10R0.91 C#CCOCC(=O)CCSC 1458a_100011251226_100000751147 [0,2,0,0,0,0|0,0,1]=3 5232 B10R0.91 C#CCOCC(=O)OCCC 34a_100000210247_200011215008 [0,2,0,0,0,0|1,0,1]=4 5233 B10R0.91 C#CCSCC(=O)OCCC 62a_100000038162_200011215008 [0,2,0,0,0,0|1,0,1]=4 5234 B10R0.91 C/C=C/C=CC(=O)CCSC 1458a_100000185730_100000751147 [0,2,0,0,0,0|1,0,1]=4 5235 B10R0.91 C/C=C/CC(=O)C=COCC 1458a_100016266692_100102629194 [0,2,0,0,0,0|1,0,1]=4 5236 B10R0.91 C/C=C/CC(=O)CCCSC 1458a_100000173376_100102629194 [0,2,0,0,0,0|1,0,1]=4 5237 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [0,2,0,0,0,0|1,0,1]=4 5238 B10R0.91 C/C=C/CC(=O)CCSCC 1458a_100000230768_100102629194 [0,2,0,0,0,0|1,0,1]=4 5239 B10R0.91 C/C=C/CC(=O)COCCC 1458a_100000745993_100102629194 [0,2,0,0,0,0|1,0,1]=4 5240 B10R0.91 C/C=C/CC(=O)COCCO 1458a_100000708028_100102629194 [0,2,0,0,0,0|1,0,1]=4 5241 B10R0.91 C=C(COCCC)OCOC 34a_100000210258_100000042856 [0,2,0,0,0,0|2,0,0]=4 5242 B10R0.91 C=C(CSCCC)OCOC 62a_100000042856_100000210303 [0,2,0,0,0,0|2,0,0]=4 5243 B10R0.91 C=C(CSCCC)OCOC 62a_100000210303_100000042856 [0,2,0,0,0,0|2,0,0]=4 5244 B10R0.91 C=C(CSCOC)OCOC 62a_100000042856_100000766300 [0,2,0,0,0,0|1,1,0]=4 5245 B10R0.91 C=C(CSCOC)OCOC 62a_100000766300_100000042856 [0,2,0,0,0,0|1,1,0]=4 5246 B10R0.91 C=C(CSCSC)OCOC 62a_100000042856_100011218213 [0,2,0,0,0,0|1,0,0]=3 5247 B10R0.91 C=C(CSCSC)OCOC 62a_100011218213_100000042856 [0,2,0,0,0,0|1,0,0]=3 5248 B10R0.91 C=CCCC(=O)C=COCC 1458a_100016266692_100000754431 [0,2,0,0,0,0|1,0,1]=4 5249 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [0,2,0,0,0,0|1,0,1]=4 5250 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [0,2,0,0,0,0|1,0,1]=4 5251 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [0,2,0,0,0,0|1,0,1]=4 5252 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [0,2,0,0,0,0|1,0,1]=4 5253 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [0,2,0,0,0,0|1,0,1]=4 5254 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [0,2,0,0,0,0|1,0,1]=4 5255 B10R0.91 C=CCCC(=O)COCCO 1458a_100000708028_100000754431 [0,2,0,0,0,0|1,0,1]=4 5256 B10R0.91 C=CCCC(=O)NCCSC 11a_100020590264_100000749702 [0,2,0,0,0,0|1,0,1]=4 5257 B10R0.91 C=CCCC(=O)NCCSC 1626a_100020590264_100000749702 [0,2,0,0,0,0|1,0,1]=4 5258 B10R0.91 C=CCCC(=O)NCCSC 240690a_100020590264_100000749702 [0,2,0,0,0,0|1,0,1]=4 5259 B10R0.91 C=CCCC(=O)NCCSC 527a_100020590264_100000749702 [0,2,0,0,0,0|1,0,1]=4 5260 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [0,2,0,0,0,0|2,0,0]=4 5261 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [0,2,0,0,0,0|2,0,0]=4 5262 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [0,2,0,0,0,0|1,1,0]=4 5263 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [0,2,0,0,0,0|1,1,0]=4 5264 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000174002_100000757094 [0,2,0,0,0,0|1,0,0]=3 5265 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000766728_100000751147 [0,2,0,0,0,0|1,0,0]=3 5266 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [0,2,0,0,0,0|1,0,1]=4 5267 B10R0.91 C=CCCNC(=O)CCCC 11a_100015191253_100000210183 [0,2,0,0,0,0|2,0,0]=4 5268 B10R0.91 C=CCCNC(=O)CCCC 1626a_100015191253_100000210183 [0,2,0,0,0,0|2,0,0]=4 5269 B10R0.91 C=CCCNC(=O)CCCC 240690a_100015191253_100000210183 [0,2,0,0,0,0|2,0,0]=4 5270 B10R0.91 C=CCCNC(=O)CCCC 527a_100015191253_100000210183 [0,2,0,0,0,0|2,0,0]=4 5271 B10R0.91 C=CCCNC(=O)CCOC 11a_100015191253_100000749529 [0,2,0,0,0,0|1,1,0]=4 5272 B10R0.91 C=CCCNC(=O)CCOC 1626a_100015191253_100000749529 [0,2,0,0,0,0|1,1,0]=4 5273 B10R0.91 C=CCCNC(=O)CCOC 240690a_100015191253_100000749529 [0,2,0,0,0,0|1,1,0]=4 5274 B10R0.91 C=CCCNC(=O)CCOC 527a_100015191253_100000749529 [0,2,0,0,0,0|1,1,0]=4 5275 B10R0.91 C=CCCNC(=O)CCSC 11a_100015191253_100000174002 [0,2,0,0,0,0|1,0,0]=3 5276 B10R0.91 C=CCCNC(=O)CCSC 1626a_100015191253_100000174002 [0,2,0,0,0,0|1,0,0]=3 5277 B10R0.91 C=CCCNC(=O)CCSC 240690a_100015191253_100000174002 [0,2,0,0,0,0|1,0,0]=3 5278 B10R0.91 C=CCCNC(=O)CCSC 527a_100015191253_100000174002 [0,2,0,0,0,0|1,0,0]=3 5279 B10R0.91 C=CCCNC(=O)COCC 11a_100015191253_100000211967 [0,2,0,0,0,0|1,0,1]=4 5280 B10R0.91 C=CCCNC(=O)COCC 1626a_100015191253_100000211967 [0,2,0,0,0,0|1,0,1]=4 5281 B10R0.91 C=CCCNC(=O)COCC 240690a_100015191253_100000211967 [0,2,0,0,0,0|1,0,1]=4 5282 B10R0.91 C=CCCNC(=O)COCC 527a_100015191253_100000211967 [0,2,0,0,0,0|1,0,1]=4 5283 B10R0.91 C=CCNC(=O)CCCSC 1626a_100020586998_100000173376 [0,2,0,0,0,0|1,0,1]=4 5284 B10R0.91 C=CCNC(=O)CCCSC 240690a_100020586998_100000173376 [0,2,0,0,0,0|1,0,1]=4 5285 B10R0.91 C=CCNC(=O)CCCSC 527a_100020586998_100000173376 [0,2,0,0,0,0|1,0,1]=4 5286 B10R0.91 C=CCNC(=O)CCSCC 1626a_100020586998_100000230768 [0,2,0,0,0,0|1,0,1]=4 5287 B10R0.91 C=CCNC(=O)CCSCC 240690a_100020586998_100000230768 [0,2,0,0,0,0|1,0,1]=4 5288 B10R0.91 C=CCNC(=O)CCSCC 527a_100020586998_100000230768 [0,2,0,0,0,0|1,0,1]=4 5289 B10R0.91 C=CCNC(=O)CCSCC 62a_100000210202_100011222895 [0,2,0,0,0,0|1,0,1]=4 5290 B10R0.91 C=CCNC(=O)CCSCC 62a_100011222895_100000210202 [0,2,0,0,0,0|1,0,1]=4 5291 B10R0.91 C=CCNC(=O)CCSCF 62a_100011222895_100015361967 [0,2,0,0,0,0|1,0,1]=4 5292 B10R0.91 C=CCNC(=O)CCSCF 62a_100015361967_100011222895 [0,2,0,0,0,0|1,0,1]=4 5293 B10R0.91 C=CCNC(=O)CSCSC 62a_100000183597_100011218213 [0,2,0,0,0,0|1,0,1]=4 5294 B10R0.91 C=CCNC(=O)CSCSC 62a_100011218213_100000183597 [0,2,0,0,0,0|1,0,1]=4 5295 B10R0.91 C=CCNC(=O)NCCSC 2708a_100020590264_100020586998 [0,2,0,0,0,0|1,0,1]=4 5296 B10R0.91 C=CCNC(=O)NCCSC 273464a_100020586998_100020590264 [0,2,0,0,0,0|1,0,1]=4 5297 B10R0.91 C=CCNC(=O)NCCSC 273464a_100020590264_100020586998 [0,2,0,0,0,0|1,0,1]=4 5298 B10R0.91 C=CCNC(=O)NCCSC 512a_100020586998_100020590264 [0,2,0,0,0,0|1,0,1]=4 5299 B10R0.91 C=CCNC(=O)NCCSC 512a_100020590264_100020586998 [0,2,0,0,0,0|1,0,1]=4 5300 B10R0.91 C=CCNCC(=O)OCCC 2230a_100020586998_200011215008 [0,2,0,0,0,0|1,0,1]=4 5301 B10R0.91 C=CCNNC(=O)CCSC 22a_100020588587_100000174002 [0,2,0,0,0,0|1,0,1]=4 5302 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [0,2,0,0,0,0|1,0,1]=4 5303 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [0,2,0,0,0,0|1,0,1]=4 5304 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [0,2,0,0,0,0|1,0,1]=4 5305 B10R0.91 C=CCOC(=O)CSCOC 62a_100000033060_100000766300 [0,2,0,0,0,0|0,1,1]=4 5306 B10R0.91 C=CCOC(=O)CSCOC 62a_100000766300_100000033060 [0,2,0,0,0,0|0,1,1]=4 5307 B10R0.91 C=CCOC(=O)CSCSC 62a_100000033060_100011218213 [0,2,0,0,0,0|0,0,1]=3 5308 B10R0.91 C=CCOC(=O)CSCSC 62a_100011218213_100000033060 [0,2,0,0,0,0|0,0,1]=3 5309 B10R0.91 C=CCOCC(=O)OCCC 34a_200000210373_200011215008 [0,2,0,0,0,0|1,0,1]=4 5310 B10R0.91 C=CCSCC(=O)CCSC 1458a_100000230395_100000751147 [0,2,0,0,0,0|0,1,1]=4 5311 B10R0.91 C=CCSCC(=O)OCCC 62a_100000210623_200011215008 [0,2,0,0,0,0|1,0,1]=4 5312 B10R0.91 C=CCSCC(=O)OCCC 62a_200011215008_100000210623 [0,2,0,0,0,0|1,0,1]=4 5313 B10R0.91 C=COCCC(=O)CCSC 1458a_100000174002_100000039644 [0,2,0,0,0,0|0,0,2]=4 5314 B10R0.91 C=COCCC(=O)COCC 1458a_100000211967_100000039644 [0,2,0,0,0,0|0,1,1]=4 5315 B10R0.91 CC#CCC(=O)C=COCC 1458a_100016266692_100000748600 [0,2,0,0,0,0|1,0,1]=4 5316 B10R0.91 CC#CCC(=O)CCCSC 1458a_100000173376_100000748600 [0,2,0,0,0,0|1,0,1]=4 5317 B10R0.91 CC#CCC(=O)CCOCC 1458a_100000749530_100000748600 [0,2,0,0,0,0|1,0,1]=4 5318 B10R0.91 CC#CCC(=O)CCSCC 1458a_100000230768_100000748600 [0,2,0,0,0,0|1,0,1]=4 5319 B10R0.91 CC#CCC(=O)COCCC 1458a_100000745993_100000748600 [0,2,0,0,0,0|1,0,1]=4 5320 B10R0.91 CC#CCC(=O)COCCO 1458a_100000708028_100000748600 [0,2,0,0,0,0|1,0,1]=4 5321 B10R0.91 CC#CCNC(=O)CCCC 11a_100000685387_100000210183 [0,2,0,0,0,0|2,0,0]=4 5322 B10R0.91 CC#CCNC(=O)CCCC 1626a_100000685387_100000210183 [0,2,0,0,0,0|2,0,0]=4 5323 B10R0.91 CC#CCNC(=O)CCCC 527a_100000685387_100000210183 [0,2,0,0,0,0|2,0,0]=4 5324 B10R0.91 CC#CCNC(=O)CCOC 11a_100000685387_100000749529 [0,2,0,0,0,0|1,1,0]=4 5325 B10R0.91 CC#CCNC(=O)CCOC 1626a_100000685387_100000749529 [0,2,0,0,0,0|1,1,0]=4 5326 B10R0.91 CC#CCNC(=O)CCOC 527a_100000685387_100000749529 [0,2,0,0,0,0|1,1,0]=4 5327 B10R0.91 CC#CCNC(=O)CCSC 11a_100000685387_100000174002 [0,2,0,0,0,0|1,0,0]=3 5328 B10R0.91 CC#CCNC(=O)CCSC 1626a_100000685387_100000174002 [0,2,0,0,0,0|1,0,0]=3 5329 B10R0.91 CC#CCNC(=O)CCSC 527a_100000685387_100000174002 [0,2,0,0,0,0|1,0,0]=3 5330 B10R0.91 CC#CCNC(=O)COCC 11a_100000685387_100000211967 [0,2,0,0,0,0|1,0,1]=4 5331 B10R0.91 CC#CCNC(=O)COCC 1626a_100000685387_100000211967 [0,2,0,0,0,0|1,0,1]=4 5332 B10R0.91 CC#CCNC(=O)COCC 527a_100000685387_100000211967 [0,2,0,0,0,0|1,0,1]=4 5333 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [0,2,0,0,0,0|2,0,0]=4 5334 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [0,2,0,0,0,0|1,1,0]=4 5335 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [0,2,0,0,0,0|1,0,0]=3 5336 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [0,2,0,0,0,0|2,0,0]=4 5337 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [0,2,0,0,0,0|1,1,0]=4 5338 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [0,2,0,0,0,0|1,0,0]=3 5339 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [0,2,0,0,0,0|1,0,1]=4 5340 B10R0.91 CC=CCC(=O)C=COCC 1458a_100016266692_100000070051 [0,2,0,0,0,0|1,0,1]=4 5341 B10R0.91 CC=CCC(=O)CCCSC 1458a_100000173376_100000070051 [0,2,0,0,0,0|1,0,1]=4 5342 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [0,2,0,0,0,0|1,0,1]=4 5343 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [0,2,0,0,0,0|1,0,1]=4 5344 B10R0.91 CC=CCC(=O)CCSCC 1458a_100000230768_100000070051 [0,2,0,0,0,0|1,0,1]=4 5345 B10R0.91 CC=CCC(=O)CCSCC 1458a_100121576822_100000757381 [0,2,0,0,0,0|1,0,1]=4 5346 B10R0.91 CC=CCC(=O)COCCC 1458a_100000745993_100000070051 [0,2,0,0,0,0|1,0,1]=4 5347 B10R0.91 CC=CCC(=O)COCCO 1458a_100000708028_100000070051 [0,2,0,0,0,0|1,0,1]=4 5348 B10R0.91 CC=CCC(=O)NCCSC 11a_100020590264_100121576822 [0,2,0,0,0,0|1,0,1]=4 5349 B10R0.91 CC=CCC(=O)NCCSC 1626a_100020590264_100121576822 [0,2,0,0,0,0|1,0,1]=4 5350 B10R0.91 CC=CCC(=O)NCCSC 240690a_100020590264_100121576822 [0,2,0,0,0,0|1,0,1]=4 5351 B10R0.91 CC=CCC(=O)NCCSC 527a_100020590264_100121576822 [0,2,0,0,0,0|1,0,1]=4 5352 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,2,0,0,0,0|2,0,0]=4 5353 B10R0.91 CCC#CC(=O)CCCCF 1458a_100011827653_100000729493 [0,2,0,0,0,0|2,0,0]=4 5354 B10R0.91 CCC#CC(=O)CCCCO 1458a_100011827653_100000210776 [0,2,0,0,0,0|2,0,0]=4 5355 B10R0.91 CCC#CC(=O)CCCOC 1458a_100011827653_100000740836 [0,2,0,0,0,0|1,1,0]=4 5356 B10R0.91 CCC#CC(=O)CCOCC 1458a_100011827653_100011215890 [0,2,0,0,0,0|1,1,0]=4 5357 B10R0.91 CCC#CC(=O)CCSCC 1458a_100011827653_100000757381 [0,2,0,0,0,0|1,0,0]=3 5358 B10R0.91 CCC#CCC(=O)CCCC 1458a_100000210183_100009813939 [0,2,0,0,0,0|2,0,0]=4 5359 B10R0.91 CCC#CCC(=O)CCOC 1458a_100000749529_100009813939 [0,2,0,0,0,0|1,1,0]=4 5360 B10R0.91 CCC#CCC(=O)CCSC 1458a_100000174002_100009813939 [0,2,0,0,0,0|1,0,0]=3 5361 B10R0.91 CCC#CCC(=O)COCC 1458a_100000211967_100009813939 [0,2,0,0,0,0|1,0,1]=4 5362 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,2,0,0,0,0|2,0,0]=4 5363 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [0,2,0,0,0,0|2,0,0]=4 5364 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [0,2,0,0,0,0|2,0,0]=4 5365 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [0,2,0,0,0,0|1,1,0]=4 5366 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [0,2,0,0,0,0|1,1,0]=4 5367 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [0,2,0,0,0,0|1,0,0]=3 5368 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [0,2,0,0,0,0|2,0,0]=4 5369 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [0,2,0,0,0,0|2,0,0]=4 5370 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [0,2,0,0,0,0|2,0,0]=4 5371 B10R0.91 CCC=CC(=O)NCCOC 1626a_100000209980_100000212282 [0,2,0,0,0,0|1,1,0]=4 5372 B10R0.91 CCC=CC(=O)NCCOC 240690a_100000209980_100000212282 [0,2,0,0,0,0|1,1,0]=4 5373 B10R0.91 CCC=CC(=O)NCCSC 11a_100020590264_100000212282 [0,2,0,0,0,0|1,0,0]=3 5374 B10R0.91 CCC=CC(=O)NCCSC 1626a_100020590264_100000212282 [0,2,0,0,0,0|1,0,0]=3 5375 B10R0.91 CCC=CC(=O)NCCSC 240690a_100020590264_100000212282 [0,2,0,0,0,0|1,0,0]=3 5376 B10R0.91 CCC=NNC(=O)CCCC 4a_100000189769_100000210100 [0,2,0,0,0,0|2,0,0]=4 5377 B10R0.91 CCC=NNC(=O)CCOC 4a_100011260505_100000210100 [0,2,0,0,0,0|1,1,0]=4 5378 B10R0.91 CCCC#CC(=O)CCCC 1458a_200011218047_100000210211 [0,2,0,0,0,0|2,0,0]=4 5379 B10R0.91 CCCC#CC(=O)CCOC 1458a_200011218047_100000233755 [0,2,0,0,0,0|1,1,0]=4 5380 B10R0.91 CCCC#CC(=O)CCSC 1458a_200011218047_100000751147 [0,2,0,0,0,0|1,0,0]=3 5381 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [0,2,0,0,0,0|2,0,0]=4 5382 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [0,2,0,0,0,0|1,1,0]=4 5383 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [0,2,0,0,0,0|1,0,0]=3 5384 B10R0.91 CCCCC(=O)C=CCOC 1458a_100016285016_100000210211 [0,2,0,0,0,0|2,0,0]=4 5385 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [0,2,0,0,0,0|1,0,0]=3 5386 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [0,2,0,0,0,0|2,0,0]=4 5387 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [0,2,0,0,0,0|2,0,0]=4 5388 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [0,2,0,0,0,0|2,0,0]=4 5389 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,2,0,0,0,0|2,0,0]=4 5390 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,2,0,0,0,0|2,0,0]=4 5391 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,2,0,0,0,0|1,1,0]=4 5392 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,2,0,0,0,0|1,1,0]=4 5393 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,2,0,0,0,0|1,0,0]=3 5394 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,2,0,0,0,0|1,0,0]=3 5395 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,2,0,0,0,0|1,0,0]=3 5396 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [0,2,0,0,0,0|1,0,0]=3 5397 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [0,2,0,0,0,0|1,0,0]=3 5398 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [0,2,0,0,0,0|1,0,0]=3 5399 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [0,2,0,0,0,0|1,0,0]=3 5400 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [0,2,0,0,0,0|1,1,0]=4 5401 B10R0.91 CCCCC(=O)NCCC#N 11a_100000720768_100000210183 [0,2,0,0,0,0|2,0,0]=4 5402 B10R0.91 CCCCC(=O)NCCC#N 1626a_100000720768_100000210183 [0,2,0,0,0,0|2,0,0]=4 5403 B10R0.91 CCCCC(=O)NCCC#N 240690a_100000720768_100000210183 [0,2,0,0,0,0|2,0,0]=4 5404 B10R0.91 CCCCC(=O)NCCC#N 527a_100000720768_100000210183 [0,2,0,0,0,0|2,0,0]=4 5405 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [0,2,0,0,0,0|2,0,0]=4 5406 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [0,2,0,0,0,0|2,0,0]=4 5407 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [0,2,0,0,0,0|2,0,0]=4 5408 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [0,2,0,0,0,0|2,0,0]=4 5409 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [0,2,0,0,0,0|2,0,0]=4 5410 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [0,2,0,0,0,0|2,0,0]=4 5411 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [0,2,0,0,0,0|1,1,0]=4 5412 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [0,2,0,0,0,0|1,1,0]=4 5413 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [0,2,0,0,0,0|1,1,0]=4 5414 B10R0.91 CCCCC(=O)NCCSC 11a_100020590264_100000210183 [0,2,0,0,0,0|1,0,0]=3 5415 B10R0.91 CCCCC(=O)NCCSC 1626a_100020590264_100000210183 [0,2,0,0,0,0|1,0,0]=3 5416 B10R0.91 CCCCC(=O)NCCSC 240690a_100020590264_100000210183 [0,2,0,0,0,0|1,0,0]=3 5417 B10R0.91 CCCCC(=O)NCCSC 527a_100020590264_100000210183 [0,2,0,0,0,0|1,0,0]=3 5418 B10R0.91 CCCCC(=O)NNCCC 22a_100000740057_100000210183 [0,2,0,0,0,0|2,0,0]=4 5419 B10R0.91 CCCCC(=O)NNCCO 22a_100000210001_100000210183 [0,2,0,0,0,0|2,0,0]=4 5420 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,2,0,0,0,0|2,0,0]=4 5421 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,2,0,0,0,0|2,0,0]=4 5422 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,2,0,0,0,0|2,0,0]=4 5423 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,2,0,0,0,0|2,0,0]=4 5424 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,2,0,0,0,0|1,1,0]=4 5425 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,2,0,0,0,0|1,1,0]=4 5426 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,2,0,0,0,0|1,0,0]=3 5427 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,2,0,0,0,0|1,0,0]=3 5428 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,2,0,0,0,0|2,0,0]=4 5429 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,2,0,0,0,0|1,0,0]=3 5430 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,2,0,0,0,0|1,0,0]=3 5431 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,2,0,0,0,0|1,1,0]=4 5432 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,2,0,0,0,0|1,1,0]=4 5433 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,2,0,0,0,0|1,1,0]=4 5434 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,2,0,0,0,0|2,0,0]=4 5435 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,2,0,0,0,0|2,0,0]=4 5436 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,2,0,0,0,0|2,0,0]=4 5437 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,2,0,0,0,0|2,0,0]=4 5438 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,2,0,0,0,0|2,0,0]=4 5439 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,2,0,0,0,0|2,0,0]=4 5440 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,2,0,0,0,0|2,0,0]=4 5441 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,2,0,0,0,0|2,0,0]=4 5442 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,2,0,0,0,0|2,0,0]=4 5443 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,2,0,0,0,0|2,0,0]=4 5444 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,2,0,0,0,0|2,0,0]=4 5445 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [0,2,0,0,0,0|2,0,0]=4 5446 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [0,2,0,0,0,0|2,0,0]=4 5447 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [0,2,0,0,0,0|2,0,0]=4 5448 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [0,2,0,0,0,0|2,0,0]=4 5449 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [0,2,0,0,0,0|1,1,0]=4 5450 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [0,2,0,0,0,0|1,1,0]=4 5451 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [0,2,0,0,0,0|1,1,0]=4 5452 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [0,2,0,0,0,0|1,1,0]=4 5453 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [0,2,0,0,0,0|1,0,0]=3 5454 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [0,2,0,0,0,0|1,0,0]=3 5455 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [0,2,0,0,0,0|1,0,0]=3 5456 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [0,2,0,0,0,0|1,0,0]=3 5457 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [0,2,0,0,0,0|2,0,0]=4 5458 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [0,2,0,0,0,0|1,0,0]=3 5459 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [0,2,0,0,0,0|1,0,0]=3 5460 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [0,2,0,0,0,0|1,0,0]=3 5461 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [0,2,0,0,0,0|1,0,0]=3 5462 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [0,2,0,0,0,0|1,0,0]=3 5463 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [0,2,0,0,0,0|1,1,0]=4 5464 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [0,2,0,0,0,0|1,1,0]=4 5465 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [0,2,0,0,0,0|1,1,0]=4 5466 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [0,2,0,0,0,0|1,1,0]=4 5467 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [0,2,0,0,0,0|1,1,0]=4 5468 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [0,2,0,0,0,0|1,1,0]=4 5469 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [0,2,0,0,0,0|2,0,0]=4 5470 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [0,2,0,0,0,0|2,0,0]=4 5471 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [0,2,0,0,0,0|2,0,0]=4 5472 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [0,2,0,0,0,0|2,0,0]=4 5473 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [0,2,0,0,0,0|2,0,0]=4 5474 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [0,2,0,0,0,0|2,0,0]=4 5475 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [0,2,0,0,0,0|2,0,0]=4 5476 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [0,2,0,0,0,0|2,0,0]=4 5477 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [0,2,0,0,0,0|2,0,0]=4 5478 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [0,2,0,0,0,0|2,0,0]=4 5479 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [0,2,0,0,0,0|2,0,0]=4 5480 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [0,2,0,0,0,0|2,0,0]=4 5481 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [0,2,0,0,0,0|2,0,0]=4 5482 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [0,2,0,0,0,0|2,0,0]=4 5483 B10R0.91 CCCCNC(=O)NNCC 273464a_100000102301_100000756455 [0,2,0,0,0,0|2,0,0]=4 5484 B10R0.91 CCCCNC(=O)NNCC 512a_100000102301_100000756455 [0,2,0,0,0,0|2,0,0]=4 5485 B10R0.91 CCCCNC(=O)NNCC 512a_100000756455_100000102301 [0,2,0,0,0,0|2,0,0]=4 5486 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [0,2,0,0,0,0|2,0,0]=4 5487 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [0,2,0,0,0,0|1,0,0]=3 5488 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [0,2,0,0,0,0|1,1,0]=4 5489 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [0,2,0,0,0,0|1,1,0]=4 5490 B10R0.91 CCCNC(=O)C=COCC 11a_100020643023_100016266692 [0,2,0,0,0,0|2,0,0]=4 5491 B10R0.91 CCCNC(=O)C=COCC 1626a_100020643023_100016266692 [0,2,0,0,0,0|2,0,0]=4 5492 B10R0.91 CCCNC(=O)C=COCC 240690a_100020643023_100016266692 [0,2,0,0,0,0|2,0,0]=4 5493 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [0,2,0,0,0,0|2,0,0]=4 5494 