0 B9R1.27 CCN1C(CCC1C)C 2230a_100000687148_100000210202 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.27 CCN1C(CCC1C)C 269982a_100000687148_100000204670 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.27 CCN1C(CCC1C)C 34a_100000687148_100000210202 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.27 CNC1C(=O)CCC1=O 2230a_106832991635_100009820769 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.27 CNC1C(=O)CCC1=O 7a_106832991635_100009820769 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.27 COC1C(=O)COC1=O 34a_100138415774_100000032967 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.27 CSC1C(=O)CCC1=O 62a_100009820769_200000210301 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.27 CSC1C(=O)CCC1=O 62a_200000210301_100009820769 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.27 CSC1C(=O)COC1=O 62a_200000210301_100000032967 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_100009820769_200025704644 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_200025704644_100009820769 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.27 [13CH3]SC1C(=O)COC1=O 62a_200025704644_100000032967 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [1,0,0,0,0,0|1,0,2]=4 14 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [1,0,0,0,0,0|1,0,2]=4 15 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [1,0,0,0,0,0|1,0,2]=4 16 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [1,0,0,0,0,0|1,0,2]=4 17 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [1,0,0,0,0,0|1,0,2]=4 18 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [1,0,0,0,0,0|1,0,2]=4 19 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.187 CCNC1C(=O)CCC1=O 2230a_100015525214_100009820769 [0,1,0,0,0,0|1,0,0]=2 30 B10R1.187 CCOC1C(=O)COC1=O 34a_100121572206_100000032967 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.187 CCSC1C(=O)CCC1=O 62a_100000210202_100009820769 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.187 CCSC1C(=O)CCC1=O 62a_100009820769_100000210202 [0,1,0,0,0,0|1,0,0]=2 33 B10R1.187 CCSC1C(=O)COC1=O 62a_100000210202_100000032967 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.187 O=C1CCC(=O)C1SCF 62a_100009820769_100015361967 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.187 O=C1CCC(=O)C1SCF 62a_100015361967_100009820769 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.187 O=C1COC(=O)C1SCF 62a_100015361967_100000032967 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.192 CN(C)C1C(=O)CCC1=O 2230a_100102631434_100009820769 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.192 CN(C)C1C(=O)CCC1=O 269982a_100102631434_200134615298 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.192 CN(C)C1C(=O)COC1=O 269982a_100102631434_100000032967 [0,1,0,0,0,0|3,0,0]=4 40 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,0,1,0,0,0|2,0,1]=4 41 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,0,1,0,0,0|2,0,1]=4 42 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,0,1,0,0,0|1,0,1]=3 43 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,0,1,0,0,0|1,0,1]=3 44 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,0,1,0,0,0|1,0,1]=3 45 B8R0.1 C#CCCC(=O)NNC 22a_100016993582_100000692101 [0,0,1,0,0,0|2,0,1]=4 46 B8R0.1 C#CCNC(=O)NCC 2708a_100000212058_100015525214 [0,0,1,0,0,0|2,0,1]=4 47 B8R0.1 C#CCNC(=O)NCC 2708a_100015525214_100000212058 [0,0,1,0,0,0|2,0,1]=4 48 B8R0.1 C#CCNC(=O)NCC 273464a_100000212058_100015525214 [0,0,1,0,0,0|2,0,1]=4 49 B8R0.1 C#CCNC(=O)NCC 273464a_100015525214_100000212058 [0,0,1,0,0,0|2,0,1]=4 50 B8R0.1 C#CCNC(=O)NCC 512a_100000212058_100015525214 [0,0,1,0,0,0|2,0,1]=4 51 B8R0.1 C#CCNC(=O)NCC 512a_100015525214_100000212058 [0,0,1,0,0,0|2,0,1]=4 52 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,0,1,0,0,0|2,0,1]=4 53 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [0,0,1,0,0,0|2,0,1]=4 54 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,0,1,0,0,0|2,0,1]=4 55 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,0,1,0,0,0|2,0,0]=3 56 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,0,1,0,0,0|2,0,0]=3 57 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,0,1,0,0,0|3,0,0]=4 58 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,0,1,0,0,0|3,0,0]=4 59 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,0,1,0,0,0|3,0,0]=4 60 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,0,1,0,0,0|3,0,0]=4 61 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,0,1,0,0,0|3,0,0]=4 62 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,0,1,0,0,0|1,0,0]=2 63 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,0,1,0,0,0|1,0,0]=2 64 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,0,1,0,0,0|1,0,0]=2 65 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [0,0,1,0,0,0|2,0,0]=3 66 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [0,0,1,0,0,0|2,0,1]=4 67 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,0,1,0,0,0|3,0,0]=4 68 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,0,1,0,0,0|3,0,0]=4 69 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,0,1,0,0,0|3,0,0]=4 70 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,0,1,0,0,0|2,0,0]=3 71 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,0,1,0,0,0|2,0,0]=3 72 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,0,1,0,0,0|2,0,0]=3 73 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,0,1,0,0,0|2,0,0]=3 74 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,0,1,0,0,0|2,0,0]=3 75 B8R0.1 C=CCNC(=O)NNC 273464a_100020586998_100016993582 [0,0,1,0,0,0|3,0,0]=4 76 B8R0.1 C=CCNC(=O)NNC 512a_100016993582_100020586998 [0,0,1,0,0,0|3,0,0]=4 77 B8R0.1 C=CCNC(=O)NNC 512a_100020586998_100016993582 [0,0,1,0,0,0|3,0,0]=4 78 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,0,1,0,0,0|2,0,1]=4 79 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,0,1,0,0,0|2,0,1]=4 80 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,0,1,0,0,0|1,0,1]=3 81 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,0,1,0,0,0|1,0,1]=3 82 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,0,1,0,0,0|1,0,1]=3 83 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,0,1,0,0,0|2,0,1]=4 84 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,0,1,0,0,0|2,0,1]=4 85 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,0,1,0,0,0|2,0,1]=4 86 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,0,1,0,0,0|2,0,1]=4 87 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,0,1,0,0,0|1,0,2]=4 88 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,0,1,0,0,0|3,0,0]=4 89 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,0,1,0,0,0|3,0,0]=4 90 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,0,1,0,0,0|3,0,0]=4 91 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,0,1,0,0,0|3,0,0]=4 92 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,0,1,0,0,0|2,0,1]=4 93 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,0,1,0,0,0|2,0,1]=4 94 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,0,1,0,0,0|1,0,1]=3 95 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,0,1,0,0,0|1,0,1]=3 96 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,0,1,0,0,0|1,0,1]=3 97 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,0,1,0,0,0|2,0,1]=4 98 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,0,1,0,0,0|2,0,1]=4 99 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,0,1,0,0,0|2,0,1]=4 100 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,0,1,0,0,0|2,0,1]=4 101 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,0,1,0,0,0|2,0,1]=4 102 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,0,1,0,0,0|2,0,1]=4 103 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,0,1,0,0,0|2,0,1]=4 104 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,0,1,0,0,0|1,0,1]=3 105 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,0,1,0,0,0|1,0,1]=3 106 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,0,1,0,0,0|1,0,1]=3 107 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,0,1,0,0,0|2,0,0]=3 108 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,0,1,0,0,0|2,0,0]=3 109 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,0,1,0,0,0|2,0,0]=3 110 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,0,1,0,0,0|2,0,0]=3 111 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,0,1,0,0,0|2,0,0]=3 112 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,0,1,0,0,0|2,0,0]=3 113 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,0,1,0,0,0|2,0,0]=3 114 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,0,1,0,0,0|2,0,0]=3 115 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,0,1,0,0,0|2,0,0]=3 116 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,0,1,0,0,0|2,0,0]=3 117 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,0,1,0,0,0|2,0,0]=3 118 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,0,1,0,0,0|2,0,0]=3 119 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,0,1,0,0,0|2,0,0]=3 120 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,0,1,0,0,0|2,0,0]=3 121 B8R0.1 CCNC(=O)CN=[N+]=[N-] 11a_100015525214_100000751907 [0,0,1,0,0,0|3,0,0]=4 122 B8R0.1 CCNC(=O)CN=[N+]=[N-] 240690a_100015525214_100000751907 [0,0,1,0,0,0|3,0,0]=4 123 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,0,1,0,0,0|2,0,1]=4 124 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,0,1,0,0,0|2,0,1]=4 125 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,0,1,0,0,0|2,0,1]=4 126 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,0,1,0,0,0|2,0,1]=4 127 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,0,1,0,0,0|2,0,1]=4 128 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,0,1,0,0,0|2,0,1]=4 129 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,0,1,0,0,0|2,0,1]=4 130 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,0,1,0,0,0|2,0,1]=4 131 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,0,1,0,0,0|2,0,1]=4 132 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,0,1,0,0,0|2,0,1]=4 133 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,0,1,0,0,0|2,0,1]=4 134 B8R0.1 CCNC(=O)NCC#N 2708a_100000734998_100015525214 [0,0,1,0,0,0|2,0,1]=4 135 B8R0.1 CCNC(=O)NCC#N 273464a_100000734998_100015525214 [0,0,1,0,0,0|2,0,1]=4 136 B8R0.1 CCNC(=O)NCC#N 273464a_100015525214_100000734998 [0,0,1,0,0,0|2,0,1]=4 137 B8R0.1 CCNC(=O)NCC#N 512a_100000734998_100015525214 [0,0,1,0,0,0|2,0,1]=4 138 B8R0.1 CCNC(=O)NCC#N 512a_100015525214_100000734998 [0,0,1,0,0,0|2,0,1]=4 139 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,0,1,0,0,0|2,0,1]=4 140 