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [0,2,0,0,0,0|2,0,0]=4 5495 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [0,2,0,0,0,0|2,0,0]=4 5496 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [0,2,0,0,0,0|1,1,0]=4 5497 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [0,2,0,0,0,0|1,1,0]=4 5498 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [0,2,0,0,0,0|1,1,0]=4 5499 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [0,2,0,0,0,0|1,1,0]=4 5500 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [0,2,0,0,0,0|1,0,0]=3 5501 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [0,2,0,0,0,0|1,0,0]=3 5502 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [0,2,0,0,0,0|1,0,0]=3 5503 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [0,2,0,0,0,0|1,0,0]=3 5504 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [0,2,0,0,0,0|1,0,0]=3 5505 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [0,2,0,0,0,0|1,0,0]=3 5506 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [0,2,0,0,0,0|1,0,0]=3 5507 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [0,2,0,0,0,0|1,0,0]=3 5508 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [0,2,0,0,0,0|1,1,0]=4 5509 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [0,2,0,0,0,0|1,1,0]=4 5510 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [0,2,0,0,0,0|1,1,0]=4 5511 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [0,2,0,0,0,0|1,1,0]=4 5512 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [0,2,0,0,0,0|1,0,0]=3 5513 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [0,2,0,0,0,0|1,0,0]=3 5514 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [0,2,0,0,0,0|1,0,0]=3 5515 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [0,2,0,0,0,0|1,0,0]=3 5516 B10R0.91 CCCNC(=O)CNCOC 2230a_100000174927_100000766300 [0,2,0,0,0,0|1,1,0]=4 5517 B10R0.91 CCCNC(=O)CNCSC 2230a_100000174927_100011218213 [0,2,0,0,0,0|1,0,0]=3 5518 B10R0.91 CCCNC(=O)COCCBr 34a_100000211926_100000183358 [0,2,0,0,0,0|2,0,0]=4 5519 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [0,2,0,0,0,0|2,0,0]=4 5520 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [0,2,0,0,0,0|2,0,0]=4 5521 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [0,2,0,0,0,0|2,0,0]=4 5522 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [0,2,0,0,0,0|2,0,0]=4 5523 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [0,2,0,0,0,0|2,0,0]=4 5524 B10R0.91 CCCNC(=O)COCCN 34a_100000210304_100000183358 [0,2,0,0,0,0|2,0,0]=4 5525 B10R0.91 CCCNC(=O)COCCO 1626a_100020643023_100000708028 [0,2,0,0,0,0|2,0,0]=4 5526 B10R0.91 CCCNC(=O)COCCO 240690a_100020643023_100000708028 [0,2,0,0,0,0|2,0,0]=4 5527 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [0,2,0,0,0,0|2,0,0]=4 5528 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [0,2,0,0,0,0|2,0,0]=4 5529 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [0,2,0,0,0,0|2,0,0]=4 5530 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [0,2,0,0,0,0|2,0,0]=4 5531 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [0,2,0,0,0,0|2,0,0]=4 5532 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [0,2,0,0,0,0|2,0,0]=4 5533 B10R0.91 CCCNC(=O)CSCOC 62a_100000183358_100000766300 [0,2,0,0,0,0|1,1,0]=4 5534 B10R0.91 CCCNC(=O)CSCOC 62a_100000766300_100000183358 [0,2,0,0,0,0|1,1,0]=4 5535 B10R0.91 CCCNC(=O)CSCSC 62a_100000183358_100011218213 [0,2,0,0,0,0|1,0,0]=3 5536 B10R0.91 CCCNC(=O)CSCSC 62a_100011218213_100000183358 [0,2,0,0,0,0|1,0,0]=3 5537 B10R0.91 CCCNC(=O)NCCOC 2708a_100020643023_100000209980 [0,2,0,0,0,0|1,1,0]=4 5538 B10R0.91 CCCNC(=O)NCCOC 273464a_100000209980_100020643023 [0,2,0,0,0,0|1,1,0]=4 5539 B10R0.91 CCCNC(=O)NCCOC 273464a_100020643023_100000209980 [0,2,0,0,0,0|1,1,0]=4 5540 B10R0.91 CCCNC(=O)NCCSC 2708a_100020590264_100020643023 [0,2,0,0,0,0|1,0,0]=3 5541 B10R0.91 CCCNC(=O)NCCSC 2708a_100020643023_100020590264 [0,2,0,0,0,0|1,0,0]=3 5542 B10R0.91 CCCNC(=O)NCCSC 273464a_100020590264_100020643023 [0,2,0,0,0,0|1,0,0]=3 5543 B10R0.91 CCCNC(=O)NCCSC 273464a_100020643023_100020590264 [0,2,0,0,0,0|1,0,0]=3 5544 B10R0.91 CCCNC(=O)NCCSC 512a_100020590264_100020643023 [0,2,0,0,0,0|1,0,0]=3 5545 B10R0.91 CCCNC(=O)NCCSC 512a_100020643023_100020590264 [0,2,0,0,0,0|1,0,0]=3 5546 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [0,2,0,0,0,0|2,0,0]=4 5547 B10R0.91 CCCNCC(=O)NCCF 2230a_100000725713_100000210303 [0,2,0,0,0,0|2,0,0]=4 5548 B10R0.91 CCCNN=C(C)CCSC 4a_100000740057_100011217047 [0,2,0,0,0,0|2,0,0]=4 5549 B10R0.91 CCCNNC(=O)CCOC 22a_100000740057_100000749529 [0,2,0,0,0,0|1,1,0]=4 5550 B10R0.91 CCCNNC(=O)CCSC 22a_100000740057_100000174002 [0,2,0,0,0,0|1,0,0]=3 5551 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [0,2,0,0,0,0|2,0,0]=4 5552 B10R0.91 CCCOC(=O)CNCCF 34a_100000724931_200011215008 [0,2,0,0,0,0|2,0,0]=4 5553 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [0,2,0,0,0,0|2,0,0]=4 5554 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [0,2,0,0,0,0|2,0,0]=4 5555 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [0,2,0,0,0,0|2,0,0]=4 5556 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [0,2,0,0,0,0|2,0,0]=4 5557 B10R0.91 CCCOC(=O)CSCC#N 62a_100011215382_200011215008 [0,2,0,0,0,0|2,0,0]=4 5558 B10R0.91 CCCOC(=O)CSCC#N 62a_200011215008_100011215382 [0,2,0,0,0,0|2,0,0]=4 5559 B10R0.91 CCCOC(=O)CSCC=O 62a_200011215008_200015260668 [0,2,0,0,0,0|2,0,0]=4 5560 B10R0.91 CCCOC(=O)CSCC=O 62a_200015260668_200011215008 [0,2,0,0,0,0|2,0,0]=4 5561 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [0,2,0,0,0,0|1,0,0]=3 5562 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [0,2,0,0,0,0|1,0,0]=3 5563 B10R0.91 CCCOC(=O)CSCCF 62a_100011217306_200011215008 [0,2,0,0,0,0|2,0,0]=4 5564 B10R0.91 CCCOC(=O)CSCCF 62a_200011215008_100011217306 [0,2,0,0,0,0|2,0,0]=4 5565 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [0,2,0,0,0,0|2,0,0]=4 5566 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [0,2,0,0,0,0|2,0,0]=4 5567 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [0,2,0,0,0,0|0,1,0]=3 5568 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [0,2,0,0,0,0|0,1,0]=3 5569 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [0,2,0,0,0,0|0,0,0]=2 5570 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [0,2,0,0,0,0|0,0,0]=2 5571 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [0,2,0,0,0,0|1,1,0]=4 5572 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [0,2,0,0,0,0|1,0,0]=3 5573 B10R0.91 CCCOC(=O)OCSCF 62a_100015361967_200000139673 [0,2,0,0,0,0|1,0,0]=3 5574 B10R0.91 CCCOC(C)CNCSC 2230a_100015185124_100011218213 [0,2,0,0,0,0|1,0,1]=4 5575 B10R0.91 CCCOC(C)CNCSC 34a_100015185124_100011218213 [0,2,0,0,0,0|1,0,1]=4 5576 B10R0.91 CCCOCC(=O)CCC#N 1458a_100000745993_100011215226 [0,2,0,0,0,0|2,0,0]=4 5577 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [0,2,0,0,0,0|2,0,0]=4 5578 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,2,0,0,0,0|2,0,0]=4 5579 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,2,0,0,0,0|0,1,0]=3 5580 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [0,2,0,0,0,0|0,0,0]=2 5581 B10R0.91 CCCOCC(=O)NCCF 11a_100000724931_100000745993 [0,2,0,0,0,0|2,0,0]=4 5582 B10R0.91 CCCOCC(=O)NCCF 1626a_100000724931_100000745993 [0,2,0,0,0,0|2,0,0]=4 5583 B10R0.91 CCCOCC(=O)NCCF 240690a_100000724931_100000745993 [0,2,0,0,0,0|2,0,0]=4 5584 B10R0.91 CCCOCC(=O)NCCF 527a_100000724931_100000745993 [0,2,0,0,0,0|2,0,0]=4 5585 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [0,2,0,0,0,0|2,0,0]=4 5586 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [0,2,0,0,0,0|2,0,0]=4 5587 B10R0.91 CCCOCC(=O)NNCC 22a_100000756455_100000745993 [0,2,0,0,0,0|2,0,0]=4 5588 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,2,0,0,0,0|1,0,0]=3 5589 B10R0.91 CCCOC[C@@H](N)CCSC 34a_100011827619_100000210303 [0,2,0,0,0,0|1,0,1]=4 5590 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [0,2,0,0,0,0|2,0,0]=4 5591 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [0,2,0,0,0,0|2,0,0]=4 5592 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [0,2,0,0,0,0|0,2,0]=4 5593 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [0,2,0,0,0,0|0,1,0]=3 5594 B10R0.91 CCCSCC(=O)NCCF 11a_100000724931_100000217233 [0,2,0,0,0,0|2,0,0]=4 5595 B10R0.91 CCCSCC(=O)NCCF 1626a_100000724931_100000217233 [0,2,0,0,0,0|2,0,0]=4 5596 B10R0.91 CCCSCC(=O)NCCF 240690a_100000724931_100000217233 [0,2,0,0,0,0|2,0,0]=4 5597 B10R0.91 CCCSCC(=O)NCCF 527a_100000724931_100000217233 [0,2,0,0,0,0|2,0,0]=4 5598 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [0,2,0,0,0,0|2,0,0]=4 5599 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [0,2,0,0,0,0|2,0,0]=4 5600 B10R0.91 CCCSCC(=O)NNCC 22a_100000756455_100000217233 [0,2,0,0,0,0|2,0,0]=4 5601 B10R0.91 CCNCC(=O)NCCOC 2230a_100000754632_100000210202 [0,2,0,0,0,0|1,1,0]=4 5602 B10R0.91 CCNCC(=O)NCCOC 2230a_100015525214_100000183275 [0,2,0,0,0,0|1,1,0]=4 5603 B10R0.91 CCNCC(=O)OCCOC 2230a_100015525214_200000040189 [0,2,0,0,0,0|1,1,0]=4 5604 B10R0.91 CCNN=C(C)CCCSC 4a_100000756455_100011399439 [0,2,0,0,0,0|2,0,0]=4 5605 B10R0.91 CCNNC(=O)CCCOC 22a_100000756455_100000741012 [0,2,0,0,0,0|1,1,0]=4 5606 B10R0.91 CCNNC(=O)CCCSC 22a_100000756455_100000173376 [0,2,0,0,0,0|1,0,0]=3 5607 B10R0.91 CCNNC(=O)CCOCC 22a_100000756455_100000749530 [0,2,0,0,0,0|1,1,0]=4 5608 B10R0.91 CCNNC(=O)CCSCC 22a_100000756455_100000230768 [0,2,0,0,0,0|1,0,0]=3 5609 B10R0.91 CCNNC(=O)NCCOC 273464a_100000209980_100000756455 [0,2,0,0,0,0|1,1,0]=4 5610 B10R0.91 CCNNC(=O)NCCSC 273464a_100020590264_100000756455 [0,2,0,0,0,0|1,0,0]=3 5611 B10R0.91 CCNNC(=O)NCCSC 512a_100000756455_100020590264 [0,2,0,0,0,0|1,0,0]=3 5612 B10R0.91 CCNNC(=O)NCCSC 512a_100020590264_100000756455 [0,2,0,0,0,0|1,0,0]=3 5613 B10R0.91 CCOC=CC(=O)CCC#N 1458a_100016266692_100011215226 [0,2,0,0,0,0|2,0,0]=4 5614 B10R0.91 CCOC=CC(=O)CCCF 1458a_100016266692_100011934791 [0,2,0,0,0,0|2,0,0]=4 5615 B10R0.91 CCOC=CC(=O)CCCO 1458a_100016266692_100011215043 [0,2,0,0,0,0|2,0,0]=4 5616 B10R0.91 CCOC=CC(=O)CCOC 1458a_100016266692_100000233755 [0,2,0,0,0,0|0,1,0]=3 5617 B10R0.91 CCOC=CC(=O)CCSC 1458a_100016266692_100000751147 [0,2,0,0,0,0|0,0,0]=2 5618 B10R0.91 CCOCC(=O)CC#CCO 1458a_100000211967_200000047223 [0,2,0,0,0,0|1,0,1]=4 5619 B10R0.91 CCOCC(=O)CCCC#N 1458a_100000211967_100000211468 [0,2,0,0,0,0|1,0,1]=4 5620 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [0,2,0,0,0,0|1,0,0]=3 5621 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [0,2,0,0,0,0|1,0,0]=3 5622 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [0,2,0,0,0,0|0,1,0]=3 5623 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [0,2,0,0,0,0|0,0,0]=2 5624 B10R0.91 CCOCC(=O)NCCC#N 11a_100000720768_100000211967 [0,2,0,0,0,0|2,0,0]=4 5625 B10R0.91 CCOCC(=O)NCCC#N 1626a_100000720768_100000211967 [0,2,0,0,0,0|2,0,0]=4 5626 B10R0.91 CCOCC(=O)NCCC#N 240690a_100000720768_100000211967 [0,2,0,0,0,0|2,0,0]=4 5627 B10R0.91 CCOCC(=O)NCCC#N 527a_100000720768_100000211967 [0,2,0,0,0,0|2,0,0]=4 5628 B10R0.91 CCOCC(=O)NCCCF 11a_100015189416_100000211967 [0,2,0,0,0,0|2,0,0]=4 5629 B10R0.91 CCOCC(=O)NCCCF 1626a_100015189416_100000211967 [0,2,0,0,0,0|2,0,0]=4 5630 B10R0.91 CCOCC(=O)NCCCF 240690a_100015189416_100000211967 [0,2,0,0,0,0|2,0,0]=4 5631 B10R0.91 CCOCC(=O)NCCCF 527a_100015189416_100000211967 [0,2,0,0,0,0|2,0,0]=4 5632 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [0,2,0,0,0,0|2,0,0]=4 5633 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [0,2,0,0,0,0|2,0,0]=4 5634 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [0,2,0,0,0,0|0,1,0]=3 5635 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [0,2,0,0,0,0|0,1,0]=3 5636 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [0,2,0,0,0,0|0,1,0]=3 5637 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [0,2,0,0,0,0|0,1,0]=3 5638 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [0,2,0,0,0,0|0,0,0]=2 5639 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [0,2,0,0,0,0|0,0,0]=2 5640 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [0,2,0,0,0,0|0,0,0]=2 5641 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [0,2,0,0,0,0|0,0,0]=2 5642 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [0,2,0,0,0,0|0,1,0]=3 5643 B10R0.91 CCOCC(C)OCCSC 34a_100000718985_100000212216 [0,2,0,0,0,0|1,0,1]=4 5644 B10R0.91 CCOCC(C)OCCSC 7a_100000718985_100000212216 [0,2,0,0,0,0|1,0,1]=4 5645 B10R0.91 CCOCC(O)CNCSC 2230a_102515437182_100011218213 [0,2,0,0,0,0|0,0,2]=4 5646 B10R0.91 CCOCC(O)CNCSC 34a_102515437182_100011218213 [0,2,0,0,0,0|0,0,2]=4 5647 B10R0.91 CCOCCC(=O)CCC#N 1458a_100000749530_100011215226 [0,2,0,0,0,0|2,0,0]=4 5648 B10R0.91 CCOCCC(=O)CCC#N 1458a_100011934036_100011215890 [0,2,0,0,0,0|2,0,0]=4 5649 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [0,2,0,0,0,0|1,1,0]=4 5650 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,2,0,0,0,0|1,1,0]=4 5651 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [0,2,0,0,0,0|0,1,0]=3 5652 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [0,2,0,0,0,0|0,1,0]=3 5653 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [0,2,0,0,0,0|0,0,0]=2 5654 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [0,2,0,0,0,0|0,0,0]=2 5655 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [0,2,0,0,0,0|0,1,0]=3 5656 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [0,2,0,0,0,0|0,2,0]=4 5657 B10R0.91 CCOCCC(=O)NCCF 11a_100000724931_100000749530 [0,2,0,0,0,0|1,1,0]=4 5658 B10R0.91 CCOCCC(=O)NCCF 1626a_100000724931_100000749530 [0,2,0,0,0,0|1,1,0]=4 5659 B10R0.91 CCOCCC(=O)NCCF 240690a_100000724931_100000749530 [0,2,0,0,0,0|1,1,0]=4 5660 B10R0.91 CCOCCC(=O)NCCF 527a_100000724931_100000749530 [0,2,0,0,0,0|1,1,0]=4 5661 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [0,2,0,0,0,0|1,1,0]=4 5662 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [0,2,0,0,0,0|1,1,0]=4 5663 B10R0.91 CCOCCN(C)CCSC 2230a_100000686725_100011215890 [0,2,0,0,0,0|2,0,0]=4 5664 B10R0.91 CCOCCN(C)CCSC 269982a_100000686725_100011215890 [0,2,0,0,0,0|2,0,0]=4 5665 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [0,2,0,0,0,0|1,1,0]=4 5666 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [0,2,0,0,0,0|1,1,0]=4 5667 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [0,2,0,0,0,0|0,2,0]=4 5668 B10R0.91 CCSCC(=O)NCCOC 1626a_100000209980_100000230394 [0,2,0,0,0,0|0,2,0]=4 5669 B10R0.91 CCSCC(=O)NCCOC 240690a_100000209980_100000230394 [0,2,0,0,0,0|0,2,0]=4 5670 B10R0.91 CCSCC(=O)NCCOC 527a_100000209980_100000230394 [0,2,0,0,0,0|0,2,0]=4 5671 B10R0.91 CCSCC(=O)NCCOC 62a_100000183275_100000210202 [0,2,0,0,0,0|0,2,0]=4 5672 B10R0.91 CCSCC(=O)NCCOC 62a_100000210202_100000183275 [0,2,0,0,0,0|0,2,0]=4 5673 B10R0.91 CCSCC(=O)NCCSC 11a_100020590264_100000230394 [0,2,0,0,0,0|0,1,0]=3 5674 B10R0.91 CCSCC(=O)NCCSC 1626a_100020590264_100000230394 [0,2,0,0,0,0|0,1,0]=3 5675 B10R0.91 CCSCC(=O)NCCSC 240690a_100020590264_100000230394 [0,2,0,0,0,0|0,1,0]=3 5676 B10R0.91 CCSCC(=O)NCCSC 527a_100020590264_100000230394 [0,2,0,0,0,0|0,1,0]=3 5677 B10R0.91 CCSCC(=O)OCCOC 62a_100000210202_200000040189 [0,2,0,0,0,0|0,2,0]=4 5678 B10R0.91 CCSCC(=O)OCCOC 62a_200000040189_100000210202 [0,2,0,0,0,0|0,2,0]=4 5679 B10R0.91 CCSCCC(=O)C#CCO 1458a_100000049017_100000757381 [0,2,0,0,0,0|1,0,1]=4 5680 B10R0.91 CCSCCC(=O)C=COC 1458a_100016268678_100000757381 [0,2,0,0,0,0|1,0,1]=4 5681 B10R0.91 CCSCCC(=O)CCC#N 1458a_100000230768_100011215226 [0,2,0,0,0,0|1,0,1]=4 5682 B10R0.91 CCSCCC(=O)CCC#N 1458a_100011934036_100000757381 [0,2,0,0,0,0|1,0,1]=4 5683 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [0,2,0,0,0,0|1,0,0]=3 5684 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [0,2,0,0,0,0|1,0,0]=3 5685 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [0,2,0,0,0,0|1,0,0]=3 5686 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [0,2,0,0,0,0|1,0,0]=3 5687 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [0,2,0,0,0,0|0,1,0]=3 5688 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [0,2,0,0,0,0|0,1,0]=3 5689 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [0,2,0,0,0,0|0,1,0]=3 5690 B10R0.91 CCSCCC(=O)NCC#N 1626a_100000734998_100000230768 [0,2,0,0,0,0|1,0,1]=4 5691 B10R0.91 CCSCCC(=O)NCC#N 527a_100000734998_100000230768 [0,2,0,0,0,0|1,0,1]=4 5692 B10R0.91 CCSCCC(=O)NCCF 11a_100000724931_100000230768 [0,2,0,0,0,0|1,0,0]=3 5693 B10R0.91 CCSCCC(=O)NCCF 1626a_100000724931_100000230768 [0,2,0,0,0,0|1,0,0]=3 5694 B10R0.91 CCSCCC(=O)NCCF 240690a_100000724931_100000230768 [0,2,0,0,0,0|1,0,0]=3 5695 B10R0.91 CCSCCC(=O)NCCF 527a_100000724931_100000230768 [0,2,0,0,0,0|1,0,0]=3 5696 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [0,2,0,0,0,0|1,0,0]=3 5697 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [0,2,0,0,0,0|1,0,0]=3 5698 B10R0.91 COC=CC(=O)NCCSC 1626a_100020590264_100016268678 [0,2,0,0,0,0|1,0,1]=4 5699 B10R0.91 COC=CC(=O)NCCSC 240690a_100020590264_100016268678 [0,2,0,0,0,0|1,0,1]=4 5700 B10R0.91 COCC=CC(=O)CCOC 1458a_100016285016_100000233755 [0,2,0,0,0,0|1,1,0]=4 5701 B10R0.91 COCC=CC(=O)CCSC 1458a_100016285016_100000751147 [0,2,0,0,0,0|1,0,0]=3 5702 B10R0.91 COCCC(=O)CCCC#N 1458a_100000075515_100000233755 [0,2,0,0,0,0|1,1,0]=4 5703 B10R0.91 COCCC(=O)CCCC#N 1458a_100000749529_100000211468 [0,2,0,0,0,0|1,1,0]=4 5704 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [0,2,0,0,0,0|1,1,0]=4 5705 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [0,2,0,0,0,0|1,1,0]=4 5706 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [0,2,0,0,0,0|1,1,0]=4 5707 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [0,2,0,0,0,0|1,0,0]=3 5708 B10R0.91 COCCC(=O)COCCO 1458a_100000708028_100000233755 [0,2,0,0,0,0|0,1,0]=3 5709 B10R0.91 COCCC(=O)NCCC#N 11a_100000720768_100000749529 [0,2,0,0,0,0|1,1,0]=4 5710 B10R0.91 COCCC(=O)NCCC#N 1626a_100000720768_100000749529 [0,2,0,0,0,0|1,1,0]=4 5711 B10R0.91 COCCC(=O)NCCC#N 240690a_100000720768_100000749529 [0,2,0,0,0,0|1,1,0]=4 5712 B10R0.91 COCCC(=O)NCCC#N 527a_100000720768_100000749529 [0,2,0,0,0,0|1,1,0]=4 5713 B10R0.91 COCCC(=O)NCCCF 11a_100015189416_100000749529 [0,2,0,0,0,0|1,1,0]=4 5714 B10R0.91 COCCC(=O)NCCCF 1626a_100015189416_100000749529 [0,2,0,0,0,0|1,1,0]=4 5715 B10R0.91 COCCC(=O)NCCCF 240690a_100015189416_100000749529 [0,2,0,0,0,0|1,1,0]=4 5716 B10R0.91 COCCC(=O)NCCCF 527a_100015189416_100000749529 [0,2,0,0,0,0|1,1,0]=4 5717 B10R0.91 COCCC(=O)NCCCO 240690a_100000182051_100000749529 [0,2,0,0,0,0|1,1,0]=4 5718 B10R0.91 COCCC(=O)NCCCO 527a_100000182051_100000749529 [0,2,0,0,0,0|1,1,0]=4 5719 B10R0.91 COCCC(=O)NCCSC 11a_100020590264_100000749529 [0,2,0,0,0,0|1,0,0]=3 5720 B10R0.91 COCCC(=O)NCCSC 1626a_100020590264_100000749529 [0,2,0,0,0,0|1,0,0]=3 5721 B10R0.91 COCCC(=O)NCCSC 240690a_100020590264_100000749529 [0,2,0,0,0,0|1,0,0]=3 5722 B10R0.91 COCCC(=O)NCCSC 527a_100020590264_100000749529 [0,2,0,0,0,0|1,0,0]=3 5723 B10R0.91 COCCC(=O)NNCCO 22a_100000210001_100000749529 [0,2,0,0,0,0|1,1,0]=4 5724 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [0,2,0,0,0,0|1,1,0]=4 5725 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [0,2,0,0,0,0|1,1,0]=4 5726 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [0,2,0,0,0,0|1,1,0]=4 5727 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [0,2,0,0,0,0|1,1,0]=4 5728 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [0,2,0,0,0,0|1,0,0]=3 5729 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [0,2,0,0,0,0|1,0,0]=3 5730 B10R0.91 COCCCC(=O)NCCF 11a_100000724931_100000741012 [0,2,0,0,0,0|1,1,0]=4 5731 B10R0.91 COCCCC(=O)NCCF 1626a_100000724931_100000741012 [0,2,0,0,0,0|1,1,0]=4 5732 B10R0.91 COCCCC(=O)NCCF 240690a_100000724931_100000741012 [0,2,0,0,0,0|1,1,0]=4 5733 B10R0.91 COCCCC(=O)NCCF 527a_100000724931_100000741012 [0,2,0,0,0,0|1,1,0]=4 5734 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [0,2,0,0,0,0|1,1,0]=4 5735 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [0,2,0,0,0,0|1,1,0]=4 5736 B10R0.91 COCCNC(=O)CCOC 1626a_100000209980_100000749529 [0,2,0,0,0,0|1,1,0]=4 5737 B10R0.91 COCCNC(=O)CCOC 240690a_100000209980_100000749529 [0,2,0,0,0,0|1,1,0]=4 5738 B10R0.91 COCCNC(=O)CCOC 527a_100000209980_100000749529 [0,2,0,0,0,0|1,1,0]=4 5739 B10R0.91 COCCNC(=O)CCSC 1626a_100000209980_100000174002 [0,2,0,0,0,0|1,0,0]=3 5740 B10R0.91 COCCNC(=O)CCSC 240690a_100000209980_100000174002 [0,2,0,0,0,0|1,0,0]=3 5741 B10R0.91 COCCNC(=O)CCSC 527a_100000209980_100000174002 [0,2,0,0,0,0|1,0,0]=3 5742 B10R0.91 COCCNC(=O)NCCF 273464a_100000209980_100000724931 [0,2,0,0,0,0|1,1,0]=4 5743 B10R0.91 COCCNC(=O)NCCF 273464a_100000724931_100000209980 [0,2,0,0,0,0|1,1,0]=4 5744 B10R0.91 COCCNC(=O)NCCO 273464a_100000209980_100000210304 [0,2,0,0,0,0|1,1,0]=4 5745 B10R0.91 COCCNC(=O)NCCO 273464a_100000210304_100000209980 [0,2,0,0,0,0|1,1,0]=4 5746 B10R0.91 COCNCC(=O)NCCF 2230a_100000725713_100000766300 [0,2,0,0,0,0|1,1,0]=4 5747 B10R0.91 COCO[C@H](C)COCSC 34a_100016172286_100011218213 [0,2,0,0,0,0|1,0,1]=4 5748 B10R0.91 CSCCC(=NNCCO)C 4a_100000210001_100011217047 [0,2,0,0,0,0|2,0,0]=4 5749 B10R0.91 CSCCC(=O)CC#CCO 1458a_100000174002_200000047223 [0,2,0,0,0,0|1,0,1]=4 5750 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000075515_100000751147 [0,2,0,0,0,0|1,0,0]=3 5751 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000174002_100000211468 [0,2,0,0,0,0|1,0,0]=3 5752 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [0,2,0,0,0,0|1,0,0]=3 5753 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [0,2,0,0,0,0|1,0,0]=3 5754 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [0,2,0,0,0,0|1,0,0]=3 5755 B10R0.91 CSCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000751147 [0,2,0,0,0,0|2,0,0]=4 5756 B10R0.91 CSCCC(=O)COCCO 1458a_100000708028_100000751147 [0,2,0,0,0,0|0,0,0]=2 5757 B10R0.91 CSCCC(=O)CSCC#N 1458a_100000150266_100000751147 [0,2,0,0,0,0|0,1,1]=4 5758 B10R0.91 CSCCC(=O)NCCC#N 11a_100000720768_100000174002 [0,2,0,0,0,0|1,0,0]=3 5759 B10R0.91 CSCCC(=O)NCCC#N 1626a_100000720768_100000174002 [0,2,0,0,0,0|1,0,0]=3 5760 B10R0.91 CSCCC(=O)NCCC#N 240690a_100000720768_100000174002 [0,2,0,0,0,0|1,0,0]=3 5761 B10R0.91 CSCCC(=O)NCCC#N 527a_100000720768_100000174002 [0,2,0,0,0,0|1,0,0]=3 5762 B10R0.91 CSCCC(=O)NCCCF 11a_100015189416_100000174002 [0,2,0,0,0,0|1,0,0]=3 5763 B10R0.91 CSCCC(=O)NCCCF 1626a_100015189416_100000174002 [0,2,0,0,0,0|1,0,0]=3 5764 B10R0.91 CSCCC(=O)NCCCF 240690a_100015189416_100000174002 [0,2,0,0,0,0|1,0,0]=3 5765 B10R0.91 CSCCC(=O)NCCCF 527a_100015189416_100000174002 [0,2,0,0,0,0|1,0,0]=3 5766 B10R0.91 CSCCC(=O)NCCCO 240690a_100000182051_100000174002 [0,2,0,0,0,0|1,0,0]=3 5767 B10R0.91 CSCCC(=O)NCCCO 527a_100000182051_100000174002 [0,2,0,0,0,0|1,0,0]=3 5768 B10R0.91 CSCCC(=O)NNCCO 22a_100000210001_100000174002 [0,2,0,0,0,0|1,0,0]=3 5769 B10R0.91 CSCCCC(=O)CCC#N 1458a_100000173376_100011215226 [0,2,0,0,0,0|1,0,1]=4 5770 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [0,2,0,0,0,0|1,0,0]=3 5771 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [0,2,0,0,0,0|1,0,0]=3 5772 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [0,2,0,0,0,0|1,0,0]=3 5773 B10R0.91 CSCCCC(=O)NCC#N 1626a_100000734998_100000173376 [0,2,0,0,0,0|1,0,1]=4 5774 B10R0.91 CSCCCC(=O)NCC#N 527a_100000734998_100000173376 [0,2,0,0,0,0|1,0,1]=4 5775 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [0,2,0,0,0,0|1,0,0]=3 5776 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [0,2,0,0,0,0|1,0,0]=3 5777 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [0,2,0,0,0,0|1,0,0]=3 5778 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [0,2,0,0,0,0|1,0,0]=3 5779 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [0,2,0,0,0,0|1,0,0]=3 5780 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [0,2,0,0,0,0|1,0,0]=3 5781 B10R0.91 CSCCNC(=O)CCC#N 11a_100020590264_100011934036 [0,2,0,0,0,0|1,0,1]=4 5782 B10R0.91 CSCCNC(=O)CCC#N 1626a_100020590264_100011934036 [0,2,0,0,0,0|1,0,1]=4 5783 B10R0.91 CSCCNC(=O)CCC#N 240690a_100020590264_100011934036 [0,2,0,0,0,0|1,0,1]=4 5784 B10R0.91 CSCCNC(=O)CCC#N 527a_100020590264_100011934036 [0,2,0,0,0,0|1,0,1]=4 5785 B10R0.91 CSCCNC(=O)CCSC 11a_100020590264_100000174002 [0,2,0,0,0,0|1,0,0]=3 5786 B10R0.91 CSCCNC(=O)CCSC 1626a_100020590264_100000174002 [0,2,0,0,0,0|1,0,0]=3 5787 B10R0.91 CSCCNC(=O)CCSC 240690a_100020590264_100000174002 [0,2,0,0,0,0|1,0,0]=3 5788 B10R0.91 CSCCNC(=O)CCSC 527a_100020590264_100000174002 [0,2,0,0,0,0|1,0,0]=3 5789 B10R0.91 CSCCNC(=O)NCC#N 2708a_100000734998_100020590264 [0,2,0,0,0,0|1,0,1]=4 5790 B10R0.91 CSCCNC(=O)NCC#N 273464a_100000734998_100020590264 [0,2,0,0,0,0|1,0,1]=4 5791 B10R0.91 CSCCNC(=O)NCC#N 273464a_100020590264_100000734998 [0,2,0,0,0,0|1,0,1]=4 5792 B10R0.91 CSCCNC(=O)NCC#N 512a_100000734998_100020590264 [0,2,0,0,0,0|1,0,1]=4 5793 B10R0.91 CSCCNC(=O)NCC#N 512a_100020590264_100000734998 [0,2,0,0,0,0|1,0,1]=4 5794 B10R0.91 CSCCNC(=O)NCCF 2708a_100020590264_100000724931 [0,2,0,0,0,0|1,0,0]=3 5795 B10R0.91 CSCCNC(=O)NCCF 273464a_100000724931_100020590264 [0,2,0,0,0,0|1,0,0]=3 5796 B10R0.91 CSCCNC(=O)NCCF 273464a_100020590264_100000724931 [0,2,0,0,0,0|1,0,0]=3 5797 B10R0.91 CSCCNC(=O)NCCF 512a_100020590264_100000724931 [0,2,0,0,0,0|1,0,0]=3 5798 B10R0.91 CSCCNC(=O)NCCO 2708a_100020590264_100000210304 [0,2,0,0,0,0|1,0,0]=3 5799 B10R0.91 CSCCNC(=O)NCCO 273464a_100000210304_100020590264 [0,2,0,0,0,0|1,0,0]=3 5800 B10R0.91 CSCCNC(=O)NCCO 273464a_100020590264_100000210304 [0,2,0,0,0,0|1,0,0]=3 5801 B10R0.91 CSCCNC(=O)NCCO 512a_100020590264_100000210304 [0,2,0,0,0,0|1,0,0]=3 5802 B10R0.91 CSCC[C@H](N)COCCF 34a_100011827619_100011217306 [0,2,0,0,0,0|1,0,1]=4 5803 B10R0.91 CSCC[C@H](N)COCCO 34a_100011827619_100000211926 [0,2,0,0,0,0|1,0,1]=4 5804 B10R0.91 CSCC[C@H](N)COCSC 34a_100011827619_100011218213 [0,2,0,0,0,0|1,0,1]=4 5805 B10R0.91 CSCNCC(=O)NCCF 2230a_100000725713_100011218213 [0,2,0,0,0,0|1,0,0]=3 5806 B10R0.91 CSCSCC(=O)NCC#N 62a_100000736037_100011218213 [0,2,0,0,0,0|1,0,1]=4 5807 B10R0.91 CSCSCC(=O)NCC#N 62a_100011218213_100000736037 [0,2,0,0,0,0|1,0,1]=4 5808 B10R0.91 N#CCCC(=O)COCCO 1458a_100000708028_100011215226 [0,2,0,0,0,0|2,0,0]=4 5809 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [0,2,0,0,0,0|2,0,0]=4 5810 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [0,2,0,0,0,0|2,0,0]=4 5811 B10R0.91 O=C(CCCF)COCCO 1458a_100000708028_100011934791 [0,2,0,0,0,0|2,0,0]=4 5812 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [0,2,0,0,0,0|2,0,0]=4 5813 B10R0.91 O=C(CCCO)COCCO 1458a_100000708028_100011215043 [0,2,0,0,0,0|2,0,0]=4 5814 B10R0.108 C#CC(C)NCC(=O)OCC 2230a_100000707721_100000188475 [0,2,0,0,0,0|1,0,1]=4 5815 B10R0.108 C#CC(C)NCC(=O)OCC 34a_100000707721_100000188475 [0,2,0,0,0,0|1,0,1]=4 5816 B10R0.108 C#CC(C)SCC(=O)OCC 62a_200000035995_100000188475 [0,2,0,0,0,0|1,0,1]=4 5817 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 34a_100009815206_100000188475 [0,2,0,0,0,0|1,0,1]=4 5818 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 7a_100009815206_100000188475 [0,2,0,0,0,0|1,0,1]=4 5819 B10R0.108 C=CC(C)OCC(=O)OCC 34a_100000695699_100000188475 [0,2,0,0,0,0|1,0,1]=4 5820 B10R0.108 C=CC(C)SCC(=O)OCC 62a_100011215867_100000188475 [0,2,0,0,0,0|1,0,1]=4 5821 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,2,0,0,0,0|2,0,0]=4 5822 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,2,0,0,0,0|1,1,0]=4 5823 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,2,0,0,0,0|2,0,0]=4 5824 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [0,2,0,0,0,0|2,0,0]=4 5825 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [0,2,0,0,0,0|1,0,1]=4 5826 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [0,2,0,0,0,0|2,0,0]=4 5827 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [0,2,0,0,0,0|2,0,0]=4 5828 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [0,2,0,0,0,0|2,0,0]=4 5829 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [0,2,0,0,0,0|2,0,0]=4 5830 B10R0.108 CCCC(=O)CSC(C)OC 62a_100000747444_100009879195 [0,2,0,0,0,0|1,1,0]=4 5831 B10R0.108 CCCC(=O)CSC(C)OC 62a_100009879195_100000747444 [0,2,0,0,0,0|1,1,0]=4 5832 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [0,2,0,0,0,0|2,0,0]=4 5833 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [0,2,0,0,0,0|2,0,0]=4 5834 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [0,2,0,0,0,0|2,0,0]=4 5835 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [0,2,0,0,0,0|2,0,0]=4 5836 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [0,2,0,0,0,0|2,0,0]=4 5837 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [0,2,0,0,0,0|2,0,0]=4 5838 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [0,2,0,0,0,0|2,0,0]=4 5839 B10R0.108 CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211992 [0,2,0,0,0,0|1,1,0]=4 5840 B10R0.108 CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211992 [0,2,0,0,0,0|1,1,0]=4 5841 B10R0.108 CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211992 [0,2,0,0,0,0|1,1,0]=4 5842 B10R0.108 CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211992 [0,2,0,0,0,0|1,1,0]=4 5843 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,2,0,0,0,0|2,0,0]=4 5844 B10R0.108 CCNC(=O)CCC(=O)CF 1458a_100000199579_100015361967 [0,2,0,0,0,0|2,0,0]=4 5845 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [0,2,0,0,0,0|2,0,0]=4 5846 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [0,2,0,0,0,0|2,0,0]=4 5847 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [0,2,0,0,0,0|2,0,0]=4 5848 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [0,2,0,0,0,0|2,0,0]=4 5849 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [0,2,0,0,0,0|2,0,0]=4 5850 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [0,2,0,0,0,0|2,0,0]=4 5851 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,2,0,0,0,0|1,1,0]=4 5852 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,2,0,0,0,0|1,1,0]=4 5853 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,2,0,0,0,0|1,1,0]=4 5854 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,2,0,0,0,0|2,0,0]=4 5855 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,2,0,0,0,0|2,0,0]=4 5856 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,2,0,0,0,0|2,0,0]=4 5857 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,2,0,0,0,0|2,0,0]=4 5858 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [0,2,0,0,0,0|2,0,0]=4 5859 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [0,2,0,0,0,0|2,0,0]=4 5860 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [0,2,0,0,0,0|2,0,0]=4 5861 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [0,2,0,0,0,0|1,0,1]=4 5862 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [0,2,0,0,0,0|1,0,1]=4 5863 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [0,2,0,0,0,0|1,0,1]=4 5864 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [0,2,0,0,0,0|2,0,0]=4 5865 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [0,2,0,0,0,0|2,0,0]=4 5866 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [0,2,0,0,0,0|2,0,0]=4 5867 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [0,2,0,0,0,0|2,0,0]=4 5868 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [0,2,0,0,0,0|2,0,0]=4 5869 B10R0.108 CCNC(=O)CSC(C)OC 62a_100000183381_100009879195 [0,2,0,0,0,0|1,1,0]=4 5870 B10R0.108 CCNC(=O)CSC(C)OC 62a_100009879195_100000183381 [0,2,0,0,0,0|1,1,0]=4 5871 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [0,2,0,0,0,0|2,0,0]=4 5872 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [0,2,0,0,0,0|2,0,0]=4 5873 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [0,2,0,0,0,0|2,0,0]=4 5874 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [0,2,0,0,0,0|2,0,0]=4 5875 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [0,2,0,0,0,0|2,0,0]=4 5876 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [0,2,0,0,0,0|2,0,0]=4 5877 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [0,2,0,0,0,0|2,0,0]=4 5878 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [0,2,0,0,0,0|2,0,0]=4 5879 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [0,2,0,0,0,0|2,0,0]=4 5880 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [0,2,0,0,0,0|2,0,0]=4 5881 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100015525214_100020591295 [0,2,0,0,0,0|1,1,0]=4 5882 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100015525214 [0,2,0,0,0,0|1,1,0]=4 5883 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100015525214_100020591295 [0,2,0,0,0,0|1,1,0]=4 5884 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100015525214 [0,2,0,0,0,0|1,1,0]=4 5885 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100015525214_100020591295 [0,2,0,0,0,0|1,1,0]=4 5886 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100020591295_100015525214 [0,2,0,0,0,0|1,1,0]=4 5887 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,2,0,0,0,0|1,0,0]=3 5888 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,2,0,0,0,0|1,0,0]=3 5889 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,2,0,0,0,0|1,0,0]=3 5890 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,2,0,0,0,0|1,0,0]=3 5891 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,2,0,0,0,0|1,0,0]=3 5892 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,2,0,0,0,0|1,0,0]=3 5893 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,2,0,0,0,0|1,0,0]=3 5894 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,2,0,0,0,0|1,0,0]=3 5895 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,2,0,0,0,0|0,1,0]=3 5896 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,2,0,0,0,0|0,0,0]=2 5897 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,2,0,0,0,0|0,0,0]=2 5898 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,2,0,0,0,0|0,0,0]=2 5899 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,2,0,0,0,0|0,0,0]=2 5900 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,2,0,0,0,0|1,0,0]=3 5901 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,2,0,0,0,0|1,0,0]=3 5902 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,2,0,0,0,0|1,0,0]=3 5903 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,2,0,0,0,0|1,0,0]=3 5904 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,2,0,0,0,0|1,0,0]=3 5905 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,2,0,0,0,0|1,0,0]=3 5906 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [0,2,0,0,0,0|1,0,0]=3 5907 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,2,0,0,0,0|1,0,0]=3 5908 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,2,0,0,0,0|1,0,0]=3 5909 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,2,0,0,0,0|1,0,1]=4 5910 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [0,2,0,0,0,0|2,0,0]=4 5911 B10R0.108 CCOC(=O)CNC(C)C#N 2230a_100000737613_100000188475 [0,2,0,0,0,0|2,0,0]=4 5912 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,2,0,0,0,0|1,0,0]=3 5913 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [0,2,0,0,0,0|2,0,0]=4 5914 B10R0.108 CCOC(=O)COC(C)C#N 34a_100011218135_100000188475 [0,2,0,0,0,0|2,0,0]=4 5915 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,2,0,0,0,0|1,0,0]=3 5916 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [0,2,0,0,0,0|2,0,0]=4 5917 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [0,2,0,0,0,0|2,0,0]=4 5918 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [0,2,0,0,0,0|2,0,0]=4 5919 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000188475_100000703298 [0,2,0,0,0,0|2,0,0]=4 5920 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000703298_100000188475 [0,2,0,0,0,0|2,0,0]=4 5921 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,2,0,0,0,0|1,0,0]=3 5922 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,2,0,0,0,0|1,0,0]=3 5923 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [0,2,0,0,0,0|2,0,0]=4 5924 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [0,2,0,0,0,0|0,1,0]=3 5925 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [0,2,0,0,0,0|0,1,0]=3 5926 B10R0.108 CCOC(=O)CSC(F)C#N 62a_100000188475_200000117898 [0,2,0,0,0,0|2,0,0]=4 5927 B10R0.108 CCOC(=O)CSC(F)C#N 62a_200000117898_100000188475 [0,2,0,0,0,0|2,0,0]=4 5928 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [0,2,0,0,0,0|2,0,0]=4 5929 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [0,2,0,0,0,0|2,0,0]=4 5930 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,2,0,0,0,0|1,0,1]=4 5931 B10R0.108 CCOC(=O)NCC(=O)CF 1458a_100000190774_100015361967 [0,2,0,0,0,0|2,0,0]=4 5932 B10R0.108 CCOC(=O)NCC(=O)NC 11a_106832991635_100000190774 [0,2,0,0,0,0|1,0,1]=4 5933 B10R0.108 CCOC(=O)NCC(=O)NC 1626a_100102657272_100000190774 [0,2,0,0,0,0|1,0,1]=4 5934 B10R0.108 CCOC(=O)NCC(=O)NC 240690a_100102657272_100000190774 [0,2,0,0,0,0|1,0,1]=4 5935 B10R0.108 CCOC(=O)NCC(=O)NC 527a_100102657272_100000190774 [0,2,0,0,0,0|1,0,1]=4 5936 B10R0.156 CCCS(=O)(=O)NCCSC 270084a_100020590264_100000211391 [0,2,0,0,0,0|2,0,0]=4 5937 B10R0.156 CCCS(=O)(=O)NCCSC 274078a_100020590264_100000211391 [0,2,0,0,0,0|2,0,0]=4 5938 B10R0.156 CCCS(=O)(=O)NCCSC 40a_100020590264_100000054278 [0,2,0,0,0,0|2,0,0]=4 5939 B10R0.156 CCO[Si](C)(C)CCCSC 62a_100000070546_200000210301 [0,2,0,0,0,0|1,1,0]=4 5940 B10R0.156 CCO[Si](C)(C)CCCSC 62a_200000210301_100000070546 [0,2,0,0,0,0|1,1,0]=4 5941 B10R0.156 CCO[Si](C)(C)CCCS[13CH3] 62a_100000070546_200025704644 [0,2,0,0,0,0|1,1,0]=4 5942 B10R0.156 CCO[Si](C)(C)CCCS[13CH3] 62a_200025704644_100000070546 [0,2,0,0,0,0|1,1,0]=4 5943 B10R0.156 CCO[Si](C)(C)CSCSC 62a_100011218213_200000065227 [0,2,0,0,0,0|1,1,0]=4 5944 B10R0.156 CCO[Si](C)(C)CSCSC 62a_200000065227_100011218213 [0,2,0,0,0,0|1,1,0]=4 5945 B10R0.21 CCC(CC)C(=O)CCOC 1458a_100000211163_100000233755 [0,2,0,0,0,0|1,1,0]=4 5946 B10R0.21 CCC(CC)C(=O)CCOC 1458a_100000749529_100000210505 [0,2,0,0,0,0|1,1,0]=4 5947 B10R0.21 CCC(CC)C(=O)CCSC 1458a_100000174002_100000210505 [0,2,0,0,0,0|1,0,0]=3 5948 B10R0.21 CCC(CC)C(=O)CCSC 1458a_100000211163_100000751147 [0,2,0,0,0,0|1,0,0]=3 5949 B10R0.21 CCC(CC)C(=O)OCSC 62a_100000140015_200000210301 [0,2,0,0,0,0|2,0,0]=4 5950 B10R0.21 CCC(CC)C(=O)OCSC 62a_200000210301_100000140015 [0,2,0,0,0,0|2,0,0]=4 5951 B10R0.21 CCC(CC)C(=O)OCS[13CH3] 62a_100000140015_200025704644 [0,2,0,0,0,0|2,0,0]=4 5952 B10R0.21 CCC(CC)C(=O)OCS[13CH3] 62a_200025704644_100000140015 [0,2,0,0,0,0|2,0,0]=4 5953 B10R0.21 CCC(OC)C(=O)CCOC 1458a_100000747056_100000233755 [0,2,0,0,0,0|1,1,0]=4 5954 B10R0.21 CCC(OC)C(=O)CCSC 1458a_100000747056_100000751147 [0,2,0,0,0,0|1,0,0]=3 5955 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000210183_100000210505 [0,2,0,0,0,0|2,0,0]=4 5956 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000211163_100000210211 [0,2,0,0,0,0|2,0,0]=4 5957 B10R0.21 CCCCC(=O)C(CC)OC 1458a_100000747056_100000210211 [0,2,0,0,0,0|2,0,0]=4 5958 B10R0.21 CCCCC(=O)N(CC)CC 11a_100000724800_100000210183 [0,2,0,0,0,0|2,0,0]=4 5959 B10R0.21 CCCCC(=O)N(CC)CC 1626a_100000724800_100000210183 [0,2,0,0,0,0|2,0,0]=4 5960 B10R0.21 CCCCC(=O)N(CC)CC 240690a_100000724800_100000210183 [0,2,0,0,0,0|2,0,0]=4 5961 B10R0.21 CCCCC(=O)N(CC)CC 527a_100000724800_100000210183 [0,2,0,0,0,0|2,0,0]=4 5962 B10R0.21 CCN(CC)C(=O)CCNC 2230a_106832991635_100011194432 [0,2,0,0,0,0|2,0,0]=4 5963 B10R0.21 CCN(CC)C(=O)CCNC 7a_106832991635_100011194432 [0,2,0,0,0,0|2,0,0]=4 5964 B10R0.21 CCN(CC)C(=O)CCOC 11a_100000724800_100000749529 [0,2,0,0,0,0|1,1,0]=4 5965 B10R0.21 CCN(CC)C(=O)CCOC 1626a_100000724800_100000749529 [0,2,0,0,0,0|1,1,0]=4 5966 B10R0.21 CCN(CC)C(=O)CCOC 240690a_100000724800_100000749529 [0,2,0,0,0,0|1,1,0]=4 5967 B10R0.21 CCN(CC)C(=O)CCOC 527a_100000724800_100000749529 [0,2,0,0,0,0|1,1,0]=4 5968 B10R0.21 CCN(CC)C(=O)CCSC 11a_100000724800_100000174002 [0,2,0,0,0,0|1,0,0]=3 5969 B10R0.21 CCN(CC)C(=O)CCSC 1626a_100000724800_100000174002 [0,2,0,0,0,0|1,0,0]=3 5970 B10R0.21 CCN(CC)C(=O)CCSC 240690a_100000724800_100000174002 [0,2,0,0,0,0|1,0,0]=3 5971 B10R0.21 CCN(CC)C(=O)CCSC 527a_100000724800_100000174002 [0,2,0,0,0,0|1,0,0]=3 5972 B10R0.21 CCN(CC)C(=O)CCSC 62a_200000210301_100011194432 [0,2,0,0,0,0|1,0,0]=3 5973 B10R0.21 CCN(CC)C(=O)CCS[13CH3] 62a_200025704644_100011194432 [0,2,0,0,0,0|1,0,0]=3 5974 B10R0.21 CCN(CC)C(=O)OCSC 62a_200000210301_100000140013 [0,2,0,0,0,0|2,0,0]=4 5975 B10R0.21 CCN(CC)C(=O)OCS[13CH3] 62a_200025704644_100000140013 [0,2,0,0,0,0|2,0,0]=4 5976 B10R0.21 COC(OC)C(=O)CCSC 1458a_100000046285_100000751147 [0,2,0,0,0,0|2,0,0]=4 5977 B10R0.35 CCC(C)C(=O)C(C)COC 1458a_100000751857_100000758301 [0,2,0,0,0,0|1,1,0]=4 5978 B10R0.35 CCC(C)C(=O)C(C)COC 1458a_100011192722_100000765312 [0,2,0,0,0,0|1,1,0]=4 5979 B10R0.35 CCC(C)C(=O)C(C)CSC 1458a_100000753918_100000758301 [0,2,0,0,0,0|1,0,0]=3 5980 B10R0.35 CCC(O)C(=O)C(C)COC 1458a_100011196387_100000765312 [0,2,0,0,0,0|1,1,0]=4 5981 B10R0.35 CCCC(C)C(=O)C(C)CC 1458a_100000210906_100000758301 [0,2,0,0,0,0|2,0,0]=4 5982 B10R0.35 CCCC(C)C(=O)C(C)CC 1458a_100011192722_100000766640 [0,2,0,0,0,0|2,0,0]=4 5983 B10R0.35 CCCC(C)C(=O)C(O)CC 1458a_100011196387_100000766640 [0,2,0,0,0,0|2,0,0]=4 5984 B10R0.35 CCCC(C)C(=O)N(C)CC 11a_100000225621_100000210906 [0,2,0,0,0,0|2,0,0]=4 5985 B10R0.35 CCCC(C)C(=O)N(C)CC 1626a_100000225621_100000210906 [0,2,0,0,0,0|2,0,0]=4 5986 B10R0.35 CCCC(C)C(=O)N(C)CC 240690a_100000225621_100000210906 [0,2,0,0,0,0|2,0,0]=4 5987 B10R0.35 CCCC(C)C(=O)N(C)CC 527a_100000225621_100000210906 [0,2,0,0,0,0|2,0,0]=4 5988 B10R0.35 CCC[C@H](O)C(=O)C(C)CC 1458a_100009822183_100000758301 [0,2,0,0,0,0|2,0,0]=4 5989 B10R0.35 CCC[C@H](O)C(=O)N(C)CC 240690a_100000225621_100009822183 [0,2,0,0,0,0|2,0,0]=4 5990 B10R0.35 CCN(C)C(=O)C(C)COC 11a_100000225621_100000751857 [0,2,0,0,0,0|1,1,0]=4 5991 B10R0.35 CCN(C)C(=O)C(C)COC 1626a_100000225621_100000751857 [0,2,0,0,0,0|1,1,0]=4 5992 B10R0.35 CCN(C)C(=O)C(C)COC 240690a_100000225621_100000751857 [0,2,0,0,0,0|1,1,0]=4 5993 B10R0.35 CCN(C)C(=O)C(C)COC 527a_100000225621_100000751857 [0,2,0,0,0,0|1,1,0]=4 5994 B10R0.35 CCN(C)C(=O)C(C)CSC 11a_100000225621_100000753918 [0,2,0,0,0,0|1,0,0]=3 5995 B10R0.35 CCN(C)C(=O)C(C)CSC 1626a_100000225621_100000753918 [0,2,0,0,0,0|1,0,0]=3 5996 B10R0.35 CCN(C)C(=O)C(C)CSC 240690a_100000225621_100000753918 [0,2,0,0,0,0|1,0,0]=3 5997 B10R0.35 CCN(C)C(=O)C(C)CSC 527a_100000225621_100000753918 [0,2,0,0,0,0|1,0,0]=3 5998 B10R0.35 CCOC(=O)C(=O)C(C)NC 2230a_106832991635_100010256902 [0,2,0,0,0,0|1,0,1]=4 5999 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_100010256902_200000210301 [0,2,0,0,0,0|0,0,1]=3 6000 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_200000210301_100010256902 [0,2,0,0,0,0|0,0,1]=3 6001 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_100010256902_200025704644 [0,2,0,0,0,0|0,0,1]=3 6002 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100010256902 [0,2,0,0,0,0|0,0,1]=3 6003 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100000210414_100011216346 [0,2,0,0,0,0|1,0,1]=4 6004 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100132301724_100000210202 [0,2,0,0,0,0|1,0,1]=4 6005 B10R0.35 CCOC(=O)C(C)C(=O)NC 11a_106832991635_100132301724 [0,2,0,0,0,0|1,0,1]=4 6006 B10R0.35 CCOC(=O)C(C)C(=O)NC 1626a_100102657272_100132301724 [0,2,0,0,0,0|1,0,1]=4 6007 B10R0.35 CCOC(=O)C(C)C(=O)NC 240690a_100102657272_100132301724 [0,2,0,0,0,0|1,0,1]=4 6008 B10R0.35 CCOC(=O)C(C)C(=O)NC 527a_100102657272_100132301724 [0,2,0,0,0,0|1,0,1]=4 6009 B10R0.35 CCOC(=O)C(C)N(C)CC 2230a_100000225621_100011215307 [0,2,0,0,0,0|2,0,0]=4 6010 B10R0.35 CCOC(=O)C(C)N(C)CC 269982a_100000225621_100011216346 [0,2,0,0,0,0|2,0,0]=4 6011 B10R0.35 