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,0,1,0,0,0|2,0,1]=4 141 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,0,1,0,0,0|2,0,1]=4 142 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,0,1,0,0,0|2,0,1]=4 143 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,0,1,0,0,0|1,0,2]=4 144 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,0,1,0,0,0|1,0,2]=4 145 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,0,1,0,0,0|1,0,2]=4 146 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,0,1,0,0,0|1,0,2]=4 147 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,0,1,0,0,0|2,0,1]=4 148 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,0,1,0,0,0|2,0,1]=4 149 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,0,1,0,0,0|3,0,0]=4 150 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,0,1,0,0,0|3,0,0]=4 151 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,0,1,0,0,0|3,0,0]=4 152 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,0,1,0,0,0|3,0,0]=4 153 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,0,1,0,0,0|3,0,0]=4 154 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,0,1,0,0,0|3,0,0]=4 155 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,0,1,0,0,0|3,0,0]=4 156 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,0,1,0,0,0|3,0,0]=4 157 B8R0.1 CNNC(=O)CCC#N 22a_100016993582_100011934036 [0,0,1,0,0,0|2,0,1]=4 158 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,0,1,0,0,0|3,0,0]=4 159 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,0,1,0,0,0|3,0,0]=4 160 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [0,0,1,0,0,0|2,0,0]=3 161 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [0,0,1,0,0,0|2,0,0]=3 162 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [0,0,1,0,0,0|2,0,0]=3 163 B8R0.18 CCC(C(=O)C)N(C)C 1458a_100000689100_200000210301 [0,0,1,0,0,0|3,0,0]=4 164 B8R0.18 CCC(C(=O)[13CH3])N(C)C 1458a_100000689100_200025704644 [0,0,1,0,0,0|3,0,0]=4 165 B8R0.18 CCN(C(=O)C)C(C)C 11a_100000223864_100015343762 [0,0,1,0,0,0|1,0,1]=3 166 B8R0.18 CCN(C(=O)C)C(C)C 1626a_100000223864_100015343762 [0,0,1,0,0,0|1,0,1]=3 167 B8R0.18 CCN(C(=O)C)C(C)C 240690a_100000223864_100015343762 [0,0,1,0,0,0|1,0,1]=3 168 B8R0.18 CCN(C(=O)C)C(C)C 527a_100000223864_100103153847 [0,0,1,0,0,0|1,0,1]=3 169 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [0,0,1,0,0,0|2,0,0]=3 170 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [0,0,1,0,0,0|2,0,0]=3 171 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,0,1,0,0,0|2,0,1]=4 172 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,0,1,0,0,0|2,0,1]=4 173 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,0,1,0,0,0|3,0,0]=4 174 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,0,1,0,0,0|3,0,0]=4 175 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,0,1,0,0,0|3,0,0]=4 176 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,0,1,0,0,0|3,0,0]=4 177 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,0,1,0,0,0|3,0,0]=4 178 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [0,0,1,0,0,0|1,0,1]=3 179 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [0,0,1,0,0,0|1,0,1]=3 180 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [0,0,1,0,0,0|1,0,1]=3 181 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [0,0,1,0,0,0|1,0,1]=3 182 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [0,0,1,0,0,0|2,0,1]=4 183 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [0,0,1,0,0,0|2,0,1]=4 184 B8R0.20 CCN(CC)C(=O)NC 2708a_100102657272_100000724800 [0,0,1,0,0,0|2,0,1]=4 185 B8R0.20 CCN(CC)C(=O)NC 273464a_100102657272_100000724800 [0,0,1,0,0,0|2,0,1]=4 186 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,0,1,0,0,0|3,0,0]=4 187 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [0,0,1,0,0,0|3,0,0]=4 188 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [0,0,1,0,0,0|3,0,0]=4 189 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [0,0,1,0,0,0|3,0,0]=4 190 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [0,0,1,0,0,0|3,0,0]=4 191 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [0,0,1,0,0,0|3,0,0]=4 192 B10R1.30 CCn1cc(ccc1=O)O 271570a_203496583355_100000231005 [0,0,0,0,0,1|0,0,3]=4 193 B10R1.245 CCC1C(=O)NCCN1C 2230a_100000187962_200000210301 [0,0,0,0,0,1|3,0,0]=4 194 B10R1.245 CCC1C(=O)NCCN1C 269982a_100000187962_200000210301 [0,0,0,0,0,1|3,0,0]=4 195 B10R1.245 CCC1C(=O)NCCN1C 34a_100000187962_200000210301 [0,0,0,0,0,1|3,0,0]=4 196 B10R1.245 CCC1C(=O)NCCN1[13CH3] 2230a_100000187962_200025704644 [0,0,0,0,0,1|3,0,0]=4 197 B10R1.245 CCC1C(=O)NCCN1[13CH3] 269982a_100000187962_200025704644 [0,0,0,0,0,1|3,0,0]=4 198 B10R1.245 CCC1C(=O)NCCN1[13CH3] 34a_100000187962_200025704644 [0,0,0,0,0,1|3,0,0]=4 199 B10R1.245 CNC1C(=O)CCCC1=O 2230a_106832991635_100009814513 [0,0,0,0,0,1|2,0,0]=3 200 B10R1.245 CNC1C(=O)CCCC1=O 7a_106832991635_100009814513 [0,0,0,0,0,1|2,0,0]=3 201 B10R1.245 CSC1C(=O)CCCC1=O 62a_100009814513_200000210301 [0,0,0,0,0,1|2,0,0]=3 202 B10R1.245 CSC1C(=O)CCCC1=O 62a_200000210301_100009814513 [0,0,0,0,0,1|2,0,0]=3 203 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_100009814513_200025704644 [0,0,0,0,0,1|2,0,0]=3 204 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_200025704644_100009814513 [0,0,0,0,0,1|2,0,0]=3 205 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,1,0,0,0|1,0,1]=4 206 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,1,0,0,0|1,0,1]=4 207 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,1,0,0,0|1,0,1]=4 208 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,1,0,0,0|0,0,1]=3 209 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,1,0,0,0|1,0,1]=4 210 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,1,0,0,0|1,0,1]=4 211 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,0,1,0,0,0|1,0,1]=4 212 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,0,1,0,0,0|1,0,1]=4 213 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [1,0,1,0,0,0|1,0,1]=4 214 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [1,0,1,0,0,0|1,0,1]=4 215 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [1,0,1,0,0,0|1,0,1]=4 216 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [1,0,1,0,0,0|1,0,1]=4 217 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,1,0,0,0|1,0,1]=4 218 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,1,0,0,0|1,0,0]=3 219 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,1,0,0,0|1,0,0]=3 220 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [1,0,1,0,0,0|2,0,0]=4 221 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,0,1,0,0,0|2,0,0]=4 222 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [1,0,1,0,0,0|1,0,0]=3 223 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [1,0,1,0,0,0|1,0,0]=3 224 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [1,0,1,0,0,0|1,0,0]=3 225 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [1,0,1,0,0,0|1,0,0]=3 226 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,0,1,0,0,0|2,0,0]=4 227 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,0,1,0,0,0|2,0,0]=4 228 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,0,1,0,0,0|2,0,0]=4 229 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [1,0,1,0,0,0|2,0,0]=4 230 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [1,0,1,0,0,0|2,0,0]=4 231 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [1,0,1,0,0,0|2,0,0]=4 232 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [1,0,1,0,0,0|2,0,0]=4 233 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [1,0,1,0,0,0|2,0,0]=4 234 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,1,0,0,0|1,0,1]=4 235 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,1,0,0,0|1,0,1]=4 236 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,0,1,0,0,0|1,0,1]=4 237 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,0,1,0,0,0|1,0,1]=4 238 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,0,1,0,0,0|1,0,1]=4 239 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,0,1,0,0,0|1,0,1]=4 240 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,0,1,0,0,0|1,0,1]=4 241 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,0,1,0,0,0|1,0,1]=4 242 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,1,0,0,0|1,0,1]=4 243 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,1,0,0,0|0,0,2]=4 244 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,1,0,0,0|2,0,0]=4 245 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,1,0,0,0|2,0,0]=4 246 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,1,0,0,0|2,0,0]=4 247 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,1,0,0,0|2,0,0]=4 248 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,1,0,0,0|1,0,1]=4 249 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,1,0,0,0|1,0,1]=4 250 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,1,0,0,0|1,0,1]=4 251 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,1,0,0,0|1,0,1]=4 252 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,1,0,0,0|1,0,1]=4 253 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,1,0,0,0|1,0,1]=4 254 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [1,0,1,0,0,0|1,0,1]=4 255 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [1,0,1,0,0,0|1,0,1]=4 256 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [1,0,1,0,0,0|1,0,1]=4 257 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [1,0,1,0,0,0|1,0,1]=4 258 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,0,1,0,0,0|2,0,0]=4 259 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,0,1,0,0,0|2,0,0]=4 260 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,1,0,0,0|2,0,0]=4 261 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,1,0,0,0|2,0,0]=4 262 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,1,0,0,0|2,0,0]=4 263 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,1,0,0,0|2,0,0]=4 264 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,1,0,0,0|2,0,0]=4 265 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,1,0,0,0|2,0,0]=4 266 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,1,0,0,0|2,0,0]=4 267 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,1,0,0,0|2,0,0]=4 268 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,1,0,0,0|2,0,0]=4 269 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,1,0,0,0|2,0,0]=4 270 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,1,0,0,0|2,0,0]=4 271 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,1,0,0,0|2,0,0]=4 272 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,1,0,0,0|2,0,0]=4 273 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,1,0,0,0|2,0,0]=4 274 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,1,0,0,0|2,0,0]=4 275 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,0,1,0,0,0|2,0,0]=4 276 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,0,1,0,0,0|2,0,0]=4 277 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,0,1,0,0,0|2,0,0]=4 278 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,0,1,0,0,0|2,0,0]=4 279 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,0,1,0,0,0|2,0,0]=4 280 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [1,0,1,0,0,0|0,0,2]=4 281 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,0,1,0,0,0|1,0,1]=4 282 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,0,1,0,0,0|1,0,1]=4 283 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,0,1,0,0,0|0,0,1]=3 284 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,0,1,0,0,0|0,0,1]=3 285 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,0,1,0,0,0|0,0,1]=3 286 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [1,0,1,0,0,0|1,0,1]=4 287 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,0,1,0,0,0|1,0,1]=4 288 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,0,1,0,0,0|1,0,1]=4 289 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,0,1,0,0,0|1,0,1]=4 290 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,0,1,0,0,0|2,0,0]=4 291 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,0,1,0,0,0|1,0,1]=4 292 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,0,1,0,0,0|1,0,1]=4 293 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,0,1,0,0,0|0,0,1]=3 294 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,0,1,0,0,0|0,0,1]=3 295 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,0,1,0,0,0|0,0,1]=3 296 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,0,1,0,0,0|1,0,1]=4 297 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [1,0,1,0,0,0|1,0,1]=4 298 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [1,0,1,0,0,0|1,0,1]=4 299 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [1,0,1,0,0,0|1,0,1]=4 300 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [1,0,1,0,0,0|1,0,1]=4 301 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,0,1,0,0,0|0,0,1]=3 302 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,0,1,0,0,0|1,0,1]=4 303 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,0,1,0,0,0|1,0,1]=4 304 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,0,1,0,0,0|1,0,1]=4 305 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,0,1,0,0,0|1,0,1]=4 306 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,0,1,0,0,0|1,0,1]=4 307 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,0,1,0,0,0|1,0,1]=4 308 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,0,1,0,0,0|1,0,1]=4 309 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,0,1,0,0,0|1,0,1]=4 310 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,0,1,0,0,0|1,0,1]=4 311 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,0,1,0,0,0|1,0,1]=4 312 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,0,1,0,0,0|1,0,1]=4 313 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,0,1,0,0,0|1,0,1]=4 314 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,0,1,0,0,0|1,0,1]=4 315 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,0,1,0,0,0|1,0,1]=4 316 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,0,1,0,0,0|1,0,1]=4 317 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,0,1,0,0,0|1,0,1]=4 318 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,0,1,0,0,0|1,0,1]=4 319 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,0,1,0,0,0|1,0,1]=4 320 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,0,1,0,0,0|1,0,1]=4 321 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [1,0,1,0,0,0|1,0,1]=4 322 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,0,1,0,0,0|1,0,1]=4 323 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,0,1,0,0,0|1,0,1]=4 324 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,0,1,0,0,0|1,0,1]=4 325 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,0,1,0,0,0|2,0,0]=4 326 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,0,1,0,0,0|2,0,0]=4 327 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [1,0,1,0,0,0|0,0,1]=3 328 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [1,0,1,0,0,0|0,0,1]=3 329 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [1,0,1,0,0,0|0,0,1]=3 330 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [1,0,1,0,0,0|0,0,1]=3 331 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [1,0,1,0,0,0|1,0,0]=3 332 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [1,0,1,0,0,0|2,0,0]=4 333 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [1,0,1,0,0,0|1,0,1]=4 334 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [1,0,1,0,0,0|1,0,1]=4 335 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [1,0,1,0,0,0|1,0,1]=4 336 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [1,0,1,0,0,0|1,0,1]=4 337 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,0,1,0,0,0|2,0,0]=4 338 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [1,0,1,0,0,0|2,0,0]=4 339 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,0,1,0,0,0|2,0,0]=4 340 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,0,1,0,0,0|1,0,1]=4 341 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,0,1,0,0,0|1,0,1]=4 342 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,0,1,0,0,0|1,0,1]=4 343 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,0,1,0,0,0|0,0,1]=3 344 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,0,1,0,0,0|0,0,1]=3 345 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,0,1,0,0,0|0,0,1]=3 346 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,0,1,0,0,0|0,0,1]=3 347 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,0,1,0,0,0|1,0,1]=4 348 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,0,1,0,0,0|1,0,1]=4 349 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,0,1,0,0,0|1,0,1]=4 350 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,0,1,0,0,0|1,0,1]=4 351 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [2,0,0,0,0,0|0,0,2]=4 352 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [2,0,0,0,0,0|0,0,2]=4 353 B9R0.4 C#CCCC(=O)NC(C)C 11a_100138425928_100000692101 [0,1,1,0,0,0|1,0,1]=4 354 B9R0.4 C#CCCC(=O)NC(C)C 1626a_100138425928_100000692101 [0,1,1,0,0,0|1,0,1]=4 355 B9R0.4 C#CCCC(=O)NC(C)C 240690a_100138425928_100000692101 [0,1,1,0,0,0|1,0,1]=4 356 B9R0.4 C#CCCC(=O)NC(C)C 527a_100138425928_100000692101 [0,1,1,0,0,0|1,0,1]=4 357 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [0,1,1,0,0,0|2,0,0]=4 358 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [0,1,1,0,0,0|2,0,0]=4 359 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [0,1,1,0,0,0|2,0,0]=4 360 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [0,1,1,0,0,0|2,0,0]=4 361 B9R0.4 C=CCCC(=O)NC(C)C 11a_100138425928_100000749702 [0,1,1,0,0,0|1,0,0]=3 362 B9R0.4 C=CCCC(=O)NC(C)C 1626a_100138425928_100000749702 [0,1,1,0,0,0|1,0,0]=3 363 B9R0.4 C=CCCC(=O)NC(C)C 240690a_100138425928_100000749702 [0,1,1,0,0,0|1,0,0]=3 364 B9R0.4 C=CCCC(=O)NC(C)C 527a_100138425928_100000749702 [0,1,1,0,0,0|1,0,0]=3 365 B9R0.4 C=CCNC(=O)NC(C)C 2708a_100138425928_100020586998 [0,1,1,0,0,0|2,0,0]=4 366 B9R0.4 C=CCNC(=O)NC(C)C 273464a_100138425928_100020586998 [0,1,1,0,0,0|2,0,0]=4 367 B9R0.4 C=CCNC(=O)NC(C)C 512a_100020586998_100138425928 [0,1,1,0,0,0|2,0,0]=4 368 B9R0.4 C=CCNC(=O)NC(C)C 512a_100138425928_100020586998 [0,1,1,0,0,0|2,0,0]=4 369 B9R0.4 CC(C)NC(=O)CCC#N 11a_100138425928_100011934036 [0,1,1,0,0,0|1,0,1]=4 370 B9R0.4 CC(C)NC(=O)CCC#N 1626a_100138425928_100011934036 [0,1,1,0,0,0|1,0,1]=4 371 B9R0.4 CC(C)NC(=O)CCC#N 240690a_100138425928_100011934036 [0,1,1,0,0,0|1,0,1]=4 372 B9R0.4 CC(C)NC(=O)CCC#N 527a_100138425928_100011934036 [0,1,1,0,0,0|1,0,1]=4 373 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,1,1,0,0,0|2,0,0]=4 374 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,1,1,0,0,0|2,0,0]=4 375 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [0,1,1,0,0,0|1,0,1]=4 376 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [0,1,1,0,0,0|1,0,1]=4 377 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [0,1,1,0,0,0|1,0,1]=4 378 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [0,1,1,0,0,0|1,0,1]=4 379 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,1,1,0,0,0|1,0,1]=4 380 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,1,1,0,0,0|1,0,1]=4 381 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,1,1,0,0,0|1,0,1]=4 382 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,1,1,0,0,0|1,0,1]=4 383 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,1,1,0,0,0|2,0,0]=4 384 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,1,1,0,0,0|2,0,0]=4 385 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,1,1,0,0,0|2,0,0]=4 386 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,1,1,0,0,0|2,0,0]=4 387 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,1,1,0,0,0|2,0,0]=4 388 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,1,1,0,0,0|2,0,0]=4 389 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,1,1,0,0,0|2,0,0]=4 390 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,1,1,0,0,0|2,0,0]=4 391 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,1,1,0,0,0|2,0,0]=4 392 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,1,1,0,0,0|2,0,0]=4 393 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,1,1,0,0,0|2,0,0]=4 394 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,1,1,0,0,0|2,0,0]=4 395 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,1,1,0,0,0|1,0,1]=4 396 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,1,1,0,0,0|1,0,1]=4 397 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,1,1,0,0,0|1,0,1]=4 398 B9R0.5 C#CCCNC(=O)NCC 2708a_100000755551_100015525214 [0,1,1,0,0,0|1,0,1]=4 399 B9R0.5 C#CCCNC(=O)NCC 2708a_100015525214_100000755551 [0,1,1,0,0,0|1,0,1]=4 400 B9R0.5 C#CCCNC(=O)NCC 273464a_100000755551_100015525214 [0,1,1,0,0,0|1,0,1]=4 401 B9R0.5 C#CCCNC(=O)NCC 273464a_100015525214_100000755551 [0,1,1,0,0,0|1,0,1]=4 402 B9R0.5 C#CCCNC(=O)NCC 512a_100000755551_100015525214 [0,1,1,0,0,0|1,0,1]=4 403 B9R0.5 C#CCCNC(=O)NCC 512a_100015525214_100000755551 [0,1,1,0,0,0|1,0,1]=4 404 B9R0.5 C#CCNCC(=O)NCC 2230a_100016988866_100000038162 [0,1,1,0,0,0|1,0,1]=4 405 B9R0.5 C#CCNCC(=O)NCC 34a_100000212058_100000183381 [0,1,1,0,0,0|1,0,1]=4 406 B9R0.5 C#CCOCC(=O)NCC 11a_100015525214_100011251226 [0,1,1,0,0,0|1,0,1]=4 407 B9R0.5 C#CCOCC(=O)NCC 34a_100000210247_100000183381 [0,1,1,0,0,0|1,0,1]=4 408 B9R0.5 C#CCOCC(=O)NCC 