CCOC(=O)C(F)C(=O)CC 1458a_100000210414_100000760018 [0,2,0,0,0,0|1,0,1]=4 6012 B10R0.35 CCOC(=O)C(F)N(C)CC 2230a_100000225621_100000760018 [0,2,0,0,0,0|2,0,0]=4 6013 B10R0.35 CCOC(=O)C(F)N(C)CC 269982a_100000225621_100000760018 [0,2,0,0,0,0|2,0,0]=4 6014 B10R0.40 CCC(C)(C)C(=O)CCOC 1458a_100000749717_100000233755 [0,2,0,0,0,0|1,1,0]=4 6015 B10R0.40 CCC(C)(C)C(=O)CCSC 1458a_100000749717_100000751147 [0,2,0,0,0,0|1,0,0]=3 6016 B10R0.40 CCC(C)(O)C(=O)CCOC 1458a_100011219770_100000233755 [0,2,0,0,0,0|1,1,0]=4 6017 B10R0.40 CCC(C)(O)C(=O)CCSC 1458a_100011219770_100000751147 [0,2,0,0,0,0|1,0,0]=3 6018 B10R0.40 CCC(F)(F)C(=O)CCOC 1458a_100000061896_100000233755 [0,2,0,0,0,0|1,1,0]=4 6019 B10R0.40 CCC(F)(F)C(=O)CCSC 1458a_100000061896_100000751147 [0,2,0,0,0,0|1,0,0]=3 6020 B10R0.40 CCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210211 [0,2,0,0,0,0|2,0,0]=4 6021 B10R0.40 CCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210211 [0,2,0,0,0,0|2,0,0]=4 6022 B10R0.40 CCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210211 [0,2,0,0,0,0|2,0,0]=4 6023 B10R0.40 COC(C)(C)C(=O)CCSC 1458a_100000753492_100000751147 [0,2,0,0,0,0|2,0,0]=4 6024 B10R0.40 CSCCC(=O)C(C)(C)CF 1458a_100000138116_100000751147 [0,2,0,0,0,0|2,0,0]=4 6025 B10R0.40 CSCCC(=O)C(C)(C)CO 1458a_100000749806_100000751147 [0,2,0,0,0,0|2,0,0]=4 6026 B10R0.46 CCC(C)C(=O)C[C@@H](C)CC 1458a_100011192722_100009816398 [0,2,0,0,0,0|2,0,0]=4 6027 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100000708755_100000758301 [0,2,0,0,0,0|2,0,0]=4 6028 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100011192722_100000748023 [0,2,0,0,0,0|2,0,0]=4 6029 B10R0.46 CCC(C)CC(=O)C(O)CC 1458a_100011196387_100000748023 [0,2,0,0,0,0|2,0,0]=4 6030 B10R0.46 CCC(C)CC(=O)N(C)CC 11a_100000225621_100000708755 [0,2,0,0,0,0|2,0,0]=4 6031 B10R0.46 CCC(C)CC(=O)N(C)CC 1626a_100000225621_100000708755 [0,2,0,0,0,0|2,0,0]=4 6032 B10R0.46 CCC(C)CC(=O)N(C)CC 240690a_100000225621_100000708755 [0,2,0,0,0,0|2,0,0]=4 6033 B10R0.46 CCC(C)CC(=O)N(C)CC 527a_100000225621_100000708755 [0,2,0,0,0,0|2,0,0]=4 6034 B10R0.46 CCC(O)C(=O)C[C@@H](C)CC 1458a_100011196387_100009816398 [0,2,0,0,0,0|2,0,0]=4 6035 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011192722_100011218378 [0,2,0,0,0,0|2,0,0]=4 6036 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011667805_100000758301 [0,2,0,0,0,0|2,0,0]=4 6037 B10R0.46 CCC(O)CC(=O)C(O)CC 1458a_100011196387_100011218378 [0,2,0,0,0,0|2,0,0]=4 6038 B10R0.46 CCC(O)CC(=O)N(C)CC 1626a_100000225621_100011667805 [0,2,0,0,0,0|2,0,0]=4 6039 B10R0.46 CCC(O)CC(=O)N(C)CC 240690a_100000225621_100011667805 [0,2,0,0,0,0|2,0,0]=4 6040 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_100011192722_100000730704 [0,2,0,0,0,0|2,0,0]=4 6041 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_200000688413_100000758301 [0,2,0,0,0,0|2,0,0]=4 6042 B10R0.57 C=C(C)CCC(=O)C(O)CC 1458a_100011196387_100000730704 [0,2,0,0,0,0|2,0,0]=4 6043 B10R0.57 C=C(C)CCC(=O)N(C)CC 11a_100000225621_200000688413 [0,2,0,0,0,0|2,0,0]=4 6044 B10R0.57 C=C(C)CCC(=O)N(C)CC 1626a_100000225621_200000688413 [0,2,0,0,0,0|2,0,0]=4 6045 B10R0.57 C=C(C)CCC(=O)N(C)CC 240690a_100000225621_200000688413 [0,2,0,0,0,0|2,0,0]=4 6046 B10R0.57 C=C(C)CCC(=O)N(C)CC 527a_100000225621_200000688413 [0,2,0,0,0,0|2,0,0]=4 6047 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100000181311_100000758301 [0,2,0,0,0,0|2,0,0]=4 6048 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100011192722_100000210312 [0,2,0,0,0,0|2,0,0]=4 6049 B10R0.57 CCC(C)C(=O)CCC(C)O 1458a_100011192722_100012276601 [0,2,0,0,0,0|2,0,0]=4 6050 B10R0.57 CCC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000758301 [0,2,0,0,0,0|1,0,1]=4 6051 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [0,2,0,0,0,0|2,0,0]=4 6052 B10R0.57 CCC(O)C(=O)CCC(C)O 1458a_100011196387_100012276601 [0,2,0,0,0,0|2,0,0]=4 6053 B10R0.57 CCN(C)C(=O)CCC(C)C 11a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 6054 B10R0.57 CCN(C)C(=O)CCC(C)C 1626a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 6055 B10R0.57 CCN(C)C(=O)CCC(C)C 240690a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 6056 B10R0.57 CCN(C)C(=O)CCC(C)C 527a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 6057 B10R0.57 CCN(C)C(=O)CCC(C)O 1626a_100000225621_100000718519 [0,2,0,0,0,0|2,0,0]=4 6058 B10R0.57 CCN(C)C(=O)CCN(C)C 11a_100000225621_100000689311 [0,2,0,0,0,0|2,0,0]=4 6059 B10R0.57 CCN(C)C(=O)CCN(C)C 240690a_100000225621_100000689311 [0,2,0,0,0,0|2,0,0]=4 6060 B10R0.57 CCN(C)C(=O)CCN(C)C 527a_100000225621_100000689311 [0,2,0,0,0,0|2,0,0]=4 6061 B10R0.57 CCN(C)C(=O)CC[S+](C)C 11a_100000225621_100009452791 [0,2,0,0,0,0|1,0,1]=4 6062 B10R0.57 CCN(C)C(=O)CC[S+](C)C 1626a_100000225621_100009452791 [0,2,0,0,0,0|1,0,1]=4 6063 B10R0.57 CCN(C)C(=O)CC[S+](C)C 240690a_100000225621_100009452791 [0,2,0,0,0,0|1,0,1]=4 6064 B10R0.78 C#CCCC(=O)COC(C)C 1458a_100000745533_100000753159 [0,2,0,0,0,0|1,0,1]=4 6065 B10R0.78 C/C=C/CC(=O)COC(C)C 1458a_100000745533_100102629194 [0,2,0,0,0,0|1,0,1]=4 6066 B10R0.78 C=C(C)CCC(=O)C#CCC 1458a_100011827653_100000730704 [0,2,0,0,0,0|2,0,0]=4 6067 B10R0.78 C=C(C)CCC(=O)C=CCC 1458a_100000212282_100000730704 [0,2,0,0,0,0|2,0,0]=4 6068 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,2,0,0,0,0|2,0,0]=4 6069 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,2,0,0,0,0|2,0,0]=4 6070 B10R0.78 C=C(C)CCC(=O)CCCF 1458a_200000688413_100011934791 [0,2,0,0,0,0|2,0,0]=4 6071 B10R0.78 C=C(C)CCC(=O)CCCO 1458a_200000688413_100011215043 [0,2,0,0,0,0|2,0,0]=4 6072 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_100000749529_100000730704 [0,2,0,0,0,0|1,1,0]=4 6073 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_200000688413_100000233755 [0,2,0,0,0,0|1,1,0]=4 6074 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_100000174002_100000730704 [0,2,0,0,0,0|1,0,0]=3 6075 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_200000688413_100000751147 [0,2,0,0,0,0|1,0,0]=3 6076 B10R0.78 C=C(C)CCC(=O)COCC 1458a_100000211967_100000730704 [0,2,0,0,0,0|1,0,0]=3 6077 B10R0.78 C=C(C)CCC(=O)CSCC 1458a_100000230394_100000730704 [0,2,0,0,0,0|1,1,0]=4 6078 B10R0.78 C=C(C)CCC(=O)NCCC 11a_100020643023_200000688413 [0,2,0,0,0,0|2,0,0]=4 6079 B10R0.78 C=C(C)CCC(=O)NCCC 1626a_100020643023_200000688413 [0,2,0,0,0,0|2,0,0]=4 6080 B10R0.78 C=C(C)CCC(=O)NCCC 240690a_100020643023_200000688413 [0,2,0,0,0,0|2,0,0]=4 6081 B10R0.78 C=C(C)CCC(=O)NCCC 527a_100020643023_200000688413 [0,2,0,0,0,0|2,0,0]=4 6082 B10R0.78 C=C(C)CCC(=O)NCCF 11a_100000724931_200000688413 [0,2,0,0,0,0|2,0,0]=4 6083 B10R0.78 C=C(C)CCC(=O)NCCF 1626a_100000724931_200000688413 [0,2,0,0,0,0|2,0,0]=4 6084 B10R0.78 C=C(C)CCC(=O)NCCF 240690a_100000724931_200000688413 [0,2,0,0,0,0|2,0,0]=4 6085 B10R0.78 C=C(C)CCC(=O)NCCF 527a_100000724931_200000688413 [0,2,0,0,0,0|2,0,0]=4 6086 B10R0.78 C=C(C)CCC(=O)NCCO 240690a_100000210304_200000688413 [0,2,0,0,0,0|2,0,0]=4 6087 B10R0.78 C=C(C)CCC(=O)NCCO 527a_100000210304_200000688413 [0,2,0,0,0,0|2,0,0]=4 6088 B10R0.78 C=C(C)CCC(=O)NNCC 22a_100000756455_200000688413 [0,2,0,0,0,0|2,0,0]=4 6089 B10R0.78 C=C(C)CNC(=O)CCCC 11a_100000765925_100000210183 [0,2,0,0,0,0|2,0,0]=4 6090 B10R0.78 C=C(C)CNC(=O)CCCC 1626a_100000765925_100000210183 [0,2,0,0,0,0|2,0,0]=4 6091 B10R0.78 C=C(C)CNC(=O)CCCC 240690a_100000765925_100000210183 [0,2,0,0,0,0|2,0,0]=4 6092 B10R0.78 C=C(C)CNC(=O)CCCC 527a_100000765925_100000210183 [0,2,0,0,0,0|2,0,0]=4 6093 B10R0.78 C=C(C)CNC(=O)CCOC 11a_100000765925_100000749529 [0,2,0,0,0,0|1,1,0]=4 6094 B10R0.78 C=C(C)CNC(=O)CCOC 1626a_100000765925_100000749529 [0,2,0,0,0,0|1,1,0]=4 6095 B10R0.78 C=C(C)CNC(=O)CCOC 240690a_100000765925_100000749529 [0,2,0,0,0,0|1,1,0]=4 6096 B10R0.78 C=C(C)CNC(=O)CCOC 527a_100000765925_100000749529 [0,2,0,0,0,0|1,1,0]=4 6097 B10R0.78 C=C(C)CNC(=O)CCSC 11a_100000765925_100000174002 [0,2,0,0,0,0|1,0,0]=3 6098 B10R0.78 C=C(C)CNC(=O)CCSC 1626a_100000765925_100000174002 [0,2,0,0,0,0|1,0,0]=3 6099 B10R0.78 C=C(C)CNC(=O)CCSC 240690a_100000765925_100000174002 [0,2,0,0,0,0|1,0,0]=3 6100 B10R0.78 C=C(C)CNC(=O)CCSC 527a_100000765925_100000174002 [0,2,0,0,0,0|1,0,0]=3 6101 B10R0.78 C=C(C)CNC(=O)COCC 11a_100000765925_100000211967 [0,2,0,0,0,0|2,0,0]=4 6102 B10R0.78 C=C(C)CNC(=O)COCC 1626a_100000765925_100000211967 [0,2,0,0,0,0|2,0,0]=4 6103 B10R0.78 C=C(C)CNC(=O)COCC 240690a_100000765925_100000211967 [0,2,0,0,0,0|2,0,0]=4 6104 B10R0.78 C=C(C)CNC(=O)COCC 527a_100000765925_100000211967 [0,2,0,0,0,0|2,0,0]=4 6105 B10R0.78 C=CCCC(=O)COC(C)C 1458a_100000745533_100000754431 [0,2,0,0,0,0|1,0,1]=4 6106 B10R0.78 CC#CCC(=O)COC(C)C 1458a_100000745533_100000748600 [0,2,0,0,0,0|1,0,1]=4 6107 B10R0.78 CC(C)CCC(=O)CCCF 1458a_100000181311_100011934791 [0,2,0,0,0,0|2,0,0]=4 6108 B10R0.78 CC(C)CCC(=O)CCCO 1458a_100000181311_100011215043 [0,2,0,0,0,0|2,0,0]=4 6109 B10R0.78 CC(C)CCC(=O)NCCF 11a_100000724931_100000181311 [0,2,0,0,0,0|2,0,0]=4 6110 B10R0.78 CC(C)CCC(=O)NCCF 1626a_100000724931_100000181311 [0,2,0,0,0,0|2,0,0]=4 6111 B10R0.78 CC(C)CCC(=O)NCCF 240690a_100000724931_100000181311 [0,2,0,0,0,0|2,0,0]=4 6112 B10R0.78 CC(C)CCC(=O)NCCF 527a_100000724931_100000181311 [0,2,0,0,0,0|2,0,0]=4 6113 B10R0.78 CC(C)CCC(=O)NCCO 240690a_100000210304_100000181311 [0,2,0,0,0,0|2,0,0]=4 6114 B10R0.78 CC(C)CCC(=O)NCCO 527a_100000210304_100000181311 [0,2,0,0,0,0|2,0,0]=4 6115 B10R0.78 CC(C)OCC(=O)CCC#N 1458a_100000745533_100011215226 [0,2,0,0,0,0|2,0,0]=4 6116 B10R0.78 CC(C)OCC(=O)CCCF 1458a_100000745533_100011934791 [0,2,0,0,0,0|2,0,0]=4 6117 B10R0.78 CC(C)OCC(=O)CCCO 1458a_100000745533_100011215043 [0,2,0,0,0,0|2,0,0]=4 6118 B10R0.78 CC(O)CCC(=O)NCCF 1626a_100000724931_100000718519 [0,2,0,0,0,0|2,0,0]=4 6119 B10R0.78 CC=CCC(=O)COC(C)C 1458a_100000745533_100000070051 [0,2,0,0,0,0|1,0,1]=4 6120 B10R0.78 CCC#CC(=O)CCC(C)C 1458a_100011827653_100000210312 [0,2,0,0,0,0|2,0,0]=4 6121 B10R0.78 CCC#CC(=O)CCC(C)O 1458a_100011827653_100012276601 [0,2,0,0,0,0|2,0,0]=4 6122 B10R0.78 CCC=CC(=O)CCC(C)C 1458a_100000212282_100000210312 [0,2,0,0,0,0|2,0,0]=4 6123 B10R0.78 CCC=CC(=O)CCC(C)O 1458a_100000212282_100012276601 [0,2,0,0,0,0|2,0,0]=4 6124 B10R0.78 CCCCC(=O)C=CC(C)C 1458a_100016268746_100000210211 [0,2,0,0,0,0|2,0,0]=4 6125 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [0,2,0,0,0,0|2,0,0]=4 6126 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [0,2,0,0,0,0|2,0,0]=4 6127 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [0,2,0,0,0,0|2,0,0]=4 6128 B10R0.78 CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210211 [0,2,0,0,0,0|1,0,1]=4 6129 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,2,0,0,0,0|1,0,1]=4 6130 B10R0.78 CCCCC(=O)COC(C)C 1458a_100000745533_100000210211 [0,2,0,0,0,0|1,0,0]=3 6131 B10R0.78 CCCCC(=O)COC(F)F 1458a_200000719455_100000210211 [0,2,0,0,0,0|2,0,0]=4 6132 B10R0.78 CCCCC(=O)CSC(C)C 1458a_100000241585_100000210211 [0,2,0,0,0,0|1,1,0]=4 6133 B10R0.78 CCCCC(=O)NCC(C)C 11a_100000210953_100000210183 [0,2,0,0,0,0|2,0,0]=4 6134 B10R0.78 CCCCC(=O)NCC(C)C 1626a_100000210953_100000210183 [0,2,0,0,0,0|2,0,0]=4 6135 B10R0.78 CCCCC(=O)NCC(C)C 240690a_100000210953_100000210183 [0,2,0,0,0,0|2,0,0]=4 6136 B10R0.78 CCCCC(=O)NCC(C)C 527a_100000210953_100000210183 [0,2,0,0,0,0|2,0,0]=4 6137 B10R0.78 CCCCC(=O)NCC(C)O 11a_100000210904_100000210183 [0,2,0,0,0,0|2,0,0]=4 6138 B10R0.78 CCCCC(=O)NCC(C)O 240690a_100000210904_100000210183 [0,2,0,0,0,0|2,0,0]=4 6139 B10R0.78 CCCCC(=O)NCC(C)O 527a_100000210904_100000210183 [0,2,0,0,0,0|2,0,0]=4 6140 B10R0.78 CCCCC(=O)NCC(F)F 11a_100000765723_100000210183 [0,2,0,0,0,0|2,0,0]=4 6141 B10R0.78 CCCCC(=O)NCC(F)F 1626a_100000765723_100000210183 [0,2,0,0,0,0|2,0,0]=4 6142 B10R0.78 CCCCC(=O)NCC(F)F 240690a_100000765723_100000210183 [0,2,0,0,0,0|2,0,0]=4 6143 B10R0.78 CCCCC(=O)NCC(F)F 527a_100000765723_100000210183 [0,2,0,0,0,0|2,0,0]=4 6144 B10R0.78 CCCCC(=O)NNC(C)C 22a_100000741168_100000210183 [0,2,0,0,0,0|2,0,0]=4 6145 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [0,2,0,0,0,0|2,0,0]=4 6146 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [0,2,0,0,0,0|2,0,0]=4 6147 B10R0.78 CCCNC(=O)CCC(C)C 11a_100020643023_100000181311 [0,2,0,0,0,0|2,0,0]=4 6148 B10R0.78 CCCNC(=O)CCC(C)C 1626a_100020643023_100000181311 [0,2,0,0,0,0|2,0,0]=4 6149 B10R0.78 CCCNC(=O)CCC(C)C 240690a_100020643023_100000181311 [0,2,0,0,0,0|2,0,0]=4 6150 B10R0.78 CCCNC(=O)CCC(C)C 527a_100020643023_100000181311 [0,2,0,0,0,0|2,0,0]=4 6151 B10R0.78 CCCNC(=O)CCC(C)O 1626a_100020643023_100000718519 [0,2,0,0,0,0|2,0,0]=4 6152 B10R0.78 CCCNC(=O)CCN(C)C 11a_100020643023_100000689311 [0,2,0,0,0,0|2,0,0]=4 6153 B10R0.78 CCCNC(=O)CCN(C)C 240690a_100020643023_100000689311 [0,2,0,0,0,0|2,0,0]=4 6154 B10R0.78 CCCNC(=O)CCN(C)C 527a_100020643023_100000689311 [0,2,0,0,0,0|2,0,0]=4 6155 B10R0.78 CCCNC(=O)CC[S+](C)C 11a_100020643023_100009452791 [0,2,0,0,0,0|1,0,1]=4 6156 B10R0.78 CCCNC(=O)CC[S+](C)C 1626a_100020643023_100009452791 [0,2,0,0,0,0|1,0,1]=4 6157 B10R0.78 CCCNC(=O)CC[S+](C)C 240690a_100020643023_100009452791 [0,2,0,0,0,0|1,0,1]=4 6158 B10R0.78 CCCNC(=O)COC(C)C 11a_100020643023_100000745533 [0,2,0,0,0,0|2,0,0]=4 6159 B10R0.78 CCCNC(=O)COC(C)C 1626a_100020643023_100000745533 [0,2,0,0,0,0|2,0,0]=4 6160 B10R0.78 CCCNC(=O)COC(C)C 240690a_100020643023_100000745533 [0,2,0,0,0,0|2,0,0]=4 6161 B10R0.78 CCCNC(=O)COC(C)C 34a_100000212225_100000183358 [0,2,0,0,0,0|2,0,0]=4 6162 B10R0.78 CCCNC(=O)COC(C)C 527a_100020643023_100000745533 [0,2,0,0,0,0|2,0,0]=4 6163 B10R0.78 CCCOC(=O)CNC(C)C 2230a_100138425928_200011215008 [0,2,0,0,0,0|2,0,0]=4 6164 B10R0.78 CCCOC(=O)CNC(C)C 34a_100138425928_200011215008 [0,2,0,0,0,0|2,0,0]=4 6165 B10R0.78 CCCOC(=O)COC(C)C 34a_100000212225_200011215008 [0,2,0,0,0,0|2,0,0]=4 6166 B10R0.78 CCCOC(=O)CSC(C)C 62a_100000210206_200011215008 [0,2,0,0,0,0|2,0,0]=4 6167 B10R0.78 CCCOC(=O)CSC(C)C 62a_200011215008_100000210206 [0,2,0,0,0,0|2,0,0]=4 6168 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [0,2,0,0,0,0|2,0,0]=4 6169 B10R0.78 CCCOC(=O)OCN(C)C 269982a_100102631434_200000139673 [0,2,0,0,0,0|2,0,0]=4 6170 B10R0.78 CCNNC(=O)CCC(C)C 22a_100000756455_100000181311 [0,2,0,0,0,0|2,0,0]=4 6171 B10R0.78 CCNNC(=O)CCN(C)C 22a_100000756455_100000689311 [0,2,0,0,0,0|2,0,0]=4 6172 B10R0.78 CCNNC(=O)CC[S+](C)C 22a_100000756455_100009452791 [0,2,0,0,0,0|1,0,1]=4 6173 B10R0.78 CCOCC(=O)CC=C(C)C 1458a_100000211967_100000761012 [0,2,0,0,0,0|1,0,1]=4 6174 B10R0.78 CCOCC(=O)CCC(C)C 1458a_100000211967_100000210312 [0,2,0,0,0,0|1,0,0]=3 6175 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [0,2,0,0,0,0|1,0,0]=3 6176 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,2,0,0,0,0|2,0,0]=4 6177 B10R0.78 CCOCC(=O)NCC(C)C 11a_100000210953_100000211967 [0,2,0,0,0,0|2,0,0]=4 6178 B10R0.78 CCOCC(=O)NCC(C)C 1626a_100000210953_100000211967 [0,2,0,0,0,0|2,0,0]=4 6179 B10R0.78 CCOCC(=O)NCC(C)C 240690a_100000210953_100000211967 [0,2,0,0,0,0|2,0,0]=4 6180 B10R0.78 CCOCC(=O)NCC(C)C 34a_100121572206_100000183291 [0,2,0,0,0,0|2,0,0]=4 6181 B10R0.78 CCOCC(=O)NCC(C)C 527a_100000210953_100000211967 [0,2,0,0,0,0|2,0,0]=4 6182 B10R0.78 CCOCC(=O)NCC(C)O 11a_100000210904_100000211967 [0,2,0,0,0,0|2,0,0]=4 6183 B10R0.78 CCOCC(=O)NCC(C)O 240690a_100000210904_100000211967 [0,2,0,0,0,0|2,0,0]=4 6184 B10R0.78 CCOCC(=O)NCC(C)O 527a_100000210904_100000211967 [0,2,0,0,0,0|2,0,0]=4 6185 B10R0.78 CCSCC(=O)CCC(C)C 1458a_100000230394_100000210312 [0,2,0,0,0,0|1,1,0]=4 6186 B10R0.78 CCSCC(=O)CCC(C)O 1458a_100000230394_100012276601 [0,2,0,0,0,0|1,1,0]=4 6187 B10R0.78 CN(C)CCC(=O)NCCF 11a_100000724931_100000689311 [0,2,0,0,0,0|2,0,0]=4 6188 B10R0.78 CN(C)CCC(=O)NCCF 240690a_100000724931_100000689311 [0,2,0,0,0,0|2,0,0]=4 6189 B10R0.78 CN(C)CCC(=O)NCCF 527a_100000724931_100000689311 [0,2,0,0,0,0|2,0,0]=4 6190 B10R0.78 CN(C)CCC(=O)NCCO 240690a_100000210304_100000689311 [0,2,0,0,0,0|2,0,0]=4 6191 B10R0.78 CN(C)CCC(=O)NCCO 527a_100000210304_100000689311 [0,2,0,0,0,0|2,0,0]=4 6192 B10R0.78 COCCC(=O)C=CC(C)C 1458a_100016268746_100000233755 [0,2,0,0,0,0|1,1,0]=4 6193 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000181311_100000233755 [0,2,0,0,0,0|1,1,0]=4 6194 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000749529_100000210312 [0,2,0,0,0,0|1,1,0]=4 6195 B10R0.78 COCCC(=O)CCC(C)O 1458a_100000749529_100012276601 [0,2,0,0,0,0|1,1,0]=4 6196 B10R0.78 COCCC(=O)CC[S+](C)C 1458a_100009452791_100000233755 [0,2,0,0,0,0|1,0,1]=4 6197 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [0,2,0,0,0,0|0,1,1]=4 6198 B10R0.78 COCCC(=O)COC(C)C 1458a_100000745533_100000233755 [0,2,0,0,0,0|0,1,0]=3 6199 B10R0.78 COCCC(=O)COC(F)F 1458a_200000719455_100000233755 [0,2,0,0,0,0|1,1,0]=4 6200 B10R0.78 COCCC(=O)CSC(C)C 1458a_100000241585_100000233755 [0,2,0,0,0,0|0,2,0]=4 6201 B10R0.78 COCCC(=O)NCC(C)C 11a_100000210953_100000749529 [0,2,0,0,0,0|1,1,0]=4 6202 B10R0.78 COCCC(=O)NCC(C)C 1626a_100000210953_100000749529 [0,2,0,0,0,0|1,1,0]=4 6203 B10R0.78 COCCC(=O)NCC(C)C 240690a_100000210953_100000749529 [0,2,0,0,0,0|1,1,0]=4 6204 B10R0.78 COCCC(=O)NCC(C)C 527a_100000210953_100000749529 [0,2,0,0,0,0|1,1,0]=4 6205 B10R0.78 COCCC(=O)NCC(C)O 11a_100000210904_100000749529 [0,2,0,0,0,0|1,1,0]=4 6206 B10R0.78 COCCC(=O)NCC(C)O 240690a_100000210904_100000749529 [0,2,0,0,0,0|1,1,0]=4 6207 B10R0.78 COCCC(=O)NCC(C)O 527a_100000210904_100000749529 [0,2,0,0,0,0|1,1,0]=4 6208 B10R0.78 COCCC(=O)NCC(F)F 11a_100000765723_100000749529 [0,2,0,0,0,0|1,1,0]=4 6209 B10R0.78 COCCC(=O)NCC(F)F 1626a_100000765723_100000749529 [0,2,0,0,0,0|1,1,0]=4 6210 B10R0.78 COCCC(=O)NCC(F)F 240690a_100000765723_100000749529 [0,2,0,0,0,0|1,1,0]=4 6211 B10R0.78 COCCC(=O)NCC(F)F 527a_100000765723_100000749529 [0,2,0,0,0,0|1,1,0]=4 6212 B10R0.78 COCCC(=O)NNC(C)C 22a_100000741168_100000749529 [0,2,0,0,0,0|1,1,0]=4 6213 B10R0.78 CSCCC(=NNC(C)C)C 4a_100000741168_100011217047 [0,2,0,0,0,0|2,0,0]=4 6214 B10R0.78 CSCCC(=O)C=CC(C)C 1458a_100016268746_100000751147 [0,2,0,0,0,0|1,0,0]=3 6215 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100000174002_100000761012 [0,2,0,0,0,0|1,0,1]=4 6216 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100011220947_100000751147 [0,2,0,0,0,0|1,0,1]=4 6217 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [0,2,0,0,0,0|1,0,1]=4 6218 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000174002_100000210312 [0,2,0,0,0,0|1,0,0]=3 6219 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000181311_100000751147 [0,2,0,0,0,0|1,0,0]=3 6220 B10R0.78 CSCCC(=O)CCC(C)O 1458a_100000174002_100012276601 [0,2,0,0,0,0|1,0,0]=3 6221 B10R0.78 CSCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000751147 [0,2,0,0,0,0|2,0,0]=4 6222 B10R0.78 CSCCC(=O)CC[S+](C)C 1458a_100009452791_100000751147 [0,2,0,0,0,0|1,0,0]=3 6223 B10R0.78 CSCCC(=O)CNC(=O)C 1458a_100000194580_100000751147 [0,2,0,0,0,0|1,0,1]=4 6224 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [0,2,0,0,0,0|0,0,1]=3 6225 B10R0.78 CSCCC(=O)COC(C)C 1458a_100000745533_100000751147 [0,2,0,0,0,0|0,0,0]=2 6226 B10R0.78 CSCCC(=O)COC(F)F 1458a_200000719455_100000751147 [0,2,0,0,0,0|1,0,0]=3 6227 B10R0.78 CSCCC(=O)CSC(=O)C 1458a_100000049016_100000751147 [0,2,0,0,0,0|0,1,1]=4 6228 B10R0.78 CSCCC(=O)CSC(C)C 1458a_100000241585_100000751147 [0,2,0,0,0,0|0,1,0]=3 6229 B10R0.78 CSCCC(=O)CSC(F)F 1458a_114828291038_100000751147 [0,2,0,0,0,0|1,1,0]=4 6230 B10R0.78 CSCCC(=O)NCC(=O)N 11a_100000711301_100000174002 [0,2,0,0,0,0|1,0,1]=4 6231 B10R0.78 CSCCC(=O)NCC(=O)N 240690a_100000711301_100000174002 [0,2,0,0,0,0|1,0,1]=4 6232 B10R0.78 CSCCC(=O)NCC(=O)N 527a_100000711301_100000174002 [0,2,0,0,0,0|1,0,1]=4 6233 B10R0.78 CSCCC(=O)NCC(C)C 11a_100000210953_100000174002 [0,2,0,0,0,0|1,0,0]=3 6234 B10R0.78 CSCCC(=O)NCC(C)C 1626a_100000210953_100000174002 [0,2,0,0,0,0|1,0,0]=3 6235 B10R0.78 CSCCC(=O)NCC(C)C 240690a_100000210953_100000174002 [0,2,0,0,0,0|1,0,0]=3 6236 B10R0.78 CSCCC(=O)NCC(C)C 527a_100000210953_100000174002 [0,2,0,0,0,0|1,0,0]=3 6237 B10R0.78 CSCCC(=O)NCC(C)O 11a_100000210904_100000174002 [0,2,0,0,0,0|1,0,0]=3 6238 B10R0.78 CSCCC(=O)NCC(C)O 240690a_100000210904_100000174002 [0,2,0,0,0,0|1,0,0]=3 6239 B10R0.78 CSCCC(=O)NCC(C)O 527a_100000210904_100000174002 [0,2,0,0,0,0|1,0,0]=3 6240 B10R0.78 CSCCC(=O)NCC(F)F 11a_100000765723_100000174002 [0,2,0,0,0,0|1,0,0]=3 6241 B10R0.78 CSCCC(=O)NCC(F)F 1626a_100000765723_100000174002 [0,2,0,0,0,0|1,0,0]=3 6242 B10R0.78 CSCCC(=O)NCC(F)F 240690a_100000765723_100000174002 [0,2,0,0,0,0|1,0,0]=3 6243 B10R0.78 CSCCC(=O)NCC(F)F 527a_100000765723_100000174002 [0,2,0,0,0,0|1,0,0]=3 6244 B10R0.78 CSCCC(=O)NNC(=O)C 22a_100000189765_100000174002 [0,2,0,0,0,0|1,0,1]=4 6245 B10R0.78 CSCCC(=O)NNC(C)C 22a_100000741168_100000174002 [0,2,0,0,0,0|1,0,0]=3 6246 B10R0.78 CSCCN(C)COC(C)C 2230a_100000686725_100000709892 [0,2,0,0,0,0|2,0,0]=4 6247 B10R0.78 CSCCN(C)COC(C)C 269982a_100000686725_100000709892 [0,2,0,0,0,0|2,0,0]=4 6248 B10R0.78 CSCC[C@H](N)COC(C)C 34a_100011827619_100000210206 [0,2,0,0,0,0|1,0,1]=4 6249 B10R0.78 C[S+](C)CCC(=O)CCCF 1458a_100009452791_100011934791 [0,2,0,0,0,0|1,0,1]=4 6250 B10R0.78 C[S+](C)CCC(=O)CCCO 1458a_100009452791_100011215043 [0,2,0,0,0,0|1,0,1]=4 6251 B10R0.78 C[S+](C)CCC(=O)NCCF 11a_100000724931_100009452791 [0,2,0,0,0,0|1,0,1]=4 6252 B10R0.78 C[S+](C)CCC(=O)NCCF 1626a_100000724931_100009452791 [0,2,0,0,0,0|1,0,1]=4 6253 B10R0.78 C[S+](C)CCC(=O)NCCF 240690a_100000724931_100009452791 [0,2,0,0,0,0|1,0,1]=4 6254 B10R0.78 C[S+](C)CCC(=O)NCCO 240690a_100000210304_100009452791 [0,2,0,0,0,0|1,0,1]=4 6255 B10R0.7 CCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210303 [0,2,0,0,0,0|2,0,0]=4 6256 B10R0.7 CCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210303 [0,2,0,0,0,0|2,0,0]=4 6257 B10R0.7 CCNC(=O)CC(C)(C)CC 