527a_100015525214_100011251226 [0,1,1,0,0,0|1,0,1]=4 409 B9R0.5 C#CCSCC(=O)NCC 62a_100000038162_100000183381 [0,1,1,0,0,0|1,0,1]=4 410 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,1,1,0,0,0|2,0,0]=4 411 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,1,1,0,0,0|2,0,0]=4 412 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,1,1,0,0,0|1,0,0]=3 413 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,1,1,0,0,0|1,0,0]=3 414 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,1,1,0,0,0|1,0,0]=3 415 B9R0.5 C=CCCCC(=O)NNC 22a_100016993582_100000766728 [0,1,1,0,0,0|2,0,0]=4 416 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [0,1,1,0,0,0|2,0,0]=4 417 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [0,1,1,0,0,0|2,0,0]=4 418 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [0,1,1,0,0,0|2,0,0]=4 419 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [0,1,1,0,0,0|2,0,0]=4 420 B9R0.5 C=CCCNC(=O)NCC 2708a_100015191253_100015525214 [0,1,1,0,0,0|1,0,0]=3 421 B9R0.5 C=CCCNC(=O)NCC 2708a_100015525214_100015191253 [0,1,1,0,0,0|1,0,0]=3 422 B9R0.5 C=CCCNC(=O)NCC 273464a_100015191253_100015525214 [0,1,1,0,0,0|1,0,0]=3 423 B9R0.5 C=CCCNC(=O)NCC 273464a_100015525214_100015191253 [0,1,1,0,0,0|1,0,0]=3 424 B9R0.5 C=CCCNC(=O)NCC 512a_100015191253_100015525214 [0,1,1,0,0,0|1,0,0]=3 425 B9R0.5 C=CCCNC(=O)NCC 512a_100015525214_100015191253 [0,1,1,0,0,0|1,0,0]=3 426 B9R0.5 C=CCCNC(=O)NNC 273464a_100015191253_100016993582 [0,1,1,0,0,0|2,0,0]=4 427 B9R0.5 C=CCCNC(=O)NNC 512a_100015191253_100016993582 [0,1,1,0,0,0|2,0,0]=4 428 B9R0.5 C=CCCNC(=O)NNC 512a_100016993582_100015191253 [0,1,1,0,0,0|2,0,0]=4 429 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [0,1,1,0,0,0|2,0,0]=4 430 B9R0.5 C=CCNCC(=O)NCC 2230a_100016988866_100000210623 [0,1,1,0,0,0|1,0,0]=3 431 B9R0.5 C=CCNCC(=O)NCC 2230a_100020586998_100000183381 [0,1,1,0,0,0|1,0,0]=3 432 B9R0.5 C=CCNCC(=O)NCO 2230a_100020586998_100000185155 [0,1,1,0,0,0|2,0,0]=4 433 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,1,1,0,0,0|2,0,0]=4 434 B9R0.5 C=CCNNC(=O)NCC 273464a_100015525214_100020588587 [0,1,1,0,0,0|2,0,0]=4 435 B9R0.5 C=CCNNC(=O)NCC 512a_100015525214_100020588587 [0,1,1,0,0,0|2,0,0]=4 436 B9R0.5 C=CCNNC(=O)NCC 512a_100020588587_100015525214 [0,1,1,0,0,0|2,0,0]=4 437 B9R0.5 C=CCOCC(=O)NCC 34a_200000210373_100000183381 [0,1,1,0,0,0|1,0,0]=3 438 B9R0.5 C=CCOCC(=O)NCO 34a_200000210373_100000185155 [0,1,1,0,0,0|2,0,0]=4 439 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,1,1,0,0,0|2,0,0]=4 440 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [0,1,1,0,0,0|2,0,0]=4 441 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [0,1,1,0,0,0|2,0,0]=4 442 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [0,1,1,0,0,0|2,0,0]=4 443 B9R0.5 C=CCSCC(=O)NCC 11a_100015525214_100000230395 [0,1,1,0,0,0|1,0,0]=3 444 B9R0.5 C=CCSCC(=O)NCC 240690a_100015525214_100000230395 [0,1,1,0,0,0|1,0,0]=3 445 B9R0.5 C=CCSCC(=O)NCC 527a_100015525214_100000230395 [0,1,1,0,0,0|1,0,0]=3 446 B9R0.5 C=CCSCC(=O)NCC 62a_100000183381_100000210623 [0,1,1,0,0,0|1,0,0]=3 447 B9R0.5 C=CCSCC(=O)NCC 62a_100000210623_100000183381 [0,1,1,0,0,0|1,0,0]=3 448 B9R0.5 C=CCSCC(=O)NCO 62a_100000185155_100000210623 [0,1,1,0,0,0|2,0,0]=4 449 B9R0.5 C=CCSCC(=O)NCO 62a_100000210623_100000185155 [0,1,1,0,0,0|2,0,0]=4 450 B9R0.5 C=CCSCC(=O)NNC 22a_100016993582_100000230395 [0,1,1,0,0,0|2,0,0]=4 451 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,1,1,0,0,0|2,0,0]=4 452 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,1,1,0,0,0|2,0,0]=4 453 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [0,1,1,0,0,0|2,0,0]=4 454 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,1,1,0,0,0|1,0,1]=4 455 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,1,1,0,0,0|1,0,1]=4 456 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,1,1,0,0,0|1,0,1]=4 457 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,1,1,0,0,0|1,0,0]=3 458 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,1,1,0,0,0|1,0,0]=3 459 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,1,1,0,0,0|1,0,1]=4 460 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,1,1,0,0,0|1,0,1]=4 461 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,1,1,0,0,0|1,0,1]=4 462 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,1,1,0,0,0|1,0,1]=4 463 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,1,1,0,0,0|1,0,1]=4 464 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,1,1,0,0,0|1,0,1]=4 465 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,1,1,0,0,0|1,0,1]=4 466 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,1,1,0,0,0|1,0,1]=4 467 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,1,1,0,0,0|1,0,1]=4 468 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,1,1,0,0,0|1,0,1]=4 469 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,1,1,0,0,0|1,0,1]=4 470 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,1,1,0,0,0|1,0,1]=4 471 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,1,1,0,0,0|1,0,1]=4 472 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,1,1,0,0,0|1,0,1]=4 473 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,1,1,0,0,0|1,0,1]=4 474 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,1,1,0,0,0|1,0,1]=4 475 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,1,1,0,0,0|1,0,1]=4 476 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,1,1,0,0,0|1,0,1]=4 477 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,1,1,0,0,0|1,0,1]=4 478 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,1,1,0,0,0|1,0,1]=4 479 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,1,1,0,0,0|1,0,1]=4 480 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,1,1,0,0,0|1,0,1]=4 481 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,1,1,0,0,0|0,0,2]=4 482 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,1,1,0,0,0|0,0,2]=4 483 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,1,1,0,0,0|0,0,2]=4 484 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,1,1,0,0,0|0,1,1]=4 485 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,1,1,0,0,0|0,1,1]=4 486 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,1,1,0,0,0|0,1,1]=4 487 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 11a_100015525214_100000688302 [0,1,1,0,0,0|2,0,0]=4 488 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 240690a_100015525214_100000688302 [0,1,1,0,0,0|2,0,0]=4 489 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,1,1,0,0,0|1,0,1]=4 490 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,1,1,0,0,0|1,0,1]=4 491 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,1,1,0,0,0|1,0,1]=4 492 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,1,1,0,0,0|1,0,1]=4 493 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,1,1,0,0,0|1,0,1]=4 494 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,1,1,0,0,0|1,0,1]=4 495 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,1,1,0,0,0|1,0,1]=4 496 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,1,1,0,0,0|1,0,1]=4 497 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,1,1,0,0,0|1,0,1]=4 498 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,1,1,0,0,0|1,0,1]=4 499 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,1,1,0,0,0|1,0,1]=4 500 B9R0.5 CCNC(=O)CNCC#N 2230a_100016988866_100011215382 [0,1,1,0,0,0|1,0,1]=4 501 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [0,1,1,0,0,0|0,0,0]=2 502 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,1,1,0,0,0|1,0,1]=4 503 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,1,1,0,0,0|1,0,1]=4 504 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,1,1,0,0,0|0,0,2]=4 505 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,1,1,0,0,0|0,0,2]=4 506 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,1,1,0,0,0|0,0,2]=4 507 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,1,1,0,0,0|2,0,0]=4 508 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,1,1,0,0,0|2,0,0]=4 509 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,1,1,0,0,0|1,0,1]=4 510 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,1,1,0,0,0|1,0,1]=4 511 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,1,1,0,0,0|0,0,2]=4 512 B9R0.5 CCNC(=O)CSCC#N 11a_100015525214_100000150266 [0,1,1,0,0,0|1,0,1]=4 513 B9R0.5 CCNC(=O)CSCC#N 240690a_100015525214_100000150266 [0,1,1,0,0,0|1,0,1]=4 514 B9R0.5 CCNC(=O)CSCC#N 62a_100000183381_100011215382 [0,1,1,0,0,0|1,0,1]=4 515 B9R0.5 CCNC(=O)CSCC#N 62a_100011215382_100000183381 [0,1,1,0,0,0|1,0,1]=4 516 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [0,1,1,0,0,0|0,0,0]=2 517 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [0,1,1,0,0,0|0,0,0]=2 518 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,1,1,0,0,0|1,0,1]=4 519 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,1,1,0,0,0|1,0,1]=4 520 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,1,1,0,0,0|0,0,2]=4 521 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,1,1,0,0,0|0,0,2]=4 522 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,1,1,0,0,0|2,0,0]=4 523 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,1,1,0,0,0|2,0,0]=4 524 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,1,1,0,0,0|2,0,0]=4 525 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,1,1,0,0,0|2,0,0]=4 526 B9R0.5 CCNC(=O)NCCC#N 2708a_100000720768_100015525214 [0,1,1,0,0,0|1,0,1]=4 527 B9R0.5 CCNC(=O)NCCC#N 2708a_100015525214_100000720768 [0,1,1,0,0,0|1,0,1]=4 528 B9R0.5 CCNC(=O)NCCC#N 273464a_100000720768_100015525214 [0,1,1,0,0,0|1,0,1]=4 529 B9R0.5 CCNC(=O)NCCC#N 273464a_100015525214_100000720768 [0,1,1,0,0,0|1,0,1]=4 530 B9R0.5 CCNC(=O)NCCC#N 512a_100000720768_100015525214 [0,1,1,0,0,0|1,0,1]=4 531 B9R0.5 CCNC(=O)NCCC#N 512a_100015525214_100000720768 [0,1,1,0,0,0|1,0,1]=4 532 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,1,1,0,0,0|1,0,1]=4 533 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,1,1,0,0,0|1,0,1]=4 534 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,1,1,0,0,0|1,0,1]=4 535 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,1,1,0,0,0|1,0,1]=4 536 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,1,1,0,0,0|1,0,1]=4 537 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,1,1,0,0,0|1,0,1]=4 538 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,1,1,0,0,0|0,0,2]=4 539 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,1,1,0,0,0|0,0,2]=4 540 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,1,1,0,0,0|0,0,2]=4 541 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,1,1,0,0,0|0,0,2]=4 542 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,1,1,0,0,0|2,0,0]=4 543 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,1,1,0,0,0|2,0,0]=4 544 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,1,1,0,0,0|2,0,0]=4 545 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,1,1,0,0,0|2,0,0]=4 546 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,1,1,0,0,0|2,0,0]=4 547 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,1,1,0,0,0|2,0,0]=4 548 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,1,1,0,0,0|2,0,0]=4 549 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,1,1,0,0,0|2,0,0]=4 550 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,1,1,0,0,0|2,0,0]=4 551 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,1,1,0,0,0|1,0,1]=4 552 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,1,1,0,0,0|1,0,1]=4 553 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,1,1,0,0,0|1,0,0]=3 554 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,1,1,0,0,0|1,0,0]=3 555 B9R0.5 O=CCSCC(=O)NCO 62a_100000185155_200015260668 [0,1,1,0,0,0|1,0,0]=3 556 B9R0.5 O=CCSCC(=O)NCO 62a_200015260668_100000185155 [0,1,1,0,0,0|1,0,0]=3 557 B9R0.8 C#CCCC(=O)N(C)CC 11a_100000225621_100000692101 [0,1,1,0,0,0|1,0,1]=4 558 B9R0.8 C#CCCC(=O)N(C)CC 1626a_100000225621_100000692101 [0,1,1,0,0,0|1,0,1]=4 559 B9R0.8 C#CCCC(=O)N(C)CC 240690a_100000225621_100000692101 [0,1,1,0,0,0|1,0,1]=4 560 B9R0.8 C#CCCC(=O)N(C)CC 527a_100000225621_100000692101 [0,1,1,0,0,0|1,0,1]=4 561 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [0,1,1,0,0,0|2,0,0]=4 562 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [0,1,1,0,0,0|2,0,0]=4 563 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [0,1,1,0,0,0|2,0,0]=4 564 B9R0.8 C=CCCC(=O)N(C)CC 11a_100000225621_100000749702 [0,1,1,0,0,0|1,0,0]=3 565 B9R0.8 C=CCCC(=O)N(C)CC 1626a_100000225621_100000749702 [0,1,1,0,0,0|1,0,0]=3 566 B9R0.8 C=CCCC(=O)N(C)CC 240690a_100000225621_100000749702 [0,1,1,0,0,0|1,0,0]=3 567 B9R0.8 C=CCCC(=O)N(C)CC 527a_100000225621_100000749702 [0,1,1,0,0,0|1,0,0]=3 568 B9R0.8 C=CCNC(=O)N(C)CC 273464a_100020586998_100000225621 [0,1,1,0,0,0|2,0,0]=4 569 B9R0.8 CC=CCC(=O)N(C)CC 11a_100000225621_100121576822 [0,1,1,0,0,0|1,0,1]=4 570 B9R0.8 CC=CCC(=O)N(C)CC 1626a_100000225621_100121576822 [0,1,1,0,0,0|1,0,1]=4 571 B9R0.8 CC=CCC(=O)N(C)CC 240690a_100000225621_100121576822 [0,1,1,0,0,0|1,0,1]=4 572 B9R0.8 CC=CCC(=O)N(C)CC 527a_100000225621_100121576822 [0,1,1,0,0,0|1,0,1]=4 573 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,1,1,0,0,0|1,0,1]=4 574 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,1,1,0,0,0|1,0,1]=4 575 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,1,1,0,0,0|1,0,1]=4 576 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,1,1,0,0,0|1,0,1]=4 577 B9R0.8 CCN(C)C(=O)CCC#N 11a_100000225621_100011934036 [0,1,1,0,0,0|1,0,1]=4 578 B9R0.8 CCN(C)C(=O)CCC#N 1626a_100000225621_100011934036 [0,1,1,0,0,0|1,0,1]=4 579 B9R0.8 CCN(C)C(=O)CCC#N 240690a_100000225621_100011934036 [0,1,1,0,0,0|1,0,1]=4 580 B9R0.8 CCN(C)C(=O)CCC#N 527a_100000225621_100011934036 [0,1,1,0,0,0|1,0,1]=4 581 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [0,1,1,0,0,0|2,0,0]=4 582 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [0,1,1,0,0,0|2,0,0]=4 583 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [0,1,1,0,0,0|2,0,0]=4 584 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [0,1,1,0,0,0|2,0,0]=4 585 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,1,1,0,0,0|2,0,0]=4 586 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,1,1,0,0,0|2,0,0]=4 587 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,1,1,0,0,0|2,0,0]=4 588 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,1,1,0,0,0|2,0,0]=4 589 B9R0.18 C#CCCC(=O)NCCC 11a_100020643023_100000692101 [0,1,1,0,0,0|1,0,1]=4 590 B9R0.18 C#CCCC(=O)NCCC 1626a_100020643023_100000692101 [0,1,1,0,0,0|1,0,1]=4 591 B9R0.18 C#CCCC(=O)NCCC 240690a_100020643023_100000692101 [0,1,1,0,0,0|1,0,1]=4 592 B9R0.18 C#CCCC(=O)NCCC 527a_100020643023_100000692101 [0,1,1,0,0,0|1,0,1]=4 593 B9R0.18 C#CCCC(=O)NCCF 11a_100000724931_100000692101 [0,1,1,0,0,0|1,0,1]=4 594 B9R0.18 C#CCCC(=O)NCCF 1626a_100000724931_100000692101 [0,1,1,0,0,0|1,0,1]=4 595 B9R0.18 C#CCCC(=O)NCCF 240690a_100000724931_100000692101 [0,1,1,0,0,0|1,0,1]=4 596 B9R0.18 C#CCCC(=O)NCCF 527a_100000724931_100000692101 [0,1,1,0,0,0|1,0,1]=4 597 B9R0.18 C#CCCC(=O)NCCO 240690a_100000210304_100000692101 [0,1,1,0,0,0|1,0,1]=4 598 B9R0.18 C#CCCC(=O)NCCO 527a_100000210304_100000692101 [0,1,1,0,0,0|1,0,1]=4 599 B9R0.18 C#CCCC(=O)NNCC 22a_100000756455_100000692101 [0,1,1,0,0,0|1,0,1]=4 600 B9R0.18 C#CCNC(=O)CCC=C 11a_100000212058_100000749702 [0,1,1,0,0,0|1,0,1]=4 601 B9R0.18 C#CCNC(=O)CCC=C 1626a_100000212058_100000749702 [0,1,1,0,0,0|1,0,1]=4 602 B9R0.18 C#CCNC(=O)CCC=C 240690a_100000212058_100000749702 [0,1,1,0,0,0|1,0,1]=4 603 B9R0.18 C#CCNC(=O)CCC=C 527a_100000212058_100000749702 [0,1,1,0,0,0|1,0,1]=4 604 B9R0.18 C=CCCC(=NNCC)C 4a_100000756455_100000762624 [0,1,1,0,0,0|2,0,0]=4 605 B9R0.18 C=CCCC(=O)C#CCC 1458a_100011827653_100000754431 [0,1,1,0,0,0|2,0,0]=4 606 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [0,1,1,0,0,0|2,0,0]=4 607 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,1,1,0,0,0|2,0,0]=4 608 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,1,1,0,0,0|2,0,0]=4 609 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [0,1,1,0,0,0|2,0,0]=4 610 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [0,1,1,0,0,0|2,0,0]=4 611 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [0,1,1,0,0,0|2,0,0]=4 612 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [0,1,1,0,0,0|2,0,0]=4 613 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [0,1,1,0,0,0|2,0,0]=4 614 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [0,1,1,0,0,0|2,0,0]=4 615 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [0,1,1,0,0,0|2,0,0]=4 616 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [0,1,1,0,0,0|2,0,0]=4 617 B9R0.18 C=CCCC(=O)NCC#N 1626a_100000734998_100000749702 [0,1,1,0,0,0|1,0,1]=4 618 B9R0.18 C=CCCC(=O)NCC#N 527a_100000734998_100000749702 [0,1,1,0,0,0|1,0,1]=4 619 B9R0.18 C=CCCC(=O)NCC=C 1626a_100020586998_100000749702 [0,1,1,0,0,0|1,0,1]=4 620 B9R0.18 C=CCCC(=O)NCC=C 240690a_100020586998_100000749702 [0,1,1,0,0,0|1,0,1]=4 621 B9R0.18 C=CCCC(=O)NCC=C 527a_100020586998_100000749702 [0,1,1,0,0,0|1,0,1]=4 622 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [0,1,1,0,0,0|1,0,0]=3 623 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [0,1,1,0,0,0|1,0,0]=3 624 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [0,1,1,0,0,0|1,0,0]=3 625 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [0,1,1,0,0,0|1,0,0]=3 626 B9R0.18 C=CCCC(=O)NCCF 11a_100000724931_100000749702 [0,1,1,0,0,0|1,0,0]=3 627 B9R0.18 C=CCCC(=O)NCCF 1626a_100000724931_100000749702 [0,1,1,0,0,0|1,0,0]=3 628 B9R0.18 C=CCCC(=O)NCCF 240690a_100000724931_100000749702 [0,1,1,0,0,0|1,0,0]=3 629 B9R0.18 C=CCCC(=O)NCCF 527a_100000724931_100000749702 [0,1,1,0,0,0|1,0,0]=3 630 B9R0.18 C=CCCC(=O)NCCO 240690a_100000210304_100000749702 [0,1,1,0,0,0|1,0,0]=3 631 B9R0.18 C=CCCC(=O)NCCO 527a_100000210304_100000749702 [0,1,1,0,0,0|1,0,0]=3 632 B9R0.18 C=CCCC(=O)NNCC 22a_100000756455_100000749702 [0,1,1,0,0,0|1,0,0]=3 633 B9R0.18 C=CCNC(=O)CNCC 2230a_100015525214_100000183597 [0,1,1,0,0,0|2,0,0]=4 634 B9R0.18 C=CCNC(=O)NCCC 2708a_100020643023_100020586998 [0,1,1,0,0,0|2,0,0]=4 635 B9R0.18 C=CCNC(=O)NCCC 273464a_100020586998_100020643023 [0,1,1,0,0,0|2,0,0]=4 636 B9R0.18 C=CCNC(=O)NCCC 273464a_100020643023_100020586998 [0,1,1,0,0,0|2,0,0]=4 637 B9R0.18 C=CCNC(=O)NCCC 512a_100020586998_100020643023 [0,1,1,0,0,0|2,0,0]=4 638 B9R0.18 C=CCNC(=O)NCCC 512a_100020643023_100020586998 [0,1,1,0,0,0|2,0,0]=4 639 B9R0.18 C=CCNC(=O)NCCF 273464a_100000724931_100020586998 [0,1,1,0,0,0|2,0,0]=4 640 B9R0.18 C=CCNC(=O)NCCF 273464a_100020586998_100000724931 [0,1,1,0,0,0|2,0,0]=4 641 B9R0.18 C=CCNC(=O)NCCF 512a_100020586998_100000724931 [0,1,1,0,0,0|2,0,0]=4 642 B9R0.18 C=CCNC(=O)NCCO 273464a_100000210304_100020586998 [0,1,1,0,0,0|2,0,0]=4 643 B9R0.18 C=CCNC(=O)NCCO 273464a_100020586998_100000210304 [0,1,1,0,0,0|2,0,0]=4 644 B9R0.18 C=CCNC(=O)NCCO 512a_100020586998_100000210304 [0,1,1,0,0,0|2,0,0]=4 645 B9R0.18 C=CCNC(=O)NNCC 273464a_100020586998_100000756455 [0,1,1,0,0,0|2,0,0]=4 646 B9R0.18 C=CCNC(=O)NNCC 512a_100000756455_100020586998 [0,1,1,0,0,0|2,0,0]=4 647 B9R0.18 C=CCNC(=O)NNCC 512a_100020586998_100000756455 [0,1,1,0,0,0|2,0,0]=4 648 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,1,1,0,0,0|2,0,0]=4 649 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [0,1,1,0,0,0|1,0,1]=4 650 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [0,1,1,0,0,0|1,0,1]=4 651 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [0,1,1,0,0,0|1,0,1]=4 652 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [0,1,1,0,0,0|1,0,1]=4 653 B9R0.18 CC=CCC(=O)NCCF 11a_100000724931_100121576822 [0,1,1,0,0,0|1,0,1]=4 654 B9R0.18 CC=CCC(=O)NCCF 1626a_100000724931_100121576822 [0,1,1,0,0,0|1,0,1]=4 655 B9R0.18 CC=CCC(=O)NCCF 240690a_100000724931_100121576822 [0,1,1,0,0,0|1,0,1]=4 656 B9R0.18 CC=CCC(=O)NCCF 527a_100000724931_100121576822 [0,1,1,0,0,0|1,0,1]=4 657 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [0,1,1,0,0,0|1,0,1]=4 658 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [0,1,1,0,0,0|1,0,1]=4 659 B9R0.18 CC=CCC(=O)NNCC 22a_100000756455_100121576822 [0,1,1,0,0,0|1,0,1]=4 660 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [0,1,1,0,0,0|1,0,1]=4 661 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [0,1,1,0,0,0|1,0,1]=4 662 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [0,1,1,0,0,0|1,0,1]=4 663 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [0,1,1,0,0,0|1,0,1]=4 664 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [0,1,1,0,0,0|1,0,1]=4 665 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [0,1,1,0,0,0|1,0,1]=4 666 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [0,1,1,0,0,0|1,0,1]=4 667 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [0,1,1,0,0,0|1,0,1]=4 668 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [0,1,1,0,0,0|1,0,1]=4 669 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [0,1,1,0,0,0|1,0,1]=4 670 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [0,1,1,0,0,0|1,0,1]=4 671 B9R0.18 CCCNC(=O)CCC#N 11a_100020643023_100011934036 [0,1,1,0,0,0|1,0,1]=4 672 B9R0.18 CCCNC(=O)CCC#N 1626a_100020643023_100011934036 [0,1,1,0,0,0|1,0,1]=4 673 B9R0.18 CCCNC(=O)CCC#N 240690a_100020643023_100011934036 [0,1,1,0,0,0|1,0,1]=4 674 B9R0.18 CCCNC(=O)CCC#N 527a_100020643023_100011934036 [0,1,1,0,0,0|1,0,1]=4 675 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [0,1,1,0,0,0|2,0,0]=4 676 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [0,1,1,0,0,0|2,0,0]=4 677 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [0,1,1,0,0,0|2,0,0]=4 678 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [0,1,1,0,0,0|2,0,0]=4 679 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [0,1,1,0,0,0|2,0,0]=4 680 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [0,1,1,0,0,0|2,0,0]=4 681 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [0,1,1,0,0,0|2,0,0]=4 682 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [0,1,1,0,0,0|2,0,0]=4 683 B9R0.18 CCNNC(=O)CCC#N 22a_100000756455_100011934036 [0,1,1,0,0,0|1,0,1]=4 684 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [0,1,1,0,0,0|2,0,0]=4 685 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [0,1,1,0,0,0|2,0,0]=4 686 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [0,1,1,0,0,0|2,0,0]=4 687 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [0,1,1,0,0,0|2,0,0]=4 688 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [0,1,1,0,0,0|2,0,0]=4 689 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [0,1,1,0,0,0|2,0,0]=4 690 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [0,1,1,0,0,0|2,0,0]=4 691 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [0,1,1,0,0,0|2,0,0]=4 692 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [0,1,1,0,0,0|2,0,0]=4 693 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [0,1,1,0,0,0|2,0,0]=4 694 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [0,1,1,0,0,0|2,0,0]=4 695 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [0,1,1,0,0,0|2,0,0]=4 696 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [0,1,1,0,0,0|2,0,0]=4 697 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [0,1,1,0,0,0|2,0,0]=4 698 B9R0.18 N#CCCC(=O)NCCF 11a_100000724931_100011934036 [0,1,1,0,0,0|1,0,1]=4 699 B9R0.18 N#CCCC(=O)NCCF 1626a_100000724931_100011934036 [0,1,1,0,0,0|1,0,1]=4 700 B9R0.18 N#CCCC(=O)NCCF 240690a_100000724931_100011934036 [0,1,1,0,0,0|1,0,1]=4 701 B9R0.18 N#CCCC(=O)NCCF 527a_100000724931_100011934036 [0,1,1,0,0,0|1,0,1]=4 702 B9R0.18 N#CCCC(=O)NCCO 240690a_100000210304_100011934036 [0,1,1,0,0,0|1,0,1]=4 703 B9R0.18 N#CCCC(=O)NCCO 527a_100000210304_100011934036 [0,1,1,0,0,0|1,0,1]=4 704 B9R0.34 C=CC(=O)CC(=O)NCC 1458a_100000185746_100000183381 [0,1,1,0,0,0|1,0,1]=4 705 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,1,1,0,0,0|2,0,0]=4 706 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [0,1,1,0,0,0|1,0,0]=3 707 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [0,1,1,0,0,0|1,0,0]=3 708 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [0,1,1,0,0,0|1,0,0]=3 709 B9R0.34 C=CC(C)CC(=O)NNC 22a_100016993582_100011934298 [0,1,1,0,0,0|2,0,0]=4 710 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,1,1,0,0,0|1,0,1]=4 711 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,1,1,0,0,0|1,0,1]=4 712 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,1,1,0,0,0|1,0,1]=4 713 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,1,1,0,0,0|1,0,1]=4 714 B9R0.35 C=CCC(=O)C(=O)NCC 1458a_200011297158_100000210623 [0,1,1,0,0,0|1,0,1]=4 715 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [0,1,1,0,0,0|2,0,0]=4 716 B9R0.35 C=CCC(C)C(=O)NCC 11a_100015525214_100011216819 [0,1,1,0,0,0|1,0,0]=3 717 B9R0.35 C=CCC(C)C(=O)NCC 240690a_100015525214_100011216819 [0,1,1,0,0,0|1,0,0]=3 718 B9R0.35 C=CCC(C)C(=O)NCC 527a_100015525214_100011216819 [0,1,1,0,0,0|1,0,0]=3 719 B9R0.35 C=CCC(C)C(=O)NNC 22a_100016993582_100011216819 [0,1,1,0,0,0|2,0,0]=4 720 B9R0.35 C=CCN(C)C(=O)NCC 2708a_100015525214_100000225617 [0,1,1,0,0,0|2,0,0]=4 721 B9R0.35 C=CCN(C)C(=O)NCC 273464a_100015525214_100000225617 [0,1,1,0,0,0|2,0,0]=4 722 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,1,1,0,0,0|1,0,1]=4 723 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,1,1,0,0,0|1,0,1]=4 724 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,1,1,0,0,0|1,0,1]=4 725 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,1,1,0,0,0|1,0,1]=4 726 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,1,1,0,0,0|2,0,0]=4 727 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,1,1,0,0,0|2,0,0]=4 728 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,1,1,0,0,0|2,0,0]=4 729 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,1,1,0,0,0|2,0,0]=4 730 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,1,1,0,0,0|2,0,0]=4 731 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,1,1,0,0,0|2,0,0]=4 732 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,1,1,0,0,0|2,0,0]=4 733 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,1,1,0,0,0|2,0,0]=4 734 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,1,1,0,0,0|1,0,0]=3 735 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,1,1,0,0,0|1,0,0]=3 736 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,1,1,0,0,0|1,0,0]=3 737 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [0,1,1,0,0,0|2,0,0]=4 738 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,1,1,0,0,0|2,0,0]=4 739 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,1,1,0,0,0|2,0,0]=4 740 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,1,1,0,0,0|2,0,0]=4 741 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,1,1,0,0,0|2,0,0]=4 742 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,1,1,0,0,0|2,0,0]=4 743 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,1,1,0,0,0|2,0,0]=4 744 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,1,1,0,0,0|1,0,0]=3 745 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,1,1,0,0,0|2,0,0]=4 746 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,1,1,0,0,0|2,0,0]=4 747 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,1,1,0,0,0|2,0,0]=4 748 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,1,1,0,0,0|2,0,0]=4 749 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,1,1,0,0,0|2,0,0]=4 750 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,1,1,0,0,0|2,0,0]=4 751 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,1,1,0,0,0|2,0,0]=4 752 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,1,1,0,0,0|2,0,0]=4 753 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,1,1,0,0,0|2,0,0]=4 754 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,1,1,0,0,0|1,0,1]=4 755 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,1,1,0,0,0|1,0,1]=4 756 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,1,1,0,0,0|1,0,1]=4 757 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,1,1,0,0,0|0,0,0]=2 758 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,1,1,0,0,0|0,0,0]=2 759 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,1,1,0,0,0|0,0,0]=2 760 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,1,1,0,0,0|0,0,0]=2 761 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,1,1,0,0,0|1,0,1]=4 762 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,1,1,0,0,0|1,0,1]=4 763 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,1,1,0,0,0|1,0,1]=4 764 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,1,1,0,0,0|2,0,0]=4 765 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,1,1,0,0,0|2,0,0]=4 766 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,1,1,0,0,0|2,0,0]=4 767 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,1,1,0,0,0|2,0,0]=4 768 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,1,1,0,0,0|2,0,0]=4 769 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 11a_100015525214_200000064761 [0,1,1,0,0,0|1,0,0]=3 770 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 240690a_100015525214_200000064761 [0,1,1,0,0,0|1,0,0]=3 771 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,1,1,0,0,0|2,0,0]=4 772 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,1,1,0,0,0|2,0,0]=4 773 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,1,1,0,0,0|1,0,0]=3 774 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,1,1,0,0,0|1,0,0]=3 775 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,1,1,0,0,0|1,0,0]=3 776 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,1,1,0,0,0|1,0,0]=3 777 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,1,1,0,0,0|1,0,0]=3 778 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,1,1,0,0,0|1,0,0]=3 779 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,1,1,0,0,0|1,0,0]=3 780 B9R0.48 CCNC(=O)CNC(=O)N 240690a_100015525214_100000184981 [0,1,1,0,0,0|1,0,0]=3 781 B9R0.48 CCNC(=O)CNC(=O)N 527a_100015525214_100000184981 [0,1,1,0,0,0|1,0,0]=3 782 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,1,1,0,0,0|1,0,0]=3 783 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,1,1,0,0,0|1,0,0]=3 784 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,1,1,0,0,0|1,0,0]=3 785 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,1,1,0,0,0|1,0,0]=3 786 B9R0.48 CCNC(=O)CSC(=O)N 240690a_100015525214_200015941356 [0,1,1,0,0,0|1,0,0]=3 787 B9R0.48 CCNC(=O)NCC(=O)N 2708a_100015525214_100000711301 [0,1,1,0,0,0|1,0,0]=3 788 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100000711301_100015525214 [0,1,1,0,0,0|1,0,0]=3 789 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100015525214_100000711301 [0,1,1,0,0,0|1,0,0]=3 790 B9R0.48 CCNC(=O)NCC(=O)N 512a_100015525214_100000711301 [0,1,1,0,0,0|1,0,0]=3 791 B9R0.48 CCNC(=O)NNC(=O)C 273464a_100015525214_100000189765 [0,1,1,0,0,0|2,0,0]=4 792 B9R0.48 CCNC(=O)NNC(=O)C 512a_100000189765_100015525214 [0,1,1,0,0,0|2,0,0]=4 793 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,1,1,0,0,0|1,0,0]=3 794 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,1,1,0,0,0|1,0,0]=3 795 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,1,1,0,0,0|2,0,0]=4 796 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,1,1,0,0,0|2,0,0]=4 797 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,1,1,0,0,0|2,0,0]=4 798 B9R0.48 CNNC(=O)CCC(=O)N 22a_100016993582_100011215257 [0,1,1,0,0,0|1,0,0]=3 799 B9R0.48 CNNC(=O)CNC(=O)C 22a_100016993582_100000194580 [0,1,1,0,0,0|2,0,0]=4 800 B9R0.48 CNNC(=O)CNC(=O)N 22a_100016993582_100000184981 [0,1,1,0,0,0|2,0,0]=4 801 B9R0.48 CNNC(=O)COC(=O)C 22a_100016993582_100000183556 [0,1,1,0,0,0|2,0,0]=4 802 B9R0.48 CNNC(=O)NCC(=O)N 273464a_100000711301_100016993582 [0,1,1,0,0,0|2,0,0]=4 803 B9R0.48 CNNC(=O)NCC(=O)N 512a_100016993582_100000711301 [0,1,1,0,0,0|2,0,0]=4 804 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,1,1,0,0,0|2,0,0]=4 805 