11a_100015525214_200000763500 [0,2,0,0,0,0|2,0,0]=4 6258 B10R0.7 CCNC(=O)CC(C)(C)CC 240690a_100015525214_200000763500 [0,2,0,0,0,0|2,0,0]=4 6259 B10R0.7 CCNC(=O)CC(C)(C)CC 527a_100015525214_200000763500 [0,2,0,0,0,0|2,0,0]=4 6260 B10R0.7 CCNC(=O)CC(C)(O)CC 240690a_100015525214_200011219800 [0,2,0,0,0,0|2,0,0]=4 6261 B10R0.7 CCNC(=O)CC(C)(O)CC 527a_100015525214_200011219800 [0,2,0,0,0,0|2,0,0]=4 6262 B10R0.7 CCOC(=O)CC(C)(C)OC 7a_100000765344_200000210301 [0,2,0,0,0,0|0,1,0]=3 6263 B10R0.7 CCOC(=O)CC(C)(C)O[13CH3] 7a_100000765344_200025704644 [0,2,0,0,0,0|0,1,0]=3 6264 B10R0.7 CCOC(=O)CS(=O)(=O)NC 270084a_100102657272_100000738689 [0,2,0,0,0,0|2,0,0]=4 6265 B10R0.7 CCOC(=O)CS(=O)(=O)NC 274078a_100102657272_100000738689 [0,2,0,0,0,0|2,0,0]=4 6266 B10R0.26 C=C(C)C(=O)CC(=O)OCC 1458a_100000185857_100000188475 [0,2,0,0,0,0|1,0,1]=4 6267 B10R0.26 CCCC(=O)CC(C)N(C)C 1458a_100011311895_100000210303 [0,2,0,0,0,0|2,0,0]=4 6268 B10R0.26 CCNC(=O)CC(C)N(C)C 240690a_100015525214_100011311895 [0,2,0,0,0,0|2,0,0]=4 6269 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [0,2,0,0,0,0|1,0,1]=4 6270 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [0,2,0,0,0,0|1,0,1]=4 6271 B10R0.26 CCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000188475 [0,2,0,0,0,0|1,0,1]=4 6272 B10R0.26 CCOC(=O)CC(=O)N(C)C 240690a_100102631434_100000243816 [0,2,0,0,0,0|1,0,1]=4 6273 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [0,2,0,0,0,0|1,0,1]=4 6274 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [0,2,0,0,0,0|1,0,1]=4 6275 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,2,0,0,0,0|1,0,0]=3 6276 B10R0.26 CCOC(=O)CC(C)N(C)C 2230a_100102631434_100009817359 [0,2,0,0,0,0|1,0,0]=3 6277 B10R0.26 CCOC(=O)CC(C)N(C)C 269982a_100102631434_100009817359 [0,2,0,0,0,0|1,0,0]=3 6278 B10R0.26 CCOC(=O)CN(C)C(=O)C 11a_100000220588_100015343762 [0,2,0,0,0,0|2,0,0]=4 6279 B10R0.26 CCOC(=O)CN(C)C(=O)C 1626a_100000220588_100015343762 [0,2,0,0,0,0|2,0,0]=4 6280 B10R0.26 CCOC(=O)CN(C)C(=O)C 240690a_100000220588_100015343762 [0,2,0,0,0,0|2,0,0]=4 6281 B10R0.26 CCOC(=O)CN(C)C(=O)C 527a_100000220588_100103153847 [0,2,0,0,0,0|2,0,0]=4 6282 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000220588_100000210206 [0,2,0,0,0,0|2,0,0]=4 6283 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000717205_200000210301 [0,2,0,0,0,0|2,0,0]=4 6284 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_100000717205_200000210301 [0,2,0,0,0,0|2,0,0]=4 6285 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_200000211004_100000188475 [0,2,0,0,0,0|2,0,0]=4 6286 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 2230a_100000717205_200025704644 [0,2,0,0,0,0|2,0,0]=4 6287 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 269982a_100000717205_200025704644 [0,2,0,0,0,0|2,0,0]=4 6288 B10R0.26 CCOC(=O)OC(C)N(C)C 269982a_100102631434_100000036008 [0,2,0,0,0,0|2,0,0]=4 6289 B10R0.34 CCCC(=O)CC(CC)CC 1458a_100000211992_100011215472 [0,2,0,0,0,0|2,0,0]=4 6290 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000082724_100000210303 [0,2,0,0,0,0|1,1,0]=4 6291 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000211992_100000751394 [0,2,0,0,0,0|1,1,0]=4 6292 B10R0.34 CCNC(=O)CC(OC)OC 11a_100015525214_100000082724 [0,2,0,0,0,0|1,1,0]=4 6293 B10R0.34 CCNC(=O)CC(OC)OC 240690a_100015525214_100000082724 [0,2,0,0,0,0|1,1,0]=4 6294 B10R0.34 CCNC(=O)CC(OC)OC 527a_100015525214_100000082724 [0,2,0,0,0,0|1,1,0]=4 6295 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000220607_100000210202 [0,2,0,0,0,0|2,0,0]=4 6296 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000724800_100000188475 [0,2,0,0,0,0|2,0,0]=4 6297 B10R0.34 CCOC(=O)CN(CC)CC 269956a_100000042499_100000188475 [0,2,0,0,0,0|2,0,0]=4 6298 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000220607_100000204670 [0,2,0,0,0,0|2,0,0]=4 6299 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000724800_100000188475 [0,2,0,0,0,0|2,0,0]=4 6300 B10R0.34 CCOC(=O)CN(CC)CF 269982a_100000220607_100015361967 [0,2,0,0,0,0|2,0,0]=4 6301 B10R0.34 CCOC(=O)C[C@@H](CCl)OC 7a_100000688340_200000210301 [0,2,0,0,0,0|0,1,0]=3 6302 B10R0.34 CCOC(=O)C[C@@H](CCl)O[13CH3] 7a_100000688340_200025704644 [0,2,0,0,0,0|0,1,0]=3 6303 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100000211992_100011219200 [0,2,0,0,0,0|2,0,0]=4 6304 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100011416436_100000210303 [0,2,0,0,0,0|2,0,0]=4 6305 B10R0.33 CCCC(=O)C(CCC)OC 34a_200011216804_200000210301 [0,2,0,0,0,0|2,0,0]=4 6306 B10R0.33 CCCC(=O)C(CCC)OC 7a_200011216804_200000210301 [0,2,0,0,0,0|2,0,0]=4 6307 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 34a_200011216804_200025704644 [0,2,0,0,0,0|2,0,0]=4 6308 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 7a_200011216804_200025704644 [0,2,0,0,0,0|2,0,0]=4 6309 B10R0.33 CCCC(CC)C(=O)NCC 11a_100015525214_100011416436 [0,2,0,0,0,0|2,0,0]=4 6310 B10R0.33 CCCC(CC)C(=O)NCC 240690a_100015525214_100011416436 [0,2,0,0,0,0|2,0,0]=4 6311 B10R0.33 CCCC(CC)C(=O)NCC 527a_100015525214_100011416436 [0,2,0,0,0,0|2,0,0]=4 6312 B10R0.33 CCCC(NC)C(=O)OCC 2230a_106832991635_100000695697 [0,2,0,0,0,0|1,0,0]=3 6313 B10R0.33 CCCC(NC)C(=O)OCC 34a_100102657272_100000695697 [0,2,0,0,0,0|1,0,0]=3 6314 B10R0.33 CCCC(NC)C(=O)OCC 7a_106832991635_100000695697 [0,2,0,0,0,0|1,0,0]=3 6315 B10R0.33 CCCC(OC)C(=O)OCC 34a_100138415774_100000695697 [0,2,0,0,0,0|1,0,0]=3 6316 B10R0.33 CCCC(OC)C(=O)OCC 34a_200011218214_200000210301 [0,2,0,0,0,0|1,0,0]=3 6317 B10R0.33 CCCC(OC)C(=O)OCC 7a_200011218214_200000210301 [0,2,0,0,0,0|1,0,0]=3 6318 B10R0.33 CCCC(O[13CH3])C(=O)OCC 34a_200011218214_200025704644 [0,2,0,0,0,0|1,0,0]=3 6319 B10R0.33 CCCC(O[13CH3])C(=O)OCC 7a_200011218214_200025704644 [0,2,0,0,0,0|1,0,0]=3 6320 B10R0.33 CCCC(SC)C(=O)OCC 62a_100000695697_200000210301 [0,2,0,0,0,0|1,0,0]=3 6321 B10R0.33 CCCC(SC)C(=O)OCC 62a_200000210301_100000695697 [0,2,0,0,0,0|1,0,0]=3 6322 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_100000695697_200025704644 [0,2,0,0,0,0|1,0,0]=3 6323 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_200025704644_100000695697 [0,2,0,0,0,0|1,0,0]=3 6324 B10R0.33 CCNC(CC)C(=O)OCC 2230a_100015525214_100000212269 [0,2,0,0,0,0|2,0,0]=4 6325 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000053139_100000210202 [0,2,0,0,0,0|2,0,0]=4 6326 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000210202_100000053139 [0,2,0,0,0,0|2,0,0]=4 6327 B10R0.33 CCOC(=O)C(CC)OCC 34a_100011216719_100000210202 [0,2,0,0,0,0|2,0,0]=4 6328 B10R0.33 CCOC(=O)C(CC)OCC 34a_100121572206_100000212269 [0,2,0,0,0,0|2,0,0]=4 6329 B10R0.33 CCOC(=O)C(CC)OCC 7a_100011216719_100000210202 [0,2,0,0,0,0|2,0,0]=4 6330 B10R0.33 CCOC(=O)C(CC)SCC 62a_100000210202_100000212269 [0,2,0,0,0,0|2,0,0]=4 6331 B10R0.33 CCOC(=O)C(CC)SCC 62a_100000212269_100000210202 [0,2,0,0,0,0|2,0,0]=4 6332 B10R0.33 CCOC(=O)C(NC)OCC 34a_100102657272_100000033883 [0,2,0,0,0,0|2,0,0]=4 6333 B10R0.33 CCOC(=O)C(OC)OCC 34a_100138415774_100000033883 [0,2,0,0,0,0|2,0,0]=4 6334 B10R0.33 CCOC(=O)C(OCC)SC 34a_100121572206_100009893047 [0,2,0,0,0,0|2,0,0]=4 6335 B10R0.33 CCOC(=O)C(OCC)SC 62a_100000033883_200000210301 [0,2,0,0,0,0|2,0,0]=4 6336 B10R0.33 CCOC(=O)C(OCC)SC 62a_200000210301_100000033883 [0,2,0,0,0,0|2,0,0]=4 6337 B10R0.33 CCOC(=O)C(OCC)S[13CH3] 62a_100000033883_200025704644 [0,2,0,0,0,0|2,0,0]=4 6338 B10R0.33 CCOC(=O)C(OCC)S[13CH3] 62a_200025704644_100000033883 [0,2,0,0,0,0|2,0,0]=4 6339 B10R0.33 CCOC(=O)C(SC)SCC 62a_100000210202_100009893047 [0,2,0,0,0,0|2,0,0]=4 6340 B10R0.33 CCOC(=O)C(SC)SCC 62a_100009893047_100000210202 [0,2,0,0,0,0|2,0,0]=4 6341 B10R0.129 CCCC(=O)C(C)(C)CCC 1458a_100011215034_100000210303 [0,2,0,0,0,0|2,0,0]=4 6342 B10R0.129 CCCC(C)(C)C(=O)NCC 11a_100015525214_100011215034 [0,2,0,0,0,0|2,0,0]=4 6343 B10R0.129 CCCC(C)(C)C(=O)NCC 240690a_100015525214_100011215034 [0,2,0,0,0,0|2,0,0]=4 6344 B10R0.129 CCCC(C)(C)C(=O)NCC 527a_100015525214_100011215034 [0,2,0,0,0,0|2,0,0]=4 6345 B10R0.129 CCNC(=O)C(C)(C)CSC 62a_100011895991_200000210301 [0,2,0,0,0,0|1,0,0]=3 6346 B10R0.129 CCNC(=O)C(C)(C)CSC 62a_200000210301_100011895991 [0,2,0,0,0,0|1,0,0]=3 6347 B10R0.129 CCNC(=O)C(C)(C)CS[13CH3] 62a_100011895991_200025704644 [0,2,0,0,0,0|1,0,0]=3 6348 B10R0.129 CCNC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100011895991 [0,2,0,0,0,0|1,0,0]=3 6349 B10R0.129 CCNC(C)(C)C(=O)OCC 2230a_100015525214_100011216345 [0,2,0,0,0,0|2,0,0]=4 6350 B10R0.129 CCOC(=O)C(C)(C)CNC 2230a_106832991635_100011219049 [0,2,0,0,0,0|1,0,0]=3 6351 B10R0.129 CCOC(=O)C(C)(C)COC 7a_100011765865_200000210301 [0,2,0,0,0,0|0,1,0]=3 6352 B10R0.129 CCOC(=O)C(C)(C)CO[13CH3] 7a_100011765865_200025704644 [0,2,0,0,0,0|0,1,0]=3 6353 B10R0.129 CCOC(=O)C(C)(C)CSC 62a_100011219049_200000210301 [0,2,0,0,0,0|0,0,0]=2 6354 B10R0.129 CCOC(=O)C(C)(C)CSC 62a_200000210301_100011219049 [0,2,0,0,0,0|0,0,0]=2 6355 B10R0.129 CCOC(=O)C(C)(C)CS[13CH3] 62a_100011219049_200025704644 [0,2,0,0,0,0|0,0,0]=2 6356 B10R0.129 CCOC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100011219049 [0,2,0,0,0,0|0,0,0]=2 6357 B10R0.129 CCOC(=O)C(C)(C)OCC 34a_100000686869_100000210202 [0,2,0,0,0,0|2,0,0]=4 6358 B10R0.129 CCOC(=O)C(C)(C)OCC 7a_100000686869_100000210202 [0,2,0,0,0,0|2,0,0]=4 6359 B10R0.129 CCOC(=O)C(C)(C)SCC 62a_100000210202_100011216345 [0,2,0,0,0,0|2,0,0]=4 6360 B10R0.129 CCOC(=O)C(C)(C)SCC 62a_100011216345_100000210202 [0,2,0,0,0,0|2,0,0]=4 6361 B10R0.129 CCOC(=O)C(F)(F)CNC 34a_100102657272_100009817193 [0,2,0,0,0,0|1,0,0]=3 6362 B10R0.129 CCOC(=O)C(F)(F)COC 34a_100138415774_100009817193 [0,2,0,0,0,0|0,1,0]=3 6363 B10R0.129 CCOC(=O)C(F)(F)CSC 62a_100009817193_200000210301 [0,2,0,0,0,0|0,0,0]=2 6364 B10R0.129 CCOC(=O)C(F)(F)CSC 62a_200000210301_100009817193 [0,2,0,0,0,0|0,0,0]=2 6365 B10R0.129 CCOC(=O)C(F)(F)CS[13CH3] 62a_100009817193_200025704644 [0,2,0,0,0,0|0,0,0]=2 6366 B10R0.129 CCOC(=O)C(F)(F)CS[13CH3] 62a_200025704644_100009817193 [0,2,0,0,0,0|0,0,0]=2 6367 B10R0.129 CCOC(=O)C(F)(F)OCC 34a_100121572206_100000210910 [0,2,0,0,0,0|2,0,0]=4 6368 B10R0.129 CCOC(=O)C(F)(F)SCC 62a_100000210202_100000210910 [0,2,0,0,0,0|2,0,0]=4 6369 B10R0.129 CCOC(=O)C(F)(F)SCC 62a_100000210910_100000210202 [0,2,0,0,0,0|2,0,0]=4 6370 B10R0.88 CCCCC(OCC)C(=O)N 34a_100121572206_100000748834 [0,2,0,0,0,0|1,0,1]=4 6371 B10R0.88 CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210202 [0,2,0,0,0,0|1,0,1]=4 6372 B10R0.88 CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210202 [0,2,0,0,0,0|1,0,1]=4 6373 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [0,2,0,0,0,0|1,0,1]=4 6374 B10R0.90 CCOC(CCSC)OCC 62a_100000033671_200000210301 [0,2,0,0,0,0|0,0,2]=4 6375 B10R0.90 CCOC(CCSC)OCC 62a_200000210301_100000033671 [0,2,0,0,0,0|0,0,2]=4 6376 B10R0.90 CCOC(CCS[13CH3])OCC 62a_100000033671_200025704644 [0,2,0,0,0,0|0,0,2]=4 6377 B10R0.90 CCOC(CCS[13CH3])OCC 62a_200025704644_100000033671 [0,2,0,0,0,0|0,0,2]=4 6378 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000211992_100000755188 [0,2,0,0,0,0|2,0,0]=4 6379 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210303 [0,2,0,0,0,0|2,0,0]=4 6380 B10R0.109 CCCC(=O)CCC(C)(F)F 1458a_100000030992_100000210303 [0,2,0,0,0,0|2,0,0]=4 6381 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000211992_100000731031 [0,2,0,0,0,0|1,0,1]=4 6382 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210303 [0,2,0,0,0,0|1,0,1]=4 6383 B10R0.109 CCCC(=O)CC[N+](C)(C)C 1458a_100000211992_100000085578 [0,2,0,0,0,0|2,0,0]=4 6384 B10R0.109 CCCC(=O)CC[Si](C)(C)C 1458a_100000211992_200000733723 [0,2,0,0,0,0|2,0,0]=4 6385 B10R0.109 CCCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210303 [0,2,0,0,0,0|2,0,0]=4 6386 B10R0.109 CCNC(=O)CCC(C)(C)C 11a_100015525214_100000757465 [0,2,0,0,0,0|2,0,0]=4 6387 B10R0.109 CCNC(=O)CCC(C)(C)C 240690a_100015525214_100000757465 [0,2,0,0,0,0|2,0,0]=4 6388 B10R0.109 CCNC(=O)CCC(C)(C)C 527a_100015525214_100000757465 [0,2,0,0,0,0|2,0,0]=4 6389 B10R0.109 CCNC(=O)CCC(C)(F)F 11a_100015525214_100000030992 [0,2,0,0,0,0|2,0,0]=4 6390 B10R0.109 CCNC(=O)CCC(C)(F)F 240690a_100015525214_100000030992 [0,2,0,0,0,0|2,0,0]=4 6391 B10R0.109 CCNC(=O)CCC(C)(F)F 527a_100015525214_100000030992 [0,2,0,0,0,0|2,0,0]=4 6392 B10R0.109 CCNC(=O)CCS(=O)(=O)C 11a_100015525214_100000737124 [0,2,0,0,0,0|1,0,1]=4 6393 B10R0.109 CCNC(=O)CCS(=O)(=O)C 240690a_100015525214_100000737124 [0,2,0,0,0,0|1,0,1]=4 6394 B10R0.109 CCNC(=O)CCS(=O)(=O)C 527a_100015525214_100000737124 [0,2,0,0,0,0|1,0,1]=4 6395 B10R0.109 CCNC(=O)CC[Si](C)(C)C 240690a_100015525214_100011215282 [0,2,0,0,0,0|2,0,0]=4 6396 B10R0.109 CCNC(=O)CC[Si](C)(C)C 527a_100015525214_100011215282 [0,2,0,0,0,0|2,0,0]=4 6397 B10R0.109 CCOC(=O)CNC(C)(C)C 2230a_100000715429_100000188475 [0,2,0,0,0,0|2,0,0]=4 6398 B10R0.109 CCOC(=O)COC(C)(C)C 34a_100015890283_100000188475 [0,2,0,0,0,0|2,0,0]=4 6399 B10R0.109 CCOC(=O)COC(C)(C)C 7a_100015890283_100000188475 [0,2,0,0,0,0|2,0,0]=4 6400 B10R0.109 CCOC(=O)CSC(C)(C)C 62a_100000188475_100000211941 [0,2,0,0,0,0|2,0,0]=4 6401 B10R0.109 CCOC(=O)CSC(C)(C)C 62a_100000211941_100000188475 [0,2,0,0,0,0|2,0,0]=4 6402 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [1,0,0,1,0,0|1,0,1]=4 6403 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [1,0,0,1,0,0|1,0,1]=4 6404 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [1,0,0,1,0,0|1,0,1]=4 6405 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [1,0,0,1,0,0|1,0,1]=4 6406 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,0,0,1,0,0|1,1,0]=4 6407 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [1,0,0,1,0,0|0,1,1]=4 6408 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [1,0,0,1,0,0|1,0,1]=4 6409 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [1,0,0,1,0,0|1,0,1]=4 6410 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|1,0,1]=4 6411 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|1,0,1]=4 6412 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,1,0,0|2,0,0]=4 6413 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [1,0,0,1,0,0|0,0,1]=3 6414 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [1,0,0,1,0,0|0,1,1]=4 6415 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [1,0,0,1,0,0|1,0,1]=4 6416 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [1,0,0,1,0,0|1,0,1]=4 6417 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,0,0,1,0,0|1,1,0]=4 6418 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [1,0,0,1,0,0|0,1,1]=4 6419 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [1,0,0,1,0,0|1,0,1]=4 6420 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [1,0,0,1,0,0|1,0,1]=4 6421 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|1,0,1]=4 6422 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|1,0,1]=4 6423 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,1,0,0|2,0,0]=4 6424 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [1,0,0,1,0,0|0,0,1]=3 6425 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [1,0,0,1,0,0|0,1,1]=4 6426 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [1,0,0,1,0,0|2,0,0]=4 6427 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [1,0,0,1,0,0|2,0,0]=4 6428 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [1,0,0,1,0,0|1,0,1]=4 6429 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 6430 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,1,0,0|1,0,1]=4 6431 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 6432 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [1,0,0,1,0,0|0,1,1]=4 6433 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [1,0,0,1,0,0|0,0,1]=3 6434 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [1,0,0,1,0,0|0,1,1]=4 6435 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [1,0,0,1,0,0|1,0,1]=4 6436 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [1,0,0,1,0,0|1,0,1]=4 6437 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [1,0,0,1,0,0|1,0,1]=4 6438 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [1,0,0,1,0,0|1,0,1]=4 6439 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [1,0,0,1,0,0|1,0,1]=4 6440 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [1,0,0,1,0,0|0,1,1]=4 6441 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [1,0,0,1,0,0|0,1,1]=4 6442 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,1,0,0|1,0,1]=4 6443 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,1,0,0|1,0,1]=4 6444 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [1,0,0,1,0,0|2,0,0]=4 6445 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [1,0,0,1,0,0|2,0,0]=4 6446 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [1,0,0,1,0,0|0,0,1]=3 6447 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [1,0,0,1,0,0|0,0,1]=3 6448 B8R1.8 FCOC1CCSC1 7a_100011232664_100015361967 [1,0,0,1,0,0|1,0,1]=4 6449 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [1,0,0,1,0,0|1,0,1]=4 6450 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [1,0,0,1,0,0|1,0,1]=4 6451 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [1,0,0,1,0,0|0,1,1]=4 6452 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,1,0,0|1,0,1]=4 6453 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,1,0,0|1,0,1]=4 6454 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [1,0,0,1,0,0|2,0,0]=4 6455 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [1,0,0,1,0,0|2,0,0]=4 6456 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [1,0,0,1,0,0|0,0,1]=3 6457 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [1,0,0,1,0,0|0,0,1]=3 6458 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [1,0,0,1,0,0|1,0,1]=4 6459 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [1,0,0,1,0,0|1,0,1]=4 6460 B8R1.10 CCCOC1CSC1 7a_100000072292_100000210303 [1,0,0,1,0,0|2,0,0]=4 6461 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [1,0,0,1,0,0|1,0,1]=4 6462 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [1,0,0,1,0,0|1,0,1]=4 6463 B8R1.10 CCOCC1CNC1 34a_100016987283_100000210202 [1,0,0,1,0,0|1,0,1]=4 6464 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [1,0,0,1,0,0|0,1,1]=4 6465 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [1,0,0,1,0,0|0,1,1]=4 6466 B8R1.10 CSCCN1CCC1 269982a_100000754969_100000212216 [1,0,0,1,0,0|2,0,0]=4 6467 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [1,0,0,1,0,0|1,0,1]=4 6468 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [1,0,0,1,0,0|1,0,1]=4 6469 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [1,0,0,1,0,0|1,0,1]=4 6470 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [1,0,0,1,0,0|1,0,1]=4 6471 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [1,0,0,1,0,0|1,0,1]=4 6472 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [1,0,0,1,0,0|1,0,1]=4 6473 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [1,0,0,1,0,0|1,0,1]=4 6474 B8R1.36 CCCSCC1CS1 62a_100000031435_100000210303 [1,0,0,1,0,0|2,0,0]=4 6475 B8R1.36 CCCSCC1CS1 62a_100000210303_100000031435 [1,0,0,1,0,0|2,0,0]=4 6476 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [1,0,0,1,0,0|1,0,1]=4 6477 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [1,0,0,1,0,0|1,0,1]=4 6478 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [1,0,0,1,0,0|1,0,1]=4 6479 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|0,1,1]=4 6480 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|0,1,1]=4 6481 B8R1.36 CSCCNC1CC1 34a_100000212008_100000212216 [1,0,0,1,0,0|2,0,0]=4 6482 B8R1.36 CSCCOC1CC1 34a_100000230434_100000211595 [1,0,0,1,0,0|2,0,0]=4 6483 B8R1.36 CSCCSC1CC1 62a_100000212216_100000211595 [1,0,0,1,0,0|2,0,0]=4 6484 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [1,0,0,1,0,0|2,0,0]=4 6485 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [1,0,0,1,0,0|2,0,0]=4 6486 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,0,0,1,0,0|2,0,0]=4 6487 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|0,1,0]=3 6488 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [1,0,0,1,0,0|1,1,0]=4 6489 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,1,0,0|1,1,0]=4 6490 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [1,0,0,1,0,0|2,0,0]=4 6491 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,0,0,1,0,0|1,0,0]=3 6492 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [1,0,0,1,0,0|2,0,0]=4 6493 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|0,1,0]=3 6494 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [1,0,0,1,0,0|1,1,0]=4 6495 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,0,0,1,0,0|1,0,0]=3 6496 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [1,0,0,1,0,0|2,0,0]=4 6497 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [1,0,0,1,0,0|2,0,0]=4 6498 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [1,0,0,1,0,0|2,0,0]=4 6499 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [1,0,0,1,0,0|2,0,0]=4 6500 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [1,0,0,1,0,0|2,0,0]=4 6501 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [1,0,0,1,0,0|2,0,0]=4 6502 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [1,0,0,1,0,0|2,0,0]=4 6503 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [1,0,0,1,0,0|2,0,0]=4 6504 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [1,0,0,1,0,0|2,0,0]=4 6505 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [1,0,0,1,0,0|2,0,0]=4 6506 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|1,0,0]=3 6507 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|1,0,0]=3 6508 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [1,0,0,1,0,0|2,0,0]=4 6509 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [1,0,0,1,0,0|0,1,0]=3 6510 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [1,0,0,1,0,0|0,1,0]=3 6511 