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,1,1,0,0,0|2,0,0]=4 806 B9R0.29 CCC(=O)C(CC)C(=O)N 1458a_100000210414_100000750255 [0,1,1,0,0,0|2,0,0]=4 807 B9R0.29 CCC(=O)N(CC)C(C)C 11a_100000223864_100000210414 [0,1,1,0,0,0|1,0,1]=4 808 B9R0.29 CCC(=O)N(CC)C(C)C 1626a_100000223864_100000210414 [0,1,1,0,0,0|1,0,1]=4 809 B9R0.29 CCC(=O)N(CC)C(C)C 240690a_100000223864_100000210414 [0,1,1,0,0,0|1,0,1]=4 810 B9R0.29 CCC(=O)N(CC)C(C)C 527a_100000223864_100000210414 [0,1,1,0,0,0|1,0,1]=4 811 B9R0.29 CCC(C(=O)C)C(=O)OC 1458a_100000070787_100000235869 [0,1,1,0,0,0|1,0,0]=3 812 B9R0.29 CCC(C(=O)N)C(=O)CO 1458a_100000210174_100000750255 [0,1,1,0,0,0|2,0,0]=4 813 B9R0.29 CCC(C)N(CC)C(=O)C 11a_100000732650_100015343762 [0,1,1,0,0,0|1,0,1]=4 814 B9R0.29 CCC(C)N(CC)C(=O)C 1626a_100000732650_100015343762 [0,1,1,0,0,0|1,0,1]=4 815 B9R0.29 CCC(C)N(CC)C(=O)C 240690a_100000732650_100015343762 [0,1,1,0,0,0|1,0,1]=4 816 B9R0.29 CCC(C)N(CC)C(=O)C 527a_100000732650_100103153847 [0,1,1,0,0,0|1,0,1]=4 817 B9R0.29 CCN(C(=O)C)C(C)CO 240690a_100000731049_100015343762 [0,1,1,0,0,0|0,0,2]=4 818 B9R0.29 CCN(C(=O)C)C(C)CO 527a_100000731049_100103153847 [0,1,1,0,0,0|0,0,2]=4 819 B9R0.29 CCN(C(=O)CO)C(C)C 240690a_100000223864_100000210174 [0,1,1,0,0,0|1,0,1]=4 820 B9R0.29 CCN(C(=O)CO)C(C)C 527a_100000223864_100000210174 [0,1,1,0,0,0|1,0,1]=4 821 B9R0.29 CCN(C(=O)NC)C(C)C 2708a_100102657272_100000223864 [0,1,1,0,0,0|1,0,1]=4 822 B9R0.29 CCN(C(=O)NC)C(C)C 273464a_100102657272_100000223864 [0,1,1,0,0,0|1,0,1]=4 823 B9R0.29 CNC(=O)C(NC)C(=O)C 7a_106832991635_100000210987 [0,1,1,0,0,0|2,0,0]=4 824 B9R0.29 CNC(=O)C(SC)C(=O)C 62a_100000210987_200000210301 [0,1,1,0,0,0|2,0,0]=4 825 B9R0.29 CNC(=O)C(SC)C(=O)C 62a_200000210301_100000210987 [0,1,1,0,0,0|2,0,0]=4 826 B9R0.29 CNC(=O)C(S[13CH3])C(=O)C 62a_100000210987_200025704644 [0,1,1,0,0,0|2,0,0]=4 827 B9R0.29 CNC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210987 [0,1,1,0,0,0|2,0,0]=4 828 B9R0.29 COC(=O)C(CO)C(=O)C 1458a_100000070787_100012276630 [0,1,1,0,0,0|2,0,0]=4 829 B9R0.29 COC(=O)C(SC)C(=O)C 62a_100011215331_200000210301 [0,1,1,0,0,0|2,0,0]=4 830 B9R0.29 COC(=O)C(SC)C(=O)C 62a_200000210301_100011215331 [0,1,1,0,0,0|2,0,0]=4 831 B9R0.29 COC(=O)C(S[13CH3])C(=O)C 62a_100011215331_200025704644 [0,1,1,0,0,0|2,0,0]=4 832 B9R0.29 COC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100011215331 [0,1,1,0,0,0|2,0,0]=4 833 B9R0.33 CC(=O)C(SCF)C(=O)C 62a_100000210371_100015361967 [0,1,1,0,0,0|2,0,0]=4 834 B9R0.33 CC(=O)C(SCF)C(=O)C 62a_100015361967_100000210371 [0,1,1,0,0,0|2,0,0]=4 835 B9R0.33 CC(=O)N(CCO)C(C)C 240690a_100000224655_100015343762 [0,1,1,0,0,0|1,0,1]=4 836 B9R0.33 CCCN(C(=O)C)C(C)C 11a_106256033942_100015343762 [0,1,1,0,0,0|1,0,1]=4 837 B9R0.33 CCCN(C(=O)C)C(C)C 1626a_106256033942_100015343762 [0,1,1,0,0,0|1,0,1]=4 838 B9R0.33 CCCN(C(=O)C)C(C)C 240690a_106256033942_100015343762 [0,1,1,0,0,0|1,0,1]=4 839 B9R0.33 CCCN(C(=O)C)C(C)C 527a_106256033942_100103153847 [0,1,1,0,0,0|1,0,1]=4 840 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210202_100000210371 [0,1,1,0,0,0|1,0,0]=3 841 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210371_100000210202 [0,1,1,0,0,0|1,0,0]=3 842 B9R0.54 CC(=O)C(C(=O)N)C(C)C 1458a_100000070787_100000230017 [0,1,1,0,0,0|2,0,0]=4 843 B9R0.54 CC(=O)N(C(C)C)C(C)C 11a_100000086832_100015343762 [0,1,1,0,0,0|1,0,1]=4 844 B9R0.54 CC(=O)N(C(C)C)C(C)C 1626a_100000086832_100015343762 [0,1,1,0,0,0|1,0,1]=4 845 B9R0.72 CCN(C(=O)C)C(C)(C)C 11a_100011200764_100015343762 [0,1,1,0,0,0|1,0,1]=4 846 B9R0.72 CCN(C(=O)C)C(C)(C)C 1626a_100011200764_100015343762 [0,1,1,0,0,0|1,0,1]=4 847 B9R0.72 CCN(C(=O)C)C(C)(C)C 240690a_100011200764_100015343762 [0,1,1,0,0,0|1,0,1]=4 848 B9R0.12 C#CCN(CC)C(=O)CC 11a_100000744766_100000210414 [0,1,1,0,0,0|1,0,1]=4 849 B9R0.12 C#CCN(CC)C(=O)CC 1626a_100000744766_100000210414 [0,1,1,0,0,0|1,0,1]=4 850 B9R0.12 C#CCN(CC)C(=O)CC 240690a_100000744766_100000210414 [0,1,1,0,0,0|1,0,1]=4 851 B9R0.12 C#CCN(CC)C(=O)CC 527a_100000744766_100000210414 [0,1,1,0,0,0|1,0,1]=4 852 B9R0.12 CCC(=O)N(CC)CCO 240690a_100000210973_100000210414 [0,1,1,0,0,0|0,0,2]=4 853 B9R0.12 CCC(=O)N(CC)CCO 527a_100000210973_100000210414 [0,1,1,0,0,0|0,0,2]=4 854 B9R0.12 CCC(C)N(CC)CC=O 2230a_100000732650_200015260668 [0,1,1,0,0,0|1,0,1]=4 855 B9R0.12 CCC(C)N(CC)CC=O 269982a_100000732650_200015260668 [0,1,1,0,0,0|1,0,1]=4 856 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [0,1,1,0,0,0|1,0,1]=4 857 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [0,1,1,0,0,0|1,0,1]=4 858 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [0,1,1,0,0,0|1,0,1]=4 859 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [0,1,1,0,0,0|1,0,1]=4 860 B9R0.12 CCOC(C=O)C(=O)OC 34a_100121572206_100000046368 [0,1,1,0,0,0|2,0,0]=4 861 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000046368_100000210202 [0,1,1,0,0,0|2,0,0]=4 862 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000210202_100000046368 [0,1,1,0,0,0|2,0,0]=4 863 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [0,1,1,0,0,0|1,0,1]=4 864 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [0,1,1,0,0,0|1,0,1]=4 865 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [0,1,1,0,0,0|1,0,1]=4 866 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [0,1,1,0,0,0|1,0,1]=4 867 B9R0.37 CCN(CC)C(=O)CCO 240690a_100000724800_100011216618 [0,1,1,0,0,0|1,0,1]=4 868 B9R0.37 CCN(CC)C(=O)CNC 2230a_100000174916_200000210301 [0,1,1,0,0,0|1,0,1]=4 869 B9R0.37 CCN(CC)C(=O)CNC 2230a_106832991635_100000211521 [0,1,1,0,0,0|1,0,1]=4 870 B9R0.37 CCN(CC)C(=O)CNC 34a_100102657272_100000211521 [0,1,1,0,0,0|1,0,1]=4 871 B9R0.37 CCN(CC)C(=O)CNC 7a_106832991635_100000211521 [0,1,1,0,0,0|1,0,1]=4 872 B9R0.37 CCN(CC)C(=O)CN[13CH3] 2230a_100000174916_200025704644 [0,1,1,0,0,0|1,0,1]=4 873 B9R0.37 CCN(CC)C(=O)COC 11a_100000724800_100000210968 [0,1,1,0,0,0|1,0,1]=4 874 B9R0.37 CCN(CC)C(=O)COC 1626a_100000724800_100000210968 [0,1,1,0,0,0|1,0,1]=4 875 B9R0.37 CCN(CC)C(=O)COC 240690a_100000724800_100000210968 [0,1,1,0,0,0|1,0,1]=4 876 B9R0.37 CCN(CC)C(=O)COC 34a_100138415774_100000211521 [0,1,1,0,0,0|1,0,1]=4 877 B9R0.37 CCN(CC)C(=O)COC 527a_100000724800_100000210968 [0,1,1,0,0,0|1,0,1]=4 878 B9R0.37 CCN(CC)C(=O)COC 7a_200000238847_200000210301 [0,1,1,0,0,0|1,0,1]=4 879 B9R0.37 CCN(CC)C(=O)CO[13CH3] 7a_200000238847_200025704644 [0,1,1,0,0,0|1,0,1]=4 880 B9R0.37 CCN(CC)C(=O)CSC 11a_100000724800_100000184570 [0,1,1,0,0,0|1,0,1]=4 881 B9R0.37 CCN(CC)C(=O)CSC 1626a_100000724800_100000184570 [0,1,1,0,0,0|1,0,1]=4 882 B9R0.37 CCN(CC)C(=O)CSC 240690a_100000724800_100000184570 [0,1,1,0,0,0|1,0,1]=4 883 B9R0.37 CCN(CC)C(=O)CSC 527a_100000724800_100000184570 [0,1,1,0,0,0|1,0,1]=4 884 B9R0.37 CCN(CC)C(=O)CSC 62a_100000211521_200000210301 [0,1,1,0,0,0|1,0,1]=4 885 B9R0.37 CCN(CC)C(=O)CSC 62a_200000210301_100000211521 [0,1,1,0,0,0|1,0,1]=4 886 B9R0.37 CCN(CC)C(=O)CS[13CH3] 62a_100000211521_200025704644 [0,1,1,0,0,0|1,0,1]=4 887 B9R0.37 CCN(CC)C(=O)CS[13CH3] 62a_200025704644_100000211521 [0,1,1,0,0,0|1,0,1]=4 888 B9R0.37 CCNC(=O)N(CC)CC 2708a_100015525214_100000724800 [0,1,1,0,0,0|1,0,1]=4 889 B9R0.37 CCNC(=O)N(CC)CC 273464a_100015525214_100000724800 [0,1,1,0,0,0|1,0,1]=4 890 B9R0.37 CCOC(=O)C(C=O)SC 62a_100000053139_200000210301 [0,1,1,0,0,0|2,0,0]=4 891 B9R0.37 CCOC(=O)C(C=O)SC 62a_200000210301_100000053139 [0,1,1,0,0,0|2,0,0]=4 892 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_100000053139_200025704644 [0,1,1,0,0,0|2,0,0]=4 893 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_200025704644_100000053139 [0,1,1,0,0,0|2,0,0]=4 894 B9R0.41 CCN(CC)C(=O)C(C)C 11a_100000724800_100000210198 [0,1,1,0,0,0|1,0,1]=4 895 B9R0.41 CCN(CC)C(=O)C(C)C 1626a_100000724800_100000210198 [0,1,1,0,0,0|1,0,1]=4 896 B9R0.41 CCN(CC)C(=O)C(C)C 240690a_100000724800_100000210198 [0,1,1,0,0,0|1,0,1]=4 897 B9R0.41 CCN(CC)C(=O)C(C)C 527a_100000724800_100000210198 [0,1,1,0,0,0|1,0,1]=4 898 B9R0.41 CCN(CC)C(=O)C(C)F 11a_100000724800_100000062450 [0,1,1,0,0,0|1,0,1]=4 899 B9R0.41 CCN(CC)C(=O)C(C)F 1626a_100000724800_100000062450 [0,1,1,0,0,0|1,0,1]=4 900 B9R0.41 CCN(CC)C(=O)C(C)F 240690a_100000724800_100000062450 [0,1,1,0,0,0|1,0,1]=4 901 B9R0.41 CCN(CC)C(=O)C(C)F 527a_100000724800_100000062450 [0,1,1,0,0,0|1,0,1]=4 902 B9R0.41 CCN(CC)C(=O)[C@@H](C)O 240690a_100000724800_100000717761 [0,1,1,0,0,0|1,0,1]=4 903 B9R0.41 CCN(CC)C(=O)[C@H](C)O 1626a_100000724800_217856618621 [0,1,1,0,0,0|1,0,1]=4 904 B9R0.41 CCN(CC)C(=O)[C@H](C)O 240690a_100000724800_217856618621 [0,1,1,0,0,0|1,0,1]=4 905 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [1,1,0,0,0,0|1,0,1]=4 906 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [1,1,0,0,0,0|1,0,1]=4 907 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [1,1,0,0,0,0|1,0,1]=4 908 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [1,1,0,0,0,0|1,0,1]=4 909 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [1,1,0,0,0,0|1,0,1]=4 910 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [1,1,0,0,0,0|1,0,0]=3 911 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [1,1,0,0,0,0|0,0,1]=3 912 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [1,1,0,0,0,0|0,0,1]=3 913 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [1,1,0,0,0,0|1,0,0]=3 914 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [1,1,0,0,0,0|0,0,1]=3 915 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [1,1,0,0,0,0|0,0,1]=3 916 B11R1.156 CN(C)C1C(=O)CCCC1=O 2230a_100102631434_100009814513 [0,1,0,0,0,1|2,0,0]=4 917 B11R1.156 CN(C)C1C(=O)CCCC1=O 269982a_100102631434_100009814513 [0,1,0,0,0,1|2,0,0]=4 918 B11R1.605 CCNC1C(=O)CCCC1=O 2230a_100015525214_100009814513 [0,1,0,0,0,1|1,0,0]=3 919 B11R1.605 CCSC1C(=O)CCCC1=O 62a_100000210202_100009814513 [0,1,0,0,0,1|1,0,0]=3 920 B11R1.605 CCSC1C(=O)CCCC1=O 62a_100009814513_100000210202 [0,1,0,0,0,1|1,0,0]=3 921 B11R1.605 O=C1CCCC(=O)C1SCF 62a_100009814513_100015361967 [0,1,0,0,0,1|2,0,0]=4 922 B11R1.605 O=C1CCCC(=O)C1SCF 62a_100015361967_100009814513 [0,1,0,0,0,1|2,0,0]=4 923 B11R1.465 C#CCSC1C(=O)CCC1=O 62a_100000038162_100009820769 [0,2,0,0,0,0|1,0,1]=4 924 B11R1.465 C=CCNC1C(=O)CCC1=O 2230a_100020586998_100009820769 [0,2,0,0,0,0|1,0,1]=4 925 B11R1.465 C=CCSC1C(=O)CCC1=O 62a_100000210623_100009820769 [0,2,0,0,0,0|1,0,1]=4 926 B11R1.465 C=CCSC1C(=O)CCC1=O 62a_100009820769_100000210623 [0,2,0,0,0,0|1,0,1]=4 927 B11R1.465 CCCOC1C(=O)COC1=O 34a_100000210258_100000032967 [0,2,0,0,0,0|2,0,0]=4 928 B11R1.465 CCCSC1C(=O)CCC1=O 62a_100000210303_100009820769 [0,2,0,0,0,0|1,0,0]=3 929 B11R1.465 CCCSC1C(=O)CCC1=O 62a_100009820769_100000210303 [0,2,0,0,0,0|1,0,0]=3 930 B11R1.465 CCCSC1C(=O)COC1=O 62a_100000210303_100000032967 [0,2,0,0,0,0|2,0,0]=4 931 B11R1.465 CNCCN1C(=O)CCC1=O 2230a_106832991635_100000736797 [0,2,0,0,0,0|0,0,0]=2 932 B11R1.465 CNCCN1C(=O)CCC1=O 34a_100102657272_100000736797 [0,2,0,0,0,0|0,0,0]=2 933 B11R1.465 CNCCN1C(=O)CCC1=O 7a_106832991635_100000736797 [0,2,0,0,0,0|0,0,0]=2 934 B11R1.465 COCCN1C(=O)CCC1=O 34a_100000230492_200000210301 [0,2,0,0,0,0|0,0,0]=2 935 B11R1.465 COCCN1C(=O)CCC1=O 34a_100138415774_100000736797 [0,2,0,0,0,0|0,0,0]=2 936 B11R1.465 COCSC1C(=O)CCC1=O 62a_100000766300_100009820769 [0,2,0,0,0,0|1,0,0]=3 937 B11R1.465 COCSC1C(=O)CCC1=O 62a_100009820769_100000766300 [0,2,0,0,0,0|1,0,0]=3 938 B11R1.465 COCSC1C(=O)COC1=O 62a_100000766300_100000032967 [0,2,0,0,0,0|2,0,0]=4 939 B11R1.465 CSCCN1C(=O)CCC1=O 62a_200000210301_100000736797 [0,2,0,0,0,0|0,0,0]=2 940 B11R1.465 CSCSC1C(=O)CCC1=O 62a_100009820769_100011218213 [0,2,0,0,0,0|1,0,0]=3 941 B11R1.465 CSCSC1C(=O)CCC1=O 62a_100011218213_100009820769 [0,2,0,0,0,0|1,0,0]=3 942 B11R1.465 CSCSC1C(=O)COC1=O 62a_100011218213_100000032967 [0,2,0,0,0,0|2,0,0]=4 943 B11R1.465 N#CCSC1C(=O)CCC1=O 62a_100009820769_100011215382 [0,2,0,0,0,0|1,0,1]=4 944 B11R1.465 N#CCSC1C(=O)CCC1=O 62a_100011215382_100009820769 [0,2,0,0,0,0|1,0,1]=4 945 B11R1.465 NCCOC1C(=O)COC1=O 34a_100000210304_100000032967 [0,2,0,0,0,0|2,0,0]=4 946 B11R1.465 O=C1CCC(=O)C1NCCO 2230a_100016997473_100009820769 [0,2,0,0,0,0|1,0,0]=3 947 B11R1.465 O=C1CCC(=O)C1SCCF 62a_100009820769_100011217306 [0,2,0,0,0,0|1,0,0]=3 948 B11R1.465 O=C1CCC(=O)C1SCCF 62a_100011217306_100009820769 [0,2,0,0,0,0|1,0,0]=3 949 B11R1.465 O=C1CCC(=O)C1SCCO 62a_100000211926_100009820769 [0,2,0,0,0,0|1,0,0]=3 950 B11R1.465 O=C1CCC(=O)C1SCCO 62a_100009820769_100000211926 [0,2,0,0,0,0|1,0,0]=3 951 B11R1.465 O=C1COC(=O)C1NCCF 34a_100000724931_100000032967 [0,2,0,0,0,0|2,0,0]=4 952 B11R1.465 O=C1COC(=O)C1NCCO 34a_100016990907_100000032967 [0,2,0,0,0,0|2,0,0]=4 953 B11R1.465 O=C1COC(=O)C1OCCBr 34a_100000211926_100000032967 [0,2,0,0,0,0|2,0,0]=4 954 B11R1.465 O=C1COC(=O)C1SCCF 62a_100011217306_100000032967 [0,2,0,0,0,0|2,0,0]=4 955 B11R1.465 O=C1COC(=O)C1SCCO 62a_100000211926_100000032967 [0,2,0,0,0,0|2,0,0]=4 956 B11R1.465 O=CCSC1C(=O)CCC1=O 62a_100009820769_200015260668 [0,2,0,0,0,0|1,0,1]=4 957 B11R1.465 O=CCSC1C(=O)CCC1=O 62a_200015260668_100009820769 [0,2,0,0,0,0|1,0,1]=4 958 B11R1.465 [13CH3]OCCN1C(=O)CCC1=O 34a_100000230492_200025704644 [0,2,0,0,0,0|0,0,0]=2 959 B11R1.465 [13CH3]SCCN1C(=O)CCC1=O 62a_200025704644_100000736797 [0,2,0,0,0,0|0,0,0]=2 960 B11R1.495 CC(=O)CN1C(=O)CCC1=O 1458a_100000186450_200000210301 [0,2,0,0,0,0|0,0,0]=2 961 B11R1.495 CC(=O)CN1C(=O)CNC1=O 1458a_100000181252_200000210301 [0,2,0,0,0,0|1,0,0]=3 962 B11R1.495 CC(=O)CN1C(=O)CSC1=O 1458a_100000186196_200000210301 [0,2,0,0,0,0|1,0,0]=3 963 B11R1.495 CC(=O)CN1C(=O)CSC1=S 1458a_100000182495_200000210301 [0,2,0,0,0,0|1,1,0]=4 964 B11R1.495 CC(C)NC1C(=O)CCC1=O 2230a_100138425928_100009820769 [0,2,0,0,0,0|1,0,0]=3 965 B11R1.495 CC(C)NC1C(=O)COC1=O 34a_100138425928_100000032967 [0,2,0,0,0,0|2,0,0]=4 966 B11R1.495 CC(C)OC1C(=O)COC1=O 34a_100000212225_100000032967 [0,2,0,0,0,0|2,0,0]=4 967 B11R1.495 CC(C)SC1C(=O)CCC1=O 62a_100000210206_100009820769 [0,2,0,0,0,0|1,0,0]=3 968 B11R1.495 CC(C)SC1C(=O)CCC1=O 62a_100009820769_100000210206 [0,2,0,0,0,0|1,0,0]=3 969 B11R1.495 CC(C)SC1C(=O)COC1=O 62a_100000210206_100000032967 [0,2,0,0,0,0|2,0,0]=4 970 B11R1.495 [13CH3]C(=O)CN1C(=O)CCC1=O 1458a_100000186450_200025704644 [0,2,0,0,0,0|0,0,0]=2 971 B11R1.495 [13CH3]C(=O)CN1C(=O)CNC1=O 1458a_100000181252_200025704644 [0,2,0,0,0,0|1,0,0]=3 972 B11R1.495 [13CH3]C(=O)CN1C(=O)CSC1=O 1458a_100000186196_200025704644 [0,2,0,0,0,0|1,0,0]=3 973 B11R1.495 [13CH3]C(=O)CN1C(=O)CSC1=S 1458a_100000182495_200025704644 [0,2,0,0,0,0|1,1,0]=4 974 B11R1.875 CCN(C)C1C(=O)CCC1=O 2230a_100000225621_100009820769 [0,2,0,0,0,0|1,0,0]=3 975 B11R1.875 CCN(C)C1C(=O)CCC1=O 269982a_100000225621_200134615298 [0,2,0,0,0,0|1,0,0]=3 976 B11R1.875 CCN(C)C1C(=O)COC1=O 269982a_100000225621_100000032967 [0,2,0,0,0,0|2,0,0]=4 977 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,0,1,1,0,0|2,0,0]=4 978 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,0,1,1,0,0|2,0,0]=4 979 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,0,1,1,0,0|2,0,0]=4 980 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,0,1,1,0,0|2,0,0]=4 981 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,0,1,1,0,0|2,0,0]=4 982 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,0,1,1,0,0|2,0,0]=4 983 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,1,1,0,0|2,0,0]=4 984 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,1,1,0,0|2,0,0]=4 985 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,1,1,0,0|2,0,0]=4 986 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,1,1,0,0|2,0,0]=4 987 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [0,0,1,1,0,0|1,0,1]=4 988 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [0,0,1,1,0,0|1,0,1]=4 989 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [0,0,1,1,0,0|1,0,1]=4 990 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,0,1,1,0,0|0,0,2]=4 991 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,0,1,1,0,0|0,0,2]=4 992 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,0,1,1,0,0|0,0,2]=4 993 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [0,0,1,1,0,0|2,0,0]=4 994 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [0,0,1,1,0,0|2,0,0]=4 995 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [0,0,1,1,0,0|2,0,0]=4 996 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [0,0,1,1,0,0|1,0,1]=4 997 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [0,0,1,1,0,0|1,0,1]=4 998 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [0,0,1,1,0,0|1,0,1]=4 999 B9R1.100 C=CCCC(=O)C1CC1 1458a_100000210395_100000754431 [0,0,1,1,0,0|2,0,0]=4 1000 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,0,1,1,0,0|1,0,1]=4 1001 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,0,1,1,0,0|1,0,1]=4 1002 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [0,0,1,1,0,0|1,0,1]=4 1003 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [0,0,1,1,0,0|1,0,1]=4 1004 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [0,0,1,1,0,0|1,0,1]=4 1005 B9R1.116 CCN(C(=O)C)C1CC1 11a_100000738653_100015343762 [0,0,1,1,0,0|1,0,1]=4 1006 B9R1.116 CCN(C(=O)C)C1CC1 1626a_100000738653_100015343762 [0,0,1,1,0,0|1,0,1]=4 1007 B9R1.116 CCN(C(=O)C)C1CC1 240690a_100000738653_100015343762 [0,0,1,1,0,0|1,0,1]=4 1008 B9R1.116 CCN(C(=O)C)C1CC1 527a_100000738653_100103153847 [0,0,1,1,0,0|1,0,1]=4 1009 B9R1.168 CC(=O)C1(CC1)C(=O)C 1458a_100000070787_100000086384 [0,0,1,1,0,0|1,0,0]=3 1010 B9R1.168 CC(=O)C1(CC1)C(=O)N 1458a_100000070787_100010760883 [0,0,1,1,0,0|2,0,0]=4 1011 B9R1.168 CC(=O)C1(CC1)C(=O)N 1458a_100000751805_200000210301 [0,0,1,1,0,0|2,0,0]=4 1012 B9R1.168 [13CH3]C(=O)C1(CC1)C(=O)N 1458a_100000751805_200025704644 [0,0,1,1,0,0|2,0,0]=4 1013 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,0,1,1,0,0|2,0,0]=4 1014 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,0,1,1,0,0|1,0,1]=4 1015 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,0,1,1,0,0|1,0,1]=4 1016 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,0,1,1,0,0|1,0,1]=4 1017 B9R1.11 CCC(=O)N1CCSC1 11a_100011215254_100000210414 [0,0,1,1,0,0|0,1,1]=4 1018 B9R1.11 CCC(=O)N1CCSC1 240690a_100011215254_100000210414 [0,0,1,1,0,0|0,1,1]=4 1019 B9R1.11 CCC(=O)N1CCSC1 527a_100011215254_100000210414 [0,0,1,1,0,0|0,1,1]=4 1020 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,0,1,1,0,0|1,0,0]=3 1021 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,0,1,1,0,0|1,0,1]=4 1022 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,0,1,1,0,0|1,0,1]=4 1023 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,0,1,1,0,0|1,0,1]=4 1024 B9R1.81 O=C(CO)C1CCC1=O 1458a_100000210174_100009892977 [0,0,1,1,0,0|2,0,0]=4 1025 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [1,0,0,0,1,0|1,0,1]=4 1026 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [1,0,0,0,1,0|1,0,1]=4 1027 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,0,1,0|2,0,0]=4 1028 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,0,1,0|2,0,0]=4 1029 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,0,1,0|2,0,0]=4 1030 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,0,1,0|2,0,0]=4 1031 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,0,1,0|2,0,0]=4 1032 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,0,1,0|2,0,0]=4 1033 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,0,1,0|2,0,0]=4 1034 B9R0.39 C=C(C)CN(CC)C(=O)C 11a_100000211296_100015343762 [0,0,1,0,0,1|1,0,0]=3 1035 B9R0.39 C=C(C)CN(CC)C(=O)C 1626a_100000211296_100015343762 [0,0,1,0,0,1|1,0,0]=3 1036 B9R0.39 C=C(C)CN(CC)C(=O)C 527a_100000211296_100103153847 [0,0,1,0,0,1|1,0,0]=3 1037 B9R0.39 CC(=O)NC(CO)C(=O)C 1458a_200011194110_200000210301 [0,0,1,0,0,1|2,0,0]=4 1038 B9R0.39 CC(=O)NC(CO)C(=O)[13CH3] 1458a_200011194110_200025704644 [0,0,1,0,0,1|2,0,0]=4 1039 B9R0.39 CCC(NC(=O)C)C(=O)C 1458a_100000195128_200000210301 [0,0,1,0,0,1|1,0,0]=3 1040 B9R0.39 CCC(NC(=O)C)C(=O)N 11a_100000733705_100015343762 [0,0,1,0,0,1|2,0,0]=4 1041 B9R0.39 CCC(NC(=O)C)C(=O)N 1626a_100000733705_100015343762 [0,0,1,0,0,1|2,0,0]=4 1042 B9R0.39 CCC(NC(=O)C)C(=O)N 240690a_100000733705_100015343762 [0,0,1,0,0,1|2,0,0]=4 1043 B9R0.39 CCC(NC(=O)C)C(=O)N 527a_100000733705_100103153847 [0,0,1,0,0,1|2,0,0]=4 1044 B9R0.39 CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000195128_200025704644 [0,0,1,0,0,1|1,0,0]=3 1045 B9R0.39 CCC(NC(=O)N)C(=O)C 1458a_100000203762_200000210301 [0,0,1,0,0,1|2,0,0]=4 1046 B9R0.39 CCC(NC(=O)N)C(=O)[13CH3] 1458a_100000203762_200025704644 [0,0,1,0,0,1|2,0,0]=4 1047 B9R0.39 CCN(CC(C)C)C(=O)C 11a_100000738554_100015343762 [0,0,1,0,0,1|1,0,1]=4 1048 B9R0.39 CCN(CC(C)C)C(=O)C 1626a_100000738554_100015343762 [0,0,1,0,0,1|1,0,1]=4 1049 B9R0.39 CCN(CC(C)C)C(=O)C 240690a_100000738554_100015343762 [0,0,1,0,0,1|1,0,1]=4 1050 B9R0.39 CCN(CC(C)C)C(=O)C 527a_100000738554_100103153847 [0,0,1,0,0,1|1,0,1]=4 1051 B9R0.39 CCN(C[C@H](C)O)C(=O)C 240690a_100000729506_100015343762 [0,0,1,0,0,1|0,0,2]=4 1052 B9R0.39 CCN(C[C@H](C)O)C(=O)C 527a_100000729506_100103153847 [0,0,1,0,0,1|0,0,2]=4 1053 B9R0.26 CCC(=O)CN(CC)CC 1458a_100000758533_100000210202 [0,0,1,0,0,1|1,0,1]=4 1054 B9R0.26 CCC(=O)CN(CC)CC 269956a_100000042499_100000747405 [0,0,1,0,0,1|1,0,1]=4 1055 B9R0.26 CCC(=O)CN(CC)CC 269982a_100000724800_100000747405 [0,0,1,0,0,1|1,0,1]=4