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [1,0,0,1,0,0|2,0,0]=4 6512 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [1,0,0,1,0,0|2,0,0]=4 6513 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [1,0,0,1,0,0|2,0,0]=4 6514 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [1,0,0,1,0,0|2,0,0]=4 6515 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [1,0,0,1,0,0|2,0,0]=4 6516 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [1,0,0,1,0,0|2,0,0]=4 6517 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [1,0,0,1,0,0|2,0,0]=4 6518 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [1,0,0,1,0,0|1,1,0]=4 6519 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [1,0,0,1,0,0|1,1,0]=4 6520 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [1,0,0,1,0,0|1,1,0]=4 6521 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [1,0,0,1,0,0|1,1,0]=4 6522 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [1,0,0,1,0,0|2,0,0]=4 6523 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [1,0,0,1,0,0|1,1,0]=4 6524 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [1,0,0,1,0,0|2,0,0]=4 6525 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [1,0,0,1,0,0|1,1,0]=4 6526 B8R1.40 C#CC(=O)CC1CS1 1458a_100000211873_100000031435 [1,0,0,1,0,0|0,0,2]=4 6527 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [1,0,0,1,0,0|0,0,2]=4 6528 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|1,0,0]=3 6529 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|1,0,0]=3 6530 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|0,1,0]=3 6531 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|0,0,0]=2 6532 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|0,1,0]=3 6533 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [1,0,0,1,0,0|2,0,0]=4 6534 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [1,0,0,1,0,0|2,0,0]=4 6535 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [1,0,0,1,0,0|2,0,0]=4 6536 B8R1.40 CCN(C)CC1CS1 269982a_100000225621_100000031435 [1,0,0,1,0,0|2,0,0]=4 6537 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [1,0,0,1,0,0|2,0,0]=4 6538 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [1,0,0,1,0,0|2,0,0]=4 6539 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [1,0,0,1,0,0|2,0,0]=4 6540 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [1,0,0,1,0,0|2,0,0]=4 6541 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [1,0,0,1,0,0|2,0,0]=4 6542 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [1,0,0,1,0,0|2,0,0]=4 6543 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [1,0,0,1,0,0|1,1,0]=4 6544 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [1,0,0,1,0,0|1,0,0]=3 6545 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [1,0,0,1,0,0|1,1,0]=4 6546 B8R1.47 CCN1CC(C1)SC 269982a_100016990038_100000204670 [1,0,0,1,0,0|2,0,0]=4 6547 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [1,0,0,1,0,0|2,0,0]=4 6548 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|1,0,0]=3 6549 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [1,0,0,1,0,0|2,0,0]=4 6550 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [1,0,0,1,0,0|2,0,0]=4 6551 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [1,0,0,1,0,0|2,0,0]=4 6552 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [1,0,0,1,0,0|2,0,0]=4 6553 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [1,0,0,1,0,0|1,0,0]=3 6554 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [1,0,0,1,0,0|1,0,0]=3 6555 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [1,0,0,1,0,0|2,0,0]=4 6556 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|1,0,0]=3 6557 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [1,0,0,1,0,0|2,0,0]=4 6558 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|1,0,0]=3 6559 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [1,0,0,1,0,0|1,0,0]=3 6560 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [1,0,0,1,0,0|1,1,0]=4 6561 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 6562 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 6563 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 6564 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [1,0,0,1,0,0|1,1,0]=4 6565 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [1,0,0,1,0,0|1,1,0]=4 6566 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [1,0,0,1,0,0|1,1,0]=4 6567 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [1,0,0,1,0,0|1,0,1]=4 6568 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [1,0,0,1,0,0|1,0,1]=4 6569 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [1,0,0,1,0,0|2,0,0]=4 6570 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [1,0,0,1,0,0|2,0,0]=4 6571 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [1,0,0,1,0,0|2,0,0]=4 6572 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [1,0,0,1,0,0|2,0,0]=4 6573 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [1,0,0,1,0,0|1,1,0]=4 6574 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [1,0,0,1,0,0|1,1,0]=4 6575 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [1,0,0,1,0,0|1,0,0]=3 6576 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [1,0,0,1,0,0|1,0,0]=3 6577 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [1,0,0,1,0,0|2,0,0]=4 6578 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [1,0,0,1,0,0|1,1,0]=4 6579 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [1,0,0,1,0,0|1,1,0]=4 6580 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [1,0,0,1,0,0|1,0,0]=3 6581 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [1,0,0,1,0,0|1,0,0]=3 6582 B8R1.66 CCOC1(CCC1)C 34a_100000759064_100000210202 [1,0,0,1,0,0|1,0,1]=4 6583 B8R1.66 CCOC1(CCC1)C 7a_100000759064_100000210202 [1,0,0,1,0,0|1,0,1]=4 6584 B8R1.66 CCOC1(CSC1)C 7a_100016018533_100000210202 [1,0,0,1,0,0|1,0,1]=4 6585 B10R1.16 CSCCc1nc(no1)C 270196a_100000212224_100000174002 [0,1,0,1,0,0|1,0,1]=4 6586 B10R1.18 CC(C)OC1CCSCC1 34a_100000212225_100000069128 [0,1,0,1,0,0|1,0,1]=4 6587 B10R1.18 CC(C)OC1CCSCC1 34a_100000731022_100000210206 [0,1,0,1,0,0|1,0,1]=4 6588 B10R1.18 CC(C)OC1CCSCC1 7a_100000731022_100000210206 [0,1,0,1,0,0|1,0,1]=4 6589 B10R1.110 CC(C)CC(=O)C1CC1C 1458a_100000211227_100000210624 [0,1,0,1,0,0|2,0,0]=4 6590 B10R1.110 CC(C)NC(=O)C1CC1C 11a_100138425928_100000211227 [0,1,0,1,0,0|2,0,0]=4 6591 B10R1.110 CC(C)NC(=O)C1CC1C 1626a_100138425928_100000211227 [0,1,0,1,0,0|2,0,0]=4 6592 B10R1.110 CC(C)NC(=O)C1CC1C 527a_100138425928_100000211227 [0,1,0,1,0,0|2,0,0]=4 6593 B10R1.110 CC(O)CC(=O)C1CC1C 1458a_100000211227_100011218427 [0,1,0,1,0,0|2,0,0]=4 6594 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [0,1,0,1,0,0|2,0,0]=4 6595 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [0,1,0,1,0,0|2,0,0]=4 6596 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [0,1,0,1,0,0|2,0,0]=4 6597 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [0,1,0,1,0,0|2,0,0]=4 6598 B10R1.130 CSCc1oc(=O)oc1C 62a_200000210301_100000068490 [0,1,0,1,0,0|0,0,2]=4 6599 B10R1.130 Cc1oc(=O)oc1CS[13CH3] 62a_200025704644_100000068490 [0,1,0,1,0,0|0,0,2]=4 6600 B10R1.180 C#CCCC(=O)CC1CS1 1458a_100000692101_100000031435 [0,1,0,1,0,0|1,0,1]=4 6601 B10R1.180 C=CCCC(=O)CC1CS1 1458a_100000749702_100000031435 [0,1,0,1,0,0|1,0,1]=4 6602 B10R1.180 CC=CCC(=O)CC1CS1 1458a_100121576822_100000031435 [0,1,0,1,0,0|1,0,1]=4 6603 B10R1.180 CCC#CC(=O)CC1CC1 1458a_100011827653_100000742324 [0,1,0,1,0,0|2,0,0]=4 6604 B10R1.180 CCC#CC(=O)CC1CO1 1458a_100011827653_100011216344 [0,1,0,1,0,0|1,1,0]=4 6605 B10R1.180 CCC#CC(=O)CC1CS1 1458a_100011827653_100000031435 [0,1,0,1,0,0|1,0,0]=3 6606 B10R1.180 CCC#CC(=O)C[C@@H]1CO1 1458a_100011827653_100000745022 [0,1,0,1,0,0|1,1,0]=4 6607 B10R1.180 CCC=CC(=O)CC1CC1 1458a_100000212282_100000742324 [0,1,0,1,0,0|2,0,0]=4 6608 B10R1.180 CCC=CC(=O)CC1CO1 1458a_100000212282_100011216344 [0,1,0,1,0,0|1,1,0]=4 6609 B10R1.180 CCC=CC(=O)CC1CS1 1458a_100000212282_100000031435 [0,1,0,1,0,0|1,0,0]=3 6610 B10R1.180 CCC=CC(=O)C[C@@H]1CO1 1458a_100000212282_100000745022 [0,1,0,1,0,0|1,1,0]=4 6611 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000210183_100000742324 [0,1,0,1,0,0|2,0,0]=4 6612 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000738066_100000210211 [0,1,0,1,0,0|2,0,0]=4 6613 B10R1.180 CCCCC(=O)CC1CO1 1458a_100000210183_100011216344 [0,1,0,1,0,0|1,1,0]=4 6614 B10R1.180 CCCCC(=O)CC1CS1 1458a_100000210183_100000031435 [0,1,0,1,0,0|1,0,0]=3 6615 B10R1.180 CCCCC(=O)C[C@@H]1CO1 1458a_100000210183_100000745022 [0,1,0,1,0,0|1,1,0]=4 6616 B10R1.180 CCCCC(=O)NC1CC1 1626a_100000212008_100000210183 [0,1,0,1,0,0|2,0,0]=4 6617 B10R1.180 CCCCC(=O)NC1CC1 240690a_100000212008_100000210183 [0,1,0,1,0,0|2,0,0]=4 6618 B10R1.180 CCCCC(=O)NC1CC1 527a_100000212008_100000210183 [0,1,0,1,0,0|2,0,0]=4 6619 B10R1.180 CCCNC(=O)CC1CC1 11a_100020643023_100000738066 [0,1,0,1,0,0|2,0,0]=4 6620 B10R1.180 CCCNC(=O)CC1CC1 1626a_100020643023_100000738066 [0,1,0,1,0,0|2,0,0]=4 6621 B10R1.180 CCCNC(=O)CC1CC1 240690a_100020643023_100000738066 [0,1,0,1,0,0|2,0,0]=4 6622 B10R1.180 CCCNC(=O)CC1CC1 527a_100020643023_100000738066 [0,1,0,1,0,0|2,0,0]=4 6623 B10R1.180 CCNNC(=O)CC1CC1 22a_100000756455_100000738066 [0,1,0,1,0,0|2,0,0]=4 6624 B10R1.180 CCOCC(=O)CC1CC1 1458a_100000211967_100000742324 [0,1,0,1,0,0|1,0,0]=3 6625 B10R1.180 CCOCC(=O)CC1CO1 1458a_100000211967_100011216344 [0,1,0,1,0,0|0,1,0]=3 6626 B10R1.180 CCOCC(=O)CC1CS1 1458a_100000211967_100000031435 [0,1,0,1,0,0|0,0,0]=2 6627 B10R1.180 CCOCC(=O)C[C@@H]1CO1 1458a_100000211967_100000745022 [0,1,0,1,0,0|0,1,0]=3 6628 B10R1.180 CCOCC(=O)NC1CC1 1626a_100000212008_100000211967 [0,1,0,1,0,0|2,0,0]=4 6629 B10R1.180 CCOCC(=O)NC1CC1 240690a_100000212008_100000211967 [0,1,0,1,0,0|2,0,0]=4 6630 B10R1.180 CCOCC(=O)NC1CC1 34a_100121572206_100000182950 [0,1,0,1,0,0|2,0,0]=4 6631 B10R1.180 CCOCC(=O)NC1CC1 527a_100000212008_100000211967 [0,1,0,1,0,0|2,0,0]=4 6632 B10R1.180 CCSCC(=O)CC1CC1 1458a_100000230394_100000742324 [0,1,0,1,0,0|1,1,0]=4 6633 B10R1.180 CCSCC(=O)CC1CO1 1458a_100000230394_100011216344 [0,1,0,1,0,0|0,2,0]=4 6634 B10R1.180 CCSCC(=O)CC1CS1 1458a_100000230394_100000031435 [0,1,0,1,0,0|0,1,0]=3 6635 B10R1.180 CCSCC(=O)C[C@@H]1CO1 1458a_100000230394_100000745022 [0,1,0,1,0,0|0,2,0]=4 6636 B10R1.180 CNCCC(=O)NC1CC1 2230a_106832991635_100000737409 [0,1,0,1,0,0|2,0,0]=4 6637 B10R1.180 CNCCC(=O)NC1CC1 34a_100102657272_100000737409 [0,1,0,1,0,0|2,0,0]=4 6638 B10R1.180 COC=CC(=O)CC1CS1 1458a_100016268678_100000031435 [0,1,0,1,0,0|1,0,1]=4 6639 B10R1.180 COCCC(=O)CC1CC1 1458a_100000738066_100000233755 [0,1,0,1,0,0|1,1,0]=4 6640 B10R1.180 COCCC(=O)CC1CC1 1458a_100000749529_100000742324 [0,1,0,1,0,0|1,1,0]=4 6641 B10R1.180 COCCC(=O)CC1CO1 1458a_100000749529_100011216344 [0,1,0,1,0,0|1,1,0]=4 6642 B10R1.180 COCCC(=O)CC1CS1 1458a_100000749529_100000031435 [0,1,0,1,0,0|1,0,0]=3 6643 B10R1.180 COCCC(=O)C[C@@H]1CO1 1458a_100000749529_100000745022 [0,1,0,1,0,0|1,1,0]=4 6644 B10R1.180 COCCC(=O)NC1CC1 1626a_100000212008_100000749529 [0,1,0,1,0,0|1,1,0]=4 6645 B10R1.180 COCCC(=O)NC1CC1 240690a_100000212008_100000749529 [0,1,0,1,0,0|1,1,0]=4 6646 B10R1.180 COCCC(=O)NC1CC1 34a_100138415774_100000737409 [0,1,0,1,0,0|1,1,0]=4 6647 B10R1.180 COCCC(=O)NC1CC1 527a_100000212008_100000749529 [0,1,0,1,0,0|1,1,0]=4 6648 B10R1.180 CSCCC(=O)CC1CC1 1458a_100000174002_100000742324 [0,1,0,1,0,0|1,0,0]=3 6649 B10R1.180 CSCCC(=O)CC1CC1 1458a_100000738066_100000751147 [0,1,0,1,0,0|1,0,0]=3 6650 B10R1.180 CSCCC(=O)CC1CO1 1458a_100000174002_100011216344 [0,1,0,1,0,0|1,0,0]=3 6651 B10R1.180 CSCCC(=O)CC1CS1 1458a_100000174002_100000031435 [0,1,0,1,0,0|1,0,0]=3 6652 B10R1.180 CSCCC(=O)C[C@@H]1CO1 1458a_100000174002_100000745022 [0,1,0,1,0,0|1,0,0]=3 6653 B10R1.180 CSCCC(=O)NC1CC1 1626a_100000212008_100000174002 [0,1,0,1,0,0|1,0,0]=3 6654 B10R1.180 CSCCC(=O)NC1CC1 240690a_100000212008_100000174002 [0,1,0,1,0,0|1,0,0]=3 6655 B10R1.180 CSCCC(=O)NC1CC1 527a_100000212008_100000174002 [0,1,0,1,0,0|1,0,0]=3 6656 B10R1.180 CSCCC(=O)NC1CC1 62a_100000737409_200000210301 [0,1,0,1,0,0|1,0,0]=3 6657 B10R1.180 CSCCC(=O)NC1CC1 62a_200000210301_100000737409 [0,1,0,1,0,0|1,0,0]=3 6658 B10R1.180 N#CCCC(=O)CC1CS1 1458a_100011934036_100000031435 [0,1,0,1,0,0|1,0,1]=4 6659 B10R1.180 O=C(C#CCO)CC1CS1 1458a_100000049017_100000031435 [0,1,0,1,0,0|1,0,1]=4 6660 B10R1.180 O=C(CC1CC1)NCCF 11a_100000724931_100000738066 [0,1,0,1,0,0|2,0,0]=4 6661 B10R1.180 O=C(CC1CC1)NCCF 1626a_100000724931_100000738066 [0,1,0,1,0,0|2,0,0]=4 6662 B10R1.180 O=C(CC1CC1)NCCF 240690a_100000724931_100000738066 [0,1,0,1,0,0|2,0,0]=4 6663 B10R1.180 O=C(CC1CC1)NCCF 527a_100000724931_100000738066 [0,1,0,1,0,0|2,0,0]=4 6664 B10R1.180 O=C(CC1CC1)NCCO 240690a_100000210304_100000738066 [0,1,0,1,0,0|2,0,0]=4 6665 B10R1.180 O=C(CC1CC1)NCCO 527a_100000210304_100000738066 [0,1,0,1,0,0|2,0,0]=4 6666 B10R1.180 O=C(CCCF)CC1CC1 1458a_100000738066_100011934791 [0,1,0,1,0,0|2,0,0]=4 6667 B10R1.180 O=C(CCCO)CC1CC1 1458a_100000738066_100011215043 [0,1,0,1,0,0|2,0,0]=4 6668 B10R1.180 [13CH3]SCCC(=O)NC1CC1 62a_100000737409_200025704644 [0,1,0,1,0,0|1,0,0]=3 6669 B10R1.180 [13CH3]SCCC(=O)NC1CC1 62a_200025704644_100000737409 [0,1,0,1,0,0|1,0,0]=3 6670 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000209988_100000210624 [0,1,0,1,0,0|2,0,0]=4 6671 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000210554_100000749161 [0,1,0,1,0,0|2,0,0]=4 6672 B10R1.266 CC(C)CC(=O)C1COC1 1458a_100000210554_100000687716 [0,1,0,1,0,0|1,1,0]=4 6673 B10R1.266 CC(C)CC(=O)C1COC1 1458a_100000758290_100000210624 [0,1,0,1,0,0|1,1,0]=4 6674 B10R1.266 CC(C)NC(=O)C1CCC1 11a_100138425928_100000209988 [0,1,0,1,0,0|2,0,0]=4 6675 B10R1.266 CC(C)NC(=O)C1CCC1 1626a_100138425928_100000209988 [0,1,0,1,0,0|2,0,0]=4 6676 B10R1.266 CC(C)NC(=O)C1CCC1 240690a_100138425928_100000209988 [0,1,0,1,0,0|2,0,0]=4 6677 B10R1.266 CC(C)NC(=O)C1CCC1 527a_100138425928_100000209988 [0,1,0,1,0,0|2,0,0]=4 6678 B10R1.266 CC(C)NC(=O)C1COC1 11a_100138425928_100000758290 [0,1,0,1,0,0|1,1,0]=4 6679 B10R1.266 CC(C)NC(=O)C1COC1 1626a_100138425928_100000758290 [0,1,0,1,0,0|1,1,0]=4 6680 B10R1.266 CC(C)NC(=O)C1COC1 240690a_100138425928_100000758290 [0,1,0,1,0,0|1,1,0]=4 6681 B10R1.266 CC(C)NC(=O)C1COC1 527a_100138425928_100000758290 [0,1,0,1,0,0|1,1,0]=4 6682 B10R1.266 CC(O)CC(=O)C1CCC1 1458a_100000209988_100011218427 [0,1,0,1,0,0|2,0,0]=4 6683 B10R1.266 CC(O)CC(=O)C1COC1 1458a_100000758290_100011218427 [0,1,0,1,0,0|1,1,0]=4 6684 B10R1.266 C[C@@H](O)CC(=O)C1CCC1 1458a_100011933948_100000749161 [0,1,0,1,0,0|2,0,0]=4 6685 B10R1.266 C[C@@H](O)CC(=O)C1COC1 1458a_100011933948_100000687716 [0,1,0,1,0,0|1,1,0]=4 6686 B10R1.268 CC(=CC(=O)CC1CS1)C 1458a_100000211388_100000031435 [0,1,0,1,0,0|1,0,1]=4 6687 B10R1.268 CC(=CC(=O)CC1CS1)Cl 1458a_200042562850_100000031435 [0,1,0,1,0,0|1,0,1]=4 6688 B10R1.268 CC(=CC(=O)CC1CS1)I 1458a_100025716642_100000031435 [0,1,0,1,0,0|1,0,1]=4 6689 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000210554_100000742324 [0,1,0,1,0,0|2,0,0]=4 6690 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000738066_100000210624 [0,1,0,1,0,0|2,0,0]=4 6691 B10R1.268 CC(C)CC(=O)CC1CO1 1458a_100000210554_100011216344 [0,1,0,1,0,0|1,1,0]=4 6692 B10R1.268 CC(C)CC(=O)CC1CS1 1458a_100000210554_100000031435 [0,1,0,1,0,0|1,0,0]=3 6693 B10R1.268 CC(C)CC(=O)C[C@@H]1CO1 1458a_100000210554_100000745022 [0,1,0,1,0,0|1,1,0]=4 6694 B10R1.268 CC(C)NC(=O)CC1CC1 11a_100138425928_100000738066 [0,1,0,1,0,0|2,0,0]=4 6695 B10R1.268 CC(C)NC(=O)CC1CC1 1626a_100138425928_100000738066 [0,1,0,1,0,0|2,0,0]=4 6696 B10R1.268 CC(C)NC(=O)CC1CC1 240690a_100138425928_100000738066 [0,1,0,1,0,0|2,0,0]=4 6697 B10R1.268 CC(C)NC(=O)CC1CC1 527a_100138425928_100000738066 [0,1,0,1,0,0|2,0,0]=4 6698 B10R1.268 CC(O)CC(=O)CC1CC1 1458a_100000738066_100011218427 [0,1,0,1,0,0|2,0,0]=4 6699 B10R1.268 CN(C)CC(=O)CC1CS1 1458a_100000750896_100000031435 [0,1,0,1,0,0|2,0,0]=4 6700 B10R1.268 C[C@@H](O)CC(=O)CC1CC1 1458a_100011933948_100000742324 [0,1,0,1,0,0|2,0,0]=4 6701 B10R1.268 C[C@@H](O)CC(=O)CC1CO1 1458a_100011933948_100011216344 [0,1,0,1,0,0|1,1,0]=4 6702 B10R1.268 C[C@@H](O)CC(=O)CC1CS1 1458a_100011933948_100000031435 [0,1,0,1,0,0|1,0,0]=3 6703 B10R1.268 C[C@@H](O)CC(=O)C[C@@H]1CO1 1458a_100011933948_100000745022 [0,1,0,1,0,0|1,1,0]=4 6704 B10R1.268 C[S+](C)CC(=O)CC1CS1 1458a_200159257847_100000031435 [0,1,0,1,0,0|2,0,0]=4 6705 B10R1.293 CC1CC1C(=O)CCCF 1458a_100000211227_100011934791 [0,1,0,1,0,0|2,0,0]=4 6706 B10R1.293 CC1CC1C(=O)CCCO 1458a_100000211227_100011215043 [0,1,0,1,0,0|2,0,0]=4 6707 B10R1.293 CC1CC1C(=O)NCCF 11a_100000724931_100000211227 [0,1,0,1,0,0|2,0,0]=4 6708 B10R1.293 CC1CC1C(=O)NCCF 1626a_100000724931_100000211227 [0,1,0,1,0,0|2,0,0]=4 6709 B10R1.293 CC1CC1C(=O)NCCF 527a_100000724931_100000211227 [0,1,0,1,0,0|2,0,0]=4 6710 B10R1.293 CC1CC1C(=O)NCCO 527a_100000210304_100000211227 [0,1,0,1,0,0|2,0,0]=4 6711 B10R1.293 CCCCC(=O)C1CC1C 1458a_100000211227_100000210211 [0,1,0,1,0,0|2,0,0]=4 6712 B10R1.293 CCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210211 [0,1,0,1,0,0|2,0,0]=4 6713 B10R1.293 CCCNC(=O)C1CC1C 11a_100020643023_100000211227 [0,1,0,1,0,0|2,0,0]=4 6714 B10R1.293 CCCNC(=O)C1CC1C 1626a_100020643023_100000211227 [0,1,0,1,0,0|2,0,0]=4 6715 B10R1.293 CCCNC(=O)C1CC1C 527a_100020643023_100000211227 [0,1,0,1,0,0|2,0,0]=4 6716 B10R1.293 CCNNC(=O)C1CC1C 22a_100000756455_100000211227 [0,1,0,1,0,0|2,0,0]=4 6717 B10R1.293 COCCC(=O)C1CC1C 1458a_100000211227_100000233755 [0,1,0,1,0,0|1,1,0]=4 6718 B10R1.293 COCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000233755 [0,1,0,1,0,0|1,1,0]=4 6719 B10R1.293 CSCCC(=O)C1CC1C 1458a_100000211227_100000751147 [0,1,0,1,0,0|1,0,0]=3 6720 B10R1.293 CSCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000751147 [0,1,0,1,0,0|1,0,0]=3 6721 B10R1.10 C#CCN1CCOC(=O)C1 2230a_100000131268_100000038162 [0,1,0,1,0,0|1,0,1]=4 6722 B10R1.10 C=CCN1CCOC(=O)C1 2230a_100000131268_100000210623 [0,1,0,1,0,0|1,0,1]=4 6723 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,1,0,1,0,0|2,0,0]=4 6724 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,1,0,1,0,0|1,0,0]=3 6725 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,1,0,1,0,0|2,0,0]=4 6726 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,1,0,1,0,0|2,0,0]=4 6727 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,1,0,0|1,1,0]=4 6728 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,1,0,1,0,0|1,1,0]=4 6729 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,1,0,1,0,0|1,1,0]=4 6730 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,1,0,1,0,0|1,1,0]=4 6731 B10R1.10 COCN1CCNC(=O)C1 2230a_100000184651_100000766300 [0,1,0,1,0,0|1,1,0]=4 6732 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,1,0,1,0,0|0,1,0]=3 6733 B10R1.10 CSCN1CCC=C(C1)C 2230a_100000725631_100011218213 [0,1,0,1,0,0|2,0,0]=4 6734 B10R1.10 CSCN1CCC=C(C1)C 269982a_100000725631_100011218213 [0,1,0,1,0,0|2,0,0]=4 6735 B10R1.10 CSCN1CCC=C(C1)C 34a_100000725631_100011218213 [0,1,0,1,0,0|2,0,0]=4 6736 B10R1.10 CSCN1CCNC(=O)C1 2230a_100000184651_100011218213 [0,1,0,1,0,0|1,0,0]=3 6737 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,1,0,1,0,0|0,0,0]=2 6738 B10R1.10 CSCN1CCOC(C1)C 2230a_100000729577_100011218213 [0,1,0,1,0,0|1,0,1]=4 6739 B10R1.10 CSCN1CCOC(C1)C 269982a_100000729577_100011218213 [0,1,0,1,0,0|1,0,1]=4 6740 B10R1.10 CSCN1CCOC(C1)C 34a_100000729577_100011218213 [0,1,0,1,0,0|1,0,1]=4 6741 B10R1.10 CSCN1CCOC(C1)O 2230a_100000688207_100011218213 [0,1,0,1,0,0|0,0,2]=4 6742 B10R1.10 CSCN1CCOC(C1)O 269982a_100000688207_100011218213 [0,1,0,1,0,0|0,0,2]=4 6743 B10R1.10 N#CCN1CCOC(=O)C1 2230a_100000131268_100011215382 [0,1,0,1,0,0|2,0,0]=4 6744 B10R1.10 O=C1CC(CCN1)NCF 34a_100016994916_100015361967 [0,1,0,1,0,0|2,0,0]=4 6745 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,1,0,1,0,0|1,1,0]=4 6746 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,1,0,1,0,0|2,0,0]=4 6747 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,1,0,1,0,0|2,0,0]=4 6748 B10R1.10 O=C1C[C@@H](CCN1)OCF 34a_100015189427_100015361967 [0,1,0,1,0,0|1,1,0]=4 6749 B10R1.10 O=CCN1CCOC(=O)C1 2230a_100000131268_200015260668 [0,1,0,1,0,0|2,0,0]=4 6750 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,1,0,1,0,0|1,1,0]=4 6751 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,1,0,1,0,0|1,1,0]=4 6752 B10R1.11 CC=CC(=O)N1CCSC1 11a_100011215254_100000210699 [0,1,0,1,0,0|1,0,1]=4 6753 B10R1.11 CC=CC(=O)N1CCSC1 240690a_100011215254_100000210699 [0,1,0,1,0,0|1,0,1]=4 6754 B10R1.11 CCCC(=O)C1CC=CC1 1458a_100000759439_100000210303 [0,1,0,1,0,0|2,0,0]=4 6755 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,1,0,1,0,0|2,0,0]=4 6756 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,1,0,1,0,0|2,0,0]=4 6757 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,1,0,1,0,0|2,0,0]=4 6758 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [0,1,0,1,0,0|1,1,0]=4 6759 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [0,1,0,1,0,0|1,1,0]=4 6760 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [0,1,0,1,0,0|2,0,0]=4 6761 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [0,1,0,1,0,0|2,0,0]=4 6762 B10R1.11 CCCC(=O)N1CCSC1 11a_100011215254_100000211992 [0,1,0,1,0,0|1,0,0]=3 6763 B10R1.11 CCCC(=O)N1CCSC1 240690a_100011215254_100000211992 [0,1,0,1,0,0|1,0,0]=3 6764 B10R1.11 CCCC(=O)N1CCSC1 527a_100011215254_100000211992 [0,1,0,1,0,0|1,0,0]=3 6765 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,1,0,1,0,0|2,0,0]=4 6766 B10R1.11 CCNC(=O)C1CC=CC1 11a_100015525214_100000759439 [0,1,0,1,0,0|2,0,0]=4 6767 B10R1.11 CCNC(=O)C1CC=CC1 240690a_100015525214_100000759439 [0,1,0,1,0,0|2,0,0]=4 6768 B10R1.11 CCNC(=O)C1CC=CC1 527a_100015525214_100000759439 [0,1,0,1,0,0|2,0,0]=4 6769 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,1,0,1,0,0|2,0,0]=4 6770 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,1,0,1,0,0|2,0,0]=4 6771 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,1,0,1,0,0|2,0,0]=4 6772 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,1,0,1,0,0|2,0,0]=4 6773 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,1,0,1,0,0|2,0,0]=4 6774 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,1,0,1,0,0|2,0,0]=4 6775 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [0,1,0,1,0,0|1,1,0]=4 6776 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [0,1,0,1,0,0|1,1,0]=4 6777 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [0,1,0,1,0,0|1,1,0]=4 6778 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [0,1,0,1,0,0|2,0,0]=4 6779 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [0,1,0,1,0,0|2,0,0]=4 6780 B10R1.11 CCNC(=O)N1CCSC1 2708a_100015525214_100011215254 [0,1,0,1,0,0|1,0,0]=3 6781 B10R1.11 CCNC(=O)N1CCSC1 273464a_100015525214_100011215254 [0,1,0,1,0,0|1,0,0]=3 6782 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,1,0,1,0,0|2,0,0]=4 6783 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,1,0,1,0,0|2,0,0]=4 6784 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,1,0,1,0,0|2,0,0]=4 6785 B10R1.11 COCC(=O)N1CCSC1 11a_100011215254_100000210968 [0,1,0,1,0,0|2,0,0]=4 6786 B10R1.11 COCC(=O)N1CCSC1 240690a_100011215254_100000210968 [0,1,0,1,0,0|2,0,0]=4 6787 B10R1.11 COCC(=O)N1CCSC1 527a_100011215254_100000210968 [0,1,0,1,0,0|2,0,0]=4 6788 B10R1.11 CSCC(=O)N1CCSC1 11a_100011215254_100000184570 [0,1,0,1,0,0|2,0,0]=4 6789 B10R1.11 CSCC(=O)N1CCSC1 240690a_100011215254_100000184570 [0,1,0,1,0,0|2,0,0]=4 6790 B10R1.11 CSCC(=O)N1CCSC1 527a_100011215254_100000184570 [0,1,0,1,0,0|2,0,0]=4 6791 B10R1.11 O=C(CCO)N1CCSC1 240690a_100011215254_100011216618 [0,1,0,1,0,0|2,0,0]=4 6792 B10R1.21 CCSCCC1OCCO1 62a_100000210202_100000740749 [0,1,0,1,0,0|0,0,2]=4 6793 B10R1.21 CSCCCC1OCCO1 62a_200000210301_100000042513 [0,1,0,1,0,0|0,0,2]=4 6794 B10R1.21 CSCCOC1CCCO1 34a_100000085407_100000212216 [0,1,0,1,0,0|1,0,1]=4 6795 B10R1.21 CSCNCC1OCCO1 2230a_100000036311_100011218213 [0,1,0,1,0,0|0,0,2]=4 6796 B10R1.21 CSCNCC1OCCO1 34a_100000036311_100011218213 [0,1,0,1,0,0|0,0,2]=4 6797 B10R1.21 CSCNC[C@@H]1CCCO1 2230a_100020590478_100011218213 [0,1,0,1,0,0|1,0,1]=4 6798 B10R1.21 CSCNC[C@@H]1CCCO1 34a_100020590478_100011218213 [0,1,0,1,0,0|1,0,1]=4 6799 B10R1.21 CSCOCC1CCCO1 34a_100000210270_100011218213 [0,1,0,1,0,0|1,0,1]=4 6800 B10R1.21 CSCOCC1OCCO1 34a_100000087154_100011218213 [0,1,0,1,0,0|0,0,2]=4 6801 B10R1.21 CSCSCC1=NCCN1 62a_100000737910_100011218213 [0,1,0,1,0,0|2,0,0]=4 6802 B10R1.21 CSCSCC1=NCCN1 62a_100011218213_100000737910 [0,1,0,1,0,0|2,0,0]=4 6803 B10R1.21 CSCSCC1CCCO1 62a_100000203698_100011218213 [0,1,0,1,0,0|1,0,1]=4 6804 B10R1.21 CSCSCC1CCCO1 62a_100011218213_100000203698 [0,1,0,1,0,0|1,0,1]=4 6805 B10R1.21 CSCSCC1OCCO1 62a_100000755774_100011218213 [0,1,0,1,0,0|0,0,2]=4 6806 B10R1.21 CSCSCC1OCCO1 62a_100011218213_100000755774 [0,1,0,1,0,0|0,0,2]=4 6807 B10R1.21 FCSCCC1OCCO1 62a_100015361967_100000740749 [0,1,0,1,0,0|0,0,2]=4 6808 B10R1.21 [13CH3]SCCCC1OCCO1 62a_200025704644_100000042513 [0,1,0,1,0,0|0,0,2]=4 6809 B10R1.29 C#CCNC1CCOC1=O 34a_100000212058_100000211211 [0,1,0,1,0,0|1,0,1]=4 6810 B10R1.29 C#CCOC1CCOC1=O 34a_100000210247_100000211211 [0,1,0,1,0,0|1,0,1]=4 6811 B10R1.29 C#CCSC1CCOC1=O 62a_100000038162_100000211211 [0,1,0,1,0,0|1,0,1]=4 6812 B10R1.29 C=CCNC1CCOC1=O 2230a_100020586998_100000211211 [0,1,0,1,0,0|1,0,1]=4 6813 B10R1.29 C=CCOC1CCOC1=O 34a_200000210373_100000211211 [0,1,0,1,0,0|1,0,1]=4 6814 B10R1.29 C=CCSC1CCOC1=O 62a_100000210623_100000211211 [0,1,0,1,0,0|1,0,1]=4 6815 B10R1.29 C=CCSC1CCOC1=O 62a_100000211211_100000210623 [0,1,0,1,0,0|1,0,1]=4 6816 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [0,1,0,1,0,0|2,0,0]=4 6817 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [0,1,0,1,0,0|2,0,0]=4 6818 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,1,0,1,0,0|2,0,0]=4 6819 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,1,0,1,0,0|2,0,0]=4 6820 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,1,0,1,0,0|1,0,0]=3 6821 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [0,1,0,1,0,0|2,0,0]=4 6822 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,1,0,1,0,0|2,0,0]=4 6823 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,1,0,1,0,0|2,0,0]=4 6824 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,1,0,1,0,0|1,0,0]=3 6825 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,1,0,1,0,0|1,0,0]=3 6826 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [0,1,0,1,0,0|1,1,0]=4 6827 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [0,1,0,1,0,0|2,0,0]=4 6828 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [0,1,0,1,0,0|2,0,0]=4 6829 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [0,1,0,1,0,0|2,0,0]=4 6830 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [0,1,0,1,0,0|2,0,0]=4 6831 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [0,1,0,1,0,0|2,0,0]=4 6832 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [0,1,0,1,0,0|2,0,0]=4 6833 B10R1.29 CNCCN1CCNC1=O 2230a_100011207550_200000210301 [0,1,0,1,0,0|2,0,0]=4 6834 B10R1.29 CNCCN1CCNC1=O 2230a_106832991635_100000090651 [0,1,0,1,0,0|2,0,0]=4 6835 B10R1.29 CNCCN1CCNC1=O 7a_106832991635_100000090651 [0,1,0,1,0,0|2,0,0]=4 6836 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [0,1,0,1,0,0|1,1,0]=4 6837 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [0,1,0,1,0,0|1,1,0]=4 6838 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [0,1,0,1,0,0|1,1,0]=4 6839 B10R1.29 COCCN1CCNC1=O 34a_100000216532_200000210301 [0,1,0,1,0,0|1,1,0]=4 6840 B10R1.29 COCNC1CCNC1=O 2230a_100016995588_100000766300 [0,1,0,1,0,0|1,1,0]=4 6841 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [0,1,0,1,0,0|1,1,0]=4 6842 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [0,1,0,1,0,0|1,1,0]=4 6843 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [0,1,0,1,0,0|0,1,0]=3 6844 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [0,1,0,1,0,0|0,1,0]=3 6845 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [0,1,0,1,0,0|1,0,0]=3 6846 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [0,1,0,1,0,0|1,0,0]=3 6847 B10R1.29 CSCCN1CCNC1=O 62a_100000090651_200000210301 [0,1,0,1,0,0|1,0,0]=3 6848 B10R1.29 CSCCN1CCNC1=O 62a_200000210301_100000090651 [0,1,0,1,0,0|1,0,0]=3 6849 B10R1.29 CSCNC1CCNC1=O 2230a_100016995588_100011218213 [0,1,0,1,0,0|1,0,0]=3 6850 B10R1.29 CSCNC1CCNC1=O 34a_100016995588_100011218213 [0,1,0,1,0,0|1,0,0]=3 6851 B10R1.29 CSCN[C@@H]1CONC1=O 2230a_100000765999_100011218213 [0,1,0,1,0,0|2,0,0]=4 6852 B10R1.29 CSCN[C@@H]1CONC1=O 34a_100000765999_100011218213 [0,1,0,1,0,0|2,0,0]=4 6853 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [0,1,0,1,0,0|1,0,0]=3 6854 B10R1.29 CSCO[C@H]1CCNC1=O 34a_100000688343_100011218213 [0,1,0,1,0,0|1,0,0]=3 6855 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [0,1,0,1,0,0|1,0,0]=3 6856 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [0,1,0,1,0,0|1,0,0]=3 6857 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [0,1,0,1,0,0|0,0,0]=2 6858 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [0,1,0,1,0,0|0,0,0]=2 6859 B10R1.29 N#CCSC1CCOC1=O 62a_100000211211_100011215382 [0,1,0,1,0,0|2,0,0]=4 6860 B10R1.29 N#CCSC1CCOC1=O 62a_100011215382_100000211211 [0,1,0,1,0,0|2,0,0]=4 6861 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [0,1,0,1,0,0|2,0,0]=4 6862 B10R1.29 O=C1CCCN1CSCF 62a_100000026320_100015361967 [0,1,0,1,0,0|2,0,0]=4 6863 B10R1.29 O=C1CCCN1CSCF 62a_100015361967_100000026320 [0,1,0,1,0,0|2,0,0]=4 6864 B10R1.29 O=C1NCCC1COCF 34a_100000133458_100015361967 [0,1,0,1,0,0|1,1,0]=4 6865 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [0,1,0,1,0,0|2,0,0]=4 6866 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [0,1,0,1,0,0|2,0,0]=4 6867 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [0,1,0,1,0,0|2,0,0]=4 6868 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [0,1,0,1,0,0|2,0,0]=4 6869 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [0,1,0,1,0,0|2,0,0]=4 6870 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [0,1,0,1,0,0|2,0,0]=4 6871 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [0,1,0,1,0,0|2,0,0]=4 6872 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [0,1,0,1,0,0|2,0,0]=4 6873 B10R1.29 O=CCSC1CCOC1=O 62a_100000211211_200015260668 [0,1,0,1,0,0|2,0,0]=4 6874 B10R1.29 O=CCSC1CCOC1=O 62a_200015260668_100000211211 [0,1,0,1,0,0|2,0,0]=4 6875 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [0,1,0,1,0,0|2,0,0]=4 6876 B10R1.29 [13CH3]NCCN1CCNC1=O 2230a_100011207550_200025704644 [0,1,0,1,0,0|2,0,0]=4 6877 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [0,1,0,1,0,0|1,1,0]=4 6878 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [0,1,0,1,0,0|1,1,0]=4 6879 B10R1.29 [13CH3]OCCN1CCNC1=O 34a_100000216532_200025704644 [0,1,0,1,0,0|1,1,0]=4 6880 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [0,1,0,1,0,0|1,0,0]=3 6881 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [0,1,0,1,0,0|1,0,0]=3 6882 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_100000090651_200025704644 [0,1,0,1,0,0|1,0,0]=3 6883 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_200025704644_100000090651 [0,1,0,1,0,0|1,0,0]=3 6884 B10R1.92 CCOC1CN(C1)CSC 269982a_100000732654_100011218213 [0,1,0,1,0,0|1,0,1]=4 6885 B10R1.92 CCOC1CN(C1)CSC 34a_100000732654_100011218213 [0,1,0,1,0,0|1,0,1]=4 6886 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,1,0,1,0,0|2,0,0]=4 6887 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,1,0,1,0,0|2,0,0]=4 6888 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,1,0,1,0,0|2,0,0]=4 6889 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,1,0,1,0,0|2,0,0]=4 6890 B10R1.137 CC=CC(=O)NC1CSC1 11a_100016994217_100000210699 [0,1,0,1,0,0|1,0,1]=4 6891 B10R1.137 CC=CC(=O)NC1CSC1 1626a_100016994217_100000210699 [0,1,0,1,0,0|1,0,1]=4 6892 B10R1.137 CC=CC(=O)NC1CSC1 240690a_100016994217_100000210699 [0,1,0,1,0,0|1,0,1]=4 6893 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,1,0,1,0,0|2,0,0]=4 6894 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,1,0,1,0,0|2,0,0]=4 6895 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [0,1,0,1,0,0|1,1,0]=4 6896 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [0,1,0,1,0,0|1,1,0]=4 6897 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [0,1,0,1,0,0|1,1,0]=4 6898 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [0,1,0,1,0,0|2,0,0]=4 6899 B10R1.137 CCCC(=O)NC1CCC1 11a_100000749019_100000211992 [0,1,0,1,0,0|2,0,0]=4 6900 B10R1.137 CCCC(=O)NC1CCC1 1626a_100000749019_100000211992 [0,1,0,1,0,0|2,0,0]=4 6901 B10R1.137 CCCC(=O)NC1CCC1 240690a_100000749019_100000211992 [0,1,0,1,0,0|2,0,0]=4 6902 B10R1.137 CCCC(=O)NC1CCC1 527a_100000749019_100000211992 [0,1,0,1,0,0|2,0,0]=4 6903 B10R1.137 CCCC(=O)NC1COC1 11a_100016991112_100000211992 [0,1,0,1,0,0|1,1,0]=4 6904 B10R1.137 CCCC(=O)NC1COC1 1626a_100016991112_100000211992 [0,1,0,1,0,0|1,1,0]=4 6905 B10R1.137 CCCC(=O)NC1COC1 240690a_100016991112_100000211992 [0,1,0,1,0,0|1,1,0]=4 6906 B10R1.137 CCCC(=O)NC1COC1 527a_100016991112_100000211992 [0,1,0,1,0,0|1,1,0]=4 6907 B10R1.137 CCCC(=O)NC1CSC1 11a_100016994217_100000211992 [0,1,0,1,0,0|1,0,0]=3 6908 B10R1.137 CCCC(=O)NC1CSC1 1626a_100016994217_100000211992 [0,1,0,1,0,0|1,0,0]=3 6909 B10R1.137 CCCC(=O)NC1CSC1 240690a_100016994217_100000211992 [0,1,0,1,0,0|1,0,0]=3 6910 B10R1.137 CCCC(=O)NC1CSC1 527a_100016994217_100000211992 [0,1,0,1,0,0|1,0,0]=3 6911 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,1,0,1,0,0|2,0,0]=4 6912 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,1,0,1,0,0|2,0,0]=4 6913 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,1,0,1,0,0|2,0,0]=4 6914 B10R1.137 CCNC(=O)CC1COC1 11a_100015525214_100000687760 [0,1,0,1,0,0|1,1,0]=4 6915 B10R1.137 CCNC(=O)CN1CCC1 269982a_100000754969_100000183381 [0,1,0,1,0,0|2,0,0]=4 6916 B10R1.137 CCNC(=O)NC1CCC1 2708a_100015525214_100000749019 [0,1,0,1,0,0|2,0,0]=4 6917 B10R1.137 CCNC(=O)NC1CCC1 273464a_100000749019_100015525214 [0,1,0,1,0,0|2,0,0]=4 6918 B10R1.137 CCNC(=O)NC1CCC1 273464a_100015525214_100000749019 [0,1,0,1,0,0|2,0,0]=4 6919 B10R1.137 CCNC(=O)NC1CCC1 512a_100000749019_100015525214 [0,1,0,1,0,0|2,0,0]=4 6920 B10R1.137 CCNC(=O)NC1CCC1 512a_100015525214_100000749019 [0,1,0,1,0,0|2,0,0]=4 6921 B10R1.137 CCNC(=O)NC1COC1 2708a_100015525214_100016991112 [0,1,0,1,0,0|1,1,0]=4 6922 B10R1.137 CCNC(=O)NC1COC1 2708a_100016991112_100015525214 [0,1,0,1,0,0|1,1,0]=4 6923 B10R1.137 CCNC(=O)NC1COC1 273464a_100015525214_100016991112 [0,1,0,1,0,0|1,1,0]=4 6924 B10R1.137 CCNC(=O)NC1COC1 273464a_100016991112_100015525214 [0,1,0,1,0,0|1,1,0]=4 6925 B10R1.137 CCNC(=O)NC1COC1 512a_100015525214_100016991112 [0,1,0,1,0,0|1,1,0]=4 6926 B10R1.137 CCNC(=O)NC1COC1 512a_100016991112_100015525214 [0,1,0,1,0,0|1,1,0]=4 6927 B10R1.137 CCNC(=O)NC1CSC1 2708a_100015525214_100016994217 [0,1,0,1,0,0|1,0,0]=3 6928 B10R1.137 CCNC(=O)NC1CSC1 2708a_100016994217_100015525214 [0,1,0,1,0,0|1,0,0]=3 6929 B10R1.137 CCNC(=O)NC1CSC1 273464a_100015525214_100016994217 [0,1,0,1,0,0|1,0,0]=3 6930 B10R1.137 CCNC(=O)NC1CSC1 273464a_100016994217_100015525214 [0,1,0,1,0,0|1,0,0]=3 6931 B10R1.137 CCNC(=O)NC1CSC1 512a_100015525214_100016994217 [0,1,0,1,0,0|1,0,0]=3 6932 B10R1.137 CCNC(=O)NC1CSC1 512a_100016994217_100015525214 [0,1,0,1,0,0|1,0,0]=3 6933 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [0,1,0,1,0,0|1,0,0]=3 6934 B10R1.137 CNNC(=O)NC1CSC1 273464a_100016994217_100016993582 [0,1,0,1,0,0|2,0,0]=4 6935 B10R1.137 CNNC(=O)NC1CSC1 512a_100016993582_100016994217 [0,1,0,1,0,0|2,0,0]=4 6936 B10R1.137 CNNC(=O)NC1CSC1 512a_100016994217_100016993582 [0,1,0,1,0,0|2,0,0]=4 6937 B10R1.137 COCC(=O)NC1CSC1 11a_100016994217_100000210968 [0,1,0,1,0,0|2,0,0]=4 6938 B10R1.137 COCC(=O)NC1CSC1 1626a_100016994217_100000210968 [0,1,0,1,0,0|2,0,0]=4 6939 B10R1.137 COCC(=O)NC1CSC1 240690a_100016994217_100000210968 [0,1,0,1,0,0|2,0,0]=4 6940 B10R1.137 COCC(=O)NC1CSC1 527a_100016994217_100000210968 [0,1,0,1,0,0|2,0,0]=4 6941 B10R1.137 CSCC(=O)NC1CSC1 11a_100016994217_100000184570 [0,1,0,1,0,0|2,0,0]=4 6942 B10R1.137 CSCC(=O)NC1CSC1 1626a_100016994217_100000184570 [0,1,0,1,0,0|2,0,0]=4 6943 B10R1.137 CSCC(=O)NC1CSC1 240690a_100016994217_100000184570 [0,1,0,1,0,0|2,0,0]=4 6944 B10R1.137 CSCC(=O)NC1CSC1 527a_100016994217_100000184570 [0,1,0,1,0,0|2,0,0]=4 6945 B10R1.137 O=C(CCO)NC1CSC1 240690a_100016994217_100011216618 [0,1,0,1,0,0|2,0,0]=4 6946 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,1,0,1,0,0|2,0,0]=4 6947 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,1,0,1,0,0|2,0,0]=4 6948 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [0,1,0,1,0,0|1,1,0]=4 6949 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [0,1,0,1,0,0|2,0,0]=4 6950 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [0,1,0,1,0,0|2,0,0]=4 6951 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [0,1,0,1,0,0|2,0,0]=4 6952 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [0,1,0,1,0,0|2,0,0]=4 6953 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [0,1,0,1,0,0|2,0,0]=4 6954 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,1,0,1,0,0|2,0,0]=4 6955 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,1,0,1,0,0|2,0,0]=4 6956 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,1,0,1,0,0|2,0,0]=4 6957 B10R1.138 CCNC(=O)CNC1CC1 34a_100000212008_100000183381 [0,1,0,1,0,0|2,0,0]=4 6958 B10R1.138 CCNC(=O)CSC1CC1 62a_100000183381_100000211595 [0,1,0,1,0,0|2,0,0]=4 6959 B10R1.138 CCNC(=O)NCC1CC1 2708a_100000735609_100015525214 [0,1,0,1,0,0|2,0,0]=4 6960 B10R1.138 CCNC(=O)NCC1CC1 2708a_100015525214_100000735609 [0,1,0,1,0,0|2,0,0]=4 6961 B10R1.138 CCNC(=O)NCC1CC1 273464a_100000735609_100015525214 [0,1,0,1,0,0|2,0,0]=4 6962 B10R1.138 CCNC(=O)NCC1CC1 273464a_100015525214_100000735609 [0,1,0,1,0,0|2,0,0]=4 6963 B10R1.138 CCNC(=O)NCC1CC1 512a_100000735609_100015525214 [0,1,0,1,0,0|2,0,0]=4 6964 B10R1.138 CCNC(=O)NCC1CC1 512a_100015525214_100000735609 [0,1,0,1,0,0|2,0,0]=4 6965 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [0,1,0,1,0,0|1,0,0]=3 6966 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [0,1,0,1,0,0|1,0,0]=3 6967 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [0,1,0,1,0,0|2,0,0]=4 6968 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [0,1,0,1,0,0|2,0,0]=4 6969 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [0,1,0,1,0,0|2,0,0]=4 6970 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [0,1,0,1,0,0|2,0,0]=4 6971 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [0,1,0,1,0,0|2,0,0]=4 6972 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,1,0,1,0,0|2,0,0]=4 6973 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [0,1,0,1,0,0|2,0,0]=4 6974 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [0,1,0,1,0,0|2,0,0]=4 6975 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [0,1,0,1,0,0|2,0,0]=4 6976 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [0,1,0,1,0,0|2,0,0]=4 6977 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [0,1,0,1,0,0|2,0,0]=4 6978 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [0,1,0,1,0,0|2,0,0]=4 6979 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [0,1,0,1,0,0|2,0,0]=4 6980 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [0,1,0,1,0,0|2,0,0]=4 6981 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [0,1,0,1,0,0|1,1,0]=4 6982 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [0,1,0,1,0,0|1,0,0]=3 6983 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [0,1,0,1,0,0|2,0,0]=4 6984 B10R1.186 CCSCOC(=O)C1CC1 62a_100000140896_100000210202 [0,1,0,1,0,0|2,0,0]=4 6985 B10R1.186 CCSCOC(=O)C1CC1 62a_100000210202_100000140896 [0,1,0,1,0,0|2,0,0]=4 6986 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [0,1,0,1,0,0|1,1,0]=4 6987 B10R1.186 COCCNC(=O)C1CC1 1626a_100000209980_100000210395 [0,1,0,1,0,0|1,1,0]=4 6988 B10R1.186 COCCNC(=O)C1CC1 240690a_100000209980_100000210395 [0,1,0,1,0,0|1,1,0]=4 6989 B10R1.186 COCCNC(=O)C1CC1 527a_100000209980_100000210395 [0,1,0,1,0,0|1,1,0]=4 6990 B10R1.186 COCSCC(=O)C1CC1 62a_100000746382_100000766300 [0,1,0,1,0,0|1,1,0]=4 6991 B10R1.186 COCSCC(=O)C1CC1 62a_100000766300_100000746382 [0,1,0,1,0,0|1,1,0]=4 6992 B10R1.186 CSCCNC(=O)C1CC1 11a_100020590264_100000210395 [0,1,0,1,0,0|1,0,0]=3 6993 B10R1.186 CSCCNC(=O)C1CC1 1626a_100020590264_100000210395 [0,1,0,1,0,0|1,0,0]=3 6994 B10R1.186 CSCCNC(=O)C1CC1 240690a_100020590264_100000210395 [0,1,0,1,0,0|1,0,0]=3 6995 B10R1.186 CSCCNC(=O)C1CC1 527a_100020590264_100000210395 [0,1,0,1,0,0|1,0,0]=3 6996 B10R1.186 CSCCNC(=O)C1CO1 11a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 6997 B10R1.186 CSCCNC(=O)C1CO1 1626a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 6998 B10R1.186 CSCCNC(=O)C1CO1 240690a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 6999 B10R1.186 CSCCNC(=O)C1CO1 527a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 7000 B10R1.186 CSCOCC(=O)C1CC1 34a_100000686663_100011218213 [0,1,0,1,0,0|1,0,0]=3 7001 B10R1.186 CSCSCC(=O)C1CC1 62a_100000746382_100011218213 [0,1,0,1,0,0|1,0,0]=3 7002 B10R1.186 CSCSCC(=O)C1CC1 62a_100011218213_100000746382 [0,1,0,1,0,0|1,0,0]=3 7003 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [0,1,0,1,0,0|2,0,0]=4 7004 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [0,1,0,1,0,0|2,0,0]=4 7005 B10R1.186 O=C(OCSCF)C1CC1 62a_100000140896_100015361967 [0,1,0,1,0,0|2,0,0]=4 7006 B10R1.186 O=C(OCSCF)C1CC1 62a_100015361967_100000140896 [0,1,0,1,0,0|2,0,0]=4 7007 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [0,1,0,1,0,0|2,0,0]=4 7008 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [0,1,0,1,0,0|2,0,0]=4 7009 B10R1.197 O=C1CCN(CCN1)CF 269982a_100000698595_100015361967 [0,1,0,1,0,0|2,0,0]=4 7010 B10R1.245 CCC1C(=O)NCCN1C 2230a_100000187962_200000210301 [0,1,0,1,0,0|2,0,0]=4 7011 B10R1.245 CCC1C(=O)NCCN1C 269982a_100000187962_200000210301 [0,1,0,1,0,0|2,0,0]=4 7012 B10R1.245 CCC1C(=O)NCCN1C 34a_100000187962_200000210301 [0,1,0,1,0,0|2,0,0]=4 7013 B10R1.245 CCC1C(=O)NCCN1[13CH3] 2230a_100000187962_200025704644 [0,1,0,1,0,0|2,0,0]=4 7014 B10R1.245 CCC1C(=O)NCCN1[13CH3] 269982a_100000187962_200025704644 [0,1,0,1,0,0|2,0,0]=4 7015 B10R1.245 CCC1C(=O)NCCN1[13CH3] 34a_100000187962_200025704644 [0,1,0,1,0,0|2,0,0]=4 7016 B10R1.377 CCOC1(CCSCC1)C 34a_200011004327_100000210202 [0,1,0,1,0,0|1,0,1]=4 7017 B10R1.377 CCOC1(CCSCC1)C 7a_200011004327_100000210202 [0,1,0,1,0,0|1,0,1]=4 7018 B10R1.35 CCN1CC(CC1=O)NC 2230a_100015184948_200000210301 [0,1,0,1,0,0|2,0,0]=4 7019 B10R1.35 CCN1CC(CC1=O)NC 34a_100015184948_200000210301 [0,1,0,1,0,0|2,0,0]=4 7020 B10R1.35 CCN1CC(CC1=O)N[13CH3] 2230a_100015184948_200025704644 [0,1,0,1,0,0|2,0,0]=4 7021 B10R1.35 CCN1CC(CC1=O)N[13CH3] 34a_100015184948_200025704644 [0,1,0,1,0,0|2,0,0]=4 7022 B10R1.94 CCOC1CCN(C1=O)C 34a_100121572206_100000755940 [0,1,0,1,0,0|1,0,1]=4 7023 B10R1.94 CN1CCC(C1=O)CO[13CH3] 34a_100009823153_200025704644 [0,1,0,1,0,0|1,1,0]=4 7024 B10R1.94 COCC1CCN(C1=O)C 34a_100009823153_200000210301 [0,1,0,1,0,0|1,1,0]=4 7025 B10R1.176 CN1CCC(CC1=O)N[13CH3] 2230a_100000126938_200025704644 [0,1,0,1,0,0|2,0,0]=4 7026 B10R1.176 CN1CCC(CC1=O)N[13CH3] 34a_100000126938_200025704644 [0,1,0,1,0,0|2,0,0]=4 7027 B10R1.176 CNC1CCN(C(=O)C1)C 2230a_100000126938_200000210301 [0,1,0,1,0,0|2,0,0]=4 7028 B10R1.176 CNC1CCN(C(=O)C1)C 34a_100000126938_200000210301 [0,1,0,1,0,0|2,0,0]=4 7029 B10R1.178 C#CCCC(=O)C1CCO1 1458a_100000089072_100000753159 [0,1,0,1,0,0|1,0,1]=4 7030 B10R1.178 C/C=C/CC(=O)C1CCO1 1458a_100000089072_100102629194 [0,1,0,1,0,0|1,0,1]=4 7031 B10R1.178 C=CCCC(=O)C1CCO1 1458a_100000089072_100000754431 [0,1,0,1,0,0|1,0,1]=4 7032 B10R1.178 CC#CCC(=O)C1CCO1 1458a_100000089072_100000748600 [0,1,0,1,0,0|1,0,1]=4 7033 B10R1.178 CC=CCC(=O)C1CCO1 1458a_100000089072_100000070051 [0,1,0,1,0,0|1,0,1]=4 7034 B10R1.178 CCC#CC(=O)C1CCC1 1458a_100011827653_100000749161 [0,1,0,1,0,0|2,0,0]=4 7035 B10R1.178 CCC#CC(=O)C1COC1 1458a_100011827653_100000687716 [0,1,0,1,0,0|1,1,0]=4 7036 B10R1.178 CCC=CC(=O)C1CCC1 1458a_100000212282_100000749161 [0,1,0,1,0,0|2,0,0]=4 7037 B10R1.178 CCC=CC(=O)C1COC1 1458a_100000212282_100000687716 [0,1,0,1,0,0|1,1,0]=4 7038 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000209988_100000210211 [0,1,0,1,0,0|2,0,0]=4 7039 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000210183_100000749161 [0,1,0,1,0,0|2,0,0]=4 7040 B10R1.178 CCCCC(=O)C1CCO1 1458a_100000089072_100000210211 [0,1,0,1,0,0|1,0,0]=3 7041 B10R1.178 CCCCC(=O)C1COC1 1458a_100000210183_100000687716 [0,1,0,1,0,0|1,1,0]=4 7042 B10R1.178 CCCCC(=O)C1COC1 1458a_100000758290_100000210211 [0,1,0,1,0,0|1,1,0]=4 7043 B10R1.178 CCCCC(=O)N1CCC1 11a_100000754969_100000210183 [0,1,0,1,0,0|2,0,0]=4 7044 B10R1.178 CCCCC(=O)N1CCC1 240690a_100000754969_100000210183 [0,1,0,1,0,0|2,0,0]=4 7045 B10R1.178 CCCCC(=O)N1CCC1 527a_100000754969_100000210183 [0,1,0,1,0,0|2,0,0]=4 7046 B10R1.178 CCCNC(=O)C1CCC1 11a_100020643023_100000209988 [0,1,0,1,0,0|2,0,0]=4 7047 B10R1.178 CCCNC(=O)C1CCC1 1626a_100020643023_100000209988 [0,1,0,1,0,0|2,0,0]=4 7048 B10R1.178 CCCNC(=O)C1CCC1 240690a_100020643023_100000209988 [0,1,0,1,0,0|2,0,0]=4 7049 B10R1.178 CCCNC(=O)C1CCC1 527a_100020643023_100000209988 [0,1,0,1,0,0|2,0,0]=4 7050 B10R1.178 CCCNC(=O)C1CCO1 11a_100020643023_100000089072 [0,1,0,1,0,0|2,0,0]=4 7051 B10R1.178 CCCNC(=O)C1CCO1 1626a_100020643023_100000089072 [0,1,0,1,0,0|2,0,0]=4 7052 B10R1.178 CCCNC(=O)C1CCO1 240690a_100020643023_100000089072 [0,1,0,1,0,0|2,0,0]=4 7053 B10R1.178 CCCNC(=O)C1CCO1 527a_100020643023_100000089072 [0,1,0,1,0,0|2,0,0]=4 7054 B10R1.178 CCCNC(=O)C1COC1 11a_100020643023_100000758290 [0,1,0,1,0,0|1,1,0]=4 7055 B10R1.178 CCCNC(=O)C1COC1 1626a_100020643023_100000758290 [0,1,0,1,0,0|1,1,0]=4 7056 B10R1.178 CCCNC(=O)C1COC1 240690a_100020643023_100000758290 [0,1,0,1,0,0|1,1,0]=4 7057 B10R1.178 CCCNC(=O)C1COC1 527a_100020643023_100000758290 [0,1,0,1,0,0|1,1,0]=4 7058 B10R1.178 CCNCC(=O)C1CCC1 2230a_100015525214_100000686122 [0,1,0,1,0,0|2,0,0]=4 7059 B10R1.178 CCNNC(=O)C1CCC1 22a_100000756455_100000209988 [0,1,0,1,0,0|2,0,0]=4 7060 B10R1.178 CCNNC(=O)C1COC1 22a_100000756455_100000758290 [0,1,0,1,0,0|1,1,0]=4 7061 B10R1.178 CCOCC(=O)C1CCC1 1458a_100000211967_100000749161 [0,1,0,1,0,0|1,0,0]=3 7062 B10R1.178 CCOCC(=O)C1CCC1 34a_100121572206_100000686122 [0,1,0,1,0,0|1,0,0]=3 7063 B10R1.178 CCOCC(=O)C1COC1 1458a_100000211967_100000687716 [0,1,0,1,0,0|0,1,0]=3 7064 B10R1.178 CCOCC(=O)N1CCC1 11a_100000754969_100000211967 [0,1,0,1,0,0|2,0,0]=4 7065 B10R1.178 CCOCC(=O)N1CCC1 240690a_100000754969_100000211967 [0,1,0,1,0,0|2,0,0]=4 7066 B10R1.178 CCOCC(=O)N1CCC1 34a_100121572206_100000185095 [0,1,0,1,0,0|2,0,0]=4 7067 B10R1.178 CCOCC(=O)N1CCC1 527a_100000754969_100000211967 [0,1,0,1,0,0|2,0,0]=4 7068 B10R1.178 CCSCC(=O)C1CCC1 1458a_100000230394_100000749161 [0,1,0,1,0,0|1,1,0]=4 7069 B10R1.178 CCSCC(=O)C1CCC1 62a_100000210202_100000686122 [0,1,0,1,0,0|1,1,0]=4 7070 B10R1.178 CCSCC(=O)C1CCC1 62a_100000686122_100000210202 [0,1,0,1,0,0|1,1,0]=4 7071 B10R1.178 CCSCC(=O)C1COC1 1458a_100000230394_100000687716 [0,1,0,1,0,0|0,2,0]=4 7072 B10R1.178 COCCC(=O)C1CCC1 1458a_100000209988_100000233755 [0,1,0,1,0,0|1,1,0]=4 7073 B10R1.178 COCCC(=O)C1CCC1 1458a_100000749529_100000749161 [0,1,0,1,0,0|1,1,0]=4 7074 B10R1.178 COCCC(=O)C1CCO1 1458a_100000089072_100000233755 [0,1,0,1,0,0|0,1,0]=3 7075 B10R1.178 COCCC(=O)C1COC1 1458a_100000749529_100000687716 [0,1,0,1,0,0|1,1,0]=4 7076 B10R1.178 COCCC(=O)C1COC1 1458a_100000758290_100000233755 [0,1,0,1,0,0|1,1,0]=4 7077 B10R1.178 COCCC(=O)N1CCC1 11a_100000754969_100000749529 [0,1,0,1,0,0|1,1,0]=4 7078 B10R1.178 COCCC(=O)N1CCC1 240690a_100000754969_100000749529 [0,1,0,1,0,0|1,1,0]=4 7079 B10R1.178 COCCC(=O)N1CCC1 527a_100000754969_100000749529 [0,1,0,1,0,0|1,1,0]=4 7080 B10R1.178 CSCCC(=O)C1CCC1 1458a_100000174002_100000749161 [0,1,0,1,0,0|1,0,0]=3 7081 B10R1.178 CSCCC(=O)C1CCC1 1458a_100000209988_100000751147 [0,1,0,1,0,0|1,0,0]=3 7082 B10R1.178 CSCCC(=O)C1CCO1 1458a_100000089072_100000751147 [0,1,0,1,0,0|0,0,0]=2 7083 B10R1.178 CSCCC(=O)C1COC1 1458a_100000174002_100000687716 [0,1,0,1,0,0|1,0,0]=3 7084 B10R1.178 CSCCC(=O)C1COC1 1458a_100000758290_100000751147 [0,1,0,1,0,0|1,0,0]=3 7085 B10R1.178 CSCCC(=O)N1CCC1 11a_100000754969_100000174002 [0,1,0,1,0,0|1,0,0]=3 7086 B10R1.178 CSCCC(=O)N1CCC1 240690a_100000754969_100000174002 [0,1,0,1,0,0|1,0,0]=3 7087 B10R1.178 CSCCC(=O)N1CCC1 527a_100000754969_100000174002 [0,1,0,1,0,0|1,0,0]=3 7088 B10R1.178 N#CCCC(=O)C1CCO1 1458a_100000089072_100011215226 [0,1,0,1,0,0|2,0,0]=4 7089 B10R1.178 O=C(CCCF)C1CCC1 1458a_100000209988_100011934791 [0,1,0,1,0,0|2,0,0]=4 7090 B10R1.178 O=C(CCCF)C1CCO1 1458a_100000089072_100011934791 [0,1,0,1,0,0|2,0,0]=4 7091 B10R1.178 O=C(CCCF)C1COC1 1458a_100000758290_100011934791 [0,1,0,1,0,0|1,1,0]=4 7092 B10R1.178 O=C(CCCO)C1CCC1 1458a_100000209988_100011215043 [0,1,0,1,0,0|2,0,0]=4 7093 B10R1.178 O=C(CCCO)C1CCO1 1458a_100000089072_100011215043 [0,1,0,1,0,0|2,0,0]=4 7094 B10R1.178 O=C(CCCO)C1COC1 1458a_100000758290_100011215043 [0,1,0,1,0,0|1,1,0]=4 7095 B10R1.178 O=C(NCCF)C1CCC1 11a_100000724931_100000209988 [0,1,0,1,0,0|2,0,0]=4 7096 B10R1.178 O=C(NCCF)C1CCC1 1626a_100000724931_100000209988 [0,1,0,1,0,0|2,0,0]=4 7097 B10R1.178 O=C(NCCF)C1CCC1 240690a_100000724931_100000209988 [0,1,0,1,0,0|2,0,0]=4 7098 B10R1.178 O=C(NCCF)C1CCC1 527a_100000724931_100000209988 [0,1,0,1,0,0|2,0,0]=4 7099 B10R1.178 O=C(NCCF)C1COC1 11a_100000724931_100000758290 [0,1,0,1,0,0|1,1,0]=4 7100 B10R1.178 O=C(NCCF)C1COC1 1626a_100000724931_100000758290 [0,1,0,1,0,0|1,1,0]=4 7101 B10R1.178 O=C(NCCF)C1COC1 240690a_100000724931_100000758290 [0,1,0,1,0,0|1,1,0]=4 7102 B10R1.178 O=C(NCCF)C1COC1 527a_100000724931_100000758290 [0,1,0,1,0,0|1,1,0]=4 7103 B10R1.178 O=C(NCCO)C1CCC1 240690a_100000210304_100000209988 [0,1,0,1,0,0|2,0,0]=4 7104 B10R1.178 O=C(NCCO)C1CCC1 527a_100000210304_100000209988 [0,1,0,1,0,0|2,0,0]=4 7105 B10R1.178 O=C(NCCO)C1COC1 240690a_100000210304_100000758290 [0,1,0,1,0,0|1,1,0]=4 7106 B10R1.178 O=C(NCCO)C1COC1 527a_100000210304_100000758290 [0,1,0,1,0,0|1,1,0]=4 7107 B10R1.179 CCCCC(=O)C1(CC1)C 1458a_100000756474_100000210211 [0,1,0,1,0,0|2,0,0]=4 7108 B10R1.179 CCCCC(=O)C1(CC1)F 1458a_100000055089_100000210211 [0,1,0,1,0,0|2,0,0]=4 7109 B10R1.179 CCCCC(=O)C1(CC1)O 1458a_100000241761_100000210211 [0,1,0,1,0,0|2,0,0]=4 7110 B10R1.179 COCCC(=O)C1(CC1)C 1458a_100000756474_100000233755 [0,1,0,1,0,0|1,1,0]=4 7111 B10R1.179 COCCC(=O)C1(CC1)F 1458a_100000055089_100000233755 [0,1,0,1,0,0|1,1,0]=4 7112 B10R1.179 COCCC(=O)C1(CC1)O 1458a_100000241761_100000233755 [0,1,0,1,0,0|1,1,0]=4 7113 B10R1.179 CSCCC(=O)C1(CC1)C 1458a_100000756474_100000751147 [0,1,0,1,0,0|1,0,0]=3 7114 B10R1.179 CSCCC(=O)C1(CC1)F 1458a_100000055089_100000751147 [0,1,0,1,0,0|1,0,0]=3 7115 B10R1.179 CSCCC(=O)C1(CC1)O 1458a_100000241761_100000751147 [0,1,0,1,0,0|1,0,0]=3 7116 B10R1.182 CCC(C)C(=O)C1CCC1 1458a_100000209988_100000758301 [0,1,0,1,0,0|2,0,0]=4 7117 B10R1.182 CCC(C)C(=O)C1CCC1 1458a_100011192722_100000749161 [0,1,0,1,0,0|2,0,0]=4 7118 B10R1.182 CCC(C)C(=O)C1COC1 1458a_100000758290_100000758301 [0,1,0,1,0,0|1,1,0]=4 7119 B10R1.182 CCC(C)C(=O)C1COC1 1458a_100011192722_100000687716 [0,1,0,1,0,0|1,1,0]=4 7120 B10R1.182 CCC(O)C(=O)C1CCC1 1458a_100011196387_100000749161 [0,1,0,1,0,0|2,0,0]=4 7121 B10R1.182 CCC(O)C(=O)C1COC1 1458a_100011196387_100000687716 [0,1,0,1,0,0|1,1,0]=4 7122 B10R1.182 CCN(C)C(=O)C1CCC1 11a_100000225621_100000209988 [0,1,0,1,0,0|2,0,0]=4 7123 B10R1.182 CCN(C)C(=O)C1CCC1 1626a_100000225621_100000209988 [0,1,0,1,0,0|2,0,0]=4 7124 B10R1.182 CCN(C)C(=O)C1CCC1 240690a_100000225621_100000209988 [0,1,0,1,0,0|2,0,0]=4 7125 B10R1.182 CCN(C)C(=O)C1CCC1 527a_100000225621_100000209988 [0,1,0,1,0,0|2,0,0]=4 7126 B10R1.182 CCN(C)C(=O)C1COC1 11a_100000225621_100000758290 [0,1,0,1,0,0|1,1,0]=4 7127 B10R1.182 CCN(C)C(=O)C1COC1 1626a_100000225621_100000758290 [0,1,0,1,0,0|1,1,0]=4 7128 B10R1.182 CCN(C)C(=O)C1COC1 240690a_100000225621_100000758290 [0,1,0,1,0,0|1,1,0]=4 7129 B10R1.182 CCN(C)C(=O)C1COC1 527a_100000225621_100000758290 [0,1,0,1,0,0|1,1,0]=4 7130 B10R1.184 C/C=C(\C)/C(=O)CC1CS1 1458a_100020587367_100000031435 [0,1,0,1,0,0|1,0,1]=4 7131 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100000738066_100000758301 [0,1,0,1,0,0|2,0,0]=4 7132 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100011192722_100000742324 [0,1,0,1,0,0|2,0,0]=4 7133 B10R1.184 CCC(C)C(=O)CC1CO1 1458a_100011192722_100011216344 [0,1,0,1,0,0|1,1,0]=4 7134 B10R1.184 CCC(C)C(=O)CC1CS1 1458a_100011192722_100000031435 [0,1,0,1,0,0|1,0,0]=3 7135 B10R1.184 CCC(C)C(=O)C[C@@H]1CO1 1458a_100011192722_100000745022 [0,1,0,1,0,0|1,1,0]=4 7136 B10R1.184 CCC(O)C(=O)CC1CC1 1458a_100011196387_100000742324 [0,1,0,1,0,0|2,0,0]=4 7137 B10R1.184 CCC(O)C(=O)CC1CO1 1458a_100011196387_100011216344 [0,1,0,1,0,0|1,1,0]=4 7138 B10R1.184 CCC(O)C(=O)CC1CS1 1458a_100011196387_100000031435 [0,1,0,1,0,0|1,0,0]=3 7139 B10R1.184 CCC(O)C(=O)C[C@@H]1CO1 1458a_100011196387_100000745022 [0,1,0,1,0,0|1,1,0]=4 7140 B10R1.184 CCN(C)C(=O)CC1CC1 11a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 7141 B10R1.184 CCN(C)C(=O)CC1CC1 1626a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 7142 B10R1.184 CCN(C)C(=O)CC1CC1 240690a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 7143 B10R1.184 CCN(C)C(=O)CC1CC1 527a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 7144 B10R1.184 CNC(=O)C(=O)CC1CS1 1458a_100011218921_100000031435 [0,1,0,1,0,0|2,0,0]=4 7145 B10R1.184 COC(C)C(=O)CC1CS1 1458a_100000743197_100000031435 [0,1,0,1,0,0|2,0,0]=4 7146 B10R1.184 CSC(C)C(=O)CC1CS1 1458a_100000149566_100000031435 [0,1,0,1,0,0|2,0,0]=4 7147 B10R1.184 O=C(CC1CS1)C(O)CO 1458a_100011215603_100000031435 [0,1,0,1,0,0|2,0,0]=4 7148 B10R1.332 CN1CCC(=O)N(CC1)C 2230a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 7149 B10R1.332 CN1CCC(=O)N(CC1)C 269982a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 7150 B10R1.332 CN1CCC(=O)N(CC1)C 34a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 7151 B10R1.332 CN1CCN(CCC1=O)[13CH3] 2230a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 7152 B10R1.332 CN1CCN(CCC1=O)[13CH3] 269982a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 7153 B10R1.332 CN1CCN(CCC1=O)[13CH3] 34a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 7154 B10R1.332 C[C@H]1CNC(=O)CCN1C 2230a_102125656889_200000210301 [0,1,0,1,0,0|2,0,0]=4 7155 B10R1.332 C[C@H]1CNC(=O)CCN1C 269982a_102125656889_200000210301 [0,1,0,1,0,0|2,0,0]=4 7156 B10R1.332 C[C@H]1CNC(=O)CCN1C 34a_102125656889_200000210301 [0,1,0,1,0,0|2,0,0]=4 7157 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 2230a_102125656889_200025704644 [0,1,0,1,0,0|2,0,0]=4 7158 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 269982a_102125656889_200025704644 [0,1,0,1,0,0|2,0,0]=4 7159 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 34a_102125656889_200025704644 [0,1,0,1,0,0|2,0,0]=4 7160 B10R1.461 CCC(C)C(=O)C1CC1C 1458a_100000211227_100000758301 [0,1,0,1,0,0|2,0,0]=4 7161 B10R1.461 CCN(C)C(=O)C1CC1C 11a_100000225621_100000211227 [0,1,0,1,0,0|2,0,0]=4 7162 B10R1.461 CCN(C)C(=O)C1CC1C 1626a_100000225621_100000211227 [0,1,0,1,0,0|2,0,0]=4 7163 B10R1.461 CCN(C)C(=O)C1CC1C 527a_100000225621_100000211227 [0,1,0,1,0,0|2,0,0]=4 7164 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,1,0,1,0,0|1,0,0]=3 7165 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,1,0,1,0,0|1,0,0]=3 7166 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [0,1,0,1,0,0|2,0,0]=4 7167 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [0,1,0,1,0,0|2,0,0]=4 7168 B10R1.4 CCOC1COCCC1=O 34a_100121572206_100012180262 [0,1,0,1,0,0|0,1,0]=3 7169 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [0,1,0,1,0,0|1,1,0]=4 7170 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [0,1,0,1,0,0|1,1,0]=4 7171 B10R1.4 CCSC1COCCC1=O 62a_100000210202_100012180262 [0,1,0,1,0,0|0,2,0]=4 7172 B10R1.4 CCSC1COCCC1=O 62a_100012180262_100000210202 [0,1,0,1,0,0|0,2,0]=4 7173 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,1,0,1,0,0|1,1,0]=4 7174 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,1,0,1,0,0|1,1,0]=4 7175 B10R1.4 O=C1CCCCC1OCF 34a_100011214950_100015361967 [0,1,0,1,0,0|2,0,0]=4 7176 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,1,0,1,0,0|1,1,0]=4 7177 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,1,0,1,0,0|1,1,0]=4 7178 B10R1.17 BrCCOC1CCSCC1 34a_100000211926_100000069128 [0,1,0,1,0,0|1,0,1]=4 7179 B10R1.17 CCCOC1CCSCC1 34a_100000210258_100000069128 [0,1,0,1,0,0|1,0,1]=4 7180 B10R1.17 CCCOC1CCSCC1 34a_100000731022_100000210303 [0,1,0,1,0,0|1,0,1]=4 7181 B10R1.17 CCCOC1CCSCC1 7a_100000731022_100000210303 [0,1,0,1,0,0|1,0,1]=4 7182 B10R1.17 CCNN=C1CCSCC1 4a_100000756455_100000203788 [0,1,0,1,0,0|2,0,0]=4 7183 B10R1.17 CCOCC1CCSCC1 34a_100000070558_100000210202 [0,1,0,1,0,0|1,0,1]=4 7184 B10R1.17 CCOCC1CCSCC1 7a_100000070558_100000210202 [0,1,0,1,0,0|1,0,1]=4 7185 B10R1.17 CCOCN1CCSCC1 269982a_100000737611_100000739092 [0,1,0,1,0,0|2,0,0]=4 7186 B10R1.17 CSCCC1OCCCO1 62a_100000764188_200000210301 [0,1,0,1,0,0|0,0,2]=4 7187 B10R1.17 CSCCC1OCCCO1 62a_200000210301_100000764188 [0,1,0,1,0,0|0,0,2]=4 7188 B10R1.17 CSCCN1CCCOC1 2230a_100000131196_100000751147 [0,1,0,1,0,0|2,0,0]=4 7189 B10R1.17 CSCCN1CCCOC1 269982a_100000131196_100000212216 [0,1,0,1,0,0|2,0,0]=4 7190 B10R1.17 CSCCN1CCCOC1 34a_100000131196_100000212216 [0,1,0,1,0,0|2,0,0]=4 7191 B10R1.17 CSCOC1CCSCC1 34a_100000731022_100011218213 [0,1,0,1,0,0|1,0,1]=4 7192 B10R1.17 FCCOC1CCSCC1 34a_100000731022_100011217306 [0,1,0,1,0,0|1,0,1]=4 7193 B10R1.17 FCCOC1CCSCC1 7a_100000731022_100011217306 [0,1,0,1,0,0|1,0,1]=4 7194 B10R1.17 NCCOC1CCSCC1 34a_100000210304_100000069128 [0,1,0,1,0,0|1,0,1]=4 7195 B10R1.17 OCCOC1CCSCC1 34a_100000731022_100000211926 [0,1,0,1,0,0|1,0,1]=4 7196 B10R1.17 OCCOC1CCSCC1 7a_100000731022_100000211926 [0,1,0,1,0,0|1,0,1]=4 7197 B10R1.17 [13CH3]SCCC1OCCCO1 62a_100000764188_200025704644 [0,1,0,1,0,0|0,0,2]=4 7198 B10R1.17 [13CH3]SCCC1OCCCO1 62a_200025704644_100000764188 [0,1,0,1,0,0|0,0,2]=4 7199 B10R1.143 CCOCN1CC(C1)SC 269982a_100016990038_100000739092 [0,1,0,1,0,0|2,0,0]=4 7200 B10R1.216 CC1(OCCO1)CCS[13CH3] 62a_100000758764_200025704644 [0,1,0,1,0,0|0,0,2]=4 7201 B10R1.216 CC1(OCCO1)CCS[13CH3] 62a_200025704644_100000758764 [0,1,0,1,0,0|0,0,2]=4 7202 B10R1.216 CSCCC1(OCCO1)C 62a_100000758764_200000210301 [0,1,0,1,0,0|0,0,2]=4 7203 B10R1.216 CSCCC1(OCCO1)C 62a_200000210301_100000758764 [0,1,0,1,0,0|0,0,2]=4 7204 B10R1.134 CCC(C)CC(=O)C1CC1 1458a_100000210395_100000748023 [0,1,0,1,0,0|2,0,0]=4 7205 B10R1.134 CCC(O)CC(=O)C1CC1 1458a_100000210395_100011218378 [0,1,0,1,0,0|2,0,0]=4 7206 B10R1.134 CC[C@H](C)CC(=O)C1CC1 1458a_100000210395_100009816398 [0,1,0,1,0,0|2,0,0]=4 7207 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [0,1,0,1,0,0|1,0,1]=4 7208 B10R1.149 CCN(C)C1CCOC1=O 2230a_100000225621_100000211211 [0,1,0,1,0,0|2,0,0]=4 7209 B10R1.149 CCN(C)C1CCOC1=O 269982a_100000225621_100000211211 [0,1,0,1,0,0|2,0,0]=4 7210 B10R1.181 CCCC(=O)CC1(CC1)C 1458a_100000112800_100000210303 [0,1,0,1,0,0|2,0,0]=4 7211 B10R1.181 CCCC(=O)CC1(CO1)C 1458a_100000211992_100000760498 [0,1,0,1,0,0|1,1,0]=4 7212 B10R1.181 CCNC(=O)CC1(CC1)C 11a_100015525214_100000112800 [0,1,0,1,0,0|2,0,0]=4 7213 B10R1.181 CCNC(=O)CC1(CC1)C 240690a_100015525214_100000112800 [0,1,0,1,0,0|2,0,0]=4 7214 B10R1.181 CCNC(=O)CC1(CC1)C 527a_100015525214_100000112800 [0,1,0,1,0,0|2,0,0]=4 7215 B10R1.140 C=C1CC(C1)C(=O)CCC 1458a_100000065620_100000210303 [0,1,0,1,0,0|2,0,0]=4 7216 B10R1.140 C=C1CC(C1)C(=O)NCC 11a_100015525214_100000065620 [0,1,0,1,0,0|2,0,0]=4 7217 B10R1.140 C=C1CC(C1)C(=O)NCC 240690a_100015525214_100000065620 [0,1,0,1,0,0|2,0,0]=4 7218 B10R1.140 C=C1CC(C1)C(=O)NCC 527a_100015525214_100000065620 [0,1,0,1,0,0|2,0,0]=4 7219 B10R1.140 CCCC(=O)C1CC(C1)C 1458a_100000686124_100000210303 [0,1,0,1,0,0|2,0,0]=4 7220 B10R1.140 CCCC(=O)C1CC(C1)F 1458a_100000062598_100000210303 [0,1,0,1,0,0|2,0,0]=4 7221 B10R1.140 CCCC(=O)C1CN(C1)C 1458a_100012002723_100000210303 [0,1,0,1,0,0|2,0,0]=4 7222 B10R1.140 CCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210303 [0,1,0,1,0,0|2,0,0]=4 7223 B10R1.140 CCNC(=O)C1CC(C1)C 11a_100015525214_100000686124 [0,1,0,1,0,0|2,0,0]=4 7224 B10R1.140 CCNC(=O)C1CC(C1)C 240690a_100015525214_100000686124 [0,1,0,1,0,0|2,0,0]=4 7225 B10R1.140 CCNC(=O)C1CC(C1)C 527a_100015525214_100000686124 [0,1,0,1,0,0|2,0,0]=4 7226 B10R1.140 CCNC(=O)C1CC(C1)F 11a_100015525214_100000062598 [0,1,0,1,0,0|2,0,0]=4 7227 B10R1.140 CCNC(=O)C1CC(C1)F 240690a_100015525214_100000062598 [0,1,0,1,0,0|2,0,0]=4 7228 B10R1.140 CCNC(=O)C1CC(C1)F 527a_100015525214_100000062598 [0,1,0,1,0,0|2,0,0]=4 7229 B10R1.140 CCNC(=O)C1CN(C1)C 240690a_100015525214_100012002723 [0,1,0,1,0,0|2,0,0]=4 7230 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 240690a_100015525214_100015266633 [0,1,0,1,0,0|2,0,0]=4 7231 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 527a_100015525214_100015266633 [0,1,0,1,0,0|2,0,0]=4 7232 B10R1.140 CCOC(=O)C1CN(C1)C 269982a_100015188541_200000210301 [0,1,0,1,0,0|1,0,0]=3 7233 B10R1.140 CCOC(=O)C1CN(C1)[13CH3] 269982a_100015188541_200025704644 [0,1,0,1,0,0|1,0,0]=3 7234 B10R1.212 CCCC(C)C(=O)C1CC1 1458a_100000210395_100000766640 [0,1,0,1,0,0|2,0,0]=4 7235 B10R1.212 COCC(C)C(=O)C1CC1 1458a_100000210395_100000765312 [0,1,0,1,0,0|1,1,0]=4 7236 B10R1.401 CCCC(=O)C1(CCC1)C 1458a_100000684636_100000210303 [0,1,0,1,0,0|2,0,0]=4 7237 B10R1.401 CCCC(=O)C1(CCC1)O 1458a_100000242746_100000210303 [0,1,0,1,0,0|2,0,0]=4 7238 B10R1.401 CCCC(=O)C1(COC1)C 1458a_100000094709_100000210303 [0,1,0,1,0,0|1,1,0]=4 7239 B10R1.401 CCCC(=O)C1(COC1)O 1458a_100010273515_100000210303 [0,1,0,1,0,0|1,1,0]=4 7240 B10R1.401 CCNC(=O)C1(CCC1)C 11a_100015525214_100000684636 [0,1,0,1,0,0|2,0,0]=4 7241 B10R1.401 CCNC(=O)C1(CCC1)C 240690a_100015525214_100000684636 [0,1,0,1,0,0|2,0,0]=4 7242 B10R1.401 CCNC(=O)C1(CCC1)C 527a_100015525214_100000684636 [0,1,0,1,0,0|2,0,0]=4 7243 B10R1.401 CCNC(=O)C1(CCC1)O 240690a_100015525214_100000242746 [0,1,0,1,0,0|2,0,0]=4 7244 B10R1.401 CCNC(=O)C1(COC1)C 11a_100015525214_100000094709 [0,1,0,1,0,0|1,1,0]=4 7245 B10R1.401 CCNC(=O)C1(COC1)C 527a_100015525214_100000094709 [0,1,0,1,0,0|1,1,0]=4 7246 B10R1.401 CCNC(=O)C1(COC1)O 240690a_100015525214_100010273515 [0,1,0,1,0,0|1,1,0]=4 7247 B10R1.64 CC(=O)CN1CCOC1=O 1458a_100011227918_200000210301 [0,1,0,1,0,0|2,0,0]=4 7248 B10R1.64 CC(C)NC1CCOC1=O 2230a_100138425928_100000211211 [0,1,0,1,0,0|2,0,0]=4 7249 B10R1.64 CC(C)NC1CCOC1=O 34a_100138425928_100000211211 [0,1,0,1,0,0|2,0,0]=4 7250 B10R1.64 CC(C)OC1CCOC1=O 34a_100000212225_100000211211 [0,1,0,1,0,0|2,0,0]=4 7251 B10R1.64 CC(C)SC1CCOC1=O 62a_100000210206_100000211211 [0,1,0,1,0,0|2,0,0]=4 7252 B10R1.64 CC(C)SC1CCOC1=O 62a_100000211211_100000210206 [0,1,0,1,0,0|2,0,0]=4 7253 B10R1.64 [13CH3]C(=O)CN1CCOC1=O 1458a_100011227918_200025704644 [0,1,0,1,0,0|2,0,0]=4 7254 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,1,0,1,0,0|2,0,0]=4 7255 B10R1.113 CC(=O)N1CCOC(=O)C1 11a_100000131268_100015343762 [0,1,0,1,0,0|2,0,0]=4 7256 B10R1.113 CC(=O)N1CCOC(=O)C1 240690a_100000131268_100015343762 [0,1,0,1,0,0|2,0,0]=4 7257 B10R1.113 CC(=O)N1CCOC(=O)C1 527a_100000131268_100103153847 [0,1,0,1,0,0|2,0,0]=4 7258 B10R1.113 CC(C)N1CCOC(=O)C1 2230a_100000131268_100000210206 [0,1,0,1,0,0|2,0,0]=4 7259 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,1,0,1,0,0|2,0,0]=4 7260 B10R1.211 C=C(C)CCC(=O)C1CC1 1458a_100000210395_100000730704 [0,1,0,1,0,0|2,0,0]=4 7261 B10R1.211 CC(C)CCC(=O)C1CC1 1458a_100000210395_100000210312 [0,1,0,1,0,0|2,0,0]=4 7262 B10R1.211 CC(O)CCC(=O)C1CC1 1458a_100000210395_100012276601 [0,1,0,1,0,0|2,0,0]=4 7263 B10R1.400 CCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210303 [0,1,0,1,0,0|2,0,0]=4 7264 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 11a_100015525214_100000692687 [0,1,0,1,0,0|2,0,0]=4 7265 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 240690a_100015525214_100000692687 [0,1,0,1,0,0|2,0,0]=4 7266 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 527a_100015525214_100000692687 [0,1,0,1,0,0|2,0,0]=4 7267 B10R1.171 CC1(CC(CCO1)S[13CH3])C 62a_100010191092_200025704644 [0,1,0,1,0,0|1,0,1]=4 7268 B10R1.171 CC1(CC(CCO1)S[13CH3])C 62a_200025704644_100010191092 [0,1,0,1,0,0|1,0,1]=4 7269 B10R1.171 CSC1CCOC(C1)(C)C 62a_100010191092_200000210301 [0,1,0,1,0,0|1,0,1]=4 7270 B10R1.171 CSC1CCOC(C1)(C)C 62a_200000210301_100010191092 [0,1,0,1,0,0|1,0,1]=4 7271 B10R2.406 O=C(C1CC1)C2COC2 1458a_100000210395_100000687716 [0,0,0,2,0,0|1,1,0]=4 7272 B10R2.406 O=C(C1CCC1)C2CC2 1458a_100000210395_100000749161 [0,0,0,2,0,0|2,0,0]=4 7273 B10R2.485 O=C(CC1CC1)C2CC2 1458a_100000210395_100000742324 [0,0,0,2,0,0|2,0,0]=4 7274 B10R2.485 O=C(CC1CO1)C2CC2 1458a_100000210395_100011216344 [0,0,0,2,0,0|1,1,0]=4 7275 B10R2.485 O=C(CC1CS1)C2CC2 1458a_100000210395_100000031435 [0,0,0,2,0,0|1,0,0]=3 7276 B10R2.485 O=C(CC1CS1)C2CO2 1458a_100000701028_100000031435 [0,0,0,2,0,0|2,0,0]=4 7277 B10R2.485 O=C(C[C@@H]1CO1)C2CC2 1458a_100000210395_100000745022 [0,0,0,2,0,0|1,1,0]=4